data_5z4b_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5z4b _Structure_validation_residue.Date_analyzed 2019-01-18 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 ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.82 -174.65 45.82 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -102.14 139.67 37.44 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -131.64 131.0 42.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.788 1.235 . . . . 0.0 109.979 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -100.93 128.06 47.13 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.401 1.455 . . . . 0.0 110.975 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.92 115.11 21.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.481 1.912 . . . . 0.0 113.7 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.07 131.33 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 128.079 2.552 . . . . 0.0 111.007 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.36 140.4 48.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.833 2.053 . . . . 0.0 109.112 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.79 73.84 1.49 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 113.403 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.34 169.21 51.85 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.81 -46.31 74.49 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.345 -1.091 . . . . 0.0 110.273 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -122.09 14.82 10.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.21 1.404 . . . . 0.0 112.492 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.2 146.89 51.02 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.37 1.441 . . . . 0.0 110.761 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -143.08 162.99 34.07 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.108 1.363 . . . . 0.0 110.11 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.27 151.86 7.5 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 126.044 1.783 . . . . 0.0 109.899 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.31 138.55 26.45 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.27 17.6 m -145.32 163.72 33.67 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.122 -0.986 . . . . 0.0 110.5 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 140.38 40.17 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 p -137.65 164.0 29.88 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.713 1.205 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.56 146.72 50.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.38 29.61 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.554 0.616 . . . . 0.0 110.32 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.5 -45.9 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.747 1.219 . . . . 0.0 109.336 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.57 157.62 45.2 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -18.98 65.68 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -46.14 77.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 120.819 1.645 . . . . 0.0 111.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 m -65.17 -32.97 74.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.092 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -50.35 69.04 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.26 -40.36 93.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.64 0.654 . . . . 0.0 110.452 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -61.71 -52.59 63.66 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.29 0.636 . . . . 0.0 110.319 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -33.58 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-O 116.547 -1.692 . . . . 0.0 110.01 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -56.41 -44.39 80.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 120.904 1.684 . . . . 0.0 113.045 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.21 -49.97 67.69 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 120.286 1.403 . . . . 0.0 110.661 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -49.13 72.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.769 0.713 . . . . 0.0 111.936 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.24 -54.8 30.82 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 124.815 1.246 . . . . 0.0 111.314 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.02 69.12 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.803 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.86 -29.95 67.35 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.15 -15.68 63.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.619 0.768 . . . . 0.0 110.459 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -92.18 14.8 15.09 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.839 2.456 . . . . 0.0 109.959 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.2 39.88 95.09 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 127.506 2.479 . . . . 0.0 115.469 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -95.39 139.04 19.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 119.195 3.035 . . . . 0.0 119.195 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.59 101.26 4.05 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 100.573 -3.862 . . . . 0.0 100.573 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.88 -168.86 34.74 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 121.876 2.126 . . . . 0.0 114.934 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -104.94 149.49 25.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.193 1.797 . . . . 0.0 111.45 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -110.85 132.18 54.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.533 1.933 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 p -116.56 163.91 15.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.159 2.184 . . . . 0.0 107.726 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -139.78 140.56 36.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.11 96.94 4.61 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.934 2.493 . . . . 0.0 106.224 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.24 -22.73 63.39 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.65 77.51 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.35 -0.844 . . . . 0.0 113.201 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.87 13.48 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 127.39 2.276 . . . . 0.0 110.612 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 mttt 46.05 42.52 9.67 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.398 3.079 . . . . 0.0 107.951 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -79.59 116.02 19.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.109 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -105.04 110.79 23.32 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.302 -3.221 . . . . 0.0 102.302 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 m -109.7 142.61 40.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.363 1.065 . . . . 0.0 108.827 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -129.02 137.02 58.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 m -127.85 117.5 21.94 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.774 1.23 . . . . 0.0 107.812 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 116.718 -1.61 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.8 175.46 40.75 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 121.826 2.103 . . . . 0.0 112.496 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -92.79 144.41 25.32 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -138.12 135.02 35.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -100.81 137.8 38.71 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 109.599 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -121.28 109.42 14.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 114.549 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -123.51 129.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 126.166 1.786 . . . . 0.0 109.337 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.6 138.94 52.23 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.822 2.049 . . . . 0.0 107.271 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.52 118.94 25.93 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.393 1.077 . . . . 0.0 109.441 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.69 170.47 13.28 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.987 1.756 . . . . 0.0 109.482 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -55.66 -50.5 70.07 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.203 -0.586 . . . . 0.0 111.466 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -123.69 3.51 8.9 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mp -127.88 152.24 48.09 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.791 1.178 . . . . 0.0 109.813 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -142.83 164.94 28.72 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.121 0.968 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.93 128.98 1.99 Allowed Glycine 0 C--O 1.226 -0.345 0 N-CA-C 107.213 -2.355 . . . . 0.0 107.213 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -135.6 126.71 27.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.243 1.521 . . . . 0.0 107.777 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -151.38 -178.3 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 110.745 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -130.34 157.54 42.27 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.192 1.797 . . . . 0.0 106.212 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 p -149.68 159.29 44.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.508 1.123 . . . . 0.0 109.046 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -130.18 148.9 52.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.68 144.44 35.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.573 -0.704 . . . . 0.0 110.297 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -65.58 -39.47 85.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.93 157.65 45.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.716 2.406 . . . . 0.0 106.314 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -19.42 62.07 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.31 70.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.224 0.92 . . . . 0.0 112.541 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -27.7 67.98 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.988 0.813 . . . . 0.0 112.671 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -40.93 80.28 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.45 -30.93 67.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.566 0.747 . . . . 0.0 111.289 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -73.82 -49.03 27.13 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.472 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.44 -34.86 59.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 123.567 0.747 . . . . 0.0 109.788 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -53.7 -44.53 69.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 119.184 0.902 . . . . 0.0 110.957 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -74.65 -48.03 28.58 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.17 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.56 -51.64 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.39 -48.13 43.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.793 -0.567 . . . . 0.0 110.775 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.33 73.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.648 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.65 -29.26 69.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.745 1.157 . . . . 0.0 111.095 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.36 -25.09 67.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.509 0.724 . . . . 0.0 109.905 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -84.45 -4.69 59.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.479 1.511 . . . . 0.0 110.871 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.54 94.13 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 119.702 1.137 . . . . 0.0 111.403 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.01 142.94 13.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -139.06 90.87 2.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 126.545 1.938 . . . . 0.0 105.917 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.82 -172.26 36.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 121.552 1.978 . . . . 0.0 115.793 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.23 149.0 21.64 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 129.243 3.017 . . . . 0.0 110.726 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -111.26 131.16 55.36 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.006 0.922 . . . . 0.0 113.416 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -130.39 156.29 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -139.87 146.76 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -129.7 121.14 26.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.581 1.552 . . . . 0.0 109.744 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.89 -14.79 62.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.04 70.2 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.687 1.13 . . . . 0.0 112.062 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -1.83 6.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.919 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mttm 67.78 35.02 4.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 130.071 3.348 . . . . 0.0 104.863 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -77.27 145.7 37.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.588 2.355 . . . . 0.0 111.591 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -121.53 131.52 54.19 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 129.198 2.999 . . . . 0.0 102.965 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 p -126.55 135.99 51.99 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.899 1.68 . . . . 0.0 110.95 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.21 132.25 65.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 125.686 1.595 . . . . 0.0 107.481 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -127.87 104.67 7.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.381 0.672 . . . . 0.0 109.379 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.243 0.718 0 C-N-CA 125.659 1.584 . . . . 0.0 107.687 178.368 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.84 179.41 47.24 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 120.009 -1.091 . . . . 0.0 114.131 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -70.3 145.64 51.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.774 2.03 . . . . 0.0 109.793 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -138.4 126.49 22.74 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.667 -2.346 . . . . 0.0 104.667 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -102.26 126.6 49.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.34 115.32 23.32 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.191 1.397 . . . . 0.0 113.168 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -122.58 132.58 70.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 127.936 2.494 . . . . 0.0 109.247 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.21 132.06 56.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.184 2.194 . . . . 0.0 105.25 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.25 71.81 1.28 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.816 1.246 . . . . 0.0 110.177 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.54 174.19 50.78 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.36 -48.8 74.13 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 121.431 -1.041 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -121.7 4.0 10.07 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -128.11 141.64 51.43 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.671 1.188 . . . . 0.0 108.126 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -143.17 150.8 39.9 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.32 148.03 11.68 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -147.14 146.26 29.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.388 1.094 . . . . 0.0 110.347 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -156.76 171.93 19.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 111.095 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -141.57 151.65 43.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 128.148 2.579 . . . . 0.0 105.026 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -166.77 166.95 15.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.4 127.26 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.3 145.4 44.01 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 122.195 0.998 . . . . 0.0 112.061 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.78 -31.97 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -154.09 159.34 41.46 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.875 0.761 . . . . 0.0 110.218 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.3 75.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.668 0.787 . . . . 0.0 109.607 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.03 74.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 110.342 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -70.2 -43.76 70.06 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.05 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.991 0.916 . . . . 0.0 108.804 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.67 -34.59 59.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.732 2.013 . . . . 0.0 111.642 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -72.91 -47.97 41.16 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.888 -0.508 . . . . 0.0 111.017 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.47 -32.47 57.87 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.019 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -55.15 -44.03 74.78 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.28 0.945 . . . . 0.0 110.743 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -66.05 -49.87 66.14 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.571 1.078 . . . . 0.0 112.247 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -50.61 55.33 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.49 -0.766 . . . . 0.0 112.988 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.82 -41.17 97.44 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 119.201 0.909 . . . . 0.0 111.116 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.79 66.53 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.702 -0.624 . . . . 0.0 109.746 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.6 -33.96 76.04 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.292 0.951 . . . . 0.0 110.989 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.81 -24.75 67.65 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.12 0.968 . . . . 0.0 109.571 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -83.49 0.59 45.7 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.693 1.997 . . . . 0.0 109.883 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.25 36.06 92.35 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.753 1.644 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.94 141.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -139.44 65.42 1.44 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.68 -173.3 15.08 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 114.849 0.7 . . . . 0.0 114.849 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -99.93 150.41 22.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 129.49 3.116 . . . . 0.0 111.031 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -109.7 129.64 55.59 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 p -119.44 164.72 15.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.157 1.783 . . . . 0.0 107.373 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.34 143.32 39.85 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.54 97.62 4.76 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 128.656 2.782 . . . . 0.0 106.918 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.76 -10.86 40.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.85 -39.64 74.65 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.26 1.024 . . . . 0.0 111.08 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.2 -10.46 5.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 110.027 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.284 48.0 mttm 81.76 36.86 0.07 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 130.77 3.628 . . . . 0.0 107.714 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -75.43 116.04 15.73 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 129.258 3.023 . . . . 0.0 110.878 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.43 125.56 50.74 Favored 'General case' 0 N--CA 1.446 -0.666 1 N-CA-C 99.633 -4.21 . . . . 0.0 99.633 175.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -126.23 138.55 53.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.78 131.37 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 125.597 1.559 . . . . 0.0 109.664 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -128.28 122.7 32.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.246 0.889 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 178.428 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.28 177.48 48.29 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 120.059 1.299 . . . . 0.0 112.37 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 10.1 t -89.96 144.84 25.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.83 132.08 43.4 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -101.13 133.93 44.92 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.2 109.38 15.35 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 126.26 1.824 . . . . 0.0 112.643 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tt -123.37 131.53 72.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 127.507 2.323 . . . . 0.0 109.186 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.39 133.08 56.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.469 1.908 . . . . 0.0 108.653 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -123.49 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.513 1.525 . . . . 0.0 107.562 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.02 176.05 29.11 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.566 1.079 . . . . 0.0 110.537 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.63 -49.13 76.41 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.961 0.904 . . . . 0.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.9 1.21 9.29 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.83 1.252 . . . . 0.0 113.787 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 mt -128.44 134.0 48.66 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.615 1.166 . . . . 0.0 110.472 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -142.03 134.32 27.83 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.74 157.22 29.18 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.42 158.72 44.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.537 0.669 . . . . 0.0 111.518 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -155.04 172.04 18.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -144.37 142.7 30.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -155.07 167.44 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 25.4 tt0 -116.34 143.81 45.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 109.115 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.93 144.4 43.42 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.918 0.887 . . . . 0.0 112.275 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.72 -31.1 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.752 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -150.08 157.96 43.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -22.9 58.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.921 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.91 71.09 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.799 1.636 . . . . 0.0 109.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.8 m -70.65 -41.09 72.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.8 73.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.28 1.032 . . . . 0.0 108.868 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.67 -41.02 66.43 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.015 1.326 . . . . 0.0 110.23 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -67.65 -48.28 67.12 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 111.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.71 -33.75 65.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -56.18 -43.92 78.89 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.7 1.136 . . . . 0.0 111.215 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -65.62 -49.97 66.78 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.6 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -51.57 61.48 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.602 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -57.17 -53.34 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.297 1.039 . . . . 0.0 112.966 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.91 89.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.297 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.16 -33.52 75.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.213 0.915 . . . . 0.0 111.768 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.715 1.206 . . . . 0.0 109.777 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.75 -0.98 57.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.368 2.667 . . . . 0.0 110.001 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.94 35.65 79.64 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.204 1.859 . . . . 0.0 115.377 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.56 144.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -138.73 84.39 2.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.18 -177.85 38.53 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.291 1.405 . . . . 0.0 115.845 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -96.53 147.99 23.29 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.494 3.118 . . . . 0.0 111.118 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -112.26 132.67 54.81 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 118.209 2.67 . . . . 0.0 118.209 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 p -121.68 160.94 23.42 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.047 2.539 . . . . 0.0 106.97 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -139.25 144.48 38.44 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.449 1.022 . . . . 0.0 112.455 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.35 106.9 9.33 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.52 -12.45 15.28 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -47.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.155 1.382 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.361 0.5 OUTLIER -127.55 6.43 6.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.934 0.894 . . . . 0.0 110.402 178.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 63.4 mttm 64.27 32.71 12.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 131.119 3.768 . . . . 0.0 109.011 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -73.4 124.58 26.05 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 129.362 3.065 . . . . 0.0 112.52 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -107.62 111.12 23.19 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -105.61 135.16 47.53 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.48 132.65 66.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 125.535 1.534 . . . . 0.0 107.164 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 m -128.46 104.5 7.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.598 1.559 . . . . 0.0 108.221 178.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 117.8 -1.095 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.21 -169.96 12.04 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 119.421 1.009 . . . . 0.0 113.055 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -115.42 142.37 46.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.778 1.631 . . . . 0.0 109.891 168.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.22 119.3 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.336 1.054 . . . . 0.0 111.77 -169.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -83.29 152.54 25.09 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -143.56 138.87 29.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.976 1.31 . . . . 0.0 109.764 -177.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tt -149.92 120.71 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.348 1.459 . . . . 0.0 109.608 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.87 164.44 16.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 0.0 109.622 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -126.44 122.13 34.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.307 1.443 . . . . 0.0 110.276 162.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.66 156.0 23.95 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.092 0.853 . . . . 0.0 113.032 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -45.91 -63.79 0.89 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 p -98.05 -34.61 10.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.736 1.615 . . . . 0.0 110.022 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -125.72 141.41 52.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.892 1.277 . . . . 0.0 109.668 -160.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -127.49 -179.34 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 154.35 10.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.015 0.817 . . . . 0.0 112.935 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.93 154.35 49.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.866 1.667 . . . . 0.0 108.643 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -168.05 175.03 6.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.601 1.56 . . . . 0.0 109.825 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -131.68 164.24 26.37 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.912 1.685 . . . . 0.0 109.951 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 p -135.04 162.69 31.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 109.899 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -134.86 120.57 19.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.956 1.702 . . . . 0.0 108.69 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.29 147.77 42.27 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.218 1.407 . . . . 0.0 110.661 -162.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 m -84.89 -24.07 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.842 1.657 . . . . 0.0 108.952 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.51 162.02 39.22 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.593 1.957 . . . . 0.0 109.534 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.57 59.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.302 1.441 . . . . 0.0 110.717 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.12 -32.84 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.148 1.379 . . . . 0.0 110.659 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -61.46 -52.1 65.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.664 1.586 . . . . 0.0 109.895 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.2 66.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.223 1.409 . . . . 0.0 110.601 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -51.62 -40.91 60.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.884 1.673 . . . . 0.0 108.767 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -69.97 -46.69 64.7 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.92 -50.55 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.092 1.757 . . . . 0.0 108.967 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -42.5 -51.5 5.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.763 1.225 . . . . 0.0 110.859 -172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -68.59 -35.1 76.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.81 -42.95 18.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.404 1.082 . . . . 0.0 108.864 -175.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' A' ' 6' ' ' LEU . 45.8 t80 -56.17 -63.71 1.1 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.261 1.024 . . . . 0.0 111.792 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.32 61.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.091 1.356 . . . . 0.0 110.739 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.44 -22.03 66.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 110.201 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -74.52 -25.43 59.34 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.536 1.935 . . . . 0.0 109.619 170.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -93.2 -12.09 31.09 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.34 1.456 . . . . 0.0 110.246 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.76 76.36 0.6 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.051 0.834 . . . . 0.0 113.026 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.85 144.05 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.887 1.675 . . . . 0.0 108.992 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -148.17 46.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.644 1.977 . . . . 0.0 109.543 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 -136.31 6.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.103 0.858 . . . . 0.0 113.019 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -146.55 151.82 37.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.945 1.698 . . . . 0.0 108.784 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -120.22 131.93 55.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.438 1.095 . . . . 0.0 111.672 -160.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -129.12 131.35 47.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 109.859 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.8 138.35 42.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.224 1.01 . . . . 0.0 111.721 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -135.09 124.62 25.01 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.675 1.99 . . . . 0.0 109.611 171.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.94 -11.42 59.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.595 1.958 . . . . 0.0 109.566 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.6 -53.48 23.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.155 1.382 . . . . 0.0 110.547 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -123.6 27.91 7.19 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.784 1.634 . . . . 0.0 109.924 163.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 49.83 43.45 24.89 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 t -91.13 145.72 24.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.606 1.562 . . . . 0.0 109.986 -170.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -112.99 117.61 32.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.743 1.217 . . . . 0.0 110.819 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -105.13 128.25 53.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.738 1.615 . . . . 0.0 109.889 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -108.59 132.01 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.791 1.636 . . . . 0.0 108.914 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.3 m -120.96 118.03 28.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.67 1.588 . . . . 0.0 109.947 168.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.257 1.453 0 C-N-CA 128.723 2.809 . . . . 0.0 108.772 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttm . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.59 -175.54 38.17 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.031 -1.628 . . . . 0.0 109.031 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -109.87 143.49 39.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.73 160.4 38.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.977 0.911 . . . . 0.0 110.807 -177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -124.83 125.74 44.48 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.566 0.346 . . . . 0.0 110.465 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -120.68 109.49 15.27 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 119.977 -1.702 . . . . 0.0 110.967 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.64 132.1 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 127.333 2.253 . . . . 0.0 111.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.91 129.45 55.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.304 2.242 . . . . 0.0 108.289 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -119.79 87.74 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.94 178.41 51.11 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 125.039 1.304 . . . . 0.0 111.64 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.18 -50.07 73.98 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.541 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 t -124.14 -17.68 6.12 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.087 0.955 . . . . 0.0 112.897 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 tp -108.0 128.08 54.34 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.665 1.186 . . . . 0.0 114.138 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -114.89 157.92 22.68 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.87 137.59 4.64 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.84 128.06 15.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.379 1.072 . . . . 0.0 108.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -134.52 168.12 19.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.513 0.673 . . . . 0.0 110.12 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.0 t -145.52 141.19 28.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -148.87 162.03 40.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.758 0.423 . . . . 0.0 110.596 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -120.99 133.17 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 127.511 2.325 . . . . 0.0 105.493 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 156.15 46.66 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.776 0.798 . . . . 0.0 110.44 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.88 -44.46 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.137 1.375 . . . . 0.0 111.888 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -142.08 160.31 40.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 109.493 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.16 72.08 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.504 0.722 . . . . 0.0 111.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.85 73.8 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.545 1.066 . . . . 0.0 111.023 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.5 m -68.64 -34.29 75.48 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.933 -1.105 . . . . 0.0 109.611 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.66 57.84 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.307 1.043 . . . . 0.0 110.766 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.67 -32.53 73.61 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.671 1.588 . . . . 0.0 111.05 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.8 -52.66 34.47 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 120.552 -1.342 . . . . 0.0 109.608 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.9 -31.93 55.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.028 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 120.41 1.459 . . . . 0.0 109.168 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -77.84 -50.02 13.11 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 118.855 0.752 . . . . 0.0 110.511 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.58 -51.49 69.27 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -66.78 -50.85 61.37 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 119.674 1.124 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.2 94.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.015 -0.428 . . . . 0.0 111.803 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.39 -39.83 92.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 118.618 0.645 . . . . 0.0 110.642 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.68 -27.01 68.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.873 0.869 . . . . 0.0 110.33 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -83.78 3.46 33.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.442 2.297 . . . . 0.0 111.072 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.14 39.91 88.28 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 125.496 1.522 . . . . 0.0 115.997 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.02 131.44 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -139.62 65.48 1.43 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.74 -177.84 25.89 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 121.606 0.559 . . . . 0.0 113.102 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.58 149.65 26.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.381 2.272 . . . . 0.0 109.615 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -110.97 150.61 29.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.374 1.07 . . . . 0.0 111.618 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -140.09 159.2 42.72 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.965 2.106 . . . . 0.0 106.409 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.79 145.73 50.05 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.67 101.25 5.82 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.432 2.293 . . . . 0.0 108.142 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.7 -11.03 22.49 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.17 -52.16 64.21 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 120.07 1.305 . . . . 0.0 111.386 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -127.22 13.18 7.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.197 0.999 . . . . 0.0 109.036 177.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.286 31.3 mttm 61.85 48.54 5.32 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 129.697 3.199 . . . . 0.0 107.629 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 m -75.51 136.73 40.61 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -121.77 120.05 33.49 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 m -118.25 138.98 51.98 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.3 t -129.53 136.33 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.95 112.76 15.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.146 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.19 40.74 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 119.821 1.191 . . . . 0.0 111.43 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -97.0 143.8 27.51 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -130.08 128.26 41.53 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.308 1.043 . . . . 0.0 109.652 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -101.9 128.61 48.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.3 109.46 14.95 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.4 -1.438 . . . . 0.0 111.806 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.75 130.81 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.681 2.393 . . . . 0.0 111.615 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.63 140.72 50.16 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 127.261 2.225 . . . . 0.0 111.564 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -117.42 118.02 31.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.75 -160.92 33.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.95 -52.11 39.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.688 1.244 . . . . 0.0 107.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 t -124.3 -23.96 4.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.375 1.07 . . . . 0.0 113.058 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -99.5 130.11 45.73 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.739 1.216 . . . . 0.0 112.54 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.1 145.5 39.65 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.102 1.761 . . . . 0.0 110.149 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.97 154.76 25.73 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 123.749 0.69 . . . . 0.0 111.883 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.61 150.65 27.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 117.945 0.872 . . . . 0.0 112.084 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -147.95 170.94 16.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.054 0.454 . . . . 0.0 110.078 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -143.16 160.29 40.71 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.779 2.032 . . . . 0.0 107.056 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -166.68 166.39 15.98 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.35 1.06 . . . . 0.0 108.169 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -128.08 122.56 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 147.66 44.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.99 0.9 . . . . 0.0 111.423 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 m -71.22 -38.4 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -140.69 158.68 43.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.713 2.005 . . . . 0.0 109.214 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -19.03 59.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.0 63.12 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 121.389 1.904 . . . . 0.0 112.146 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -28.91 70.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.648 -0.657 . . . . 0.0 110.856 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.56 61.99 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.904 1.282 . . . . 0.0 109.401 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.81 -32.97 74.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 108.416 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -72.43 -51.22 21.26 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.313 1.445 . . . . 0.0 109.786 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -32.02 52.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 123.713 0.805 . . . . 0.0 111.437 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.75 -44.77 73.92 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.594 0.758 . . . . 0.0 109.108 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.19 -49.33 14.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.562 0.619 . . . . 0.0 112.128 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.93 -52.35 65.86 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.81 -44.29 66.87 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.262 1.392 . . . . 0.0 111.683 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.68 93.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.403 0.681 . . . . 0.0 110.247 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -70.56 -29.47 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.316 -1.49 . . . . 0.0 111.225 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.37 -18.97 63.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.14 -5.05 56.9 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 129.39 3.076 . . . . 0.0 108.215 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.35 39.87 97.35 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 127.395 2.426 . . . . 0.0 115.016 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -92.3 138.92 18.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.14 65.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.84 -174.46 13.46 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.9 1.238 . . . . 0.0 113.262 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.04 149.98 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.861 2.464 . . . . 0.0 110.02 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -110.6 150.84 28.39 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.101 0.96 . . . . 0.0 113.107 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 p -137.03 155.06 50.16 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 127.507 2.323 . . . . 0.0 105.683 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -139.8 142.45 36.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.47 105.85 8.37 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.043 1.737 . . . . 0.0 107.241 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.86 -11.08 24.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.81 72.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.082 1.353 . . . . 0.0 110.41 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -126.78 9.45 6.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.239 1.416 . . . . 0.0 109.081 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mttm 57.21 40.71 27.82 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 130.116 3.367 . . . . 0.0 108.207 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 m -82.38 115.64 21.51 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.814 1.246 . . . . 0.0 111.058 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -97.01 130.0 44.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 102.016 -3.327 . . . . 0.0 102.016 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -126.48 142.38 51.56 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.224 0.61 . . . . 0.0 109.802 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.55 139.11 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 126.352 1.861 . . . . 0.0 109.007 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -122.96 104.03 8.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.108 1.363 . . . . 0.0 108.335 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.381 1.472 . . . . 0.0 107.919 178.698 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.468 0.436 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.39 179.7 42.36 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -104.61 138.11 41.44 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.38 133.23 34.59 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.811 0.844 . . . . 0.0 109.145 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -101.77 134.04 45.56 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 111.089 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.09 112.93 18.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.31 131.71 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.46 2.304 . . . . 0.0 108.886 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.25 123.32 43.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.206 1.802 . . . . 0.0 108.434 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.409 ' OD1' ' HE2' ' A' ' 14' ' ' LYS . 68.9 m-80 -97.08 145.9 25.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.98 171.5 22.72 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -57.79 -50.45 73.23 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 122.392 -0.475 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -124.04 4.76 8.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.612 1.565 . . . . 0.0 112.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -126.24 143.54 51.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.173 1.351 . . . . 0.0 111.715 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 9' ' ' ASN . 83.5 mttt -142.63 149.38 38.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.544 1.538 . . . . 0.0 108.927 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.98 147.49 14.66 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 107.959 -2.057 . . . . 0.0 107.959 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.24 116.08 6.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.617 1.208 . . . . 0.0 109.151 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -125.13 174.04 8.33 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.592 0.357 . . . . 0.0 111.07 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -147.12 158.52 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -159.72 163.96 34.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -129.38 137.69 51.09 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.199 -3.26 . . . . 0.0 102.199 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.34 152.81 47.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 119.606 1.094 . . . . 0.0 111.09 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -53.56 -46.01 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.585 1.554 . . . . 0.0 110.609 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.92 158.69 43.66 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.0 1.32 . . . . 0.0 108.221 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -19.48 65.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.748 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.79 83.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.593 1.542 . . . . 0.0 109.151 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -61.54 -39.56 91.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.776 0.83 . . . . 0.0 109.824 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.0 -42.25 99.8 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.99 1.268 . . . . 0.0 108.902 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.15 -52.75 53.25 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.507 0.323 . . . . 0.0 110.483 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -33.7 59.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.565 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -41.56 77.95 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.442 1.019 . . . . 0.0 110.123 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -75.53 -50.05 16.83 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.278 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -52.12 50.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.93 -47.04 86.45 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.281 0.946 . . . . 0.0 112.344 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -49.06 37.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.0 -33.72 76.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.698 1.136 . . . . 0.0 111.859 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.68 -16.7 63.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.332 1.053 . . . . 0.0 110.282 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -86.58 -5.4 59.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.986 2.114 . . . . 0.0 108.837 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.93 40.7 16.28 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-O 117.839 -1.534 . . . . 0.0 114.663 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.66 136.31 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -139.69 65.64 1.42 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.249 1.82 . . . . 0.0 107.82 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.97 -164.3 10.24 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.687 1.137 . . . . 0.0 114.158 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -98.07 146.06 25.92 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.601 1.16 . . . . 0.0 111.785 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -112.09 143.62 42.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.547 1.539 . . . . 0.0 114.706 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -125.73 166.38 16.89 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.647 1.979 . . . . 0.0 108.078 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -135.09 136.23 41.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.89 101.0 6.14 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.287 2.635 . . . . 0.0 106.439 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.37 -14.4 18.46 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.35 76.58 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.732 1.605 . . . . 0.0 112.548 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 13.39 7.1 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.889 1.275 . . . . 0.0 108.338 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 54.78 47.02 23.34 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.603 2.361 . . . . 0.0 105.669 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -76.77 115.31 16.43 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 131.628 3.971 . . . . 0.0 111.64 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.63 134.88 47.05 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -128.77 142.46 50.98 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.48 138.6 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 125.432 1.493 . . . . 0.0 109.991 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.4 m -113.54 103.56 11.39 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.831 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 119.512 -0.28 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.57 -179.59 46.67 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -95.12 143.28 26.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -131.47 140.69 49.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.696 -1.965 . . . . 0.0 105.696 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.34 133.46 47.23 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.112 0.869 . . . . 0.0 109.79 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -121.64 108.86 14.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.338 -1.476 . . . . 0.0 109.856 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 129.139 2.976 . . . . 0.0 112.056 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.92 140.27 49.95 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.686 1.995 . . . . 0.0 108.927 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -126.17 104.18 8.1 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.674 -2.713 . . . . 0.0 103.674 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.96 -175.92 34.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -62.37 -50.47 71.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -123.38 -21.5 5.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.726 1.61 . . . . 0.0 111.385 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.14 143.23 28.13 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.822 1.249 . . . . 0.0 111.165 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -143.12 145.18 32.61 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.27 152.8 19.94 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.03 145.52 25.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.618 0.767 . . . . 0.0 109.609 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 -179.89 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.47 150.81 35.29 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -141.97 121.51 13.3 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.43 111.58 22.52 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -179.67 4.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.532 1.133 . . . . 0.0 110.261 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.53 -44.92 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 123.715 0.806 . . . . 0.0 110.434 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.11 164.92 31.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.77 1.628 . . . . 0.0 108.136 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.03 69.79 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.482 0.713 . . . . 0.0 112.916 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.55 68.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.964 1.256 . . . . 0.0 111.227 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 m -70.36 -36.19 74.01 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 121.202 -0.936 . . . . 0.0 109.135 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.93 66.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.631 0.773 . . . . 0.0 109.978 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.49 -31.15 70.2 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.471 1.109 . . . . 0.0 110.986 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.62 -53.1 53.02 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.407 1.083 . . . . 0.0 109.659 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.37 -30.67 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 125.057 1.343 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -53.81 -44.14 69.94 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.971 0.908 . . . . 0.0 109.275 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -77.58 -50.04 13.37 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.69 -0.671 . . . . 0.0 112.122 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.97 -52.6 62.38 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -63.17 -50.23 71.18 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 120.603 1.547 . . . . 0.0 112.021 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.33 70.46 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.51 -35.83 74.93 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.198 0.908 . . . . 0.0 112.491 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.4 -26.79 63.86 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.786 1.634 . . . . 0.0 110.513 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -83.72 12.35 6.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.737 2.415 . . . . 0.0 110.612 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.67 38.05 93.22 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 125.227 1.394 . . . . 0.0 114.932 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.39 140.75 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 118.546 1.173 . . . . 0.0 114.136 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.47 93.11 2.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.284 -2.487 . . . . 0.0 104.284 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.26 -177.77 48.46 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 121.686 2.039 . . . . 0.0 115.366 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.05 150.15 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 129.256 3.022 . . . . 0.0 110.574 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -111.35 144.09 41.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.258 1.023 . . . . 0.0 113.217 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -131.41 161.19 33.03 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 127.084 2.154 . . . . 0.0 105.905 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -139.93 146.43 39.18 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.94 97.01 4.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 127.218 2.207 . . . . 0.0 108.082 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.98 -18.74 63.58 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.24 70.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.056 0.942 . . . . 0.0 112.259 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -127.45 -3.34 6.13 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.829 1.652 . . . . 0.0 110.42 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.285 81.5 mttt 66.27 34.63 6.41 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 131.077 3.751 . . . . 0.0 108.02 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -85.11 115.43 22.91 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 126.273 1.829 . . . . 0.0 113.278 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -94.76 126.35 40.01 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 102.494 -3.151 . . . . 0.0 102.494 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.6 m -123.23 141.53 51.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.764 0.711 . . . . 0.0 110.206 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -129.97 138.84 53.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 127.025 2.13 . . . . 0.0 109.013 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -127.51 128.33 45.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.243 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.43 -174.98 45.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 115.96 31.19 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 42.0 m-85 -111.69 133.63 53.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.236 1.814 . . . . 0.0 108.545 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -102.0 134.27 45.49 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.779 0.718 . . . . 0.0 110.846 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.83 107.98 13.39 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.446 0.698 . . . . 0.0 111.673 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tt -124.48 131.99 71.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.679 1.992 . . . . 0.0 111.651 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -118.71 138.85 52.36 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.545 1.138 . . . . 0.0 108.105 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -126.14 91.01 3.29 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.51 0.595 . . . . 0.0 111.18 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.75 176.65 25.14 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.838 1.208 . . . . 0.0 111.859 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -55.22 -50.31 69.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.073 0.949 . . . . 0.0 110.941 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -123.4 -27.45 4.09 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.406 1.082 . . . . 0.0 111.058 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.71 113.84 22.9 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.661 1.584 . . . . 0.0 111.646 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -142.04 157.99 44.28 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.58 151.84 10.84 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.47 127.28 17.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.291 1.436 . . . . 0.0 108.146 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -141.17 179.69 6.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.419 -0.801 . . . . 0.0 111.532 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -130.28 140.59 50.66 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 126.186 1.795 . . . . 0.0 106.287 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -129.85 124.99 34.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 126.321 1.849 . . . . 0.0 112.127 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -128.73 133.87 48.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.81 -177.65 5.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.488 1.515 . . . . 0.0 107.417 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.5 -46.09 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 O-C-N 121.691 -0.631 . . . . 0.0 110.101 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -140.64 159.23 42.65 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.142 1.377 . . . . 0.0 108.989 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.59 -20.13 63.64 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.802 0.728 . . . . 0.0 111.26 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.23 85.69 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.79 -1.194 . . . . 0.0 109.793 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -66.26 -33.24 75.3 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.59 -28.96 56.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.762 2.025 . . . . 0.0 112.671 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.57 -32.79 59.15 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.327 0.967 . . . . 0.0 112.104 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.81 -52.51 36.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -32.96 59.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.017 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.92 -44.37 78.25 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.394 1.078 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -77.11 -49.11 15.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.387 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.31 -51.49 68.65 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.95 -41.95 75.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 119.91 1.232 . . . . 0.0 111.833 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.69 -49.21 32.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 121.928 -0.483 . . . . 0.0 110.85 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.76 -35.85 77.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 120.867 -1.145 . . . . 0.0 111.263 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.65 -23.85 63.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.088 1.755 . . . . 0.0 108.922 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -5.44 58.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.89 1.676 . . . . 0.0 107.85 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.31 31.73 56.65 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 125.683 1.611 . . . . 0.0 114.356 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -84.08 138.47 19.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.48 65.63 1.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.52 -175.0 16.22 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 113.14 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.6 148.69 22.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.843 1.257 . . . . 0.0 109.666 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -111.1 143.69 41.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.37 1.068 . . . . 0.0 113.134 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 p -129.31 170.01 14.15 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 127.084 2.154 . . . . 0.0 108.099 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -140.53 143.16 35.25 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.11 96.11 4.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.607 1.963 . . . . 0.0 106.164 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.78 -22.98 66.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.88 -33.94 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.965 1.257 . . . . 0.0 112.613 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -3.16 6.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.92 1.688 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.263 74.5 mttt 62.54 37.42 13.2 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 130.982 3.713 . . . . 0.0 109.26 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -80.71 116.2 20.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.566 1.946 . . . . 0.0 111.427 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -102.56 111.25 23.47 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 m -109.51 143.12 39.59 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.576 1.15 . . . . 0.0 111.043 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -120.29 138.82 49.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 126.316 1.846 . . . . 0.0 106.637 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 m -126.51 106.71 9.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.484 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 123.662 0.785 . . . . 0.0 109.827 178.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.73 -173.65 46.45 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -96.31 137.2 35.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.62 157.3 46.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.131 1.372 . . . . 0.0 109.237 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -122.02 136.93 54.96 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.245 0.475 . . . . 0.0 111.511 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.49 108.92 13.71 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.833 1.253 . . . . 0.0 109.359 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -122.46 132.67 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.717 2.807 . . . . 0.0 110.467 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.54 139.83 50.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 126.3 1.84 . . . . 0.0 110.53 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -126.55 83.62 2.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.707 1.203 . . . . 0.0 110.69 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.74 167.92 31.29 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -57.29 -49.95 74.47 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.666 -0.902 . . . . 0.0 112.411 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 6.0 t -123.58 10.72 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.084 0.554 . . . . 0.0 112.168 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -129.02 139.27 52.14 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.776 -1.202 . . . . 0.0 109.229 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -142.44 157.0 45.23 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.189 0.995 . . . . 0.0 109.769 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 148.58 10.0 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.69 116.81 6.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.516 1.158 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -130.87 177.02 7.74 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.092 -1.005 . . . . 0.0 111.212 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -138.77 151.41 47.06 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.094 1.357 . . . . 0.0 108.556 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 m -149.09 138.16 21.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.653 0.739 . . . . 0.0 109.474 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -118.42 124.14 46.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.63 165.02 28.54 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.743 0.782 . . . . 0.0 109.522 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 m -57.56 -40.05 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.009 1.324 . . . . 0.0 111.803 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -152.79 162.97 40.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.508 1.123 . . . . 0.0 110.669 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.44 80.33 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.58 78.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.679 0.792 . . . . 0.0 111.261 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -69.53 -35.14 75.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.898 0.879 . . . . 0.0 110.433 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.04 55.41 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.85 0.86 . . . . 0.0 112.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.8 -30.56 45.4 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.069 0.85 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.86 -49.35 70.88 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 121.046 -1.034 . . . . 0.0 109.448 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -33.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.851 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CZ ' ' CE3' ' A' ' 44' ' ' TRP . 1.2 t80 -56.32 -45.08 80.45 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.109 0.868 . . . . 0.0 109.267 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -77.25 -49.15 15.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.423 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -52.24 65.78 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.79 -49.51 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 119.333 0.969 . . . . 0.0 111.449 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -50.47 73.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 117.646 0.203 . . . . 0.0 111.389 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.61 -34.07 77.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.067 -1.021 . . . . 0.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.12 -23.09 63.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.768 0.827 . . . . 0.0 109.57 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -83.3 -4.91 58.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.503 1.921 . . . . 0.0 108.596 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.54 27.56 61.06 Favored Glycine 0 C--N 1.343 0.945 0 C-N-CA 126.519 2.009 . . . . 0.0 115.406 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.65 143.52 12.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -138.75 104.38 5.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.61 178.8 48.21 Favored Glycine 0 N--CA 1.468 0.832 0 CA-C-N 120.4 1.455 . . . . 0.0 112.649 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.03 149.41 21.84 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.49 1.916 . . . . 0.0 110.937 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' ' CZ ' ' A' ' 31' ' ' PHE . 26.4 m95 -111.01 142.79 42.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.76 1.224 . . . . 0.0 114.198 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -133.51 160.08 38.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.719 2.408 . . . . 0.0 107.734 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -139.55 145.45 38.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.087 1.312 . . . . 0.0 113.971 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.29 96.81 4.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.863 2.065 . . . . 0.0 105.989 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.88 -17.7 63.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.805 0.842 . . . . 0.0 112.351 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.45 -28.55 65.4 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.32 1.048 . . . . 0.0 112.092 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 t -127.73 -22.34 3.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.826 1.651 . . . . 0.0 110.382 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.341 89.2 mttt 83.14 29.07 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 1 C-N-CA 133.427 4.691 . . . . 0.0 108.288 -179.854 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.9 m -80.31 127.66 32.64 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.694 1.998 . . . . 0.0 109.651 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -107.77 111.23 23.29 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 103.122 -2.918 . . . . 0.0 103.122 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -103.96 142.37 34.55 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.96 138.48 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -126.34 104.61 8.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 tpp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.95 45.7 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -97.82 135.97 38.81 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -122.12 140.42 52.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.352 1.061 . . . . 0.0 109.155 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -101.43 137.48 39.71 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.126 0.876 . . . . 0.0 109.921 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.59 108.03 13.54 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.064 1.346 . . . . 0.0 111.529 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 tt -124.3 125.49 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 127.31 2.244 . . . . 0.0 108.438 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.84 140.8 49.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.073 1.349 . . . . 0.0 111.608 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -121.18 123.54 42.52 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 172.06 21.92 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 127.361 2.41 . . . . 0.0 107.883 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -57.7 -52.2 66.42 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.252 3.9 t -123.98 -2.09 8.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.854 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.2 mt -115.02 115.95 27.66 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.03 1.332 . . . . 0.0 107.77 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.96 149.4 40.04 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.57 167.45 35.8 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.49 153.54 40.54 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 122.787 0.435 . . . . 0.0 111.078 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -156.35 -174.85 5.13 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.221 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.55 148.01 38.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -141.78 166.52 24.5 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.519 1.528 . . . . 0.0 109.299 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -130.92 149.26 52.63 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 127.248 2.219 . . . . 0.0 107.548 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.98 144.57 26.86 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 119.655 1.116 . . . . 0.0 109.188 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.04 -32.57 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -140.05 158.02 44.73 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.69 63.9 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.266 -0.896 . . . . 0.0 108.923 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.09 64.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.425 1.49 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -76.81 -33.68 57.96 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.182 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.86 74.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 32.9 tt0 -56.13 -35.81 67.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.992 1.717 . . . . 0.0 112.16 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.58 -52.68 9.25 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.785 0.834 . . . . 0.0 110.343 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.279 0.7 OUTLIER -59.64 -31.77 47.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 117.487 -1.244 . . . . 0.0 110.471 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.3 m-30 -55.39 -44.2 75.89 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.688 1.586 . . . . 0.0 110.171 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.22 -49.61 63.88 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 118.511 0.596 . . . . 0.0 110.517 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.73 -50.39 74.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.734 0.814 . . . . 0.0 111.314 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.63 -54.35 24.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.734 1.213 . . . . 0.0 112.943 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.21 72.24 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.686 -0.634 . . . . 0.0 111.356 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -55.98 -28.97 59.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.673 -0.68 . . . . 0.0 112.519 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.22 -29.35 65.64 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.164 0.986 . . . . 0.0 111.385 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -84.29 5.39 26.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.932 1.293 . . . . 0.0 111.41 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.24 38.2 92.91 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 120.394 1.452 . . . . 0.0 111.26 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.04 141.36 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -139.22 126.27 21.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.731 2.812 . . . . 0.0 104.112 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.75 173.68 26.48 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 121.82 2.1 . . . . 0.0 111.512 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -89.65 149.42 22.81 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.82 1.648 . . . . 0.0 109.549 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -111.0 127.4 55.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.97 156.09 35.46 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.1 2.16 . . . . 0.0 106.028 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -139.4 146.9 40.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.928 1.24 . . . . 0.0 112.893 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.53 97.87 5.49 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.631 2.372 . . . . 0.0 106.62 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.01 -25.05 64.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.52 68.28 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.467 0.707 . . . . 0.0 112.721 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -126.81 0.49 6.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.788 1.635 . . . . 0.0 111.016 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.269 37.9 mttp 59.21 24.73 13.18 Favored 'General case' 0 N--CA 1.436 -1.137 1 C-N-CA 132.07 4.148 . . . . 0.0 110.672 -179.268 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -75.05 127.08 32.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.849 1.66 . . . . 0.0 109.971 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.49 110.73 21.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.533 -2.766 . . . . 0.0 103.533 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.0 p -100.07 142.2 31.87 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.662 1.185 . . . . 0.0 111.129 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 t -128.13 138.81 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.78 1.632 . . . . 0.0 107.436 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -127.27 104.32 7.88 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.562 0.745 . . . . 0.0 110.832 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.45 -150.67 5.65 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.455 1.025 . . . . 0.0 112.999 167.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -112.6 154.79 25.47 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.808 1.643 . . . . 0.0 110.006 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -142.92 133.12 24.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.222 1.009 . . . . 0.0 111.784 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -92.57 149.72 21.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 150.46 45.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.911 1.284 . . . . 0.0 109.701 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -155.84 121.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.272 1.429 . . . . 0.0 109.449 165.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -86.65 143.47 27.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.831 1.252 . . . . 0.0 109.608 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -125.64 96.12 4.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.247 1.419 . . . . 0.0 110.186 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.24 178.88 18.85 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.099 0.857 . . . . 0.0 112.969 169.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -45.4 -53.64 8.4 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -139.28 28.31 2.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.819 1.648 . . . . 0.0 110.019 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -135.43 105.11 6.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.967 1.307 . . . . 0.0 109.758 -171.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.33 -174.05 3.12 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.69 139.46 3.88 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.11 0.862 . . . . 0.0 113.014 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.08 166.17 12.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.928 1.691 . . . . 0.0 108.696 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -169.39 162.13 10.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.889 1.676 . . . . 0.0 110.03 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -120.33 140.17 51.67 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.778 1.631 . . . . 0.0 109.953 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.51 155.31 43.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.673 1.589 . . . . 0.0 109.876 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -130.66 152.6 49.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.927 1.691 . . . . 0.0 108.71 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.9 26.67 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 110.575 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -89.19 -38.17 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.782 1.633 . . . . 0.0 109.07 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -133.82 155.8 49.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.62 1.968 . . . . 0.0 109.558 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.77 43.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.334 1.454 . . . . 0.0 110.576 -168.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.93 90.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.168 1.387 . . . . 0.0 110.665 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -48.36 -61.25 2.1 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.705 1.602 . . . . 0.0 109.932 167.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -47.07 81.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.111 1.364 . . . . 0.0 110.659 -173.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 8.7 tt0 -51.23 -43.16 61.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.933 1.693 . . . . 0.0 108.734 178.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -76.75 -29.28 56.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -42.21 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.921 1.688 . . . . 0.0 108.991 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.1 m-30 -51.44 -37.52 49.1 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.628 1.171 . . . . 0.0 110.976 -174.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -85.02 -20.12 30.96 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.08 -61.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.306 1.042 . . . . 0.0 108.876 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -46.14 -50.99 14.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.203 1.001 . . . . 0.0 111.815 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.93 -42.48 39.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.145 1.378 . . . . 0.0 110.629 -167.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -46.41 -35.87 5.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.356 1.462 . . . . 0.0 110.209 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.55 -22.32 64.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.626 1.97 . . . . 0.0 109.584 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.84 -13.89 19.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.313 1.445 . . . . 0.0 110.269 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.78 75.27 1.22 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.096 0.855 . . . . 0.0 113.033 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m -122.45 143.13 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.931 1.692 . . . . 0.0 109.13 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -147.93 61.38 1.12 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.607 1.963 . . . . 0.0 109.547 167.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.01 -140.59 5.98 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.085 0.85 . . . . 0.0 112.921 -163.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.75 139.72 19.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.94 1.696 . . . . 0.0 108.719 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.53 121.27 44.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.358 1.063 . . . . 0.0 111.74 -160.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.2 m -126.8 119.25 26.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.763 1.625 . . . . 0.0 109.996 -170.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -98.77 122.36 41.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.136 0.974 . . . . 0.0 111.796 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -98.86 116.04 30.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.655 1.982 . . . . 0.0 109.545 161.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.47 -12.3 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.686 1.995 . . . . 0.0 109.495 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.4 -66.09 0.59 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.163 1.385 . . . . 0.0 110.698 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -101.25 19.13 18.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.732 1.613 . . . . 0.0 109.929 169.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.7 mttt 47.51 42.4 14.54 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.416 ' HG1' ' CG2' ' A' ' 50' ' ' THR . 35.8 m -86.75 131.68 34.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.78 1.632 . . . . 0.0 110.03 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -99.76 100.88 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.701 1.201 . . . . 0.0 110.834 165.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 m -91.19 119.32 31.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.793 1.637 . . . . 0.0 109.93 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -112.28 125.15 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.847 1.659 . . . . 0.0 109.014 -175.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -113.51 135.92 53.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.695 1.598 . . . . 0.0 109.932 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.736 2.814 . . . . 0.0 108.694 161.532 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.0 165.21 33.61 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -77.91 143.58 37.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -130.5 138.54 50.3 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.59 138.77 36.21 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.99 110.59 16.0 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 120.774 -1.204 . . . . 0.0 110.911 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 tt -122.67 126.19 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.856 2.462 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.27 139.36 51.44 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.34 1.056 . . . . 0.0 109.75 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -124.03 67.72 1.05 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.803 0.841 . . . . 0.0 109.264 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.06 43.79 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.62 -49.33 75.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.037 -1.272 . . . . 0.0 111.791 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 0.5 OUTLIER -121.8 -9.08 8.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 137.0 52.45 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -142.44 166.11 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.882 0.873 . . . . 0.0 110.421 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.38 170.28 42.75 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -152.04 138.82 18.87 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.996 0.918 . . . . 0.0 108.964 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -142.94 173.24 11.73 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.11 142.87 49.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -144.92 163.26 34.67 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.54 143.34 50.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.462 2.305 . . . . 0.0 108.132 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.32 145.17 18.99 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.102 1.319 . . . . 0.0 110.2 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.0 -43.88 93.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.225 1.01 . . . . 0.0 111.126 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -139.96 158.3 44.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.24 64.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.807 -0.616 . . . . 0.0 109.505 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.47 65.75 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 110.598 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -67.81 -36.95 81.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.495 0.718 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.58 89.46 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.353 0.661 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.24 -40.87 68.14 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 111.003 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.67 -42.29 51.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.26 0.624 . . . . 0.0 111.425 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -32.99 60.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 CA-C-O 118.166 -0.921 . . . . 0.0 109.624 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -56.18 -44.83 79.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 119.988 1.267 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -66.59 -49.24 66.99 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.175 0.443 . . . . 0.0 110.164 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.57 -51.09 71.37 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.817 0.847 . . . . 0.0 111.881 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.23 -54.24 49.19 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.995 1.318 . . . . 0.0 111.514 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.65 95.66 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.202 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.18 -33.2 70.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.81 -26.47 68.64 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.751 0.705 . . . . 0.0 110.099 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.45 3.4 32.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.325 1.85 . . . . 0.0 110.101 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.57 36.61 88.48 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 126.989 2.233 . . . . 0.0 114.074 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.28 142.96 13.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.74 95.28 2.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.58 -176.5 40.64 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.518 1.963 . . . . 0.0 113.909 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -99.87 149.81 23.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.098 1.759 . . . . 0.0 110.4 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -105.37 133.25 50.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -128.97 157.11 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.843 2.457 . . . . 0.0 106.199 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -139.48 141.74 37.36 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.233 0.924 . . . . 0.0 111.497 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.85 95.41 4.91 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 102.971 -2.974 . . . . 0.0 102.971 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.9 -29.68 67.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.551 1.14 . . . . 0.0 113.619 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.16 65.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.264 1.026 . . . . 0.0 113.288 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -125.84 -1.49 7.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.306 1.843 . . . . 0.0 111.265 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.286 90.5 mttt 61.62 22.2 12.74 Favored 'General case' 0 N--CA 1.435 -1.191 1 C-N-CA 132.838 4.455 . . . . 0.0 110.112 -179.699 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -74.64 122.76 23.7 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.325 2.25 . . . . 0.0 111.706 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.15 110.96 23.23 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.176 -3.638 . . . . 0.0 101.176 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -105.83 134.24 49.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.965 1.306 . . . . 0.0 111.217 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.64 134.41 63.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 126.007 1.723 . . . . 0.0 107.449 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -127.76 118.4 23.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.395 1.478 . . . . 0.0 107.352 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-N 118.49 0.586 . . . . 0.0 110.325 179.172 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.44 -173.07 43.49 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -87.98 143.66 26.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.052 1.341 . . . . 0.0 107.618 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -130.8 127.99 39.78 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -101.81 133.81 45.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.583 1.083 . . . . 0.0 110.646 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.92 109.54 15.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.312 1.845 . . . . 0.0 112.514 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 tt -122.63 127.57 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.278 2.231 . . . . 0.0 109.464 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.03 139.3 51.39 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.631 1.172 . . . . 0.0 108.032 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -125.76 64.76 1.19 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.38 162.76 49.51 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -64.69 -32.79 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.287 -0.537 . . . . 0.0 111.594 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -121.29 -16.38 7.92 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.63 138.33 52.13 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 124.408 1.083 . . . . 0.0 109.77 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -142.17 144.9 33.65 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.35 171.21 44.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -148.14 131.17 16.28 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.998 1.319 . . . . 0.0 109.35 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 t -136.41 174.6 10.44 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.53 0.732 . . . . 0.0 110.581 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -145.17 145.99 31.58 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.982 1.313 . . . . 0.0 107.604 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -152.7 166.43 32.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.314 1.446 . . . . 0.0 109.988 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -111.87 148.76 32.95 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.153 2.181 . . . . 0.0 108.837 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.58 144.53 35.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.127 0.971 . . . . 0.0 108.496 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.9 -43.23 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.461 0.704 . . . . 0.0 110.64 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -152.44 159.23 43.4 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 128.423 2.689 . . . . 0.0 105.854 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -21.39 33.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.294 1.038 . . . . 0.0 113.767 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.91 70.53 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.979 1.263 . . . . 0.0 111.945 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -78.25 -37.75 44.47 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.574 -0.704 . . . . 0.0 109.656 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.99 75.71 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.931 0.892 . . . . 0.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.89 -36.03 64.73 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.437 -0.789 . . . . 0.0 111.948 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.62 -49.53 18.2 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.582 0.753 . . . . 0.0 109.643 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.81 -33.21 44.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.085 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -56.53 -44.48 80.86 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.974 1.261 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -71.71 -48.85 44.4 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.269 0.94 . . . . 0.0 110.184 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -57.92 -50.8 72.12 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.611 0.764 . . . . 0.0 112.38 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -65.79 -53.99 32.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.743 1.217 . . . . 0.0 110.873 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.68 75.7 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.957 0.344 . . . . 0.0 110.894 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -56.89 -32.91 66.37 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.277 0.49 . . . . 0.0 111.889 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.89 -24.6 67.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.444 0.565 . . . . 0.0 111.503 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.88 1.44 43.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.381 2.273 . . . . 0.0 110.131 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.55 95.5 Favored Glycine 0 C--N 1.347 1.143 0 O-C-N 120.659 -1.276 . . . . 0.0 112.701 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.74 141.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 119.322 3.082 . . . . 0.0 119.322 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -139.73 87.81 2.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.33 2.652 . . . . 0.0 106.956 175.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.9 -172.53 33.38 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 120.704 1.593 . . . . 0.0 115.884 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.07 149.67 21.73 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.613 2.765 . . . . 0.0 110.801 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -111.46 134.22 53.19 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 m -125.09 156.68 37.89 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.21 2.604 . . . . 0.0 105.736 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -139.32 143.64 37.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.789 1.177 . . . . 0.0 112.444 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 96.2 4.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.802 2.441 . . . . 0.0 105.577 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.07 -27.86 67.33 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.77 66.55 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.613 0.765 . . . . 0.0 112.424 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.19 7.43 5.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.014 1.726 . . . . 0.0 110.674 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.265 46.5 mttt 52.27 31.85 9.95 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 130.095 3.358 . . . . 0.0 109.932 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -76.19 116.35 16.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 128.376 2.671 . . . . 0.0 111.295 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.09 110.85 23.4 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 m -105.02 142.33 35.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.662 0.785 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.02 137.59 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 126.42 1.888 . . . . 0.0 106.011 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 p -128.0 107.58 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.145 1.378 . . . . 0.0 110.668 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.372 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 118.087 -0.958 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.78 -171.77 24.14 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 119.907 1.23 . . . . 0.0 111.845 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.39 141.7 30.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 104.332 -2.469 . . . . 0.0 104.332 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -129.48 128.24 42.48 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -101.08 131.47 46.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.388 0.995 . . . . 0.0 110.06 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.87 115.59 23.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.41 -1.431 . . . . 0.0 113.142 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -122.65 132.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.689 2.396 . . . . 0.0 110.075 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.58 136.28 53.95 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.547 1.139 . . . . 0.0 109.811 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -115.19 70.18 0.74 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.98 159.3 45.41 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -63.93 -40.42 96.43 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.742 1.217 . . . . 0.0 110.629 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -121.33 -17.15 7.72 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -128.81 139.27 52.25 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.36 0.982 . . . . 0.0 109.58 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -142.54 161.43 38.08 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.335 0.654 . . . . 0.0 110.928 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.01 32.68 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.96 136.55 30.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -143.51 173.36 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 118.729 0.695 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -145.39 141.23 28.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -149.76 167.54 26.2 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 108.741 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -124.95 149.15 47.96 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.257 1.823 . . . . 0.0 108.3 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.77 39.52 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.705 1.139 . . . . 0.0 111.293 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.62 -45.95 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.274 1.029 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -147.71 158.79 44.18 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 127.308 2.243 . . . . 0.0 106.124 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -19.73 56.95 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.371 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.73 66.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.187 1.812 . . . . 0.0 110.905 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 m -65.48 -36.72 84.73 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.117 0.967 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.87 68.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.014 0.526 . . . . 0.0 109.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.11 -34.56 60.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.386 1.074 . . . . 0.0 111.048 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.67 -51.24 14.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.638 1.175 . . . . 0.0 108.754 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.61 49.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.154 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -56.34 -45.68 80.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.105 1.321 . . . . 0.0 111.928 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -75.21 -44.77 44.51 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 118.519 0.6 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -57.78 -50.45 73.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.389 0.676 . . . . 0.0 110.888 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -67.06 -54.79 18.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.754 0.821 . . . . 0.0 111.879 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.89 71.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 119.303 -0.38 . . . . 0.0 111.508 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.97 -29.25 59.95 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.263 0.625 . . . . 0.0 111.63 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.64 -24.71 67.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.091 0.86 . . . . 0.0 111.385 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -83.69 3.95 30.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.362 1.465 . . . . 0.0 108.803 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.13 38.66 96.5 Favored Glycine 0 C--N 1.343 0.955 0 O-C-N 120.603 -1.311 . . . . 0.0 111.293 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.56 142.96 13.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -139.3 106.44 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.166 3.387 . . . . 0.0 104.56 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.89 176.93 41.15 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.911 2.141 . . . . 0.0 114.075 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -85.54 149.28 25.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 128.551 2.74 . . . . 0.0 110.917 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -111.62 146.58 37.18 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.896 1.279 . . . . 0.0 113.65 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.1 m -136.63 156.49 48.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.846 2.459 . . . . 0.0 106.429 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -139.23 141.78 37.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.498 1.045 . . . . 0.0 112.641 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.88 97.08 4.69 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 129.471 3.108 . . . . 0.0 108.018 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.2 -24.45 59.13 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.47 69.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.742 1.155 . . . . 0.0 112.87 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.56 9.48 6.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.332 1.853 . . . . 0.0 110.245 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.269 68.9 mttt 52.35 33.95 13.96 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 130.776 3.63 . . . . 0.0 109.296 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -75.02 115.34 14.54 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 129.187 2.995 . . . . 0.0 111.613 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.11 131.12 53.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 102.109 -3.293 . . . . 0.0 102.109 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.0 m -128.29 142.68 51.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.996 0.918 . . . . 0.0 110.459 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.37 138.59 53.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 126.987 2.115 . . . . 0.0 108.329 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.1 p -126.98 109.39 11.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.944 1.698 . . . . 0.0 109.707 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.981 0.913 . . . . 0.0 109.57 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.47 -167.77 28.63 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -107.02 143.87 34.49 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.621 0.768 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -133.6 137.65 45.57 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.909 1.683 . . . . 0.0 106.937 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -101.07 135.87 41.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.794 0.724 . . . . 0.0 110.408 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.23 109.04 14.48 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.194 1.398 . . . . 0.0 112.113 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tt -123.46 131.85 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 127.773 2.429 . . . . 0.0 110.38 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.05 140.82 49.41 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.943 2.097 . . . . 0.0 111.825 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -126.48 107.64 10.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.615 1.566 . . . . 0.0 109.906 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.7 -175.28 19.95 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.103 1.335 . . . . 0.0 111.812 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.66 -50.21 39.16 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.654 -0.91 . . . . 0.0 110.647 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.258 10.6 t -123.73 3.25 8.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.78 1.232 . . . . 0.0 113.032 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -128.3 145.0 51.19 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.504 1.047 . . . . 0.0 110.857 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -142.5 165.74 26.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.875 1.67 . . . . 0.0 109.073 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.3 156.96 25.4 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.73 127.68 4.83 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.268 1.027 . . . . 0.0 108.405 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -147.75 -178.44 6.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.911 0.863 . . . . 0.0 108.78 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 162.01 33.17 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 p -144.78 153.2 41.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 108.9 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.33 120.45 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 101.727 -3.434 . . . . 0.0 101.727 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.62 156.01 47.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.074 0.852 . . . . 0.0 111.464 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.02 -45.61 95.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 124.499 1.12 . . . . 0.0 110.55 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -149.42 159.94 43.86 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.36 1.464 . . . . 0.0 109.354 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.17 66.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.714 -0.66 . . . . 0.0 112.564 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -32.88 74.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.49 1.496 . . . . 0.0 110.059 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -73.2 -38.13 66.21 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.338 1.055 . . . . 0.0 109.544 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.39 78.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.104 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -53.81 -34.79 60.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.613 1.165 . . . . 0.0 111.139 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -76.85 -52.7 9.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.06 1.344 . . . . 0.0 109.851 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -33.06 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.618 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -55.61 -40.98 72.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.218 1.372 . . . . 0.0 111.581 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -71.25 -34.76 71.04 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.033 0.933 . . . . 0.0 112.062 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -51.0 10.55 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 118.646 0.657 . . . . 0.0 110.022 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -54.18 -55.22 30.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.779 1.632 . . . . 0.0 113.118 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.32 75.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -57.47 -30.85 65.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.276 0.489 . . . . 0.0 111.453 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.99 -25.88 67.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.857 0.753 . . . . 0.0 111.084 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -84.55 0.26 50.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.924 2.09 . . . . 0.0 109.807 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.32 93.6 Favored Glycine 0 C--N 1.343 0.964 0 C-N-CA 125.937 1.732 . . . . 0.0 113.015 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -85.31 141.36 14.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 118.941 1.37 . . . . 0.0 113.909 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -139.57 65.61 1.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.77 -174.3 17.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.07 148.99 26.52 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 130.498 3.519 . . . . 0.0 111.313 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -113.43 145.97 40.3 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.71 154.57 45.39 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -135.89 137.48 41.46 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.436 0.695 . . . . 0.0 111.61 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.79 108.39 10.69 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.047 1.739 . . . . 0.0 107.667 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.55 -10.77 8.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.815 2.046 . . . . 0.0 115.939 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.59 72.06 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 120.068 1.304 . . . . 0.0 112.085 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 -6.41 5.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.274 1.83 . . . . 0.0 109.593 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.3 mttt 73.24 38.81 0.65 Allowed 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 129.879 3.272 . . . . 0.0 105.418 -178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -87.6 129.06 35.24 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 125.361 1.464 . . . . 0.0 112.434 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -103.94 136.16 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -134.54 142.34 46.96 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.148 0.28 . . . . 0.0 110.696 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.86 136.52 60.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 126.214 1.806 . . . . 0.0 106.654 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -128.37 105.21 8.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.609 1.164 . . . . 0.0 108.419 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.64 46.74 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -95.78 143.66 26.82 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -135.52 128.27 31.03 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -102.23 130.67 48.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.464 1.029 . . . . 0.0 109.836 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.53 112.54 18.15 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.83 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.96 131.5 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 128.237 2.615 . . . . 0.0 107.774 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.95 139.45 51.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.32 1.448 . . . . 0.0 109.094 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -125.02 86.9 2.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.056 0.942 . . . . 0.0 109.175 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.05 176.51 49.46 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.134 -1.587 . . . . 0.0 109.134 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -62.66 -50.93 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.05 -1.265 . . . . 0.0 110.978 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.275 4.2 t -123.25 4.12 9.18 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.175 0.99 . . . . 0.0 113.401 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.29 147.67 50.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.855 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -142.31 148.16 37.53 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.62 149.8 16.05 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.92 163.21 38.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 117.777 0.789 . . . . 0.0 111.322 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -156.92 170.64 22.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.788 0.804 . . . . 0.0 108.971 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -142.5 140.02 31.71 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -147.35 166.12 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -128.08 114.18 16.72 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 103.52 -2.771 . . . . 0.0 103.52 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.55 148.32 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.24 1.016 . . . . 0.0 111.748 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.76 -45.96 94.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.84 1.256 . . . . 0.0 110.731 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -141.56 158.98 43.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.709 1.604 . . . . 0.0 107.223 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.66 65.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.43 67.26 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.684 1.583 . . . . 0.0 108.801 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -65.04 -41.53 95.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.96 94.84 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -54.21 -41.27 68.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.383 1.073 . . . . 0.0 109.875 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.67 -52.82 40.48 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.397 -0.815 . . . . 0.0 111.259 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.63 -33.0 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.124 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -56.19 -40.66 74.31 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 110.109 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -49.59 14.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 120.187 1.358 . . . . 0.0 111.701 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -52.38 64.07 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.34 -52.16 62.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.231 1.378 . . . . 0.0 112.515 -177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.39 93.9 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.375 0.67 . . . . 0.0 110.361 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.32 -36.96 85.65 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.804 0.729 . . . . 0.0 110.588 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.82 -24.65 65.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.801 0.84 . . . . 0.0 109.721 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -83.55 -3.08 57.34 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.367 2.267 . . . . 0.0 109.694 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.86 38.9 56.05 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.024 1.774 . . . . 0.0 116.135 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 m -81.16 140.52 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.654 1.727 . . . . 0.0 112.279 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 66.01 1.43 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.77 -163.82 11.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.14 -0.975 . . . . 0.0 114.593 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.42 149.54 30.12 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.728 2.011 . . . . 0.0 110.425 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -101.15 136.14 41.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.103 1.761 . . . . 0.0 114.899 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.6 p -120.78 162.1 20.33 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.613 2.365 . . . . 0.0 107.922 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -139.78 140.67 36.74 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -129.28 96.75 4.38 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 107.209 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.95 -22.64 64.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.6 -26.67 61.86 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.864 0.866 . . . . 0.0 113.13 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -17.54 4.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.224 1.81 . . . . 0.0 110.296 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mttm 74.27 33.57 0.89 Allowed 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 131.381 3.872 . . . . 0.0 104.907 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 m -76.65 135.79 39.14 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.394 1.477 . . . . 0.0 108.939 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.95 110.9 16.84 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 101.824 -3.398 . . . . 0.0 101.824 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 m -111.39 141.76 44.52 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -129.94 136.49 58.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 125.777 1.631 . . . . 0.0 106.848 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -128.11 116.28 19.73 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.85 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 2' ' ' GLY . 3.1 tpt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.174 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 1' ' ' MET . . . -165.48 -164.22 20.46 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 119.373 0.988 . . . . 0.0 112.921 171.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -97.48 139.19 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.674 1.59 . . . . 0.0 109.97 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.95 137.84 54.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.197 0.999 . . . . 0.0 111.763 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -102.59 154.59 18.98 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 144.75 30.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.792 1.237 . . . . 0.0 109.666 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -152.9 133.09 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.281 1.432 . . . . 0.0 109.522 163.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 38' ' ' ASN . 0.9 OUTLIER -97.08 143.01 28.32 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.936 1.294 . . . . 0.0 109.733 170.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.59 114.39 18.02 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.252 1.421 . . . . 0.0 110.247 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.49 -178.18 16.47 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.142 0.877 . . . . 0.0 112.981 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.94 -54.63 32.09 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -135.44 34.22 3.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.742 1.617 . . . . 0.0 109.955 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -138.05 145.88 42.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.847 1.259 . . . . 0.0 109.691 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -166.37 160.47 15.72 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.97 145.88 4.22 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.043 0.83 . . . . 0.0 112.913 173.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.66 162.35 27.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.834 1.654 . . . . 0.0 108.325 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 t -166.09 171.56 12.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 127.185 2.194 . . . . 0.0 110.348 -173.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -137.75 154.45 49.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.932 1.693 . . . . 0.0 109.969 171.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -134.71 168.51 18.88 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.703 1.601 . . . . 0.0 109.987 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -134.19 129.56 35.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.883 1.673 . . . . 0.0 108.685 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.11 147.01 49.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.166 1.386 . . . . 0.0 110.709 -170.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -80.46 -32.61 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.948 1.699 . . . . 0.0 108.98 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -138.39 155.15 48.78 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.632 1.973 . . . . 0.0 109.549 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -14.91 63.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.108 1.363 . . . . 0.0 110.529 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.59 84.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.162 1.385 . . . . 0.0 110.625 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 m -65.7 -54.76 23.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.679 1.591 . . . . 0.0 109.987 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.72 7.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.161 1.384 . . . . 0.0 110.64 166.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 36.0 tt0 -62.11 -31.53 72.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.904 1.681 . . . . 0.0 108.636 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.33 -42.38 75.4 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.18 -46.67 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.781 1.632 . . . . 0.0 109.006 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -48.03 -46.98 33.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 110.804 -170.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.29 -42.57 68.53 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.2 -54.78 7.03 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.317 1.047 . . . . 0.0 108.869 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -57.87 -45.13 86.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.21 1.004 . . . . 0.0 111.838 -168.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.61 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.173 1.389 . . . . 0.0 110.531 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.11 -24.93 60.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.288 1.435 . . . . 0.0 110.233 173.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.56 -28.22 56.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.667 1.987 . . . . 0.0 109.516 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.412 HD22 HD21 ' A' ' 8' ' ' LEU . 4.3 t-20 -92.05 -7.25 49.3 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.315 1.446 . . . . 0.0 110.301 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.07 74.93 1.03 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.057 0.836 . . . . 0.0 113.034 167.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m -122.06 147.38 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.83 1.652 . . . . 0.0 109.012 -170.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -149.43 57.48 1.0 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.553 1.941 . . . . 0.0 109.489 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.02 -132.86 3.56 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.209 0.909 . . . . 0.0 112.973 -170.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.61 144.01 17.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.017 1.727 . . . . 0.0 108.717 -168.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -112.17 124.67 52.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.391 1.076 . . . . 0.0 111.599 -161.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -130.42 159.98 35.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.717 1.607 . . . . 0.0 109.866 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.21 140.1 39.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.21 1.004 . . . . 0.0 111.783 -161.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -128.29 113.72 16.0 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.719 2.007 . . . . 0.0 109.542 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -80.29 14.92 1.74 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.594 1.958 . . . . 0.0 109.613 -163.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.62 -51.6 6.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.165 1.386 . . . . 0.0 110.597 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.0 t -116.72 14.94 15.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.677 1.591 . . . . 0.0 109.853 166.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 52.51 48.57 22.29 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -78.51 136.16 37.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.699 1.6 . . . . 0.0 109.963 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -101.97 108.81 20.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.673 1.189 . . . . 0.0 110.895 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -86.97 128.91 35.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.736 1.614 . . . . 0.0 109.909 176.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.83 120.15 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.915 1.686 . . . . 0.0 109.111 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.4 m -116.3 119.91 37.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.779 1.632 . . . . 0.0 109.929 168.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.257 1.471 0 C-N-CA 128.643 2.777 . . . . 0.0 108.698 171.11 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.65 -128.24 0.94 Allowed Glycine 0 CA--C 1.526 0.771 0 CA-C-N 119.408 1.004 . . . . 0.0 113.057 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.6 135.65 51.51 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.865 1.666 . . . . 0.0 110.018 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -110.71 123.91 50.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.278 1.031 . . . . 0.0 111.76 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -88.79 149.19 23.54 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 169.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.39 37.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.899 1.28 . . . . 0.0 109.712 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -151.83 137.27 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.322 1.449 . . . . 0.0 109.52 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 34' ' ' TYR . 1.3 mm? -104.67 150.5 24.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.862 1.265 . . . . 0.0 109.708 171.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -131.95 98.52 4.47 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.285 1.434 . . . . 0.0 110.23 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.98 178.63 18.83 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.041 0.829 . . . . 0.0 113.022 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -60.14 -55.84 28.89 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.94 23.07 10.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.676 1.591 . . . . 0.0 109.882 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.9 134.61 31.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.902 1.281 . . . . 0.0 109.634 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -155.46 -178.02 6.97 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.91 153.44 6.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.132 0.872 . . . . 0.0 113.017 174.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -134.86 151.9 51.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.979 1.712 . . . . 0.0 108.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -163.88 176.27 9.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.853 1.661 . . . . 0.0 110.015 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -146.91 151.64 37.38 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.792 1.637 . . . . 0.0 109.926 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -145.58 156.12 43.48 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.763 1.625 . . . . 0.0 110.013 -165.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -123.25 144.27 49.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.027 1.731 . . . . 0.0 108.752 171.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 26' ' ' THR . . . -150.94 141.43 22.51 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.105 1.362 . . . . 0.0 110.576 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.17 -39.78 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.88 1.672 . . . . 0.0 108.998 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -129.24 160.37 33.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.656 1.982 . . . . 0.0 109.592 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.26 -31.4 72.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.074 1.349 . . . . 0.0 110.634 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.7 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.128 1.371 . . . . 0.0 110.71 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 21' ' ' ALA . 28.2 m -48.82 -58.69 4.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.725 1.61 . . . . 0.0 109.908 171.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.54 4.56 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.172 1.389 . . . . 0.0 110.639 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 52.2 tt0 -51.79 -40.3 60.15 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.908 1.683 . . . . 0.0 108.69 -171.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -67.37 -31.39 71.59 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.57 -42.24 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.95 1.7 . . . . 0.0 109.023 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 17.9 m-30 -56.45 -43.22 79.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.741 1.216 . . . . 0.0 110.861 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -79.28 -20.43 48.05 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.82 -56.16 3.99 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.348 1.059 . . . . 0.0 108.841 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 8' ' ' LEU . 17.2 t80 -59.66 -39.55 84.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.188 0.995 . . . . 0.0 111.857 -164.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.59 20.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.182 1.393 . . . . 0.0 110.651 -172.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -61.33 -26.93 68.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.276 1.43 . . . . 0.0 110.327 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.15 -31.4 64.23 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.668 1.987 . . . . 0.0 109.574 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -74.62 -33.36 62.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.386 1.474 . . . . 0.0 110.27 169.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.84 91.4 1.05 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.127 0.87 . . . . 0.0 113.138 -170.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.43 149.51 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.851 1.661 . . . . 0.0 108.961 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.05 52.69 1.02 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.621 1.968 . . . . 0.0 109.589 172.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.05 -136.66 5.26 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.166 0.889 . . . . 0.0 113.054 -170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 142.12 21.85 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.938 1.695 . . . . 0.0 108.703 -172.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -108.97 131.79 54.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.385 1.074 . . . . 0.0 111.683 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 p -123.62 142.97 50.53 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.74 1.616 . . . . 0.0 109.904 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -114.53 133.48 55.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.244 1.017 . . . . 0.0 111.784 -170.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.21 110.38 15.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.7 2.0 . . . . 0.0 109.561 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.21 -16.34 61.42 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.649 1.979 . . . . 0.0 109.596 -170.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.58 -54.4 11.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.061 1.344 . . . . 0.0 110.693 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.36 29.53 5.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.756 1.622 . . . . 0.0 110.026 174.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mttm 39.09 49.38 1.64 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -93.46 122.44 35.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.789 1.636 . . . . 0.0 109.975 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -90.47 120.44 31.57 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.766 1.226 . . . . 0.0 110.851 168.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.06 129.03 54.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.766 1.626 . . . . 0.0 109.945 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.68 140.2 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.927 1.691 . . . . 0.0 108.973 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.6 m -141.82 126.74 18.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.714 1.605 . . . . 0.0 109.93 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.258 1.5 0 C-N-CA 128.79 2.836 . . . . 0.0 108.678 -178.401 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.82 -174.65 45.82 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -102.14 139.67 37.44 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -131.64 131.0 42.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.788 1.235 . . . . 0.0 109.979 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -100.93 128.06 47.13 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.401 1.455 . . . . 0.0 110.975 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.92 115.11 21.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.481 1.912 . . . . 0.0 113.7 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.07 131.33 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 128.079 2.552 . . . . 0.0 111.007 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.36 140.4 48.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.833 2.053 . . . . 0.0 109.112 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.79 73.84 1.49 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 113.403 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.34 169.21 51.85 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.81 -46.31 74.49 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.345 -1.091 . . . . 0.0 110.273 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -122.09 14.82 10.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.21 1.404 . . . . 0.0 112.492 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.2 146.89 51.02 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.37 1.441 . . . . 0.0 110.761 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -143.08 162.99 34.07 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.108 1.363 . . . . 0.0 110.11 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.27 151.86 7.5 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 126.044 1.783 . . . . 0.0 109.899 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.31 138.55 26.45 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.27 17.6 m -145.32 163.72 33.67 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.122 -0.986 . . . . 0.0 110.5 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 140.38 40.17 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 p -137.65 164.0 29.88 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.713 1.205 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.56 146.72 50.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.38 29.61 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.554 0.616 . . . . 0.0 110.32 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.5 -45.9 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.747 1.219 . . . . 0.0 109.336 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.57 157.62 45.2 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -18.98 65.68 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -46.14 77.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 120.819 1.645 . . . . 0.0 111.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 m -65.17 -32.97 74.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.092 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -50.35 69.04 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.26 -40.36 93.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.64 0.654 . . . . 0.0 110.452 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -61.71 -52.59 63.66 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.29 0.636 . . . . 0.0 110.319 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -33.58 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-O 116.547 -1.692 . . . . 0.0 110.01 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -56.41 -44.39 80.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 120.904 1.684 . . . . 0.0 113.045 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.21 -49.97 67.69 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 120.286 1.403 . . . . 0.0 110.661 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -49.13 72.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.769 0.713 . . . . 0.0 111.936 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.24 -54.8 30.82 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 124.815 1.246 . . . . 0.0 111.314 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.02 69.12 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.803 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.86 -29.95 67.35 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.15 -15.68 63.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.619 0.768 . . . . 0.0 110.459 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -92.18 14.8 15.09 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.839 2.456 . . . . 0.0 109.959 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.2 39.88 95.09 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 127.506 2.479 . . . . 0.0 115.469 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -95.39 139.04 19.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 119.195 3.035 . . . . 0.0 119.195 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.59 101.26 4.05 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 100.573 -3.862 . . . . 0.0 100.573 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.88 -168.86 34.74 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 121.876 2.126 . . . . 0.0 114.934 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -104.94 149.49 25.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.193 1.797 . . . . 0.0 111.45 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -110.85 132.18 54.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.533 1.933 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 p -116.56 163.91 15.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.159 2.184 . . . . 0.0 107.726 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -139.78 140.56 36.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.11 96.94 4.61 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.934 2.493 . . . . 0.0 106.224 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.24 -22.73 63.39 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.65 77.51 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.35 -0.844 . . . . 0.0 113.201 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.87 13.48 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 127.39 2.276 . . . . 0.0 110.612 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 mttt 46.05 42.52 9.67 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.398 3.079 . . . . 0.0 107.951 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -79.59 116.02 19.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.109 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -105.04 110.79 23.32 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.302 -3.221 . . . . 0.0 102.302 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 m -109.7 142.61 40.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.363 1.065 . . . . 0.0 108.827 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -129.02 137.02 58.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 m -127.85 117.5 21.94 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.774 1.23 . . . . 0.0 107.812 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 116.718 -1.61 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.8 175.46 40.75 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 121.826 2.103 . . . . 0.0 112.496 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -92.79 144.41 25.32 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -138.12 135.02 35.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -100.81 137.8 38.71 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 109.599 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -121.28 109.42 14.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 114.549 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -123.51 129.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 126.166 1.786 . . . . 0.0 109.337 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.6 138.94 52.23 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.822 2.049 . . . . 0.0 107.271 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.52 118.94 25.93 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.393 1.077 . . . . 0.0 109.441 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.69 170.47 13.28 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.987 1.756 . . . . 0.0 109.482 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -55.66 -50.5 70.07 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.203 -0.586 . . . . 0.0 111.466 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -123.69 3.51 8.9 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mp -127.88 152.24 48.09 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.791 1.178 . . . . 0.0 109.813 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -142.83 164.94 28.72 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.121 0.968 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.93 128.98 1.99 Allowed Glycine 0 C--O 1.226 -0.345 0 N-CA-C 107.213 -2.355 . . . . 0.0 107.213 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -135.6 126.71 27.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.243 1.521 . . . . 0.0 107.777 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -151.38 -178.3 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 110.745 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -130.34 157.54 42.27 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.192 1.797 . . . . 0.0 106.212 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 p -149.68 159.29 44.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.508 1.123 . . . . 0.0 109.046 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -130.18 148.9 52.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.68 144.44 35.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.573 -0.704 . . . . 0.0 110.297 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -65.58 -39.47 85.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.93 157.65 45.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.716 2.406 . . . . 0.0 106.314 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -19.42 62.07 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.31 70.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.224 0.92 . . . . 0.0 112.541 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -27.7 67.98 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.988 0.813 . . . . 0.0 112.671 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -40.93 80.28 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.45 -30.93 67.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.566 0.747 . . . . 0.0 111.289 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -73.82 -49.03 27.13 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.472 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.44 -34.86 59.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 123.567 0.747 . . . . 0.0 109.788 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -53.7 -44.53 69.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 119.184 0.902 . . . . 0.0 110.957 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -74.65 -48.03 28.58 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.17 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.56 -51.64 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.39 -48.13 43.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.793 -0.567 . . . . 0.0 110.775 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.33 73.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.648 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.65 -29.26 69.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.745 1.157 . . . . 0.0 111.095 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.36 -25.09 67.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.509 0.724 . . . . 0.0 109.905 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -84.45 -4.69 59.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.479 1.511 . . . . 0.0 110.871 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.54 94.13 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 119.702 1.137 . . . . 0.0 111.403 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.01 142.94 13.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -139.06 90.87 2.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 126.545 1.938 . . . . 0.0 105.917 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.82 -172.26 36.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 121.552 1.978 . . . . 0.0 115.793 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.23 149.0 21.64 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 129.243 3.017 . . . . 0.0 110.726 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -111.26 131.16 55.36 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.006 0.922 . . . . 0.0 113.416 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -130.39 156.29 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -139.87 146.76 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -129.7 121.14 26.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.581 1.552 . . . . 0.0 109.744 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.89 -14.79 62.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.04 70.2 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.687 1.13 . . . . 0.0 112.062 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -1.83 6.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.919 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 mttm 67.78 35.02 4.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 130.071 3.348 . . . . 0.0 104.863 -177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -77.27 145.7 37.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.588 2.355 . . . . 0.0 111.591 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -121.53 131.52 54.19 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 129.198 2.999 . . . . 0.0 102.965 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 p -126.55 135.99 51.99 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.899 1.68 . . . . 0.0 110.95 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.21 132.25 65.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 125.686 1.595 . . . . 0.0 107.481 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -127.87 104.67 7.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.381 0.672 . . . . 0.0 109.379 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.243 0.718 0 C-N-CA 125.659 1.584 . . . . 0.0 107.687 178.368 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.84 179.41 47.24 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 120.009 -1.091 . . . . 0.0 114.131 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -70.3 145.64 51.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.774 2.03 . . . . 0.0 109.793 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -138.4 126.49 22.74 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.667 -2.346 . . . . 0.0 104.667 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -102.26 126.6 49.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.34 115.32 23.32 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.191 1.397 . . . . 0.0 113.168 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -122.58 132.58 70.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 127.936 2.494 . . . . 0.0 109.247 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.21 132.06 56.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.184 2.194 . . . . 0.0 105.25 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.25 71.81 1.28 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.816 1.246 . . . . 0.0 110.177 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.54 174.19 50.78 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.36 -48.8 74.13 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 121.431 -1.041 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -121.7 4.0 10.07 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -128.11 141.64 51.43 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.671 1.188 . . . . 0.0 108.126 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -143.17 150.8 39.9 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.32 148.03 11.68 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -147.14 146.26 29.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.388 1.094 . . . . 0.0 110.347 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -156.76 171.93 19.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 111.095 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -141.57 151.65 43.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 128.148 2.579 . . . . 0.0 105.026 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -166.77 166.95 15.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.4 127.26 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.3 145.4 44.01 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 122.195 0.998 . . . . 0.0 112.061 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.78 -31.97 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -154.09 159.34 41.46 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.875 0.761 . . . . 0.0 110.218 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.3 75.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.668 0.787 . . . . 0.0 109.607 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.03 74.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 110.342 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -70.2 -43.76 70.06 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.05 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.991 0.916 . . . . 0.0 108.804 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.67 -34.59 59.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.732 2.013 . . . . 0.0 111.642 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -72.91 -47.97 41.16 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.888 -0.508 . . . . 0.0 111.017 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.47 -32.47 57.87 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.019 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -55.15 -44.03 74.78 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.28 0.945 . . . . 0.0 110.743 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -66.05 -49.87 66.14 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.571 1.078 . . . . 0.0 112.247 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -50.61 55.33 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.49 -0.766 . . . . 0.0 112.988 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.82 -41.17 97.44 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 119.201 0.909 . . . . 0.0 111.116 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.79 66.53 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.702 -0.624 . . . . 0.0 109.746 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.6 -33.96 76.04 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.292 0.951 . . . . 0.0 110.989 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.81 -24.75 67.65 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.12 0.968 . . . . 0.0 109.571 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -83.49 0.59 45.7 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.693 1.997 . . . . 0.0 109.883 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.25 36.06 92.35 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.753 1.644 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.94 141.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -139.44 65.42 1.44 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.68 -173.3 15.08 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 114.849 0.7 . . . . 0.0 114.849 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -99.93 150.41 22.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 129.49 3.116 . . . . 0.0 111.031 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -109.7 129.64 55.59 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 p -119.44 164.72 15.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.157 1.783 . . . . 0.0 107.373 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.34 143.32 39.85 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.54 97.62 4.76 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 128.656 2.782 . . . . 0.0 106.918 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.76 -10.86 40.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.85 -39.64 74.65 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.26 1.024 . . . . 0.0 111.08 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.2 -10.46 5.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 110.027 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.284 48.0 mttm 81.76 36.86 0.07 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 130.77 3.628 . . . . 0.0 107.714 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -75.43 116.04 15.73 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 129.258 3.023 . . . . 0.0 110.878 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.43 125.56 50.74 Favored 'General case' 0 N--CA 1.446 -0.666 1 N-CA-C 99.633 -4.21 . . . . 0.0 99.633 175.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -126.23 138.55 53.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.78 131.37 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 125.597 1.559 . . . . 0.0 109.664 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -128.28 122.7 32.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.246 0.889 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 178.428 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.28 177.48 48.29 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 120.059 1.299 . . . . 0.0 112.37 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 10.1 t -89.96 144.84 25.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.83 132.08 43.4 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -101.13 133.93 44.92 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.2 109.38 15.35 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 126.26 1.824 . . . . 0.0 112.643 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tt -123.37 131.53 72.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 127.507 2.323 . . . . 0.0 109.186 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.39 133.08 56.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.469 1.908 . . . . 0.0 108.653 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -123.49 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.513 1.525 . . . . 0.0 107.562 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.02 176.05 29.11 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.566 1.079 . . . . 0.0 110.537 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.63 -49.13 76.41 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.961 0.904 . . . . 0.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.9 1.21 9.29 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.83 1.252 . . . . 0.0 113.787 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 mt -128.44 134.0 48.66 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.615 1.166 . . . . 0.0 110.472 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -142.03 134.32 27.83 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.74 157.22 29.18 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.42 158.72 44.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.537 0.669 . . . . 0.0 111.518 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -155.04 172.04 18.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -144.37 142.7 30.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -155.07 167.44 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 25.4 tt0 -116.34 143.81 45.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 109.115 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.93 144.4 43.42 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.918 0.887 . . . . 0.0 112.275 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.72 -31.1 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.752 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -150.08 157.96 43.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -22.9 58.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.921 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.91 71.09 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.799 1.636 . . . . 0.0 109.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.8 m -70.65 -41.09 72.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.8 73.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.28 1.032 . . . . 0.0 108.868 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.67 -41.02 66.43 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.015 1.326 . . . . 0.0 110.23 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -67.65 -48.28 67.12 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 111.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.71 -33.75 65.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -56.18 -43.92 78.89 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.7 1.136 . . . . 0.0 111.215 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -65.62 -49.97 66.78 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.6 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -51.57 61.48 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.602 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -57.17 -53.34 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.297 1.039 . . . . 0.0 112.966 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.91 89.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.297 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.16 -33.52 75.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.213 0.915 . . . . 0.0 111.768 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.715 1.206 . . . . 0.0 109.777 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.75 -0.98 57.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.368 2.667 . . . . 0.0 110.001 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.94 35.65 79.64 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.204 1.859 . . . . 0.0 115.377 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.5 m -83.56 144.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -138.73 84.39 2.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.18 -177.85 38.53 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.291 1.405 . . . . 0.0 115.845 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -96.53 147.99 23.29 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.494 3.118 . . . . 0.0 111.118 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -112.26 132.67 54.81 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 118.209 2.67 . . . . 0.0 118.209 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 p -121.68 160.94 23.42 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.047 2.539 . . . . 0.0 106.97 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -139.25 144.48 38.44 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.449 1.022 . . . . 0.0 112.455 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.35 106.9 9.33 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.52 -12.45 15.28 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -47.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.155 1.382 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.361 0.5 OUTLIER -127.55 6.43 6.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.934 0.894 . . . . 0.0 110.402 178.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 63.4 mttm 64.27 32.71 12.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 131.119 3.768 . . . . 0.0 109.011 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -73.4 124.58 26.05 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 129.362 3.065 . . . . 0.0 112.52 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -107.62 111.12 23.19 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -105.61 135.16 47.53 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.48 132.65 66.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 125.535 1.534 . . . . 0.0 107.164 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 m -128.46 104.5 7.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.598 1.559 . . . . 0.0 108.221 178.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 117.8 -1.095 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.21 -169.96 12.04 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 119.421 1.009 . . . . 0.0 113.055 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -115.42 142.37 46.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.778 1.631 . . . . 0.0 109.891 168.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.22 119.3 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.336 1.054 . . . . 0.0 111.77 -169.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -83.29 152.54 25.09 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -143.56 138.87 29.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.976 1.31 . . . . 0.0 109.764 -177.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tt -149.92 120.71 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.348 1.459 . . . . 0.0 109.608 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.87 164.44 16.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 0.0 109.622 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -126.44 122.13 34.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.307 1.443 . . . . 0.0 110.276 162.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.66 156.0 23.95 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.092 0.853 . . . . 0.0 113.032 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -45.91 -63.79 0.89 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 p -98.05 -34.61 10.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.736 1.615 . . . . 0.0 110.022 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -125.72 141.41 52.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.892 1.277 . . . . 0.0 109.668 -160.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -127.49 -179.34 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 154.35 10.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.015 0.817 . . . . 0.0 112.935 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.93 154.35 49.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.866 1.667 . . . . 0.0 108.643 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -168.05 175.03 6.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.601 1.56 . . . . 0.0 109.825 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -131.68 164.24 26.37 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.912 1.685 . . . . 0.0 109.951 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 p -135.04 162.69 31.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 109.899 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -134.86 120.57 19.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.956 1.702 . . . . 0.0 108.69 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.29 147.77 42.27 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.218 1.407 . . . . 0.0 110.661 -162.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 m -84.89 -24.07 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.842 1.657 . . . . 0.0 108.952 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.51 162.02 39.22 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.593 1.957 . . . . 0.0 109.534 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.57 59.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.302 1.441 . . . . 0.0 110.717 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.12 -32.84 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.148 1.379 . . . . 0.0 110.659 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -61.46 -52.1 65.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.664 1.586 . . . . 0.0 109.895 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.2 66.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.223 1.409 . . . . 0.0 110.601 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -51.62 -40.91 60.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.884 1.673 . . . . 0.0 108.767 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -69.97 -46.69 64.7 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.92 -50.55 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.092 1.757 . . . . 0.0 108.967 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -42.5 -51.5 5.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.763 1.225 . . . . 0.0 110.859 -172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -68.59 -35.1 76.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.81 -42.95 18.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.404 1.082 . . . . 0.0 108.864 -175.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' CD1' HD12 ' A' ' 6' ' ' LEU . 45.8 t80 -56.17 -63.71 1.1 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.261 1.024 . . . . 0.0 111.792 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.32 61.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.091 1.356 . . . . 0.0 110.739 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.44 -22.03 66.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 110.201 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -74.52 -25.43 59.34 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.536 1.935 . . . . 0.0 109.619 170.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -93.2 -12.09 31.09 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.34 1.456 . . . . 0.0 110.246 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.76 76.36 0.6 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.051 0.834 . . . . 0.0 113.026 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.85 144.05 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.887 1.675 . . . . 0.0 108.992 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -148.17 46.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.644 1.977 . . . . 0.0 109.543 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 -136.31 6.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.103 0.858 . . . . 0.0 113.019 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -146.55 151.82 37.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.945 1.698 . . . . 0.0 108.784 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -120.22 131.93 55.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.438 1.095 . . . . 0.0 111.672 -160.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -129.12 131.35 47.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 109.859 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.8 138.35 42.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.224 1.01 . . . . 0.0 111.721 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -135.09 124.62 25.01 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.675 1.99 . . . . 0.0 109.611 171.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.94 -11.42 59.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.595 1.958 . . . . 0.0 109.566 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.6 -53.48 23.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.155 1.382 . . . . 0.0 110.547 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -123.6 27.91 7.19 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.784 1.634 . . . . 0.0 109.924 163.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 49.83 43.45 24.89 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 t -91.13 145.72 24.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.606 1.562 . . . . 0.0 109.986 -170.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -112.99 117.61 32.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.743 1.217 . . . . 0.0 110.819 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -105.13 128.25 53.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.738 1.615 . . . . 0.0 109.889 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -108.59 132.01 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.791 1.636 . . . . 0.0 108.914 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.3 m -120.96 118.03 28.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.67 1.588 . . . . 0.0 109.947 168.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.257 1.453 0 C-N-CA 128.723 2.809 . . . . 0.0 108.772 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttm . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.59 -175.54 38.17 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.031 -1.628 . . . . 0.0 109.031 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -109.87 143.49 39.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.73 160.4 38.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.977 0.911 . . . . 0.0 110.807 -177.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -124.83 125.74 44.48 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.566 0.346 . . . . 0.0 110.465 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -120.68 109.49 15.27 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 119.977 -1.702 . . . . 0.0 110.967 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.64 132.1 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 127.333 2.253 . . . . 0.0 111.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.91 129.45 55.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.304 2.242 . . . . 0.0 108.289 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -119.79 87.74 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.94 178.41 51.11 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 125.039 1.304 . . . . 0.0 111.64 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.18 -50.07 73.98 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.541 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 t -124.14 -17.68 6.12 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.087 0.955 . . . . 0.0 112.897 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 tp -108.0 128.08 54.34 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.665 1.186 . . . . 0.0 114.138 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -114.89 157.92 22.68 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.87 137.59 4.64 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.84 128.06 15.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.379 1.072 . . . . 0.0 108.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -134.52 168.12 19.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.513 0.673 . . . . 0.0 110.12 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.0 t -145.52 141.19 28.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -148.87 162.03 40.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.758 0.423 . . . . 0.0 110.596 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -120.99 133.17 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 127.511 2.325 . . . . 0.0 105.493 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 156.15 46.66 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.776 0.798 . . . . 0.0 110.44 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.88 -44.46 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.137 1.375 . . . . 0.0 111.888 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -142.08 160.31 40.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 109.493 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.16 72.08 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.504 0.722 . . . . 0.0 111.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.85 73.8 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.545 1.066 . . . . 0.0 111.023 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.5 m -68.64 -34.29 75.48 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.933 -1.105 . . . . 0.0 109.611 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.66 57.84 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.307 1.043 . . . . 0.0 110.766 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.67 -32.53 73.61 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.671 1.588 . . . . 0.0 111.05 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.8 -52.66 34.47 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 120.552 -1.342 . . . . 0.0 109.608 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.9 -31.93 55.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.028 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 120.41 1.459 . . . . 0.0 109.168 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -77.84 -50.02 13.11 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 118.855 0.752 . . . . 0.0 110.511 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.58 -51.49 69.27 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -66.78 -50.85 61.37 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 119.674 1.124 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.2 94.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.015 -0.428 . . . . 0.0 111.803 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.39 -39.83 92.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 118.618 0.645 . . . . 0.0 110.642 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.68 -27.01 68.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.873 0.869 . . . . 0.0 110.33 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -83.78 3.46 33.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.442 2.297 . . . . 0.0 111.072 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.14 39.91 88.28 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 125.496 1.522 . . . . 0.0 115.997 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.02 131.44 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -139.62 65.48 1.43 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.74 -177.84 25.89 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 121.606 0.559 . . . . 0.0 113.102 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.58 149.65 26.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.381 2.272 . . . . 0.0 109.615 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -110.97 150.61 29.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.374 1.07 . . . . 0.0 111.618 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -140.09 159.2 42.72 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.965 2.106 . . . . 0.0 106.409 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.79 145.73 50.05 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.67 101.25 5.82 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.432 2.293 . . . . 0.0 108.142 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.7 -11.03 22.49 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.17 -52.16 64.21 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 120.07 1.305 . . . . 0.0 111.386 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -127.22 13.18 7.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.197 0.999 . . . . 0.0 109.036 177.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.286 31.3 mttm 61.85 48.54 5.32 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 129.697 3.199 . . . . 0.0 107.629 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 m -75.51 136.73 40.61 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -121.77 120.05 33.49 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 m -118.25 138.98 51.98 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.3 t -129.53 136.33 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.95 112.76 15.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.146 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.19 40.74 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 119.821 1.191 . . . . 0.0 111.43 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -97.0 143.8 27.51 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -130.08 128.26 41.53 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.308 1.043 . . . . 0.0 109.652 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -101.9 128.61 48.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.3 109.46 14.95 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.4 -1.438 . . . . 0.0 111.806 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.75 130.81 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.681 2.393 . . . . 0.0 111.615 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.63 140.72 50.16 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 127.261 2.225 . . . . 0.0 111.564 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -117.42 118.02 31.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.75 -160.92 33.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.95 -52.11 39.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.688 1.244 . . . . 0.0 107.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 t -124.3 -23.96 4.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.375 1.07 . . . . 0.0 113.058 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -99.5 130.11 45.73 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.739 1.216 . . . . 0.0 112.54 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.1 145.5 39.65 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.102 1.761 . . . . 0.0 110.149 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.97 154.76 25.73 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 123.749 0.69 . . . . 0.0 111.883 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.61 150.65 27.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 117.945 0.872 . . . . 0.0 112.084 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -147.95 170.94 16.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.054 0.454 . . . . 0.0 110.078 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -143.16 160.29 40.71 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.779 2.032 . . . . 0.0 107.056 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -166.68 166.39 15.98 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.35 1.06 . . . . 0.0 108.169 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -128.08 122.56 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 147.66 44.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.99 0.9 . . . . 0.0 111.423 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 m -71.22 -38.4 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -140.69 158.68 43.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.713 2.005 . . . . 0.0 109.214 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -19.03 59.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.0 63.12 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 121.389 1.904 . . . . 0.0 112.146 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -28.91 70.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.648 -0.657 . . . . 0.0 110.856 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.56 61.99 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.904 1.282 . . . . 0.0 109.401 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.81 -32.97 74.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 108.416 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -72.43 -51.22 21.26 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.313 1.445 . . . . 0.0 109.786 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -32.02 52.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 123.713 0.805 . . . . 0.0 111.437 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.75 -44.77 73.92 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.594 0.758 . . . . 0.0 109.108 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.19 -49.33 14.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.562 0.619 . . . . 0.0 112.128 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.93 -52.35 65.86 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.81 -44.29 66.87 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.262 1.392 . . . . 0.0 111.683 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.68 93.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.403 0.681 . . . . 0.0 110.247 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -70.56 -29.47 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.316 -1.49 . . . . 0.0 111.225 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.37 -18.97 63.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.14 -5.05 56.9 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 129.39 3.076 . . . . 0.0 108.215 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.35 39.87 97.35 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 127.395 2.426 . . . . 0.0 115.016 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -92.3 138.92 18.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.14 65.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.84 -174.46 13.46 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.9 1.238 . . . . 0.0 113.262 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.04 149.98 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.861 2.464 . . . . 0.0 110.02 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -110.6 150.84 28.39 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.101 0.96 . . . . 0.0 113.107 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 p -137.03 155.06 50.16 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 127.507 2.323 . . . . 0.0 105.683 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -139.8 142.45 36.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.47 105.85 8.37 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.043 1.737 . . . . 0.0 107.241 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.86 -11.08 24.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.81 72.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.082 1.353 . . . . 0.0 110.41 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -126.78 9.45 6.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.239 1.416 . . . . 0.0 109.081 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mttm 57.21 40.71 27.82 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 130.116 3.367 . . . . 0.0 108.207 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 m -82.38 115.64 21.51 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.814 1.246 . . . . 0.0 111.058 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -97.01 130.0 44.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 102.016 -3.327 . . . . 0.0 102.016 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -126.48 142.38 51.56 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.224 0.61 . . . . 0.0 109.802 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.55 139.11 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 126.352 1.861 . . . . 0.0 109.007 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -122.96 104.03 8.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.108 1.363 . . . . 0.0 108.335 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.381 1.472 . . . . 0.0 107.919 178.698 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.468 0.436 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.39 179.7 42.36 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -104.61 138.11 41.44 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.38 133.23 34.59 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.811 0.844 . . . . 0.0 109.145 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -101.77 134.04 45.56 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 111.089 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.09 112.93 18.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.31 131.71 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.46 2.304 . . . . 0.0 108.886 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.25 123.32 43.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.206 1.802 . . . . 0.0 108.434 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 ' OD1' ' HE2' ' A' ' 14' ' ' LYS . 68.9 m-80 -97.08 145.9 25.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.98 171.5 22.72 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -57.79 -50.45 73.23 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 122.392 -0.475 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -124.04 4.76 8.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.612 1.565 . . . . 0.0 112.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -126.24 143.54 51.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.173 1.351 . . . . 0.0 111.715 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 9' ' ' ASN . 83.5 mttt -142.63 149.38 38.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.544 1.538 . . . . 0.0 108.927 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.98 147.49 14.66 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 107.959 -2.057 . . . . 0.0 107.959 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.24 116.08 6.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.617 1.208 . . . . 0.0 109.151 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -125.13 174.04 8.33 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.592 0.357 . . . . 0.0 111.07 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -147.12 158.52 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -159.72 163.96 34.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -129.38 137.69 51.09 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.199 -3.26 . . . . 0.0 102.199 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.34 152.81 47.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 119.606 1.094 . . . . 0.0 111.09 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -53.56 -46.01 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.585 1.554 . . . . 0.0 110.609 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.92 158.69 43.66 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.0 1.32 . . . . 0.0 108.221 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -19.48 65.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.748 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.79 83.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.593 1.542 . . . . 0.0 109.151 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -61.54 -39.56 91.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.776 0.83 . . . . 0.0 109.824 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.0 -42.25 99.8 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.99 1.268 . . . . 0.0 108.902 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.15 -52.75 53.25 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.507 0.323 . . . . 0.0 110.483 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -33.7 59.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.565 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -41.56 77.95 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.442 1.019 . . . . 0.0 110.123 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -75.53 -50.05 16.83 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.278 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -52.12 50.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.93 -47.04 86.45 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.281 0.946 . . . . 0.0 112.344 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -49.06 37.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.0 -33.72 76.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.698 1.136 . . . . 0.0 111.859 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.68 -16.7 63.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.332 1.053 . . . . 0.0 110.282 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -86.58 -5.4 59.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.986 2.114 . . . . 0.0 108.837 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.93 40.7 16.28 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-O 117.839 -1.534 . . . . 0.0 114.663 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.66 136.31 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -139.69 65.64 1.42 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.249 1.82 . . . . 0.0 107.82 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.97 -164.3 10.24 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.687 1.137 . . . . 0.0 114.158 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -98.07 146.06 25.92 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.601 1.16 . . . . 0.0 111.785 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -112.09 143.62 42.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.547 1.539 . . . . 0.0 114.706 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -125.73 166.38 16.89 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.647 1.979 . . . . 0.0 108.078 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -135.09 136.23 41.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.89 101.0 6.14 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.287 2.635 . . . . 0.0 106.439 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.37 -14.4 18.46 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.35 76.58 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.732 1.605 . . . . 0.0 112.548 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 13.39 7.1 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.889 1.275 . . . . 0.0 108.338 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.1 mttm 54.78 47.02 23.34 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.603 2.361 . . . . 0.0 105.669 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -76.77 115.31 16.43 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 131.628 3.971 . . . . 0.0 111.64 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.63 134.88 47.05 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -128.77 142.46 50.98 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.48 138.6 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 125.432 1.493 . . . . 0.0 109.991 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.4 m -113.54 103.56 11.39 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.831 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 119.512 -0.28 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.57 -179.59 46.67 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -95.12 143.28 26.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -131.47 140.69 49.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.696 -1.965 . . . . 0.0 105.696 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.34 133.46 47.23 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.112 0.869 . . . . 0.0 109.79 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -121.64 108.86 14.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.338 -1.476 . . . . 0.0 109.856 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 129.139 2.976 . . . . 0.0 112.056 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.92 140.27 49.95 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.686 1.995 . . . . 0.0 108.927 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -126.17 104.18 8.1 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.674 -2.713 . . . . 0.0 103.674 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.96 -175.92 34.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -62.37 -50.47 71.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -123.38 -21.5 5.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.726 1.61 . . . . 0.0 111.385 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.14 143.23 28.13 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.822 1.249 . . . . 0.0 111.165 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -143.12 145.18 32.61 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.27 152.8 19.94 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.03 145.52 25.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.618 0.767 . . . . 0.0 109.609 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 -179.89 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.47 150.81 35.29 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -141.97 121.51 13.3 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.43 111.58 22.52 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -179.67 4.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.532 1.133 . . . . 0.0 110.261 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.53 -44.92 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 123.715 0.806 . . . . 0.0 110.434 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.11 164.92 31.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.77 1.628 . . . . 0.0 108.136 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.03 69.79 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.482 0.713 . . . . 0.0 112.916 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.55 68.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.964 1.256 . . . . 0.0 111.227 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 m -70.36 -36.19 74.01 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 121.202 -0.936 . . . . 0.0 109.135 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.93 66.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.631 0.773 . . . . 0.0 109.978 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.49 -31.15 70.2 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.471 1.109 . . . . 0.0 110.986 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.62 -53.1 53.02 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.407 1.083 . . . . 0.0 109.659 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.37 -30.67 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 125.057 1.343 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -53.81 -44.14 69.94 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.971 0.908 . . . . 0.0 109.275 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -77.58 -50.04 13.37 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.69 -0.671 . . . . 0.0 112.122 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.97 -52.6 62.38 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -63.17 -50.23 71.18 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 120.603 1.547 . . . . 0.0 112.021 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.33 70.46 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.51 -35.83 74.93 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.198 0.908 . . . . 0.0 112.491 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.4 -26.79 63.86 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.786 1.634 . . . . 0.0 110.513 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -83.72 12.35 6.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.737 2.415 . . . . 0.0 110.612 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.67 38.05 93.22 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 125.227 1.394 . . . . 0.0 114.932 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.39 140.75 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 118.546 1.173 . . . . 0.0 114.136 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.47 93.11 2.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.284 -2.487 . . . . 0.0 104.284 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.26 -177.77 48.46 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 121.686 2.039 . . . . 0.0 115.366 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.05 150.15 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 129.256 3.022 . . . . 0.0 110.574 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -111.35 144.09 41.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.258 1.023 . . . . 0.0 113.217 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -131.41 161.19 33.03 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 127.084 2.154 . . . . 0.0 105.905 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -139.93 146.43 39.18 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.94 97.01 4.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 127.218 2.207 . . . . 0.0 108.082 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.98 -18.74 63.58 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.24 70.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.056 0.942 . . . . 0.0 112.259 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -127.45 -3.34 6.13 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.829 1.652 . . . . 0.0 110.42 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.285 81.5 mttt 66.27 34.63 6.41 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 131.077 3.751 . . . . 0.0 108.02 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -85.11 115.43 22.91 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 126.273 1.829 . . . . 0.0 113.278 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -94.76 126.35 40.01 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 102.494 -3.151 . . . . 0.0 102.494 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.6 m -123.23 141.53 51.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.764 0.711 . . . . 0.0 110.206 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -129.97 138.84 53.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 127.025 2.13 . . . . 0.0 109.013 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -127.51 128.33 45.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.243 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.43 -174.98 45.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 115.96 31.19 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 42.0 m-85 -111.69 133.63 53.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.236 1.814 . . . . 0.0 108.545 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -102.0 134.27 45.49 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.779 0.718 . . . . 0.0 110.846 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.83 107.98 13.39 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.446 0.698 . . . . 0.0 111.673 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tt -124.48 131.99 71.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.679 1.992 . . . . 0.0 111.651 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -118.71 138.85 52.36 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.545 1.138 . . . . 0.0 108.105 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -126.14 91.01 3.29 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.51 0.595 . . . . 0.0 111.18 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.75 176.65 25.14 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.838 1.208 . . . . 0.0 111.859 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -55.22 -50.31 69.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.073 0.949 . . . . 0.0 110.941 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -123.4 -27.45 4.09 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.406 1.082 . . . . 0.0 111.058 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.71 113.84 22.9 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.661 1.584 . . . . 0.0 111.646 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -142.04 157.99 44.28 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.58 151.84 10.84 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.47 127.28 17.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.291 1.436 . . . . 0.0 108.146 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -141.17 179.69 6.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.419 -0.801 . . . . 0.0 111.532 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -130.28 140.59 50.66 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 126.186 1.795 . . . . 0.0 106.287 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -129.85 124.99 34.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 126.321 1.849 . . . . 0.0 112.127 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -128.73 133.87 48.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.81 -177.65 5.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.488 1.515 . . . . 0.0 107.417 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.5 -46.09 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 O-C-N 121.691 -0.631 . . . . 0.0 110.101 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -140.64 159.23 42.65 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.142 1.377 . . . . 0.0 108.989 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.59 -20.13 63.64 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.802 0.728 . . . . 0.0 111.26 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.23 85.69 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.79 -1.194 . . . . 0.0 109.793 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -66.26 -33.24 75.3 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.59 -28.96 56.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.762 2.025 . . . . 0.0 112.671 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.57 -32.79 59.15 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.327 0.967 . . . . 0.0 112.104 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.81 -52.51 36.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -32.96 59.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.017 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.92 -44.37 78.25 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.394 1.078 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -77.11 -49.11 15.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.387 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.31 -51.49 68.65 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.95 -41.95 75.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 119.91 1.232 . . . . 0.0 111.833 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.69 -49.21 32.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 121.928 -0.483 . . . . 0.0 110.85 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.76 -35.85 77.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 120.867 -1.145 . . . . 0.0 111.263 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.65 -23.85 63.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.088 1.755 . . . . 0.0 108.922 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -5.44 58.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.89 1.676 . . . . 0.0 107.85 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.31 31.73 56.65 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 125.683 1.611 . . . . 0.0 114.356 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -84.08 138.47 19.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.48 65.63 1.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.52 -175.0 16.22 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 113.14 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.6 148.69 22.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.843 1.257 . . . . 0.0 109.666 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -111.1 143.69 41.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.37 1.068 . . . . 0.0 113.134 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 p -129.31 170.01 14.15 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 127.084 2.154 . . . . 0.0 108.099 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -140.53 143.16 35.25 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.11 96.11 4.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.607 1.963 . . . . 0.0 106.164 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.78 -22.98 66.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.88 -33.94 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.965 1.257 . . . . 0.0 112.613 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -3.16 6.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.92 1.688 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.263 74.5 mttt 62.54 37.42 13.2 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 130.982 3.713 . . . . 0.0 109.26 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -80.71 116.2 20.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.566 1.946 . . . . 0.0 111.427 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -102.56 111.25 23.47 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 m -109.51 143.12 39.59 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.576 1.15 . . . . 0.0 111.043 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -120.29 138.82 49.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 126.316 1.846 . . . . 0.0 106.637 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 m -126.51 106.71 9.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.484 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 123.662 0.785 . . . . 0.0 109.827 178.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.73 -173.65 46.45 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -96.31 137.2 35.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.62 157.3 46.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.131 1.372 . . . . 0.0 109.237 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -122.02 136.93 54.96 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.245 0.475 . . . . 0.0 111.511 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.49 108.92 13.71 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.833 1.253 . . . . 0.0 109.359 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -122.46 132.67 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.717 2.807 . . . . 0.0 110.467 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.54 139.83 50.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 126.3 1.84 . . . . 0.0 110.53 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -126.55 83.62 2.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.707 1.203 . . . . 0.0 110.69 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.74 167.92 31.29 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -57.29 -49.95 74.47 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.666 -0.902 . . . . 0.0 112.411 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 6.0 t -123.58 10.72 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.084 0.554 . . . . 0.0 112.168 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -129.02 139.27 52.14 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.776 -1.202 . . . . 0.0 109.229 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -142.44 157.0 45.23 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.189 0.995 . . . . 0.0 109.769 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 148.58 10.0 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.69 116.81 6.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.516 1.158 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -130.87 177.02 7.74 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.092 -1.005 . . . . 0.0 111.212 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -138.77 151.41 47.06 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.094 1.357 . . . . 0.0 108.556 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 m -149.09 138.16 21.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.653 0.739 . . . . 0.0 109.474 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -118.42 124.14 46.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.63 165.02 28.54 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.743 0.782 . . . . 0.0 109.522 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 m -57.56 -40.05 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.009 1.324 . . . . 0.0 111.803 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -152.79 162.97 40.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.508 1.123 . . . . 0.0 110.669 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.44 80.33 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.58 78.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.679 0.792 . . . . 0.0 111.261 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -69.53 -35.14 75.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.898 0.879 . . . . 0.0 110.433 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.04 55.41 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.85 0.86 . . . . 0.0 112.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.8 -30.56 45.4 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.069 0.85 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.86 -49.35 70.88 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 121.046 -1.034 . . . . 0.0 109.448 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -33.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.851 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CZ ' ' CE3' ' A' ' 44' ' ' TRP . 1.2 t80 -56.32 -45.08 80.45 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.109 0.868 . . . . 0.0 109.267 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -77.25 -49.15 15.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.423 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -52.24 65.78 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.79 -49.51 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 119.333 0.969 . . . . 0.0 111.449 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -50.47 73.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 117.646 0.203 . . . . 0.0 111.389 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.61 -34.07 77.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.067 -1.021 . . . . 0.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.12 -23.09 63.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.768 0.827 . . . . 0.0 109.57 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -83.3 -4.91 58.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.503 1.921 . . . . 0.0 108.596 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.54 27.56 61.06 Favored Glycine 0 C--N 1.343 0.945 0 C-N-CA 126.519 2.009 . . . . 0.0 115.406 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.65 143.52 12.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -138.75 104.38 5.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.61 178.8 48.21 Favored Glycine 0 N--CA 1.468 0.832 0 CA-C-N 120.4 1.455 . . . . 0.0 112.649 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.03 149.41 21.84 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.49 1.916 . . . . 0.0 110.937 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' ' CZ ' ' A' ' 31' ' ' PHE . 26.4 m95 -111.01 142.79 42.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.76 1.224 . . . . 0.0 114.198 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -133.51 160.08 38.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.719 2.408 . . . . 0.0 107.734 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -139.55 145.45 38.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.087 1.312 . . . . 0.0 113.971 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.29 96.81 4.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.863 2.065 . . . . 0.0 105.989 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.88 -17.7 63.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.805 0.842 . . . . 0.0 112.351 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.45 -28.55 65.4 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.32 1.048 . . . . 0.0 112.092 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 t -127.73 -22.34 3.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.826 1.651 . . . . 0.0 110.382 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.341 89.2 mttt 83.14 29.07 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 1 C-N-CA 133.427 4.691 . . . . 0.0 108.288 -179.854 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.9 m -80.31 127.66 32.64 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.694 1.998 . . . . 0.0 109.651 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -107.77 111.23 23.29 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 103.122 -2.918 . . . . 0.0 103.122 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -103.96 142.37 34.55 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.96 138.48 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -126.34 104.61 8.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 tpp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.95 45.7 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -97.82 135.97 38.81 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -122.12 140.42 52.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.352 1.061 . . . . 0.0 109.155 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -101.43 137.48 39.71 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.126 0.876 . . . . 0.0 109.921 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.59 108.03 13.54 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.064 1.346 . . . . 0.0 111.529 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 tt -124.3 125.49 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 127.31 2.244 . . . . 0.0 108.438 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.84 140.8 49.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.073 1.349 . . . . 0.0 111.608 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -121.18 123.54 42.52 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 172.06 21.92 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 127.361 2.41 . . . . 0.0 107.883 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -57.7 -52.2 66.42 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.252 3.9 t -123.98 -2.09 8.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.854 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.2 mt -115.02 115.95 27.66 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.03 1.332 . . . . 0.0 107.77 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.96 149.4 40.04 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.57 167.45 35.8 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.49 153.54 40.54 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 122.787 0.435 . . . . 0.0 111.078 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -156.35 -174.85 5.13 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.221 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.55 148.01 38.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -141.78 166.52 24.5 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.519 1.528 . . . . 0.0 109.299 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -130.92 149.26 52.63 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 127.248 2.219 . . . . 0.0 107.548 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.98 144.57 26.86 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 119.655 1.116 . . . . 0.0 109.188 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.04 -32.57 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -140.05 158.02 44.73 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.69 63.9 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.266 -0.896 . . . . 0.0 108.923 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.09 64.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.425 1.49 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -76.81 -33.68 57.96 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.182 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.86 74.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 32.9 tt0 -56.13 -35.81 67.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.992 1.717 . . . . 0.0 112.16 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.58 -52.68 9.25 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.785 0.834 . . . . 0.0 110.343 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.279 0.7 OUTLIER -59.64 -31.77 47.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 117.487 -1.244 . . . . 0.0 110.471 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.3 m-30 -55.39 -44.2 75.89 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.688 1.586 . . . . 0.0 110.171 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.22 -49.61 63.88 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 118.511 0.596 . . . . 0.0 110.517 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.73 -50.39 74.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.734 0.814 . . . . 0.0 111.314 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.63 -54.35 24.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.734 1.213 . . . . 0.0 112.943 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.21 72.24 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.686 -0.634 . . . . 0.0 111.356 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -55.98 -28.97 59.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.673 -0.68 . . . . 0.0 112.519 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.22 -29.35 65.64 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.164 0.986 . . . . 0.0 111.385 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -84.29 5.39 26.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.932 1.293 . . . . 0.0 111.41 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.24 38.2 92.91 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 120.394 1.452 . . . . 0.0 111.26 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.04 141.36 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -139.22 126.27 21.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.731 2.812 . . . . 0.0 104.112 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.75 173.68 26.48 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 121.82 2.1 . . . . 0.0 111.512 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -89.65 149.42 22.81 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.82 1.648 . . . . 0.0 109.549 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -111.0 127.4 55.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.97 156.09 35.46 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.1 2.16 . . . . 0.0 106.028 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -139.4 146.9 40.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.928 1.24 . . . . 0.0 112.893 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.53 97.87 5.49 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.631 2.372 . . . . 0.0 106.62 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.01 -25.05 64.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.52 68.28 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.467 0.707 . . . . 0.0 112.721 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -126.81 0.49 6.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.788 1.635 . . . . 0.0 111.016 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.269 37.9 mttp 59.21 24.73 13.18 Favored 'General case' 0 N--CA 1.436 -1.137 1 C-N-CA 132.07 4.148 . . . . 0.0 110.672 -179.268 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -75.05 127.08 32.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.849 1.66 . . . . 0.0 109.971 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.49 110.73 21.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.533 -2.766 . . . . 0.0 103.533 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.0 p -100.07 142.2 31.87 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.662 1.185 . . . . 0.0 111.129 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 t -128.13 138.81 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.78 1.632 . . . . 0.0 107.436 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -127.27 104.32 7.88 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.562 0.745 . . . . 0.0 110.832 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.45 -150.67 5.65 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.455 1.025 . . . . 0.0 112.999 167.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -112.6 154.79 25.47 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.808 1.643 . . . . 0.0 110.006 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -142.92 133.12 24.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.222 1.009 . . . . 0.0 111.784 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -92.57 149.72 21.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 150.46 45.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.911 1.284 . . . . 0.0 109.701 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -155.84 121.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.272 1.429 . . . . 0.0 109.449 165.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -86.65 143.47 27.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.831 1.252 . . . . 0.0 109.608 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -125.64 96.12 4.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.247 1.419 . . . . 0.0 110.186 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.24 178.88 18.85 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.099 0.857 . . . . 0.0 112.969 169.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -45.4 -53.64 8.4 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -139.28 28.31 2.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.819 1.648 . . . . 0.0 110.019 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -135.43 105.11 6.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.967 1.307 . . . . 0.0 109.758 -171.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.33 -174.05 3.12 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.69 139.46 3.88 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.11 0.862 . . . . 0.0 113.014 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.08 166.17 12.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.928 1.691 . . . . 0.0 108.696 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -169.39 162.13 10.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.889 1.676 . . . . 0.0 110.03 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -120.33 140.17 51.67 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.778 1.631 . . . . 0.0 109.953 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.51 155.31 43.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.673 1.589 . . . . 0.0 109.876 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -130.66 152.6 49.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.927 1.691 . . . . 0.0 108.71 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.9 26.67 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 110.575 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -89.19 -38.17 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.782 1.633 . . . . 0.0 109.07 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -133.82 155.8 49.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.62 1.968 . . . . 0.0 109.558 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.77 43.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.334 1.454 . . . . 0.0 110.576 -168.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.93 90.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.168 1.387 . . . . 0.0 110.665 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -48.36 -61.25 2.1 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.705 1.602 . . . . 0.0 109.932 167.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -47.07 81.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.111 1.364 . . . . 0.0 110.659 -173.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 8.7 tt0 -51.23 -43.16 61.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.933 1.693 . . . . 0.0 108.734 178.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -76.75 -29.28 56.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -42.21 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.921 1.688 . . . . 0.0 108.991 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.1 m-30 -51.44 -37.52 49.1 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.628 1.171 . . . . 0.0 110.976 -174.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -85.02 -20.12 30.96 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.08 -61.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.306 1.042 . . . . 0.0 108.876 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -46.14 -50.99 14.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.203 1.001 . . . . 0.0 111.815 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.93 -42.48 39.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.145 1.378 . . . . 0.0 110.629 -167.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -46.41 -35.87 5.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.356 1.462 . . . . 0.0 110.209 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.55 -22.32 64.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.626 1.97 . . . . 0.0 109.584 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.84 -13.89 19.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.313 1.445 . . . . 0.0 110.269 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.78 75.27 1.22 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.096 0.855 . . . . 0.0 113.033 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m -122.45 143.13 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.931 1.692 . . . . 0.0 109.13 -172.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -147.93 61.38 1.12 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.607 1.963 . . . . 0.0 109.547 167.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.01 -140.59 5.98 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.085 0.85 . . . . 0.0 112.921 -163.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.75 139.72 19.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.94 1.696 . . . . 0.0 108.719 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.53 121.27 44.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.358 1.063 . . . . 0.0 111.74 -160.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.2 m -126.8 119.25 26.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.763 1.625 . . . . 0.0 109.996 -170.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -98.77 122.36 41.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.136 0.974 . . . . 0.0 111.796 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -98.86 116.04 30.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.655 1.982 . . . . 0.0 109.545 161.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.47 -12.3 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.686 1.995 . . . . 0.0 109.495 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.4 -66.09 0.59 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.163 1.385 . . . . 0.0 110.698 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -101.25 19.13 18.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.732 1.613 . . . . 0.0 109.929 169.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.7 mttt 47.51 42.4 14.54 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.416 ' HG1' ' CG2' ' A' ' 50' ' ' THR . 35.8 m -86.75 131.68 34.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.78 1.632 . . . . 0.0 110.03 -170.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -99.76 100.88 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.701 1.201 . . . . 0.0 110.834 165.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 m -91.19 119.32 31.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.793 1.637 . . . . 0.0 109.93 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -112.28 125.15 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.847 1.659 . . . . 0.0 109.014 -175.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -113.51 135.92 53.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.695 1.598 . . . . 0.0 109.932 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.736 2.814 . . . . 0.0 108.694 161.532 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.0 165.21 33.61 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -77.91 143.58 37.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -130.5 138.54 50.3 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.59 138.77 36.21 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.99 110.59 16.0 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 120.774 -1.204 . . . . 0.0 110.911 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 tt -122.67 126.19 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.856 2.462 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.27 139.36 51.44 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.34 1.056 . . . . 0.0 109.75 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -124.03 67.72 1.05 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.803 0.841 . . . . 0.0 109.264 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.06 43.79 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.62 -49.33 75.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.037 -1.272 . . . . 0.0 111.791 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 0.5 OUTLIER -121.8 -9.08 8.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 137.0 52.45 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -142.44 166.11 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.882 0.873 . . . . 0.0 110.421 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.38 170.28 42.75 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -152.04 138.82 18.87 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.996 0.918 . . . . 0.0 108.964 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -142.94 173.24 11.73 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.11 142.87 49.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -144.92 163.26 34.67 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.54 143.34 50.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.462 2.305 . . . . 0.0 108.132 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.32 145.17 18.99 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.102 1.319 . . . . 0.0 110.2 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.0 -43.88 93.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.225 1.01 . . . . 0.0 111.126 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -139.96 158.3 44.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.24 64.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.807 -0.616 . . . . 0.0 109.505 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.47 65.75 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 110.598 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -67.81 -36.95 81.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.495 0.718 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.58 89.46 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.353 0.661 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.24 -40.87 68.14 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 111.003 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.67 -42.29 51.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.26 0.624 . . . . 0.0 111.425 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -32.99 60.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 CA-C-O 118.166 -0.921 . . . . 0.0 109.624 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -56.18 -44.83 79.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 119.988 1.267 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -66.59 -49.24 66.99 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.175 0.443 . . . . 0.0 110.164 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.57 -51.09 71.37 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.817 0.847 . . . . 0.0 111.881 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.23 -54.24 49.19 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.995 1.318 . . . . 0.0 111.514 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.65 95.66 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.202 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.18 -33.2 70.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.81 -26.47 68.64 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.751 0.705 . . . . 0.0 110.099 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.45 3.4 32.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.325 1.85 . . . . 0.0 110.101 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.57 36.61 88.48 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 126.989 2.233 . . . . 0.0 114.074 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.28 142.96 13.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.74 95.28 2.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.58 -176.5 40.64 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.518 1.963 . . . . 0.0 113.909 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -99.87 149.81 23.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.098 1.759 . . . . 0.0 110.4 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -105.37 133.25 50.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -128.97 157.11 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.843 2.457 . . . . 0.0 106.199 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -139.48 141.74 37.36 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.233 0.924 . . . . 0.0 111.497 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.85 95.41 4.91 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 102.971 -2.974 . . . . 0.0 102.971 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.9 -29.68 67.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.551 1.14 . . . . 0.0 113.619 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.16 65.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.264 1.026 . . . . 0.0 113.288 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -125.84 -1.49 7.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.306 1.843 . . . . 0.0 111.265 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.286 90.5 mttt 61.62 22.2 12.74 Favored 'General case' 0 N--CA 1.435 -1.191 1 C-N-CA 132.838 4.455 . . . . 0.0 110.112 -179.699 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -74.64 122.76 23.7 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.325 2.25 . . . . 0.0 111.706 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.15 110.96 23.23 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.176 -3.638 . . . . 0.0 101.176 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -105.83 134.24 49.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.965 1.306 . . . . 0.0 111.217 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.64 134.41 63.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 126.007 1.723 . . . . 0.0 107.449 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -127.76 118.4 23.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.395 1.478 . . . . 0.0 107.352 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-N 118.49 0.586 . . . . 0.0 110.325 179.172 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.44 -173.07 43.49 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -87.98 143.66 26.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.052 1.341 . . . . 0.0 107.618 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -130.8 127.99 39.78 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -101.81 133.81 45.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.583 1.083 . . . . 0.0 110.646 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.92 109.54 15.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.312 1.845 . . . . 0.0 112.514 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 tt -122.63 127.57 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.278 2.231 . . . . 0.0 109.464 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.03 139.3 51.39 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.631 1.172 . . . . 0.0 108.032 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -125.76 64.76 1.19 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.38 162.76 49.51 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -64.69 -32.79 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.287 -0.537 . . . . 0.0 111.594 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -121.29 -16.38 7.92 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.63 138.33 52.13 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 124.408 1.083 . . . . 0.0 109.77 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -142.17 144.9 33.65 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.35 171.21 44.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -148.14 131.17 16.28 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.998 1.319 . . . . 0.0 109.35 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 t -136.41 174.6 10.44 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.53 0.732 . . . . 0.0 110.581 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -145.17 145.99 31.58 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.982 1.313 . . . . 0.0 107.604 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -152.7 166.43 32.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.314 1.446 . . . . 0.0 109.988 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -111.87 148.76 32.95 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.153 2.181 . . . . 0.0 108.837 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.58 144.53 35.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.127 0.971 . . . . 0.0 108.496 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.9 -43.23 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.461 0.704 . . . . 0.0 110.64 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -152.44 159.23 43.4 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 128.423 2.689 . . . . 0.0 105.854 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -21.39 33.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.294 1.038 . . . . 0.0 113.767 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.91 70.53 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.979 1.263 . . . . 0.0 111.945 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -78.25 -37.75 44.47 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.574 -0.704 . . . . 0.0 109.656 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.99 75.71 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.931 0.892 . . . . 0.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.89 -36.03 64.73 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.437 -0.789 . . . . 0.0 111.948 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.62 -49.53 18.2 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.582 0.753 . . . . 0.0 109.643 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.81 -33.21 44.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.085 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -56.53 -44.48 80.86 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.974 1.261 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -71.71 -48.85 44.4 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.269 0.94 . . . . 0.0 110.184 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -57.92 -50.8 72.12 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.611 0.764 . . . . 0.0 112.38 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -65.79 -53.99 32.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.743 1.217 . . . . 0.0 110.873 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.68 75.7 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.957 0.344 . . . . 0.0 110.894 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -56.89 -32.91 66.37 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.277 0.49 . . . . 0.0 111.889 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.89 -24.6 67.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.444 0.565 . . . . 0.0 111.503 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.88 1.44 43.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.381 2.273 . . . . 0.0 110.131 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.55 95.5 Favored Glycine 0 C--N 1.347 1.143 0 O-C-N 120.659 -1.276 . . . . 0.0 112.701 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.74 141.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 119.322 3.082 . . . . 0.0 119.322 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -139.73 87.81 2.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.33 2.652 . . . . 0.0 106.956 175.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.9 -172.53 33.38 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 120.704 1.593 . . . . 0.0 115.884 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.07 149.67 21.73 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.613 2.765 . . . . 0.0 110.801 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -111.46 134.22 53.19 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 m -125.09 156.68 37.89 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.21 2.604 . . . . 0.0 105.736 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -139.32 143.64 37.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.789 1.177 . . . . 0.0 112.444 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 96.2 4.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.802 2.441 . . . . 0.0 105.577 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.07 -27.86 67.33 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.77 66.55 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.613 0.765 . . . . 0.0 112.424 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.19 7.43 5.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.014 1.726 . . . . 0.0 110.674 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.265 46.5 mttt 52.27 31.85 9.95 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 130.095 3.358 . . . . 0.0 109.932 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -76.19 116.35 16.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 128.376 2.671 . . . . 0.0 111.295 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.09 110.85 23.4 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 m -105.02 142.33 35.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.662 0.785 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.02 137.59 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 126.42 1.888 . . . . 0.0 106.011 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 p -128.0 107.58 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.145 1.378 . . . . 0.0 110.668 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.372 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 118.087 -0.958 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.78 -171.77 24.14 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 119.907 1.23 . . . . 0.0 111.845 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.39 141.7 30.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 104.332 -2.469 . . . . 0.0 104.332 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -129.48 128.24 42.48 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -101.08 131.47 46.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.388 0.995 . . . . 0.0 110.06 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.87 115.59 23.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.41 -1.431 . . . . 0.0 113.142 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -122.65 132.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.689 2.396 . . . . 0.0 110.075 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.58 136.28 53.95 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.547 1.139 . . . . 0.0 109.811 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -115.19 70.18 0.74 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.98 159.3 45.41 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -63.93 -40.42 96.43 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.742 1.217 . . . . 0.0 110.629 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -121.33 -17.15 7.72 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -128.81 139.27 52.25 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.36 0.982 . . . . 0.0 109.58 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -142.54 161.43 38.08 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.335 0.654 . . . . 0.0 110.928 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.01 32.68 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.96 136.55 30.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -143.51 173.36 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 118.729 0.695 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -145.39 141.23 28.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -149.76 167.54 26.2 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 108.741 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -124.95 149.15 47.96 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.257 1.823 . . . . 0.0 108.3 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.77 39.52 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.705 1.139 . . . . 0.0 111.293 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.62 -45.95 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.274 1.029 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -147.71 158.79 44.18 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 127.308 2.243 . . . . 0.0 106.124 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -19.73 56.95 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.371 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.73 66.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.187 1.812 . . . . 0.0 110.905 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 m -65.48 -36.72 84.73 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.117 0.967 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.87 68.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.014 0.526 . . . . 0.0 109.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.11 -34.56 60.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.386 1.074 . . . . 0.0 111.048 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.67 -51.24 14.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.638 1.175 . . . . 0.0 108.754 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.61 49.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.154 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -56.34 -45.68 80.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.105 1.321 . . . . 0.0 111.928 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -75.21 -44.77 44.51 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 118.519 0.6 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -57.78 -50.45 73.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.389 0.676 . . . . 0.0 110.888 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -67.06 -54.79 18.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.754 0.821 . . . . 0.0 111.879 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.89 71.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 119.303 -0.38 . . . . 0.0 111.508 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.97 -29.25 59.95 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.263 0.625 . . . . 0.0 111.63 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.64 -24.71 67.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.091 0.86 . . . . 0.0 111.385 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -83.69 3.95 30.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.362 1.465 . . . . 0.0 108.803 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.13 38.66 96.5 Favored Glycine 0 C--N 1.343 0.955 0 O-C-N 120.603 -1.311 . . . . 0.0 111.293 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.56 142.96 13.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -139.3 106.44 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.166 3.387 . . . . 0.0 104.56 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.89 176.93 41.15 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.911 2.141 . . . . 0.0 114.075 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -85.54 149.28 25.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 128.551 2.74 . . . . 0.0 110.917 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -111.62 146.58 37.18 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.896 1.279 . . . . 0.0 113.65 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.1 m -136.63 156.49 48.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.846 2.459 . . . . 0.0 106.429 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -139.23 141.78 37.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.498 1.045 . . . . 0.0 112.641 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.88 97.08 4.69 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 129.471 3.108 . . . . 0.0 108.018 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.2 -24.45 59.13 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.47 69.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.742 1.155 . . . . 0.0 112.87 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.56 9.48 6.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.332 1.853 . . . . 0.0 110.245 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.269 68.9 mttt 52.35 33.95 13.96 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 130.776 3.63 . . . . 0.0 109.296 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -75.02 115.34 14.54 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 129.187 2.995 . . . . 0.0 111.613 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.11 131.12 53.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 102.109 -3.293 . . . . 0.0 102.109 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.0 m -128.29 142.68 51.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.996 0.918 . . . . 0.0 110.459 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.37 138.59 53.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 126.987 2.115 . . . . 0.0 108.329 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.1 p -126.98 109.39 11.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.944 1.698 . . . . 0.0 109.707 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.981 0.913 . . . . 0.0 109.57 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.47 -167.77 28.63 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -107.02 143.87 34.49 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.621 0.768 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -133.6 137.65 45.57 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.909 1.683 . . . . 0.0 106.937 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -101.07 135.87 41.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.794 0.724 . . . . 0.0 110.408 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.23 109.04 14.48 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.194 1.398 . . . . 0.0 112.113 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tt -123.46 131.85 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 127.773 2.429 . . . . 0.0 110.38 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.05 140.82 49.41 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.943 2.097 . . . . 0.0 111.825 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -126.48 107.64 10.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.615 1.566 . . . . 0.0 109.906 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.7 -175.28 19.95 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.103 1.335 . . . . 0.0 111.812 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.66 -50.21 39.16 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.654 -0.91 . . . . 0.0 110.647 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.258 10.6 t -123.73 3.25 8.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.78 1.232 . . . . 0.0 113.032 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -128.3 145.0 51.19 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.504 1.047 . . . . 0.0 110.857 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -142.5 165.74 26.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.875 1.67 . . . . 0.0 109.073 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.3 156.96 25.4 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.73 127.68 4.83 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.268 1.027 . . . . 0.0 108.405 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -147.75 -178.44 6.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.911 0.863 . . . . 0.0 108.78 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 162.01 33.17 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 p -144.78 153.2 41.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 108.9 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.33 120.45 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 101.727 -3.434 . . . . 0.0 101.727 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.62 156.01 47.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.074 0.852 . . . . 0.0 111.464 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.02 -45.61 95.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 124.499 1.12 . . . . 0.0 110.55 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -149.42 159.94 43.86 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.36 1.464 . . . . 0.0 109.354 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.17 66.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.714 -0.66 . . . . 0.0 112.564 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -32.88 74.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.49 1.496 . . . . 0.0 110.059 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -73.2 -38.13 66.21 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.338 1.055 . . . . 0.0 109.544 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.39 78.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.104 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -53.81 -34.79 60.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.613 1.165 . . . . 0.0 111.139 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -76.85 -52.7 9.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.06 1.344 . . . . 0.0 109.851 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -33.06 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.618 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -55.61 -40.98 72.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.218 1.372 . . . . 0.0 111.581 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -71.25 -34.76 71.04 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.033 0.933 . . . . 0.0 112.062 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -51.0 10.55 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 118.646 0.657 . . . . 0.0 110.022 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -54.18 -55.22 30.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.779 1.632 . . . . 0.0 113.118 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.32 75.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -57.47 -30.85 65.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.276 0.489 . . . . 0.0 111.453 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.99 -25.88 67.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.857 0.753 . . . . 0.0 111.084 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -84.55 0.26 50.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.924 2.09 . . . . 0.0 109.807 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.32 93.6 Favored Glycine 0 C--N 1.343 0.964 0 C-N-CA 125.937 1.732 . . . . 0.0 113.015 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -85.31 141.36 14.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 118.941 1.37 . . . . 0.0 113.909 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -139.57 65.61 1.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.77 -174.3 17.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.07 148.99 26.52 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 130.498 3.519 . . . . 0.0 111.313 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -113.43 145.97 40.3 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.71 154.57 45.39 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -135.89 137.48 41.46 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.436 0.695 . . . . 0.0 111.61 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.79 108.39 10.69 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.047 1.739 . . . . 0.0 107.667 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.55 -10.77 8.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.815 2.046 . . . . 0.0 115.939 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.59 72.06 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 120.068 1.304 . . . . 0.0 112.085 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 -6.41 5.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.274 1.83 . . . . 0.0 109.593 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.3 mttt 73.24 38.81 0.65 Allowed 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 129.879 3.272 . . . . 0.0 105.418 -178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -87.6 129.06 35.24 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 125.361 1.464 . . . . 0.0 112.434 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -103.94 136.16 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -134.54 142.34 46.96 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.148 0.28 . . . . 0.0 110.696 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.86 136.52 60.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 126.214 1.806 . . . . 0.0 106.654 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -128.37 105.21 8.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.609 1.164 . . . . 0.0 108.419 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.64 46.74 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -95.78 143.66 26.82 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -135.52 128.27 31.03 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -102.23 130.67 48.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.464 1.029 . . . . 0.0 109.836 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.53 112.54 18.15 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.83 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.96 131.5 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 128.237 2.615 . . . . 0.0 107.774 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.95 139.45 51.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.32 1.448 . . . . 0.0 109.094 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -125.02 86.9 2.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.056 0.942 . . . . 0.0 109.175 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.05 176.51 49.46 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.134 -1.587 . . . . 0.0 109.134 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -62.66 -50.93 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.05 -1.265 . . . . 0.0 110.978 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.275 4.2 t -123.25 4.12 9.18 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.175 0.99 . . . . 0.0 113.401 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.29 147.67 50.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.855 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -142.31 148.16 37.53 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.62 149.8 16.05 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.92 163.21 38.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 117.777 0.789 . . . . 0.0 111.322 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -156.92 170.64 22.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.788 0.804 . . . . 0.0 108.971 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -142.5 140.02 31.71 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -147.35 166.12 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -128.08 114.18 16.72 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 103.52 -2.771 . . . . 0.0 103.52 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.55 148.32 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.24 1.016 . . . . 0.0 111.748 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.76 -45.96 94.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.84 1.256 . . . . 0.0 110.731 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -141.56 158.98 43.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.709 1.604 . . . . 0.0 107.223 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.66 65.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.43 67.26 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.684 1.583 . . . . 0.0 108.801 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -65.04 -41.53 95.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.96 94.84 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -54.21 -41.27 68.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.383 1.073 . . . . 0.0 109.875 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.67 -52.82 40.48 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.397 -0.815 . . . . 0.0 111.259 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.63 -33.0 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.124 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -56.19 -40.66 74.31 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 110.109 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -49.59 14.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 120.187 1.358 . . . . 0.0 111.701 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -52.38 64.07 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.34 -52.16 62.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.231 1.378 . . . . 0.0 112.515 -177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.39 93.9 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.375 0.67 . . . . 0.0 110.361 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.32 -36.96 85.65 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.804 0.729 . . . . 0.0 110.588 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.82 -24.65 65.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.801 0.84 . . . . 0.0 109.721 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -83.55 -3.08 57.34 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.367 2.267 . . . . 0.0 109.694 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.86 38.9 56.05 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.024 1.774 . . . . 0.0 116.135 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 m -81.16 140.52 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.654 1.727 . . . . 0.0 112.279 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 66.01 1.43 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.77 -163.82 11.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.14 -0.975 . . . . 0.0 114.593 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.42 149.54 30.12 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.728 2.011 . . . . 0.0 110.425 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -101.15 136.14 41.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.103 1.761 . . . . 0.0 114.899 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.6 p -120.78 162.1 20.33 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.613 2.365 . . . . 0.0 107.922 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -139.78 140.67 36.74 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -129.28 96.75 4.38 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 107.209 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.95 -22.64 64.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.6 -26.67 61.86 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.864 0.866 . . . . 0.0 113.13 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -17.54 4.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.224 1.81 . . . . 0.0 110.296 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mttm 74.27 33.57 0.89 Allowed 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 131.381 3.872 . . . . 0.0 104.907 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 m -76.65 135.79 39.14 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.394 1.477 . . . . 0.0 108.939 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.95 110.9 16.84 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 101.824 -3.398 . . . . 0.0 101.824 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 m -111.39 141.76 44.52 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -129.94 136.49 58.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 125.777 1.631 . . . . 0.0 106.848 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -128.11 116.28 19.73 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.85 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' A' ' 2' ' ' GLY . 3.1 tpt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.174 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 1' ' ' MET . . . -165.48 -164.22 20.46 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 119.373 0.988 . . . . 0.0 112.921 171.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -97.48 139.19 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.674 1.59 . . . . 0.0 109.97 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.95 137.84 54.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.197 0.999 . . . . 0.0 111.763 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -102.59 154.59 18.98 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 144.75 30.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.792 1.237 . . . . 0.0 109.666 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -152.9 133.09 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.281 1.432 . . . . 0.0 109.522 163.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD21 HD22 ' A' ' 38' ' ' ASN . 0.9 OUTLIER -97.08 143.01 28.32 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.936 1.294 . . . . 0.0 109.733 170.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.59 114.39 18.02 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.252 1.421 . . . . 0.0 110.247 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.49 -178.18 16.47 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.142 0.877 . . . . 0.0 112.981 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.94 -54.63 32.09 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -135.44 34.22 3.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.742 1.617 . . . . 0.0 109.955 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -138.05 145.88 42.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.847 1.259 . . . . 0.0 109.691 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -166.37 160.47 15.72 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.97 145.88 4.22 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.043 0.83 . . . . 0.0 112.913 173.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.66 162.35 27.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.834 1.654 . . . . 0.0 108.325 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 t -166.09 171.56 12.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 127.185 2.194 . . . . 0.0 110.348 -173.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -137.75 154.45 49.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.932 1.693 . . . . 0.0 109.969 171.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -134.71 168.51 18.88 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.703 1.601 . . . . 0.0 109.987 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -134.19 129.56 35.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.883 1.673 . . . . 0.0 108.685 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.11 147.01 49.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.166 1.386 . . . . 0.0 110.709 -170.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -80.46 -32.61 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.948 1.699 . . . . 0.0 108.98 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -138.39 155.15 48.78 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.632 1.973 . . . . 0.0 109.549 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -14.91 63.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.108 1.363 . . . . 0.0 110.529 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.59 84.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.162 1.385 . . . . 0.0 110.625 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 m -65.7 -54.76 23.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.679 1.591 . . . . 0.0 109.987 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.72 7.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.161 1.384 . . . . 0.0 110.64 166.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 36.0 tt0 -62.11 -31.53 72.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.904 1.681 . . . . 0.0 108.636 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.33 -42.38 75.4 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.18 -46.67 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.781 1.632 . . . . 0.0 109.006 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -48.03 -46.98 33.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 110.804 -170.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.29 -42.57 68.53 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.2 -54.78 7.03 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.317 1.047 . . . . 0.0 108.869 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -57.87 -45.13 86.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.21 1.004 . . . . 0.0 111.838 -168.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.61 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.173 1.389 . . . . 0.0 110.531 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.11 -24.93 60.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.288 1.435 . . . . 0.0 110.233 173.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.56 -28.22 56.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.667 1.987 . . . . 0.0 109.516 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.412 HD22 HD21 ' A' ' 8' ' ' LEU . 4.3 t-20 -92.05 -7.25 49.3 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.315 1.446 . . . . 0.0 110.301 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.07 74.93 1.03 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.057 0.836 . . . . 0.0 113.034 167.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m -122.06 147.38 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.83 1.652 . . . . 0.0 109.012 -170.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -149.43 57.48 1.0 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.553 1.941 . . . . 0.0 109.489 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.02 -132.86 3.56 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.209 0.909 . . . . 0.0 112.973 -170.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.61 144.01 17.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.017 1.727 . . . . 0.0 108.717 -168.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -112.17 124.67 52.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.391 1.076 . . . . 0.0 111.599 -161.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -130.42 159.98 35.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.717 1.607 . . . . 0.0 109.866 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.21 140.1 39.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.21 1.004 . . . . 0.0 111.783 -161.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -128.29 113.72 16.0 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.719 2.007 . . . . 0.0 109.542 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -80.29 14.92 1.74 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.594 1.958 . . . . 0.0 109.613 -163.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.62 -51.6 6.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.165 1.386 . . . . 0.0 110.597 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.0 t -116.72 14.94 15.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.677 1.591 . . . . 0.0 109.853 166.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 52.51 48.57 22.29 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -78.51 136.16 37.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.699 1.6 . . . . 0.0 109.963 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -101.97 108.81 20.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.673 1.189 . . . . 0.0 110.895 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -86.97 128.91 35.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.736 1.614 . . . . 0.0 109.909 176.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.83 120.15 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.915 1.686 . . . . 0.0 109.111 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.4 m -116.3 119.91 37.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.779 1.632 . . . . 0.0 109.929 168.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.257 1.471 0 C-N-CA 128.643 2.777 . . . . 0.0 108.698 171.11 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.65 -128.24 0.94 Allowed Glycine 0 CA--C 1.526 0.771 0 CA-C-N 119.408 1.004 . . . . 0.0 113.057 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.6 135.65 51.51 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.865 1.666 . . . . 0.0 110.018 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -110.71 123.91 50.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.278 1.031 . . . . 0.0 111.76 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -88.79 149.19 23.54 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 169.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.39 37.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.899 1.28 . . . . 0.0 109.712 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -151.83 137.27 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.322 1.449 . . . . 0.0 109.52 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 34' ' ' TYR . 1.3 mm? -104.67 150.5 24.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.862 1.265 . . . . 0.0 109.708 171.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -131.95 98.52 4.47 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.285 1.434 . . . . 0.0 110.23 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.98 178.63 18.83 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.041 0.829 . . . . 0.0 113.022 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -60.14 -55.84 28.89 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.94 23.07 10.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.676 1.591 . . . . 0.0 109.882 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.9 134.61 31.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.902 1.281 . . . . 0.0 109.634 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -155.46 -178.02 6.97 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.91 153.44 6.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.132 0.872 . . . . 0.0 113.017 174.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -134.86 151.9 51.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.979 1.712 . . . . 0.0 108.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -163.88 176.27 9.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.853 1.661 . . . . 0.0 110.015 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -146.91 151.64 37.38 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.792 1.637 . . . . 0.0 109.926 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -145.58 156.12 43.48 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.763 1.625 . . . . 0.0 110.013 -165.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -123.25 144.27 49.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.027 1.731 . . . . 0.0 108.752 171.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 26' ' ' THR . . . -150.94 141.43 22.51 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.105 1.362 . . . . 0.0 110.576 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.17 -39.78 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.88 1.672 . . . . 0.0 108.998 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -129.24 160.37 33.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.656 1.982 . . . . 0.0 109.592 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.26 -31.4 72.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.074 1.349 . . . . 0.0 110.634 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.7 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.128 1.371 . . . . 0.0 110.71 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.439 ' HB ' ' HB2' ' A' ' 21' ' ' ALA . 28.2 m -48.82 -58.69 4.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.725 1.61 . . . . 0.0 109.908 171.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.59 -59.54 4.56 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.172 1.389 . . . . 0.0 110.639 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 52.2 tt0 -51.79 -40.3 60.15 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.908 1.683 . . . . 0.0 108.69 -171.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -67.37 -31.39 71.59 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.57 -42.24 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.95 1.7 . . . . 0.0 109.023 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.457 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 17.9 m-30 -56.45 -43.22 79.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.741 1.216 . . . . 0.0 110.861 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -79.28 -20.43 48.05 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.82 -56.16 3.99 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.348 1.059 . . . . 0.0 108.841 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 8' ' ' LEU . 17.2 t80 -59.66 -39.55 84.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.188 0.995 . . . . 0.0 111.857 -164.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.59 20.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.182 1.393 . . . . 0.0 110.651 -172.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -61.33 -26.93 68.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.276 1.43 . . . . 0.0 110.327 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.15 -31.4 64.23 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.668 1.987 . . . . 0.0 109.574 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -74.62 -33.36 62.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.386 1.474 . . . . 0.0 110.27 169.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.84 91.4 1.05 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.127 0.87 . . . . 0.0 113.138 -170.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.43 149.51 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.851 1.661 . . . . 0.0 108.961 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.05 52.69 1.02 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.621 1.968 . . . . 0.0 109.589 172.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.05 -136.66 5.26 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.166 0.889 . . . . 0.0 113.054 -170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 142.12 21.85 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.938 1.695 . . . . 0.0 108.703 -172.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -108.97 131.79 54.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.385 1.074 . . . . 0.0 111.683 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 p -123.62 142.97 50.53 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.74 1.616 . . . . 0.0 109.904 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -114.53 133.48 55.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.244 1.017 . . . . 0.0 111.784 -170.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.21 110.38 15.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.7 2.0 . . . . 0.0 109.561 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.21 -16.34 61.42 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.649 1.979 . . . . 0.0 109.596 -170.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.58 -54.4 11.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.061 1.344 . . . . 0.0 110.693 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.36 29.53 5.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.756 1.622 . . . . 0.0 110.026 174.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mttm 39.09 49.38 1.64 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -93.46 122.44 35.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.789 1.636 . . . . 0.0 109.975 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -90.47 120.44 31.57 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.766 1.226 . . . . 0.0 110.851 168.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.06 129.03 54.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.766 1.626 . . . . 0.0 109.945 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.68 140.2 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.927 1.691 . . . . 0.0 108.973 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.6 m -141.82 126.74 18.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.714 1.605 . . . . 0.0 109.93 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.258 1.5 0 C-N-CA 128.79 2.836 . . . . 0.0 108.678 -178.401 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.82 -174.65 45.82 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -102.14 139.67 37.44 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 60.3 m-85 -131.64 131.0 42.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.788 1.235 . . . . 0.0 109.979 -177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -100.93 128.06 47.13 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.401 1.455 . . . . 0.0 110.975 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.92 115.11 21.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.481 1.912 . . . . 0.0 113.7 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.07 131.33 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 128.079 2.552 . . . . 0.0 111.007 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.36 140.4 48.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.833 2.053 . . . . 0.0 109.112 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.79 73.84 1.49 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 113.403 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.34 169.21 51.85 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.81 -46.31 74.49 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.345 -1.091 . . . . 0.0 110.273 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -122.09 14.82 10.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.21 1.404 . . . . 0.0 112.492 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.2 146.89 51.02 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.37 1.441 . . . . 0.0 110.761 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -143.08 162.99 34.07 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.108 1.363 . . . . 0.0 110.11 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.27 151.86 7.5 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 126.044 1.783 . . . . 0.0 109.899 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.31 138.55 26.45 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.27 17.6 m -145.32 163.72 33.67 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.122 -0.986 . . . . 0.0 110.5 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 140.38 40.17 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 p -137.65 164.0 29.88 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.713 1.205 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.56 146.72 50.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.38 29.61 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.554 0.616 . . . . 0.0 110.32 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.5 -45.9 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.747 1.219 . . . . 0.0 109.336 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.57 157.62 45.2 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -18.98 65.68 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -46.14 77.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 120.819 1.645 . . . . 0.0 111.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 m -65.17 -32.97 74.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.092 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -50.35 69.04 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.26 -40.36 93.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.64 0.654 . . . . 0.0 110.452 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -61.71 -52.59 63.66 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.29 0.636 . . . . 0.0 110.319 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -33.58 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-O 116.547 -1.692 . . . . 0.0 110.01 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -56.41 -44.39 80.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 120.904 1.684 . . . . 0.0 113.045 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.21 -49.97 67.69 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 120.286 1.403 . . . . 0.0 110.661 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -49.13 72.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.769 0.713 . . . . 0.0 111.936 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.24 -54.8 30.82 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 124.815 1.246 . . . . 0.0 111.314 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.02 69.12 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.803 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.86 -29.95 67.35 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.15 -15.68 63.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.619 0.768 . . . . 0.0 110.459 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.18 14.8 15.09 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.839 2.456 . . . . 0.0 109.959 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.2 39.88 95.09 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 127.506 2.479 . . . . 0.0 115.469 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -95.39 139.04 19.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 119.195 3.035 . . . . 0.0 119.195 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.59 101.26 4.05 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 100.573 -3.862 . . . . 0.0 100.573 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.88 -168.86 34.74 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 121.876 2.126 . . . . 0.0 114.934 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -104.94 149.49 25.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.193 1.797 . . . . 0.0 111.45 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -110.85 132.18 54.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.533 1.933 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 p -116.56 163.91 15.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.159 2.184 . . . . 0.0 107.726 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 48.1 t80 -139.78 140.56 36.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.11 96.94 4.61 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.934 2.493 . . . . 0.0 106.224 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.24 -22.73 63.39 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.65 77.51 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.35 -0.844 . . . . 0.0 113.201 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.87 13.48 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 127.39 2.276 . . . . 0.0 110.612 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 4' ' ' TYR . 58.7 mttt 46.05 42.52 9.67 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.398 3.079 . . . . 0.0 107.951 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -79.59 116.02 19.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.109 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -105.04 110.79 23.32 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.302 -3.221 . . . . 0.0 102.302 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 m -109.7 142.61 40.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.363 1.065 . . . . 0.0 108.827 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -129.02 137.02 58.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 m -127.85 117.5 21.94 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.774 1.23 . . . . 0.0 107.812 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 116.718 -1.61 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.8 175.46 40.75 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 121.826 2.103 . . . . 0.0 112.496 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -92.79 144.41 25.32 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -138.12 135.02 35.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -100.81 137.8 38.71 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 109.599 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -121.28 109.42 14.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 114.549 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -123.51 129.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 126.166 1.786 . . . . 0.0 109.337 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.6 138.94 52.23 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.822 2.049 . . . . 0.0 107.271 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.52 118.94 25.93 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.393 1.077 . . . . 0.0 109.441 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.69 170.47 13.28 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.987 1.756 . . . . 0.0 109.482 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -55.66 -50.5 70.07 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.203 -0.586 . . . . 0.0 111.466 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -123.69 3.51 8.9 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mp -127.88 152.24 48.09 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.791 1.178 . . . . 0.0 109.813 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -142.83 164.94 28.72 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.121 0.968 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.93 128.98 1.99 Allowed Glycine 0 C--O 1.226 -0.345 0 N-CA-C 107.213 -2.355 . . . . 0.0 107.213 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -135.6 126.71 27.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.243 1.521 . . . . 0.0 107.777 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -151.38 -178.3 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 110.745 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -130.34 157.54 42.27 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.192 1.797 . . . . 0.0 106.212 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 p -149.68 159.29 44.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.508 1.123 . . . . 0.0 109.046 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -130.18 148.9 52.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.68 144.44 35.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.573 -0.704 . . . . 0.0 110.297 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -65.58 -39.47 85.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.93 157.65 45.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.716 2.406 . . . . 0.0 106.314 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -19.42 62.07 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.31 70.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.224 0.92 . . . . 0.0 112.541 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -27.7 67.98 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.988 0.813 . . . . 0.0 112.671 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -40.93 80.28 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.45 -30.93 67.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.566 0.747 . . . . 0.0 111.289 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -73.82 -49.03 27.13 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.472 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.44 -34.86 59.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 123.567 0.747 . . . . 0.0 109.788 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -53.7 -44.53 69.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 119.184 0.902 . . . . 0.0 110.957 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -74.65 -48.03 28.58 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.17 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.56 -51.64 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.39 -48.13 43.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.793 -0.567 . . . . 0.0 110.775 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.33 73.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.648 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.65 -29.26 69.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.745 1.157 . . . . 0.0 111.095 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.36 -25.09 67.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.509 0.724 . . . . 0.0 109.905 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -84.45 -4.69 59.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.479 1.511 . . . . 0.0 110.871 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.54 94.13 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 119.702 1.137 . . . . 0.0 111.403 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.01 142.94 13.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -139.06 90.87 2.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 126.545 1.938 . . . . 0.0 105.917 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.82 -172.26 36.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 121.552 1.978 . . . . 0.0 115.793 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.23 149.0 21.64 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 129.243 3.017 . . . . 0.0 110.726 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -111.26 131.16 55.36 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.006 0.922 . . . . 0.0 113.416 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -130.39 156.29 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 7.9 t80 -139.87 146.76 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -129.7 121.14 26.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.581 1.552 . . . . 0.0 109.744 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.89 -14.79 62.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.04 70.2 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.687 1.13 . . . . 0.0 112.062 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -1.83 6.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.919 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 63.0 mttm 67.78 35.02 4.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 130.071 3.348 . . . . 0.0 104.863 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -77.27 145.7 37.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.588 2.355 . . . . 0.0 111.591 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -121.53 131.52 54.19 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 129.198 2.999 . . . . 0.0 102.965 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 p -126.55 135.99 51.99 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.899 1.68 . . . . 0.0 110.95 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.21 132.25 65.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 125.686 1.595 . . . . 0.0 107.481 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -127.87 104.67 7.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.381 0.672 . . . . 0.0 109.379 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.243 0.718 0 C-N-CA 125.659 1.584 . . . . 0.0 107.687 178.368 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.84 179.41 47.24 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 120.009 -1.091 . . . . 0.0 114.131 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -70.3 145.64 51.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.774 2.03 . . . . 0.0 109.793 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -138.4 126.49 22.74 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.667 -2.346 . . . . 0.0 104.667 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -102.26 126.6 49.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.34 115.32 23.32 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.191 1.397 . . . . 0.0 113.168 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -122.58 132.58 70.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 127.936 2.494 . . . . 0.0 109.247 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.21 132.06 56.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.184 2.194 . . . . 0.0 105.25 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.25 71.81 1.28 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.816 1.246 . . . . 0.0 110.177 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.54 174.19 50.78 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.36 -48.8 74.13 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 121.431 -1.041 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -121.7 4.0 10.07 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -128.11 141.64 51.43 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.671 1.188 . . . . 0.0 108.126 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -143.17 150.8 39.9 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.32 148.03 11.68 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -147.14 146.26 29.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.388 1.094 . . . . 0.0 110.347 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -156.76 171.93 19.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 111.095 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -141.57 151.65 43.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 128.148 2.579 . . . . 0.0 105.026 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -166.77 166.95 15.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.4 127.26 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.3 145.4 44.01 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 122.195 0.998 . . . . 0.0 112.061 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.78 -31.97 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -154.09 159.34 41.46 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.875 0.761 . . . . 0.0 110.218 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.3 75.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.668 0.787 . . . . 0.0 109.607 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.03 74.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 110.342 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -70.2 -43.76 70.06 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.05 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.991 0.916 . . . . 0.0 108.804 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.67 -34.59 59.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.732 2.013 . . . . 0.0 111.642 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -72.91 -47.97 41.16 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.888 -0.508 . . . . 0.0 111.017 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.47 -32.47 57.87 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.019 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -55.15 -44.03 74.78 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.28 0.945 . . . . 0.0 110.743 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -66.05 -49.87 66.14 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.571 1.078 . . . . 0.0 112.247 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -67.89 -50.61 55.33 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.49 -0.766 . . . . 0.0 112.988 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.82 -41.17 97.44 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 119.201 0.909 . . . . 0.0 111.116 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.79 66.53 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.702 -0.624 . . . . 0.0 109.746 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.6 -33.96 76.04 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.292 0.951 . . . . 0.0 110.989 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.81 -24.75 67.65 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.12 0.968 . . . . 0.0 109.571 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -83.49 0.59 45.7 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.693 1.997 . . . . 0.0 109.883 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.25 36.06 92.35 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.753 1.644 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.94 141.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -139.44 65.42 1.44 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.68 -173.3 15.08 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 114.849 0.7 . . . . 0.0 114.849 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -99.93 150.41 22.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 129.49 3.116 . . . . 0.0 111.031 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -109.7 129.64 55.59 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 p -119.44 164.72 15.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.157 1.783 . . . . 0.0 107.373 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.34 143.32 39.85 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.54 97.62 4.76 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 128.656 2.782 . . . . 0.0 106.918 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.76 -10.86 40.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.85 -39.64 74.65 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.26 1.024 . . . . 0.0 111.08 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.2 -10.46 5.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 110.027 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.284 48.0 mttm 81.76 36.86 0.07 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 130.77 3.628 . . . . 0.0 107.714 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -75.43 116.04 15.73 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 129.258 3.023 . . . . 0.0 110.878 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.43 125.56 50.74 Favored 'General case' 0 N--CA 1.446 -0.666 1 N-CA-C 99.633 -4.21 . . . . 0.0 99.633 175.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -126.23 138.55 53.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.78 131.37 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 125.597 1.559 . . . . 0.0 109.664 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -128.28 122.7 32.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.246 0.889 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 178.428 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.28 177.48 48.29 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 120.059 1.299 . . . . 0.0 112.37 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 10.1 t -89.96 144.84 25.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.83 132.08 43.4 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -101.13 133.93 44.92 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.2 109.38 15.35 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 126.26 1.824 . . . . 0.0 112.643 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tt -123.37 131.53 72.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 127.507 2.323 . . . . 0.0 109.186 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.39 133.08 56.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.469 1.908 . . . . 0.0 108.653 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -123.49 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.513 1.525 . . . . 0.0 107.562 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.02 176.05 29.11 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.566 1.079 . . . . 0.0 110.537 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.63 -49.13 76.41 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.961 0.904 . . . . 0.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.9 1.21 9.29 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.83 1.252 . . . . 0.0 113.787 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 mt -128.44 134.0 48.66 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.615 1.166 . . . . 0.0 110.472 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -142.03 134.32 27.83 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.74 157.22 29.18 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.42 158.72 44.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.537 0.669 . . . . 0.0 111.518 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -155.04 172.04 18.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -144.37 142.7 30.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -155.07 167.44 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 25.4 tt0 -116.34 143.81 45.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 109.115 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.93 144.4 43.42 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.918 0.887 . . . . 0.0 112.275 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.72 -31.1 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.752 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -150.08 157.96 43.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -22.9 58.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.921 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.91 71.09 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.799 1.636 . . . . 0.0 109.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.8 m -70.65 -41.09 72.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.8 73.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.28 1.032 . . . . 0.0 108.868 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.67 -41.02 66.43 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.015 1.326 . . . . 0.0 110.23 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -67.65 -48.28 67.12 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 111.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.71 -33.75 65.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -56.18 -43.92 78.89 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.7 1.136 . . . . 0.0 111.215 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -65.62 -49.97 66.78 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.6 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -51.57 61.48 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.602 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -57.17 -53.34 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.297 1.039 . . . . 0.0 112.966 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -65.27 -43.91 89.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.297 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.16 -33.52 75.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.213 0.915 . . . . 0.0 111.768 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.715 1.206 . . . . 0.0 109.777 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.75 -0.98 57.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.368 2.667 . . . . 0.0 110.001 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.94 35.65 79.64 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.204 1.859 . . . . 0.0 115.377 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.412 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.5 m -83.56 144.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -138.73 84.39 2.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.18 -177.85 38.53 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.291 1.405 . . . . 0.0 115.845 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -96.53 147.99 23.29 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.494 3.118 . . . . 0.0 111.118 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -112.26 132.67 54.81 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 118.209 2.67 . . . . 0.0 118.209 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 p -121.68 160.94 23.42 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.047 2.539 . . . . 0.0 106.97 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 63.6 t80 -139.25 144.48 38.44 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.449 1.022 . . . . 0.0 112.455 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.35 106.9 9.33 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.52 -12.45 15.28 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -47.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.155 1.382 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.361 0.5 OUTLIER -127.55 6.43 6.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.934 0.894 . . . . 0.0 110.402 178.329 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.273 63.4 mttm 64.27 32.71 12.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 131.119 3.768 . . . . 0.0 109.011 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -73.4 124.58 26.05 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 129.362 3.065 . . . . 0.0 112.52 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -107.62 111.12 23.19 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -105.61 135.16 47.53 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.48 132.65 66.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 125.535 1.534 . . . . 0.0 107.164 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 m -128.46 104.5 7.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.598 1.559 . . . . 0.0 108.221 178.653 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 117.8 -1.095 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.21 -169.96 12.04 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 119.421 1.009 . . . . 0.0 113.055 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -115.42 142.37 46.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.778 1.631 . . . . 0.0 109.891 168.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.22 119.3 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.336 1.054 . . . . 0.0 111.77 -169.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -83.29 152.54 25.09 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -143.56 138.87 29.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.976 1.31 . . . . 0.0 109.764 -177.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tt -149.92 120.71 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.348 1.459 . . . . 0.0 109.608 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.1 mm? -86.87 164.44 16.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 0.0 109.622 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -126.44 122.13 34.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.307 1.443 . . . . 0.0 110.276 162.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.66 156.0 23.95 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.092 0.853 . . . . 0.0 113.032 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -45.91 -63.79 0.89 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 p -98.05 -34.61 10.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.736 1.615 . . . . 0.0 110.022 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -125.72 141.41 52.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.892 1.277 . . . . 0.0 109.668 -160.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -127.49 -179.34 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 154.35 10.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.015 0.817 . . . . 0.0 112.935 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.93 154.35 49.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.866 1.667 . . . . 0.0 108.643 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -168.05 175.03 6.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.601 1.56 . . . . 0.0 109.825 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -131.68 164.24 26.37 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.912 1.685 . . . . 0.0 109.951 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 p -135.04 162.69 31.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 109.899 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -134.86 120.57 19.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.956 1.702 . . . . 0.0 108.69 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.29 147.77 42.27 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.218 1.407 . . . . 0.0 110.661 -162.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 m -84.89 -24.07 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.842 1.657 . . . . 0.0 108.952 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.51 162.02 39.22 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.593 1.957 . . . . 0.0 109.534 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.57 59.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.302 1.441 . . . . 0.0 110.717 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.12 -32.84 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.148 1.379 . . . . 0.0 110.659 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -61.46 -52.1 65.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.664 1.586 . . . . 0.0 109.895 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.2 66.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.223 1.409 . . . . 0.0 110.601 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -51.62 -40.91 60.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.884 1.673 . . . . 0.0 108.767 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -69.97 -46.69 64.7 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.92 -50.55 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.092 1.757 . . . . 0.0 108.967 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -42.5 -51.5 5.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.763 1.225 . . . . 0.0 110.859 -172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -68.59 -35.1 76.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.81 -42.95 18.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.404 1.082 . . . . 0.0 108.864 -175.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HD13 ' A' ' 6' ' ' LEU . 45.8 t80 -56.17 -63.71 1.1 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.261 1.024 . . . . 0.0 111.792 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.32 61.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.091 1.356 . . . . 0.0 110.739 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.44 -22.03 66.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 110.201 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -74.52 -25.43 59.34 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.536 1.935 . . . . 0.0 109.619 170.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -12.09 31.09 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.34 1.456 . . . . 0.0 110.246 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.76 76.36 0.6 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.051 0.834 . . . . 0.0 113.026 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.85 144.05 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.887 1.675 . . . . 0.0 108.992 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -148.17 46.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.644 1.977 . . . . 0.0 109.543 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 -136.31 6.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.103 0.858 . . . . 0.0 113.019 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -146.55 151.82 37.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.945 1.698 . . . . 0.0 108.784 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -120.22 131.93 55.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.438 1.095 . . . . 0.0 111.672 -160.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -129.12 131.35 47.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 109.859 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.8 138.35 42.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.224 1.01 . . . . 0.0 111.721 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -135.09 124.62 25.01 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.675 1.99 . . . . 0.0 109.611 171.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.94 -11.42 59.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.595 1.958 . . . . 0.0 109.566 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.6 -53.48 23.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.155 1.382 . . . . 0.0 110.547 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 52' ' ' THR . 1.4 t -123.6 27.91 7.19 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.784 1.634 . . . . 0.0 109.924 163.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 49.83 43.45 24.89 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.8 t -91.13 145.72 24.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.606 1.562 . . . . 0.0 109.986 -170.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -112.99 117.61 32.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.743 1.217 . . . . 0.0 110.819 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -105.13 128.25 53.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.738 1.615 . . . . 0.0 109.889 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -108.59 132.01 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.791 1.636 . . . . 0.0 108.914 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.3 m -120.96 118.03 28.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.67 1.588 . . . . 0.0 109.947 168.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.257 1.453 0 C-N-CA 128.723 2.809 . . . . 0.0 108.772 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttm . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.59 -175.54 38.17 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.031 -1.628 . . . . 0.0 109.031 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -109.87 143.49 39.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 1.2 m-85 -134.73 160.4 38.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.977 0.911 . . . . 0.0 110.807 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -124.83 125.74 44.48 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.566 0.346 . . . . 0.0 110.465 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -120.68 109.49 15.27 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 119.977 -1.702 . . . . 0.0 110.967 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.64 132.1 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 127.333 2.253 . . . . 0.0 111.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.91 129.45 55.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.304 2.242 . . . . 0.0 108.289 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -119.79 87.74 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.94 178.41 51.11 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 125.039 1.304 . . . . 0.0 111.64 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.18 -50.07 73.98 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.541 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 t -124.14 -17.68 6.12 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.087 0.955 . . . . 0.0 112.897 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 tp -108.0 128.08 54.34 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.665 1.186 . . . . 0.0 114.138 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -114.89 157.92 22.68 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.87 137.59 4.64 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.84 128.06 15.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.379 1.072 . . . . 0.0 108.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -134.52 168.12 19.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.513 0.673 . . . . 0.0 110.12 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.0 t -145.52 141.19 28.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -148.87 162.03 40.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.758 0.423 . . . . 0.0 110.596 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -120.99 133.17 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 127.511 2.325 . . . . 0.0 105.493 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 156.15 46.66 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.776 0.798 . . . . 0.0 110.44 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.88 -44.46 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.137 1.375 . . . . 0.0 111.888 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -142.08 160.31 40.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 109.493 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.16 72.08 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.504 0.722 . . . . 0.0 111.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.85 73.8 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.545 1.066 . . . . 0.0 111.023 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.5 m -68.64 -34.29 75.48 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.933 -1.105 . . . . 0.0 109.611 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.66 57.84 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.307 1.043 . . . . 0.0 110.766 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.67 -32.53 73.61 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.671 1.588 . . . . 0.0 111.05 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.8 -52.66 34.47 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 120.552 -1.342 . . . . 0.0 109.608 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.9 -31.93 55.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.028 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 120.41 1.459 . . . . 0.0 109.168 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -77.84 -50.02 13.11 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 118.855 0.752 . . . . 0.0 110.511 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.58 -51.49 69.27 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -66.78 -50.85 61.37 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 119.674 1.124 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.2 94.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.015 -0.428 . . . . 0.0 111.803 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.39 -39.83 92.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 118.618 0.645 . . . . 0.0 110.642 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.68 -27.01 68.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.873 0.869 . . . . 0.0 110.33 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -83.78 3.46 33.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.442 2.297 . . . . 0.0 111.072 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.14 39.91 88.28 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 125.496 1.522 . . . . 0.0 115.997 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.02 131.44 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -139.62 65.48 1.43 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.74 -177.84 25.89 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 121.606 0.559 . . . . 0.0 113.102 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.58 149.65 26.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.381 2.272 . . . . 0.0 109.615 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -110.97 150.61 29.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.374 1.07 . . . . 0.0 111.618 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -140.09 159.2 42.72 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.965 2.106 . . . . 0.0 106.409 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 56.7 t80 -133.79 145.73 50.05 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.67 101.25 5.82 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.432 2.293 . . . . 0.0 108.142 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.7 -11.03 22.49 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.17 -52.16 64.21 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 120.07 1.305 . . . . 0.0 111.386 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -127.22 13.18 7.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.197 0.999 . . . . 0.0 109.036 177.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.286 31.3 mttm 61.85 48.54 5.32 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 129.697 3.199 . . . . 0.0 107.629 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 m -75.51 136.73 40.61 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -121.77 120.05 33.49 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 m -118.25 138.98 51.98 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.3 t -129.53 136.33 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.95 112.76 15.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.146 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.19 40.74 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 119.821 1.191 . . . . 0.0 111.43 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -97.0 143.8 27.51 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 22.7 m-85 -130.08 128.26 41.53 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.308 1.043 . . . . 0.0 109.652 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -101.9 128.61 48.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.3 109.46 14.95 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.4 -1.438 . . . . 0.0 111.806 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.75 130.81 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.681 2.393 . . . . 0.0 111.615 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.63 140.72 50.16 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 127.261 2.225 . . . . 0.0 111.564 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -117.42 118.02 31.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.75 -160.92 33.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.95 -52.11 39.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.688 1.244 . . . . 0.0 107.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 t -124.3 -23.96 4.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.375 1.07 . . . . 0.0 113.058 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -99.5 130.11 45.73 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.739 1.216 . . . . 0.0 112.54 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.1 145.5 39.65 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.102 1.761 . . . . 0.0 110.149 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.97 154.76 25.73 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 123.749 0.69 . . . . 0.0 111.883 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.61 150.65 27.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 117.945 0.872 . . . . 0.0 112.084 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -147.95 170.94 16.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.054 0.454 . . . . 0.0 110.078 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -143.16 160.29 40.71 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.779 2.032 . . . . 0.0 107.056 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -166.68 166.39 15.98 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.35 1.06 . . . . 0.0 108.169 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -128.08 122.56 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 147.66 44.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.99 0.9 . . . . 0.0 111.423 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 m -71.22 -38.4 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -140.69 158.68 43.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.713 2.005 . . . . 0.0 109.214 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -19.03 59.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.0 63.12 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 121.389 1.904 . . . . 0.0 112.146 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -28.91 70.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.648 -0.657 . . . . 0.0 110.856 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.56 61.99 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.904 1.282 . . . . 0.0 109.401 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.81 -32.97 74.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 108.416 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -72.43 -51.22 21.26 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.313 1.445 . . . . 0.0 109.786 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -32.02 52.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 123.713 0.805 . . . . 0.0 111.437 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.75 -44.77 73.92 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.594 0.758 . . . . 0.0 109.108 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.19 -49.33 14.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.562 0.619 . . . . 0.0 112.128 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.93 -52.35 65.86 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.81 -44.29 66.87 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.262 1.392 . . . . 0.0 111.683 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.68 93.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.403 0.681 . . . . 0.0 110.247 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -70.56 -29.47 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.316 -1.49 . . . . 0.0 111.225 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.37 -18.97 63.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.14 -5.05 56.9 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 129.39 3.076 . . . . 0.0 108.215 177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.35 39.87 97.35 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 127.395 2.426 . . . . 0.0 115.016 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -92.3 138.92 18.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.14 65.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.84 -174.46 13.46 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.9 1.238 . . . . 0.0 113.262 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.04 149.98 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.861 2.464 . . . . 0.0 110.02 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -110.6 150.84 28.39 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.101 0.96 . . . . 0.0 113.107 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 p -137.03 155.06 50.16 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 127.507 2.323 . . . . 0.0 105.683 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 65.7 t80 -139.8 142.45 36.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.47 105.85 8.37 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.043 1.737 . . . . 0.0 107.241 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.86 -11.08 24.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.81 72.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.082 1.353 . . . . 0.0 110.41 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -126.78 9.45 6.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.239 1.416 . . . . 0.0 109.081 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 27.9 mttm 57.21 40.71 27.82 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 130.116 3.367 . . . . 0.0 108.207 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 m -82.38 115.64 21.51 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.814 1.246 . . . . 0.0 111.058 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -97.01 130.0 44.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 102.016 -3.327 . . . . 0.0 102.016 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -126.48 142.38 51.56 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.224 0.61 . . . . 0.0 109.802 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.55 139.11 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 126.352 1.861 . . . . 0.0 109.007 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -122.96 104.03 8.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.108 1.363 . . . . 0.0 108.335 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.381 1.472 . . . . 0.0 107.919 178.698 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.468 0.436 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.39 179.7 42.36 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -104.61 138.11 41.44 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.38 133.23 34.59 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.811 0.844 . . . . 0.0 109.145 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -101.77 134.04 45.56 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 111.089 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.09 112.93 18.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.31 131.71 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.46 2.304 . . . . 0.0 108.886 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.25 123.32 43.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.206 1.802 . . . . 0.0 108.434 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.412 ' OD1' ' HE2' ' A' ' 14' ' ' LYS . 68.9 m-80 -97.08 145.9 25.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.98 171.5 22.72 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -57.79 -50.45 73.23 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 122.392 -0.475 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -124.04 4.76 8.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.612 1.565 . . . . 0.0 112.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -126.24 143.54 51.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.173 1.351 . . . . 0.0 111.715 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE2' ' OD1' ' A' ' 9' ' ' ASN . 83.5 mttt -142.63 149.38 38.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.544 1.538 . . . . 0.0 108.927 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.98 147.49 14.66 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 107.959 -2.057 . . . . 0.0 107.959 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.24 116.08 6.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.617 1.208 . . . . 0.0 109.151 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -125.13 174.04 8.33 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.592 0.357 . . . . 0.0 111.07 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -147.12 158.52 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -159.72 163.96 34.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -129.38 137.69 51.09 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.199 -3.26 . . . . 0.0 102.199 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.34 152.81 47.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 119.606 1.094 . . . . 0.0 111.09 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -53.56 -46.01 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.585 1.554 . . . . 0.0 110.609 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.92 158.69 43.66 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.0 1.32 . . . . 0.0 108.221 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -19.48 65.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.748 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.79 83.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.593 1.542 . . . . 0.0 109.151 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -61.54 -39.56 91.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.776 0.83 . . . . 0.0 109.824 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.0 -42.25 99.8 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.99 1.268 . . . . 0.0 108.902 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.15 -52.75 53.25 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.507 0.323 . . . . 0.0 110.483 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -33.7 59.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.565 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -41.56 77.95 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.442 1.019 . . . . 0.0 110.123 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -75.53 -50.05 16.83 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.278 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -52.12 50.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.93 -47.04 86.45 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.281 0.946 . . . . 0.0 112.344 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -49.06 37.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.0 -33.72 76.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.698 1.136 . . . . 0.0 111.859 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.68 -16.7 63.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.332 1.053 . . . . 0.0 110.282 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -86.58 -5.4 59.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.986 2.114 . . . . 0.0 108.837 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.93 40.7 16.28 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-O 117.839 -1.534 . . . . 0.0 114.663 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.66 136.31 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -139.69 65.64 1.42 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.249 1.82 . . . . 0.0 107.82 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.97 -164.3 10.24 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.687 1.137 . . . . 0.0 114.158 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -98.07 146.06 25.92 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.601 1.16 . . . . 0.0 111.785 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -112.09 143.62 42.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.547 1.539 . . . . 0.0 114.706 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -125.73 166.38 16.89 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.647 1.979 . . . . 0.0 108.078 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 38.4 t80 -135.09 136.23 41.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.89 101.0 6.14 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.287 2.635 . . . . 0.0 106.439 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.37 -14.4 18.46 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.35 76.58 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.732 1.605 . . . . 0.0 112.548 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 13.39 7.1 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.889 1.275 . . . . 0.0 108.338 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 48.1 mttm 54.78 47.02 23.34 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.603 2.361 . . . . 0.0 105.669 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -76.77 115.31 16.43 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 131.628 3.971 . . . . 0.0 111.64 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.63 134.88 47.05 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -128.77 142.46 50.98 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.48 138.6 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 125.432 1.493 . . . . 0.0 109.991 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.4 m -113.54 103.56 11.39 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.831 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 119.512 -0.28 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.57 -179.59 46.67 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -95.12 143.28 26.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -131.47 140.69 49.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.696 -1.965 . . . . 0.0 105.696 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.34 133.46 47.23 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.112 0.869 . . . . 0.0 109.79 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -121.64 108.86 14.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.338 -1.476 . . . . 0.0 109.856 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 129.139 2.976 . . . . 0.0 112.056 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.92 140.27 49.95 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.686 1.995 . . . . 0.0 108.927 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -126.17 104.18 8.1 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.674 -2.713 . . . . 0.0 103.674 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.96 -175.92 34.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -62.37 -50.47 71.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -123.38 -21.5 5.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.726 1.61 . . . . 0.0 111.385 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.14 143.23 28.13 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.822 1.249 . . . . 0.0 111.165 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -143.12 145.18 32.61 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.27 152.8 19.94 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.03 145.52 25.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.618 0.767 . . . . 0.0 109.609 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 -179.89 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.47 150.81 35.29 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -141.97 121.51 13.3 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.43 111.58 22.52 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -179.67 4.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.532 1.133 . . . . 0.0 110.261 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.53 -44.92 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 123.715 0.806 . . . . 0.0 110.434 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.11 164.92 31.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.77 1.628 . . . . 0.0 108.136 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.03 69.79 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.482 0.713 . . . . 0.0 112.916 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.55 68.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.964 1.256 . . . . 0.0 111.227 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 m -70.36 -36.19 74.01 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 121.202 -0.936 . . . . 0.0 109.135 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.93 66.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.631 0.773 . . . . 0.0 109.978 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.49 -31.15 70.2 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.471 1.109 . . . . 0.0 110.986 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.62 -53.1 53.02 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.407 1.083 . . . . 0.0 109.659 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.37 -30.67 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 125.057 1.343 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -53.81 -44.14 69.94 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.971 0.908 . . . . 0.0 109.275 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -77.58 -50.04 13.37 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.69 -0.671 . . . . 0.0 112.122 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.97 -52.6 62.38 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -63.17 -50.23 71.18 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 120.603 1.547 . . . . 0.0 112.021 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.33 70.46 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.51 -35.83 74.93 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.198 0.908 . . . . 0.0 112.491 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.4 -26.79 63.86 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.786 1.634 . . . . 0.0 110.513 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.72 12.35 6.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.737 2.415 . . . . 0.0 110.612 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.67 38.05 93.22 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 125.227 1.394 . . . . 0.0 114.932 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.39 140.75 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 118.546 1.173 . . . . 0.0 114.136 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.47 93.11 2.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.284 -2.487 . . . . 0.0 104.284 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.26 -177.77 48.46 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 121.686 2.039 . . . . 0.0 115.366 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.05 150.15 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 129.256 3.022 . . . . 0.0 110.574 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -111.35 144.09 41.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.258 1.023 . . . . 0.0 113.217 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -131.41 161.19 33.03 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 127.084 2.154 . . . . 0.0 105.905 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -139.93 146.43 39.18 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.94 97.01 4.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 127.218 2.207 . . . . 0.0 108.082 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.98 -18.74 63.58 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.24 70.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.056 0.942 . . . . 0.0 112.259 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -127.45 -3.34 6.13 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.829 1.652 . . . . 0.0 110.42 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.285 81.5 mttt 66.27 34.63 6.41 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 131.077 3.751 . . . . 0.0 108.02 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -85.11 115.43 22.91 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 126.273 1.829 . . . . 0.0 113.278 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -94.76 126.35 40.01 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 102.494 -3.151 . . . . 0.0 102.494 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.6 m -123.23 141.53 51.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.764 0.711 . . . . 0.0 110.206 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -129.97 138.84 53.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 127.025 2.13 . . . . 0.0 109.013 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -127.51 128.33 45.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.243 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.43 -174.98 45.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 115.96 31.19 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 42.0 m-85 -111.69 133.63 53.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.236 1.814 . . . . 0.0 108.545 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -102.0 134.27 45.49 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.779 0.718 . . . . 0.0 110.846 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.83 107.98 13.39 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.446 0.698 . . . . 0.0 111.673 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tt -124.48 131.99 71.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.679 1.992 . . . . 0.0 111.651 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -118.71 138.85 52.36 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.545 1.138 . . . . 0.0 108.105 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -126.14 91.01 3.29 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.51 0.595 . . . . 0.0 111.18 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.75 176.65 25.14 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.838 1.208 . . . . 0.0 111.859 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -55.22 -50.31 69.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.073 0.949 . . . . 0.0 110.941 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -123.4 -27.45 4.09 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.406 1.082 . . . . 0.0 111.058 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.71 113.84 22.9 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.661 1.584 . . . . 0.0 111.646 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -142.04 157.99 44.28 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.58 151.84 10.84 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.47 127.28 17.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.291 1.436 . . . . 0.0 108.146 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -141.17 179.69 6.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.419 -0.801 . . . . 0.0 111.532 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -130.28 140.59 50.66 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 126.186 1.795 . . . . 0.0 106.287 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -129.85 124.99 34.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 126.321 1.849 . . . . 0.0 112.127 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -128.73 133.87 48.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.81 -177.65 5.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.488 1.515 . . . . 0.0 107.417 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.5 -46.09 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 O-C-N 121.691 -0.631 . . . . 0.0 110.101 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -140.64 159.23 42.65 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.142 1.377 . . . . 0.0 108.989 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.59 -20.13 63.64 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.802 0.728 . . . . 0.0 111.26 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.23 85.69 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.79 -1.194 . . . . 0.0 109.793 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -66.26 -33.24 75.3 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.59 -28.96 56.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.762 2.025 . . . . 0.0 112.671 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.57 -32.79 59.15 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.327 0.967 . . . . 0.0 112.104 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.81 -52.51 36.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -32.96 59.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.017 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.92 -44.37 78.25 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.394 1.078 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -77.11 -49.11 15.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.387 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.31 -51.49 68.65 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.95 -41.95 75.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 119.91 1.232 . . . . 0.0 111.833 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.69 -49.21 32.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 121.928 -0.483 . . . . 0.0 110.85 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.76 -35.85 77.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 120.867 -1.145 . . . . 0.0 111.263 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.65 -23.85 63.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.088 1.755 . . . . 0.0 108.922 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -5.44 58.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.89 1.676 . . . . 0.0 107.85 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.31 31.73 56.65 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 125.683 1.611 . . . . 0.0 114.356 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -84.08 138.47 19.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.48 65.63 1.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.52 -175.0 16.22 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 113.14 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.6 148.69 22.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.843 1.257 . . . . 0.0 109.666 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -111.1 143.69 41.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.37 1.068 . . . . 0.0 113.134 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 p -129.31 170.01 14.15 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 127.084 2.154 . . . . 0.0 108.099 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -140.53 143.16 35.25 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.11 96.11 4.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.607 1.963 . . . . 0.0 106.164 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.78 -22.98 66.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.88 -33.94 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.965 1.257 . . . . 0.0 112.613 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -3.16 6.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.92 1.688 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.263 74.5 mttt 62.54 37.42 13.2 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 130.982 3.713 . . . . 0.0 109.26 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -80.71 116.2 20.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.566 1.946 . . . . 0.0 111.427 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -102.56 111.25 23.47 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 m -109.51 143.12 39.59 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.576 1.15 . . . . 0.0 111.043 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -120.29 138.82 49.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 126.316 1.846 . . . . 0.0 106.637 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 m -126.51 106.71 9.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.484 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 123.662 0.785 . . . . 0.0 109.827 178.076 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' A' ' 23' ' ' ASP . 3.2 ttt . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.73 -173.65 46.45 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -96.31 137.2 35.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 7.2 m-85 -133.62 157.3 46.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.131 1.372 . . . . 0.0 109.237 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -122.02 136.93 54.96 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.245 0.475 . . . . 0.0 111.511 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.49 108.92 13.71 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.833 1.253 . . . . 0.0 109.359 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -122.46 132.67 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.717 2.807 . . . . 0.0 110.467 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.54 139.83 50.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 126.3 1.84 . . . . 0.0 110.53 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -126.55 83.62 2.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.707 1.203 . . . . 0.0 110.69 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.74 167.92 31.29 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -57.29 -49.95 74.47 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.666 -0.902 . . . . 0.0 112.411 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 6.0 t -123.58 10.72 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.084 0.554 . . . . 0.0 112.168 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -129.02 139.27 52.14 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.776 -1.202 . . . . 0.0 109.229 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -142.44 157.0 45.23 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.189 0.995 . . . . 0.0 109.769 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 148.58 10.0 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.69 116.81 6.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.516 1.158 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -130.87 177.02 7.74 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.092 -1.005 . . . . 0.0 111.212 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -138.77 151.41 47.06 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.094 1.357 . . . . 0.0 108.556 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 m -149.09 138.16 21.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.653 0.739 . . . . 0.0 109.474 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -118.42 124.14 46.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.63 165.02 28.54 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.743 0.782 . . . . 0.0 109.522 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 m -57.56 -40.05 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.009 1.324 . . . . 0.0 111.803 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 15.3 t70 -152.79 162.97 40.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.508 1.123 . . . . 0.0 110.669 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.44 80.33 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.58 78.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.679 0.792 . . . . 0.0 111.261 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -69.53 -35.14 75.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.898 0.879 . . . . 0.0 110.433 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.04 55.41 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.85 0.86 . . . . 0.0 112.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.8 -30.56 45.4 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.069 0.85 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.86 -49.35 70.88 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 121.046 -1.034 . . . . 0.0 109.448 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -33.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.851 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CZ ' ' CE3' ' A' ' 44' ' ' TRP . 1.2 t80 -56.32 -45.08 80.45 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.109 0.868 . . . . 0.0 109.267 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -77.25 -49.15 15.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.423 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -52.24 65.78 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.79 -49.51 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 119.333 0.969 . . . . 0.0 111.449 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -50.47 73.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 117.646 0.203 . . . . 0.0 111.389 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.61 -34.07 77.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.067 -1.021 . . . . 0.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.12 -23.09 63.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.768 0.827 . . . . 0.0 109.57 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.3 -4.91 58.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.503 1.921 . . . . 0.0 108.596 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.54 27.56 61.06 Favored Glycine 0 C--N 1.343 0.945 0 C-N-CA 126.519 2.009 . . . . 0.0 115.406 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.65 143.52 12.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -138.75 104.38 5.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.61 178.8 48.21 Favored Glycine 0 N--CA 1.468 0.832 0 CA-C-N 120.4 1.455 . . . . 0.0 112.649 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.03 149.41 21.84 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.49 1.916 . . . . 0.0 110.937 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' ' CZ ' ' A' ' 31' ' ' PHE . 26.4 m95 -111.01 142.79 42.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.76 1.224 . . . . 0.0 114.198 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -133.51 160.08 38.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.719 2.408 . . . . 0.0 107.734 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -139.55 145.45 38.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.087 1.312 . . . . 0.0 113.971 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.29 96.81 4.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.863 2.065 . . . . 0.0 105.989 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.88 -17.7 63.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.805 0.842 . . . . 0.0 112.351 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.45 -28.55 65.4 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.32 1.048 . . . . 0.0 112.092 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 t -127.73 -22.34 3.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.826 1.651 . . . . 0.0 110.382 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.341 89.2 mttt 83.14 29.07 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 1 C-N-CA 133.427 4.691 . . . . 0.0 108.288 -179.854 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.9 m -80.31 127.66 32.64 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.694 1.998 . . . . 0.0 109.651 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -107.77 111.23 23.29 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 103.122 -2.918 . . . . 0.0 103.122 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -103.96 142.37 34.55 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.96 138.48 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -126.34 104.61 8.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.878 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 tpp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.95 45.7 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -97.82 135.97 38.81 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -122.12 140.42 52.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.352 1.061 . . . . 0.0 109.155 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -101.43 137.48 39.71 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.126 0.876 . . . . 0.0 109.921 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.59 108.03 13.54 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.064 1.346 . . . . 0.0 111.529 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 tt -124.3 125.49 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 127.31 2.244 . . . . 0.0 108.438 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.84 140.8 49.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.073 1.349 . . . . 0.0 111.608 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -121.18 123.54 42.52 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 172.06 21.92 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 127.361 2.41 . . . . 0.0 107.883 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -57.7 -52.2 66.42 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.252 3.9 t -123.98 -2.09 8.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.854 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.2 mt -115.02 115.95 27.66 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.03 1.332 . . . . 0.0 107.77 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.96 149.4 40.04 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.57 167.45 35.8 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.49 153.54 40.54 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 122.787 0.435 . . . . 0.0 111.078 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -156.35 -174.85 5.13 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.221 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.55 148.01 38.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -141.78 166.52 24.5 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.519 1.528 . . . . 0.0 109.299 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -130.92 149.26 52.63 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 127.248 2.219 . . . . 0.0 107.548 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.98 144.57 26.86 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 119.655 1.116 . . . . 0.0 109.188 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.04 -32.57 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -140.05 158.02 44.73 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.69 63.9 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.266 -0.896 . . . . 0.0 108.923 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.09 64.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.425 1.49 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -76.81 -33.68 57.96 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.182 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.86 74.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 32.9 tt0 -56.13 -35.81 67.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.992 1.717 . . . . 0.0 112.16 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.58 -52.68 9.25 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.785 0.834 . . . . 0.0 110.343 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.279 0.7 OUTLIER -59.64 -31.77 47.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 117.487 -1.244 . . . . 0.0 110.471 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.3 m-30 -55.39 -44.2 75.89 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.688 1.586 . . . . 0.0 110.171 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.22 -49.61 63.88 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 118.511 0.596 . . . . 0.0 110.517 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.73 -50.39 74.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.734 0.814 . . . . 0.0 111.314 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.63 -54.35 24.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.734 1.213 . . . . 0.0 112.943 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.21 72.24 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.686 -0.634 . . . . 0.0 111.356 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -55.98 -28.97 59.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.673 -0.68 . . . . 0.0 112.519 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.22 -29.35 65.64 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.164 0.986 . . . . 0.0 111.385 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -84.29 5.39 26.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.932 1.293 . . . . 0.0 111.41 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.24 38.2 92.91 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 120.394 1.452 . . . . 0.0 111.26 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.04 141.36 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -139.22 126.27 21.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.731 2.812 . . . . 0.0 104.112 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.75 173.68 26.48 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 121.82 2.1 . . . . 0.0 111.512 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -89.65 149.42 22.81 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.82 1.648 . . . . 0.0 109.549 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -111.0 127.4 55.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.97 156.09 35.46 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.1 2.16 . . . . 0.0 106.028 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.4 146.9 40.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.928 1.24 . . . . 0.0 112.893 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.53 97.87 5.49 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.631 2.372 . . . . 0.0 106.62 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.01 -25.05 64.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.52 68.28 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.467 0.707 . . . . 0.0 112.721 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -126.81 0.49 6.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.788 1.635 . . . . 0.0 111.016 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 37.9 mttp 59.21 24.73 13.18 Favored 'General case' 0 N--CA 1.436 -1.137 1 C-N-CA 132.07 4.148 . . . . 0.0 110.672 -179.268 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -75.05 127.08 32.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.849 1.66 . . . . 0.0 109.971 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.49 110.73 21.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.533 -2.766 . . . . 0.0 103.533 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.0 p -100.07 142.2 31.87 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.662 1.185 . . . . 0.0 111.129 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 t -128.13 138.81 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.78 1.632 . . . . 0.0 107.436 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -127.27 104.32 7.88 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.562 0.745 . . . . 0.0 110.832 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.45 -150.67 5.65 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.455 1.025 . . . . 0.0 112.999 167.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -112.6 154.79 25.47 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.808 1.643 . . . . 0.0 110.006 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -142.92 133.12 24.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.222 1.009 . . . . 0.0 111.784 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -92.57 149.72 21.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 150.46 45.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.911 1.284 . . . . 0.0 109.701 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -155.84 121.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.272 1.429 . . . . 0.0 109.449 165.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.0 mm? -86.65 143.47 27.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.831 1.252 . . . . 0.0 109.608 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -125.64 96.12 4.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.247 1.419 . . . . 0.0 110.186 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.24 178.88 18.85 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.099 0.857 . . . . 0.0 112.969 169.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -45.4 -53.64 8.4 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -139.28 28.31 2.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.819 1.648 . . . . 0.0 110.019 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -135.43 105.11 6.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.967 1.307 . . . . 0.0 109.758 -171.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.33 -174.05 3.12 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.69 139.46 3.88 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.11 0.862 . . . . 0.0 113.014 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.08 166.17 12.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.928 1.691 . . . . 0.0 108.696 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -169.39 162.13 10.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.889 1.676 . . . . 0.0 110.03 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -120.33 140.17 51.67 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.778 1.631 . . . . 0.0 109.953 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.51 155.31 43.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.673 1.589 . . . . 0.0 109.876 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -130.66 152.6 49.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.927 1.691 . . . . 0.0 108.71 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.9 26.67 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 110.575 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -89.19 -38.17 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.782 1.633 . . . . 0.0 109.07 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -133.82 155.8 49.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.62 1.968 . . . . 0.0 109.558 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.77 43.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.334 1.454 . . . . 0.0 110.576 -168.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.93 90.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.168 1.387 . . . . 0.0 110.665 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -48.36 -61.25 2.1 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.705 1.602 . . . . 0.0 109.932 167.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -47.07 81.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.111 1.364 . . . . 0.0 110.659 -173.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 8.7 tt0 -51.23 -43.16 61.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.933 1.693 . . . . 0.0 108.734 178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -76.75 -29.28 56.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -42.21 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.921 1.688 . . . . 0.0 108.991 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.1 m-30 -51.44 -37.52 49.1 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.628 1.171 . . . . 0.0 110.976 -174.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -85.02 -20.12 30.96 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.08 -61.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.306 1.042 . . . . 0.0 108.876 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CE1' HD21 ' A' ' 8' ' ' LEU . 18.2 t80 -46.14 -50.99 14.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.203 1.001 . . . . 0.0 111.815 -174.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -76.93 -42.48 39.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.145 1.378 . . . . 0.0 110.629 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -46.41 -35.87 5.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.356 1.462 . . . . 0.0 110.209 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.55 -22.32 64.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.626 1.97 . . . . 0.0 109.584 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.84 -13.89 19.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.313 1.445 . . . . 0.0 110.269 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.78 75.27 1.22 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.096 0.855 . . . . 0.0 113.033 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.7 m -122.45 143.13 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.931 1.692 . . . . 0.0 109.13 -172.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -147.93 61.38 1.12 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.607 1.963 . . . . 0.0 109.547 167.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.01 -140.59 5.98 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.085 0.85 . . . . 0.0 112.921 -163.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.75 139.72 19.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.94 1.696 . . . . 0.0 108.719 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.53 121.27 44.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.358 1.063 . . . . 0.0 111.74 -160.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.2 m -126.8 119.25 26.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.763 1.625 . . . . 0.0 109.996 -170.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -98.77 122.36 41.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.136 0.974 . . . . 0.0 111.796 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -98.86 116.04 30.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.655 1.982 . . . . 0.0 109.545 161.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.47 -12.3 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.686 1.995 . . . . 0.0 109.495 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.4 -66.09 0.59 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.163 1.385 . . . . 0.0 110.698 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.445 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -101.25 19.13 18.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.732 1.613 . . . . 0.0 109.929 169.228 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.7 mttt 47.51 42.4 14.54 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.8 m -86.75 131.68 34.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.78 1.632 . . . . 0.0 110.03 -170.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -99.76 100.88 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.701 1.201 . . . . 0.0 110.834 165.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 m -91.19 119.32 31.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.793 1.637 . . . . 0.0 109.93 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -112.28 125.15 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.847 1.659 . . . . 0.0 109.014 -175.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -113.51 135.92 53.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.695 1.598 . . . . 0.0 109.932 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.736 2.814 . . . . 0.0 108.694 161.532 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.0 165.21 33.61 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -77.91 143.58 37.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -130.5 138.54 50.3 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.59 138.77 36.21 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.99 110.59 16.0 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 120.774 -1.204 . . . . 0.0 110.911 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 tt -122.67 126.19 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.856 2.462 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.27 139.36 51.44 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.34 1.056 . . . . 0.0 109.75 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -124.03 67.72 1.05 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.803 0.841 . . . . 0.0 109.264 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.06 43.79 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.62 -49.33 75.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.037 -1.272 . . . . 0.0 111.791 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 0.5 OUTLIER -121.8 -9.08 8.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.13 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 137.0 52.45 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -142.44 166.11 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.882 0.873 . . . . 0.0 110.421 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.38 170.28 42.75 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -152.04 138.82 18.87 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.996 0.918 . . . . 0.0 108.964 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -142.94 173.24 11.73 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.11 142.87 49.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -144.92 163.26 34.67 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.54 143.34 50.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.462 2.305 . . . . 0.0 108.132 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.32 145.17 18.99 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.102 1.319 . . . . 0.0 110.2 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.0 -43.88 93.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.225 1.01 . . . . 0.0 111.126 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -139.96 158.3 44.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.24 64.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.807 -0.616 . . . . 0.0 109.505 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.47 65.75 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 110.598 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -67.81 -36.95 81.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.495 0.718 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.58 89.46 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.353 0.661 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.24 -40.87 68.14 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 111.003 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.67 -42.29 51.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.26 0.624 . . . . 0.0 111.425 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -32.99 60.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 CA-C-O 118.166 -0.921 . . . . 0.0 109.624 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -56.18 -44.83 79.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 119.988 1.267 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -66.59 -49.24 66.99 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.175 0.443 . . . . 0.0 110.164 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.57 -51.09 71.37 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.817 0.847 . . . . 0.0 111.881 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.23 -54.24 49.19 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.995 1.318 . . . . 0.0 111.514 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.65 95.66 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.202 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.18 -33.2 70.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.81 -26.47 68.64 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.751 0.705 . . . . 0.0 110.099 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.45 3.4 32.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.325 1.85 . . . . 0.0 110.101 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.57 36.61 88.48 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 126.989 2.233 . . . . 0.0 114.074 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.28 142.96 13.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.74 95.28 2.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.58 -176.5 40.64 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.518 1.963 . . . . 0.0 113.909 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -99.87 149.81 23.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.098 1.759 . . . . 0.0 110.4 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -105.37 133.25 50.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -128.97 157.11 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.843 2.457 . . . . 0.0 106.199 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 49.0 t80 -139.48 141.74 37.36 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.233 0.924 . . . . 0.0 111.497 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.85 95.41 4.91 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 102.971 -2.974 . . . . 0.0 102.971 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.9 -29.68 67.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.551 1.14 . . . . 0.0 113.619 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.16 65.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.264 1.026 . . . . 0.0 113.288 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -125.84 -1.49 7.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.306 1.843 . . . . 0.0 111.265 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.286 90.5 mttt 61.62 22.2 12.74 Favored 'General case' 0 N--CA 1.435 -1.191 1 C-N-CA 132.838 4.455 . . . . 0.0 110.112 -179.699 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -74.64 122.76 23.7 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.325 2.25 . . . . 0.0 111.706 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.15 110.96 23.23 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.176 -3.638 . . . . 0.0 101.176 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -105.83 134.24 49.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.965 1.306 . . . . 0.0 111.217 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.64 134.41 63.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 126.007 1.723 . . . . 0.0 107.449 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -127.76 118.4 23.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.395 1.478 . . . . 0.0 107.352 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-N 118.49 0.586 . . . . 0.0 110.325 179.172 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.44 -173.07 43.49 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -87.98 143.66 26.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.052 1.341 . . . . 0.0 107.618 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -130.8 127.99 39.78 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -101.81 133.81 45.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.583 1.083 . . . . 0.0 110.646 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.92 109.54 15.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.312 1.845 . . . . 0.0 112.514 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 tt -122.63 127.57 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.278 2.231 . . . . 0.0 109.464 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.03 139.3 51.39 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.631 1.172 . . . . 0.0 108.032 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -125.76 64.76 1.19 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.38 162.76 49.51 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -64.69 -32.79 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.287 -0.537 . . . . 0.0 111.594 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -121.29 -16.38 7.92 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.63 138.33 52.13 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 124.408 1.083 . . . . 0.0 109.77 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -142.17 144.9 33.65 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.35 171.21 44.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -148.14 131.17 16.28 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.998 1.319 . . . . 0.0 109.35 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 t -136.41 174.6 10.44 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.53 0.732 . . . . 0.0 110.581 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -145.17 145.99 31.58 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.982 1.313 . . . . 0.0 107.604 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -152.7 166.43 32.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.314 1.446 . . . . 0.0 109.988 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -111.87 148.76 32.95 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.153 2.181 . . . . 0.0 108.837 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.58 144.53 35.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.127 0.971 . . . . 0.0 108.496 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.9 -43.23 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.461 0.704 . . . . 0.0 110.64 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -152.44 159.23 43.4 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 128.423 2.689 . . . . 0.0 105.854 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -21.39 33.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.294 1.038 . . . . 0.0 113.767 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.91 70.53 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.979 1.263 . . . . 0.0 111.945 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -78.25 -37.75 44.47 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.574 -0.704 . . . . 0.0 109.656 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.99 75.71 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.931 0.892 . . . . 0.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.89 -36.03 64.73 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.437 -0.789 . . . . 0.0 111.948 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.62 -49.53 18.2 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.582 0.753 . . . . 0.0 109.643 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.81 -33.21 44.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.085 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -56.53 -44.48 80.86 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.974 1.261 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -71.71 -48.85 44.4 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.269 0.94 . . . . 0.0 110.184 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -57.92 -50.8 72.12 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.611 0.764 . . . . 0.0 112.38 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -65.79 -53.99 32.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.743 1.217 . . . . 0.0 110.873 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.68 75.7 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.957 0.344 . . . . 0.0 110.894 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -56.89 -32.91 66.37 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.277 0.49 . . . . 0.0 111.889 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.89 -24.6 67.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.444 0.565 . . . . 0.0 111.503 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.88 1.44 43.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.381 2.273 . . . . 0.0 110.131 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.55 95.5 Favored Glycine 0 C--N 1.347 1.143 0 O-C-N 120.659 -1.276 . . . . 0.0 112.701 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.74 141.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 119.322 3.082 . . . . 0.0 119.322 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -139.73 87.81 2.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.33 2.652 . . . . 0.0 106.956 175.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.9 -172.53 33.38 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 120.704 1.593 . . . . 0.0 115.884 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.07 149.67 21.73 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.613 2.765 . . . . 0.0 110.801 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -111.46 134.22 53.19 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 m -125.09 156.68 37.89 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.21 2.604 . . . . 0.0 105.736 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.32 143.64 37.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.789 1.177 . . . . 0.0 112.444 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 96.2 4.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.802 2.441 . . . . 0.0 105.577 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.07 -27.86 67.33 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.77 66.55 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.613 0.765 . . . . 0.0 112.424 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.19 7.43 5.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.014 1.726 . . . . 0.0 110.674 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.265 46.5 mttt 52.27 31.85 9.95 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 130.095 3.358 . . . . 0.0 109.932 -177.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -76.19 116.35 16.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 128.376 2.671 . . . . 0.0 111.295 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.09 110.85 23.4 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 m -105.02 142.33 35.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.662 0.785 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.02 137.59 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 126.42 1.888 . . . . 0.0 106.011 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 p -128.0 107.58 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.145 1.378 . . . . 0.0 110.668 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.372 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 118.087 -0.958 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.78 -171.77 24.14 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 119.907 1.23 . . . . 0.0 111.845 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.39 141.7 30.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 104.332 -2.469 . . . . 0.0 104.332 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -129.48 128.24 42.48 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -101.08 131.47 46.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.388 0.995 . . . . 0.0 110.06 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.87 115.59 23.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.41 -1.431 . . . . 0.0 113.142 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -122.65 132.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.689 2.396 . . . . 0.0 110.075 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.58 136.28 53.95 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.547 1.139 . . . . 0.0 109.811 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -115.19 70.18 0.74 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.98 159.3 45.41 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -63.93 -40.42 96.43 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.742 1.217 . . . . 0.0 110.629 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -121.33 -17.15 7.72 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -128.81 139.27 52.25 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.36 0.982 . . . . 0.0 109.58 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -142.54 161.43 38.08 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.335 0.654 . . . . 0.0 110.928 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.01 32.68 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.96 136.55 30.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -143.51 173.36 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 118.729 0.695 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -145.39 141.23 28.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -149.76 167.54 26.2 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 108.741 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -124.95 149.15 47.96 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.257 1.823 . . . . 0.0 108.3 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.77 39.52 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.705 1.139 . . . . 0.0 111.293 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.62 -45.95 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.274 1.029 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -147.71 158.79 44.18 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 127.308 2.243 . . . . 0.0 106.124 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -19.73 56.95 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.371 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.73 66.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.187 1.812 . . . . 0.0 110.905 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 m -65.48 -36.72 84.73 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.117 0.967 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.87 68.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.014 0.526 . . . . 0.0 109.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.11 -34.56 60.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.386 1.074 . . . . 0.0 111.048 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.67 -51.24 14.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.638 1.175 . . . . 0.0 108.754 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.61 49.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.154 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -56.34 -45.68 80.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.105 1.321 . . . . 0.0 111.928 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -75.21 -44.77 44.51 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 118.519 0.6 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -57.78 -50.45 73.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.389 0.676 . . . . 0.0 110.888 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -67.06 -54.79 18.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.754 0.821 . . . . 0.0 111.879 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.89 71.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 119.303 -0.38 . . . . 0.0 111.508 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.97 -29.25 59.95 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.263 0.625 . . . . 0.0 111.63 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.64 -24.71 67.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.091 0.86 . . . . 0.0 111.385 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -83.69 3.95 30.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.362 1.465 . . . . 0.0 108.803 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.13 38.66 96.5 Favored Glycine 0 C--N 1.343 0.955 0 O-C-N 120.603 -1.311 . . . . 0.0 111.293 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.56 142.96 13.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -139.3 106.44 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.166 3.387 . . . . 0.0 104.56 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.89 176.93 41.15 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.911 2.141 . . . . 0.0 114.075 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -85.54 149.28 25.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 128.551 2.74 . . . . 0.0 110.917 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -111.62 146.58 37.18 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.896 1.279 . . . . 0.0 113.65 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.1 m -136.63 156.49 48.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.846 2.459 . . . . 0.0 106.429 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 62.0 t80 -139.23 141.78 37.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.498 1.045 . . . . 0.0 112.641 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.88 97.08 4.69 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 129.471 3.108 . . . . 0.0 108.018 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.2 -24.45 59.13 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.47 69.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.742 1.155 . . . . 0.0 112.87 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.56 9.48 6.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.332 1.853 . . . . 0.0 110.245 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 68.9 mttt 52.35 33.95 13.96 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 130.776 3.63 . . . . 0.0 109.296 -178.429 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -75.02 115.34 14.54 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 129.187 2.995 . . . . 0.0 111.613 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.11 131.12 53.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 102.109 -3.293 . . . . 0.0 102.109 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.0 m -128.29 142.68 51.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.996 0.918 . . . . 0.0 110.459 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.37 138.59 53.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 126.987 2.115 . . . . 0.0 108.329 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.1 p -126.98 109.39 11.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.944 1.698 . . . . 0.0 109.707 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.981 0.913 . . . . 0.0 109.57 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.47 -167.77 28.63 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -107.02 143.87 34.49 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.621 0.768 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -133.6 137.65 45.57 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.909 1.683 . . . . 0.0 106.937 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -101.07 135.87 41.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.794 0.724 . . . . 0.0 110.408 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 31' ' ' PHE . 22.3 mt -121.23 109.04 14.48 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.194 1.398 . . . . 0.0 112.113 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tt -123.46 131.85 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 127.773 2.429 . . . . 0.0 110.38 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.05 140.82 49.41 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.943 2.097 . . . . 0.0 111.825 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -126.48 107.64 10.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.615 1.566 . . . . 0.0 109.906 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.7 -175.28 19.95 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.103 1.335 . . . . 0.0 111.812 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.66 -50.21 39.16 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.654 -0.91 . . . . 0.0 110.647 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.258 10.6 t -123.73 3.25 8.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.78 1.232 . . . . 0.0 113.032 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -128.3 145.0 51.19 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.504 1.047 . . . . 0.0 110.857 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -142.5 165.74 26.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.875 1.67 . . . . 0.0 109.073 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.3 156.96 25.4 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.73 127.68 4.83 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.268 1.027 . . . . 0.0 108.405 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -147.75 -178.44 6.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.911 0.863 . . . . 0.0 108.78 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 162.01 33.17 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 p -144.78 153.2 41.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 108.9 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.33 120.45 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 101.727 -3.434 . . . . 0.0 101.727 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.62 156.01 47.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.074 0.852 . . . . 0.0 111.464 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.02 -45.61 95.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 124.499 1.12 . . . . 0.0 110.55 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -149.42 159.94 43.86 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.36 1.464 . . . . 0.0 109.354 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.17 66.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.714 -0.66 . . . . 0.0 112.564 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -32.88 74.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.49 1.496 . . . . 0.0 110.059 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -73.2 -38.13 66.21 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.338 1.055 . . . . 0.0 109.544 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.39 78.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.104 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -53.81 -34.79 60.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.613 1.165 . . . . 0.0 111.139 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -76.85 -52.7 9.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.06 1.344 . . . . 0.0 109.851 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -33.06 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.618 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 6' ' ' LEU . 15.9 m-30 -55.61 -40.98 72.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.218 1.372 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -71.25 -34.76 71.04 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.033 0.933 . . . . 0.0 112.062 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -51.0 10.55 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 118.646 0.657 . . . . 0.0 110.022 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -54.18 -55.22 30.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.779 1.632 . . . . 0.0 113.118 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -68.5 -34.32 75.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -57.47 -30.85 65.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.276 0.489 . . . . 0.0 111.453 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.99 -25.88 67.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.857 0.753 . . . . 0.0 111.084 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.55 0.26 50.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.924 2.09 . . . . 0.0 109.807 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.32 93.6 Favored Glycine 0 C--N 1.343 0.964 0 C-N-CA 125.937 1.732 . . . . 0.0 113.015 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 ' HB1' ' A' ' 35' ' ' ALA . 16.1 m -85.31 141.36 14.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 118.941 1.37 . . . . 0.0 113.909 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -139.57 65.61 1.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.77 -174.3 17.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.07 148.99 26.52 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 130.498 3.519 . . . . 0.0 111.313 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -113.43 145.97 40.3 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.71 154.57 45.39 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.456 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 67.4 t80 -135.89 137.48 41.46 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.436 0.695 . . . . 0.0 111.61 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.79 108.39 10.69 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.047 1.739 . . . . 0.0 107.667 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.55 -10.77 8.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.815 2.046 . . . . 0.0 115.939 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.59 72.06 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 120.068 1.304 . . . . 0.0 112.085 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 -6.41 5.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.274 1.83 . . . . 0.0 109.593 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 73.3 mttt 73.24 38.81 0.65 Allowed 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 129.879 3.272 . . . . 0.0 105.418 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -87.6 129.06 35.24 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 125.361 1.464 . . . . 0.0 112.434 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.43 ' HB2' HD23 ' A' ' 6' ' ' LEU . 78.2 m-85 -103.94 136.16 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -134.54 142.34 46.96 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.148 0.28 . . . . 0.0 110.696 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.86 136.52 60.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 126.214 1.806 . . . . 0.0 106.654 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -128.37 105.21 8.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.609 1.164 . . . . 0.0 108.419 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.64 46.74 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -95.78 143.66 26.82 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -135.52 128.27 31.03 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -102.23 130.67 48.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.464 1.029 . . . . 0.0 109.836 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.53 112.54 18.15 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.83 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.96 131.5 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 128.237 2.615 . . . . 0.0 107.774 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.95 139.45 51.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.32 1.448 . . . . 0.0 109.094 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -125.02 86.9 2.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.056 0.942 . . . . 0.0 109.175 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.05 176.51 49.46 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.134 -1.587 . . . . 0.0 109.134 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -62.66 -50.93 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.05 -1.265 . . . . 0.0 110.978 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.275 4.2 t -123.25 4.12 9.18 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.175 0.99 . . . . 0.0 113.401 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.29 147.67 50.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.855 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -142.31 148.16 37.53 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.62 149.8 16.05 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.92 163.21 38.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 117.777 0.789 . . . . 0.0 111.322 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -156.92 170.64 22.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.788 0.804 . . . . 0.0 108.971 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -142.5 140.02 31.71 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -147.35 166.12 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -128.08 114.18 16.72 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 103.52 -2.771 . . . . 0.0 103.52 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.55 148.32 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.24 1.016 . . . . 0.0 111.748 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.76 -45.96 94.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.84 1.256 . . . . 0.0 110.731 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -141.56 158.98 43.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.709 1.604 . . . . 0.0 107.223 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.66 65.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.43 67.26 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.684 1.583 . . . . 0.0 108.801 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -65.04 -41.53 95.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.96 94.84 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -54.21 -41.27 68.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.383 1.073 . . . . 0.0 109.875 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.67 -52.82 40.48 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.397 -0.815 . . . . 0.0 111.259 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.63 -33.0 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.124 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -56.19 -40.66 74.31 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 110.109 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -49.59 14.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 120.187 1.358 . . . . 0.0 111.701 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -52.38 64.07 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.34 -52.16 62.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.231 1.378 . . . . 0.0 112.515 -177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.39 93.9 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.375 0.67 . . . . 0.0 110.361 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.32 -36.96 85.65 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.804 0.729 . . . . 0.0 110.588 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.82 -24.65 65.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.801 0.84 . . . . 0.0 109.721 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -83.55 -3.08 57.34 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.367 2.267 . . . . 0.0 109.694 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.86 38.9 56.05 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.024 1.774 . . . . 0.0 116.135 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 m -81.16 140.52 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.654 1.727 . . . . 0.0 112.279 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 66.01 1.43 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.77 -163.82 11.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.14 -0.975 . . . . 0.0 114.593 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.42 149.54 30.12 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.728 2.011 . . . . 0.0 110.425 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -101.15 136.14 41.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.103 1.761 . . . . 0.0 114.899 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.6 p -120.78 162.1 20.33 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.613 2.365 . . . . 0.0 107.922 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -139.78 140.67 36.74 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -129.28 96.75 4.38 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 107.209 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.95 -22.64 64.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.6 -26.67 61.86 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.864 0.866 . . . . 0.0 113.13 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -17.54 4.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.224 1.81 . . . . 0.0 110.296 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mttm 74.27 33.57 0.89 Allowed 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 131.381 3.872 . . . . 0.0 104.907 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 m -76.65 135.79 39.14 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.394 1.477 . . . . 0.0 108.939 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.95 110.9 16.84 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 101.824 -3.398 . . . . 0.0 101.824 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 m -111.39 141.76 44.52 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -129.94 136.49 58.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 125.777 1.631 . . . . 0.0 106.848 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -128.11 116.28 19.73 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.85 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.48 -164.22 20.46 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 119.373 0.988 . . . . 0.0 112.921 171.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -97.48 139.19 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.674 1.59 . . . . 0.0 109.97 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.95 137.84 54.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.197 0.999 . . . . 0.0 111.763 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -102.59 154.59 18.98 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 144.75 30.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.792 1.237 . . . . 0.0 109.666 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -152.9 133.09 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.281 1.432 . . . . 0.0 109.522 163.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -97.08 143.01 28.32 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.936 1.294 . . . . 0.0 109.733 170.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.59 114.39 18.02 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.252 1.421 . . . . 0.0 110.247 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.49 -178.18 16.47 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.142 0.877 . . . . 0.0 112.981 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.94 -54.63 32.09 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -135.44 34.22 3.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.742 1.617 . . . . 0.0 109.955 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -138.05 145.88 42.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.847 1.259 . . . . 0.0 109.691 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -166.37 160.47 15.72 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.97 145.88 4.22 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.043 0.83 . . . . 0.0 112.913 173.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.66 162.35 27.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.834 1.654 . . . . 0.0 108.325 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 t -166.09 171.56 12.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 127.185 2.194 . . . . 0.0 110.348 -173.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -137.75 154.45 49.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.932 1.693 . . . . 0.0 109.969 171.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -134.71 168.51 18.88 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.703 1.601 . . . . 0.0 109.987 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -134.19 129.56 35.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.883 1.673 . . . . 0.0 108.685 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.11 147.01 49.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.166 1.386 . . . . 0.0 110.709 -170.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -80.46 -32.61 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.948 1.699 . . . . 0.0 108.98 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -138.39 155.15 48.78 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.632 1.973 . . . . 0.0 109.549 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -14.91 63.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.108 1.363 . . . . 0.0 110.529 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.59 84.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.162 1.385 . . . . 0.0 110.625 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 m -65.7 -54.76 23.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.679 1.591 . . . . 0.0 109.987 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.72 7.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.161 1.384 . . . . 0.0 110.64 166.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 36.0 tt0 -62.11 -31.53 72.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.904 1.681 . . . . 0.0 108.636 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.33 -42.38 75.4 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.18 -46.67 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.781 1.632 . . . . 0.0 109.006 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -48.03 -46.98 33.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 110.804 -170.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.29 -42.57 68.53 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.2 -54.78 7.03 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.317 1.047 . . . . 0.0 108.869 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' HD21 ' A' ' 8' ' ' LEU . 20.9 t80 -57.87 -45.13 86.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.21 1.004 . . . . 0.0 111.838 -168.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.61 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.173 1.389 . . . . 0.0 110.531 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.11 -24.93 60.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.288 1.435 . . . . 0.0 110.233 173.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.56 -28.22 56.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.667 1.987 . . . . 0.0 109.516 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.05 -7.25 49.3 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.315 1.446 . . . . 0.0 110.301 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.07 74.93 1.03 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.057 0.836 . . . . 0.0 113.034 167.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m -122.06 147.38 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.83 1.652 . . . . 0.0 109.012 -170.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -149.43 57.48 1.0 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.553 1.941 . . . . 0.0 109.489 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.02 -132.86 3.56 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.209 0.909 . . . . 0.0 112.973 -170.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.61 144.01 17.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.017 1.727 . . . . 0.0 108.717 -168.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -112.17 124.67 52.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.391 1.076 . . . . 0.0 111.599 -161.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -130.42 159.98 35.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.717 1.607 . . . . 0.0 109.866 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.21 140.1 39.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.21 1.004 . . . . 0.0 111.783 -161.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -128.29 113.72 16.0 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.719 2.007 . . . . 0.0 109.542 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -80.29 14.92 1.74 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.594 1.958 . . . . 0.0 109.613 -163.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.62 -51.6 6.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.165 1.386 . . . . 0.0 110.597 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.0 t -116.72 14.94 15.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.677 1.591 . . . . 0.0 109.853 166.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 52.51 48.57 22.29 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -78.51 136.16 37.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.699 1.6 . . . . 0.0 109.963 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -101.97 108.81 20.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.673 1.189 . . . . 0.0 110.895 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -86.97 128.91 35.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.736 1.614 . . . . 0.0 109.909 176.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.83 120.15 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.915 1.686 . . . . 0.0 109.111 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.4 m -116.3 119.91 37.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.779 1.632 . . . . 0.0 109.929 168.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.257 1.471 0 C-N-CA 128.643 2.777 . . . . 0.0 108.698 171.11 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.65 -128.24 0.94 Allowed Glycine 0 CA--C 1.526 0.771 0 CA-C-N 119.408 1.004 . . . . 0.0 113.057 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.6 135.65 51.51 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.865 1.666 . . . . 0.0 110.018 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -110.71 123.91 50.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.278 1.031 . . . . 0.0 111.76 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -88.79 149.19 23.54 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 169.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.39 37.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.899 1.28 . . . . 0.0 109.712 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -151.83 137.27 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.322 1.449 . . . . 0.0 109.52 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 34' ' ' TYR . 1.3 mm? -104.67 150.5 24.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.862 1.265 . . . . 0.0 109.708 171.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -131.95 98.52 4.47 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.285 1.434 . . . . 0.0 110.23 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.98 178.63 18.83 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.041 0.829 . . . . 0.0 113.022 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -60.14 -55.84 28.89 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.94 23.07 10.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.676 1.591 . . . . 0.0 109.882 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.9 134.61 31.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.902 1.281 . . . . 0.0 109.634 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -155.46 -178.02 6.97 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.91 153.44 6.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.132 0.872 . . . . 0.0 113.017 174.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -134.86 151.9 51.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.979 1.712 . . . . 0.0 108.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -163.88 176.27 9.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.853 1.661 . . . . 0.0 110.015 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -146.91 151.64 37.38 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.792 1.637 . . . . 0.0 109.926 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -145.58 156.12 43.48 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.763 1.625 . . . . 0.0 110.013 -165.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -123.25 144.27 49.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.027 1.731 . . . . 0.0 108.752 171.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 26' ' ' THR . . . -150.94 141.43 22.51 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.105 1.362 . . . . 0.0 110.576 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.17 -39.78 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.88 1.672 . . . . 0.0 108.998 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -129.24 160.37 33.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.656 1.982 . . . . 0.0 109.592 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.26 -31.4 72.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.074 1.349 . . . . 0.0 110.634 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.7 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.128 1.371 . . . . 0.0 110.71 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.468 ' HB ' ' HB1' ' A' ' 21' ' ' ALA . 28.2 m -48.82 -58.69 4.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.725 1.61 . . . . 0.0 109.908 171.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' ' CZ ' ' A' ' 31' ' ' PHE . . . -54.59 -59.54 4.56 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.172 1.389 . . . . 0.0 110.639 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 52.2 tt0 -51.79 -40.3 60.15 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.908 1.683 . . . . 0.0 108.69 -171.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -67.37 -31.39 71.59 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.57 -42.24 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.95 1.7 . . . . 0.0 109.023 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CZ ' ' HB1' ' A' ' 27' ' ' ALA . 17.9 m-30 -56.45 -43.22 79.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.741 1.216 . . . . 0.0 110.861 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -79.28 -20.43 48.05 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.82 -56.16 3.99 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.348 1.059 . . . . 0.0 108.841 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CE1' HD21 ' A' ' 8' ' ' LEU . 17.2 t80 -59.66 -39.55 84.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.188 0.995 . . . . 0.0 111.857 -164.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.59 20.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.182 1.393 . . . . 0.0 110.651 -172.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -61.33 -26.93 68.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.276 1.43 . . . . 0.0 110.327 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.15 -31.4 64.23 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.668 1.987 . . . . 0.0 109.574 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -33.36 62.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.386 1.474 . . . . 0.0 110.27 169.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.84 91.4 1.05 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.127 0.87 . . . . 0.0 113.138 -170.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.43 149.51 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.851 1.661 . . . . 0.0 108.961 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.05 52.69 1.02 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.621 1.968 . . . . 0.0 109.589 172.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.05 -136.66 5.26 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.166 0.889 . . . . 0.0 113.054 -170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 142.12 21.85 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.938 1.695 . . . . 0.0 108.703 -172.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -108.97 131.79 54.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.385 1.074 . . . . 0.0 111.683 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 p -123.62 142.97 50.53 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.74 1.616 . . . . 0.0 109.904 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -114.53 133.48 55.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.244 1.017 . . . . 0.0 111.784 -170.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.21 110.38 15.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.7 2.0 . . . . 0.0 109.561 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.21 -16.34 61.42 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.649 1.979 . . . . 0.0 109.596 -170.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.58 -54.4 11.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.061 1.344 . . . . 0.0 110.693 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -128.36 29.53 5.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.756 1.622 . . . . 0.0 110.026 174.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mttm 39.09 49.38 1.64 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -93.46 122.44 35.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.789 1.636 . . . . 0.0 109.975 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -90.47 120.44 31.57 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.766 1.226 . . . . 0.0 110.851 168.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.06 129.03 54.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.766 1.626 . . . . 0.0 109.945 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.68 140.2 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.927 1.691 . . . . 0.0 108.973 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.6 m -141.82 126.74 18.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.714 1.605 . . . . 0.0 109.93 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.258 1.5 0 C-N-CA 128.79 2.836 . . . . 0.0 108.678 -178.401 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.82 -174.65 45.82 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -102.14 139.67 37.44 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 60.3 m-85 -131.64 131.0 42.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.788 1.235 . . . . 0.0 109.979 -177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -100.93 128.06 47.13 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.401 1.455 . . . . 0.0 110.975 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.92 115.11 21.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.481 1.912 . . . . 0.0 113.7 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.07 131.33 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 128.079 2.552 . . . . 0.0 111.007 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.36 140.4 48.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.833 2.053 . . . . 0.0 109.112 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.79 73.84 1.49 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 113.403 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.34 169.21 51.85 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.81 -46.31 74.49 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.345 -1.091 . . . . 0.0 110.273 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -122.09 14.82 10.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.21 1.404 . . . . 0.0 112.492 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.2 146.89 51.02 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.37 1.441 . . . . 0.0 110.761 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -143.08 162.99 34.07 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.108 1.363 . . . . 0.0 110.11 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.27 151.86 7.5 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 126.044 1.783 . . . . 0.0 109.899 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.31 138.55 26.45 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.27 17.6 m -145.32 163.72 33.67 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.122 -0.986 . . . . 0.0 110.5 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 140.38 40.17 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 p -137.65 164.0 29.88 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.713 1.205 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.56 146.72 50.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.38 29.61 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.554 0.616 . . . . 0.0 110.32 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.5 -45.9 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.747 1.219 . . . . 0.0 109.336 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.57 157.62 45.2 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -18.98 65.68 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -46.14 77.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 120.819 1.645 . . . . 0.0 111.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 m -65.17 -32.97 74.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.092 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -50.35 69.04 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.26 -40.36 93.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.64 0.654 . . . . 0.0 110.452 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -61.71 -52.59 63.66 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.29 0.636 . . . . 0.0 110.319 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -33.58 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-O 116.547 -1.692 . . . . 0.0 110.01 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -56.41 -44.39 80.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 120.904 1.684 . . . . 0.0 113.045 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.21 -49.97 67.69 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 120.286 1.403 . . . . 0.0 110.661 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -49.13 72.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.769 0.713 . . . . 0.0 111.936 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.24 -54.8 30.82 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 124.815 1.246 . . . . 0.0 111.314 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.02 69.12 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.803 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.86 -29.95 67.35 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.15 -15.68 63.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.619 0.768 . . . . 0.0 110.459 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.18 14.8 15.09 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.839 2.456 . . . . 0.0 109.959 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.2 39.88 95.09 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 127.506 2.479 . . . . 0.0 115.469 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -95.39 139.04 19.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 119.195 3.035 . . . . 0.0 119.195 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.59 101.26 4.05 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 100.573 -3.862 . . . . 0.0 100.573 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.88 -168.86 34.74 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 121.876 2.126 . . . . 0.0 114.934 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -104.94 149.49 25.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.193 1.797 . . . . 0.0 111.45 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -110.85 132.18 54.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.533 1.933 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 p -116.56 163.91 15.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.159 2.184 . . . . 0.0 107.726 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 48.1 t80 -139.78 140.56 36.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.11 96.94 4.61 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.934 2.493 . . . . 0.0 106.224 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.24 -22.73 63.39 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.65 77.51 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.35 -0.844 . . . . 0.0 113.201 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.87 13.48 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 127.39 2.276 . . . . 0.0 110.612 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 4' ' ' TYR . 58.7 mttt 46.05 42.52 9.67 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.398 3.079 . . . . 0.0 107.951 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -79.59 116.02 19.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.109 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -105.04 110.79 23.32 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.302 -3.221 . . . . 0.0 102.302 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 m -109.7 142.61 40.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.363 1.065 . . . . 0.0 108.827 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -129.02 137.02 58.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 m -127.85 117.5 21.94 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.774 1.23 . . . . 0.0 107.812 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 116.718 -1.61 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.8 175.46 40.75 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 121.826 2.103 . . . . 0.0 112.496 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -92.79 144.41 25.32 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -138.12 135.02 35.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -100.81 137.8 38.71 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 109.599 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -121.28 109.42 14.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 114.549 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -123.51 129.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 126.166 1.786 . . . . 0.0 109.337 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.6 138.94 52.23 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.822 2.049 . . . . 0.0 107.271 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.52 118.94 25.93 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.393 1.077 . . . . 0.0 109.441 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.69 170.47 13.28 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.987 1.756 . . . . 0.0 109.482 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -55.66 -50.5 70.07 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.203 -0.586 . . . . 0.0 111.466 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -123.69 3.51 8.9 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mp -127.88 152.24 48.09 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.791 1.178 . . . . 0.0 109.813 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -142.83 164.94 28.72 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.121 0.968 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.93 128.98 1.99 Allowed Glycine 0 C--O 1.226 -0.345 0 N-CA-C 107.213 -2.355 . . . . 0.0 107.213 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -135.6 126.71 27.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.243 1.521 . . . . 0.0 107.777 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -151.38 -178.3 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 110.745 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -130.34 157.54 42.27 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.192 1.797 . . . . 0.0 106.212 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 p -149.68 159.29 44.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.508 1.123 . . . . 0.0 109.046 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -130.18 148.9 52.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.68 144.44 35.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.573 -0.704 . . . . 0.0 110.297 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -65.58 -39.47 85.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.93 157.65 45.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.716 2.406 . . . . 0.0 106.314 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -19.42 62.07 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.31 70.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.224 0.92 . . . . 0.0 112.541 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -27.7 67.98 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.988 0.813 . . . . 0.0 112.671 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -40.93 80.28 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.45 -30.93 67.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.566 0.747 . . . . 0.0 111.289 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -73.82 -49.03 27.13 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.472 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.44 -34.86 59.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 123.567 0.747 . . . . 0.0 109.788 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -53.7 -44.53 69.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 119.184 0.902 . . . . 0.0 110.957 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -74.65 -48.03 28.58 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.17 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.56 -51.64 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.39 -48.13 43.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.793 -0.567 . . . . 0.0 110.775 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.33 73.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.648 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.65 -29.26 69.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.745 1.157 . . . . 0.0 111.095 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.36 -25.09 67.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.509 0.724 . . . . 0.0 109.905 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -84.45 -4.69 59.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.479 1.511 . . . . 0.0 110.871 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.54 94.13 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 119.702 1.137 . . . . 0.0 111.403 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.01 142.94 13.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -139.06 90.87 2.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 126.545 1.938 . . . . 0.0 105.917 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.82 -172.26 36.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 121.552 1.978 . . . . 0.0 115.793 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.23 149.0 21.64 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 129.243 3.017 . . . . 0.0 110.726 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -111.26 131.16 55.36 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.006 0.922 . . . . 0.0 113.416 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -130.39 156.29 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 7.9 t80 -139.87 146.76 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -129.7 121.14 26.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.581 1.552 . . . . 0.0 109.744 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.89 -14.79 62.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.04 70.2 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.687 1.13 . . . . 0.0 112.062 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -1.83 6.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.919 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 63.0 mttm 67.78 35.02 4.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 130.071 3.348 . . . . 0.0 104.863 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -77.27 145.7 37.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.588 2.355 . . . . 0.0 111.591 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -121.53 131.52 54.19 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 129.198 2.999 . . . . 0.0 102.965 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 p -126.55 135.99 51.99 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.899 1.68 . . . . 0.0 110.95 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.21 132.25 65.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 125.686 1.595 . . . . 0.0 107.481 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -127.87 104.67 7.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.381 0.672 . . . . 0.0 109.379 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.243 0.718 0 C-N-CA 125.659 1.584 . . . . 0.0 107.687 178.368 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.84 179.41 47.24 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 120.009 -1.091 . . . . 0.0 114.131 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -70.3 145.64 51.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.774 2.03 . . . . 0.0 109.793 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -138.4 126.49 22.74 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.667 -2.346 . . . . 0.0 104.667 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -102.26 126.6 49.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.34 115.32 23.32 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.191 1.397 . . . . 0.0 113.168 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -122.58 132.58 70.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 127.936 2.494 . . . . 0.0 109.247 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.21 132.06 56.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.184 2.194 . . . . 0.0 105.25 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.25 71.81 1.28 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.816 1.246 . . . . 0.0 110.177 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.54 174.19 50.78 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.36 -48.8 74.13 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 121.431 -1.041 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -121.7 4.0 10.07 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -128.11 141.64 51.43 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.671 1.188 . . . . 0.0 108.126 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -143.17 150.8 39.9 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.32 148.03 11.68 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -147.14 146.26 29.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.388 1.094 . . . . 0.0 110.347 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -156.76 171.93 19.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 111.095 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -141.57 151.65 43.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 128.148 2.579 . . . . 0.0 105.026 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -166.77 166.95 15.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.4 127.26 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.3 145.4 44.01 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 122.195 0.998 . . . . 0.0 112.061 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.78 -31.97 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -154.09 159.34 41.46 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.875 0.761 . . . . 0.0 110.218 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.3 75.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.668 0.787 . . . . 0.0 109.607 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.03 74.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 110.342 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -70.2 -43.76 70.06 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.05 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.991 0.916 . . . . 0.0 108.804 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.67 -34.59 59.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.732 2.013 . . . . 0.0 111.642 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -72.91 -47.97 41.16 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.888 -0.508 . . . . 0.0 111.017 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.47 -32.47 57.87 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.019 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -55.15 -44.03 74.78 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.28 0.945 . . . . 0.0 110.743 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -66.05 -49.87 66.14 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.571 1.078 . . . . 0.0 112.247 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -67.89 -50.61 55.33 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.49 -0.766 . . . . 0.0 112.988 -178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.82 -41.17 97.44 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 119.201 0.909 . . . . 0.0 111.116 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.79 66.53 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.702 -0.624 . . . . 0.0 109.746 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.6 -33.96 76.04 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.292 0.951 . . . . 0.0 110.989 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.81 -24.75 67.65 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.12 0.968 . . . . 0.0 109.571 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -83.49 0.59 45.7 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.693 1.997 . . . . 0.0 109.883 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.25 36.06 92.35 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.753 1.644 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.94 141.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -139.44 65.42 1.44 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.68 -173.3 15.08 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 114.849 0.7 . . . . 0.0 114.849 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -99.93 150.41 22.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 129.49 3.116 . . . . 0.0 111.031 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -109.7 129.64 55.59 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 p -119.44 164.72 15.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.157 1.783 . . . . 0.0 107.373 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.34 143.32 39.85 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.54 97.62 4.76 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 128.656 2.782 . . . . 0.0 106.918 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.76 -10.86 40.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.85 -39.64 74.65 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.26 1.024 . . . . 0.0 111.08 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.2 -10.46 5.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 110.027 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.284 48.0 mttm 81.76 36.86 0.07 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 130.77 3.628 . . . . 0.0 107.714 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -75.43 116.04 15.73 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 129.258 3.023 . . . . 0.0 110.878 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.43 125.56 50.74 Favored 'General case' 0 N--CA 1.446 -0.666 1 N-CA-C 99.633 -4.21 . . . . 0.0 99.633 175.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -126.23 138.55 53.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.78 131.37 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 125.597 1.559 . . . . 0.0 109.664 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -128.28 122.7 32.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.246 0.889 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 178.428 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.28 177.48 48.29 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 120.059 1.299 . . . . 0.0 112.37 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 10.1 t -89.96 144.84 25.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.83 132.08 43.4 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -101.13 133.93 44.92 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.2 109.38 15.35 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 126.26 1.824 . . . . 0.0 112.643 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tt -123.37 131.53 72.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 127.507 2.323 . . . . 0.0 109.186 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.39 133.08 56.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.469 1.908 . . . . 0.0 108.653 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -123.49 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.513 1.525 . . . . 0.0 107.562 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.02 176.05 29.11 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.566 1.079 . . . . 0.0 110.537 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.63 -49.13 76.41 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.961 0.904 . . . . 0.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.9 1.21 9.29 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.83 1.252 . . . . 0.0 113.787 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 mt -128.44 134.0 48.66 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.615 1.166 . . . . 0.0 110.472 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -142.03 134.32 27.83 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.74 157.22 29.18 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.42 158.72 44.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.537 0.669 . . . . 0.0 111.518 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -155.04 172.04 18.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -144.37 142.7 30.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -155.07 167.44 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 25.4 tt0 -116.34 143.81 45.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 109.115 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.93 144.4 43.42 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.918 0.887 . . . . 0.0 112.275 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.72 -31.1 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.752 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -150.08 157.96 43.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -22.9 58.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.921 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.91 71.09 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.799 1.636 . . . . 0.0 109.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.8 m -70.65 -41.09 72.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.8 73.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.28 1.032 . . . . 0.0 108.868 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.67 -41.02 66.43 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.015 1.326 . . . . 0.0 110.23 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -67.65 -48.28 67.12 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 111.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.71 -33.75 65.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -56.18 -43.92 78.89 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.7 1.136 . . . . 0.0 111.215 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -65.62 -49.97 66.78 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.6 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -51.57 61.48 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.602 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -57.17 -53.34 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.297 1.039 . . . . 0.0 112.966 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -65.27 -43.91 89.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.297 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.16 -33.52 75.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.213 0.915 . . . . 0.0 111.768 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.715 1.206 . . . . 0.0 109.777 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.75 -0.98 57.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.368 2.667 . . . . 0.0 110.001 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.94 35.65 79.64 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.204 1.859 . . . . 0.0 115.377 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.5 m -83.56 144.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -138.73 84.39 2.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.18 -177.85 38.53 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.291 1.405 . . . . 0.0 115.845 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -96.53 147.99 23.29 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.494 3.118 . . . . 0.0 111.118 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -112.26 132.67 54.81 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 118.209 2.67 . . . . 0.0 118.209 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 p -121.68 160.94 23.42 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.047 2.539 . . . . 0.0 106.97 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 63.6 t80 -139.25 144.48 38.44 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.449 1.022 . . . . 0.0 112.455 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.35 106.9 9.33 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.52 -12.45 15.28 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -47.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.155 1.382 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.361 0.5 OUTLIER -127.55 6.43 6.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.934 0.894 . . . . 0.0 110.402 178.329 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.273 63.4 mttm 64.27 32.71 12.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 131.119 3.768 . . . . 0.0 109.011 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -73.4 124.58 26.05 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 129.362 3.065 . . . . 0.0 112.52 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -107.62 111.12 23.19 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -105.61 135.16 47.53 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.48 132.65 66.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 125.535 1.534 . . . . 0.0 107.164 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 m -128.46 104.5 7.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.598 1.559 . . . . 0.0 108.221 178.653 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 117.8 -1.095 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.21 -169.96 12.04 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 119.421 1.009 . . . . 0.0 113.055 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -115.42 142.37 46.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.778 1.631 . . . . 0.0 109.891 168.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.22 119.3 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.336 1.054 . . . . 0.0 111.77 -169.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -83.29 152.54 25.09 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -143.56 138.87 29.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.976 1.31 . . . . 0.0 109.764 -177.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tt -149.92 120.71 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.348 1.459 . . . . 0.0 109.608 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.1 mm? -86.87 164.44 16.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 0.0 109.622 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -126.44 122.13 34.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.307 1.443 . . . . 0.0 110.276 162.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.66 156.0 23.95 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.092 0.853 . . . . 0.0 113.032 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -45.91 -63.79 0.89 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 p -98.05 -34.61 10.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.736 1.615 . . . . 0.0 110.022 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -125.72 141.41 52.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.892 1.277 . . . . 0.0 109.668 -160.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -127.49 -179.34 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 154.35 10.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.015 0.817 . . . . 0.0 112.935 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.93 154.35 49.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.866 1.667 . . . . 0.0 108.643 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -168.05 175.03 6.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.601 1.56 . . . . 0.0 109.825 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -131.68 164.24 26.37 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.912 1.685 . . . . 0.0 109.951 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 p -135.04 162.69 31.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 109.899 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -134.86 120.57 19.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.956 1.702 . . . . 0.0 108.69 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.29 147.77 42.27 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.218 1.407 . . . . 0.0 110.661 -162.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 m -84.89 -24.07 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.842 1.657 . . . . 0.0 108.952 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.51 162.02 39.22 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.593 1.957 . . . . 0.0 109.534 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.57 59.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.302 1.441 . . . . 0.0 110.717 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.12 -32.84 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.148 1.379 . . . . 0.0 110.659 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -61.46 -52.1 65.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.664 1.586 . . . . 0.0 109.895 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.2 66.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.223 1.409 . . . . 0.0 110.601 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -51.62 -40.91 60.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.884 1.673 . . . . 0.0 108.767 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -69.97 -46.69 64.7 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.92 -50.55 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.092 1.757 . . . . 0.0 108.967 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -42.5 -51.5 5.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.763 1.225 . . . . 0.0 110.859 -172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -68.59 -35.1 76.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.81 -42.95 18.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.404 1.082 . . . . 0.0 108.864 -175.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HD13 ' A' ' 6' ' ' LEU . 45.8 t80 -56.17 -63.71 1.1 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.261 1.024 . . . . 0.0 111.792 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.32 61.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.091 1.356 . . . . 0.0 110.739 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.44 -22.03 66.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 110.201 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -74.52 -25.43 59.34 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.536 1.935 . . . . 0.0 109.619 170.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -12.09 31.09 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.34 1.456 . . . . 0.0 110.246 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.76 76.36 0.6 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.051 0.834 . . . . 0.0 113.026 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.85 144.05 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.887 1.675 . . . . 0.0 108.992 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -148.17 46.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.644 1.977 . . . . 0.0 109.543 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 -136.31 6.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.103 0.858 . . . . 0.0 113.019 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -146.55 151.82 37.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.945 1.698 . . . . 0.0 108.784 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -120.22 131.93 55.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.438 1.095 . . . . 0.0 111.672 -160.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -129.12 131.35 47.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 109.859 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.8 138.35 42.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.224 1.01 . . . . 0.0 111.721 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -135.09 124.62 25.01 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.675 1.99 . . . . 0.0 109.611 171.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.94 -11.42 59.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.595 1.958 . . . . 0.0 109.566 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.6 -53.48 23.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.155 1.382 . . . . 0.0 110.547 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 52' ' ' THR . 1.4 t -123.6 27.91 7.19 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.784 1.634 . . . . 0.0 109.924 163.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 49.83 43.45 24.89 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.8 t -91.13 145.72 24.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.606 1.562 . . . . 0.0 109.986 -170.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -112.99 117.61 32.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.743 1.217 . . . . 0.0 110.819 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -105.13 128.25 53.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.738 1.615 . . . . 0.0 109.889 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -108.59 132.01 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.791 1.636 . . . . 0.0 108.914 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.3 m -120.96 118.03 28.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.67 1.588 . . . . 0.0 109.947 168.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.257 1.453 0 C-N-CA 128.723 2.809 . . . . 0.0 108.772 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttm . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.59 -175.54 38.17 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.031 -1.628 . . . . 0.0 109.031 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -109.87 143.49 39.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 1.2 m-85 -134.73 160.4 38.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.977 0.911 . . . . 0.0 110.807 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -124.83 125.74 44.48 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.566 0.346 . . . . 0.0 110.465 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -120.68 109.49 15.27 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 119.977 -1.702 . . . . 0.0 110.967 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.64 132.1 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 127.333 2.253 . . . . 0.0 111.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.91 129.45 55.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.304 2.242 . . . . 0.0 108.289 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -119.79 87.74 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.94 178.41 51.11 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 125.039 1.304 . . . . 0.0 111.64 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.18 -50.07 73.98 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.541 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 t -124.14 -17.68 6.12 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.087 0.955 . . . . 0.0 112.897 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 tp -108.0 128.08 54.34 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.665 1.186 . . . . 0.0 114.138 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -114.89 157.92 22.68 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.87 137.59 4.64 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.84 128.06 15.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.379 1.072 . . . . 0.0 108.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -134.52 168.12 19.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.513 0.673 . . . . 0.0 110.12 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.0 t -145.52 141.19 28.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -148.87 162.03 40.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.758 0.423 . . . . 0.0 110.596 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -120.99 133.17 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 127.511 2.325 . . . . 0.0 105.493 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 156.15 46.66 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.776 0.798 . . . . 0.0 110.44 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.88 -44.46 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.137 1.375 . . . . 0.0 111.888 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -142.08 160.31 40.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 109.493 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.16 72.08 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.504 0.722 . . . . 0.0 111.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.85 73.8 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.545 1.066 . . . . 0.0 111.023 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.5 m -68.64 -34.29 75.48 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.933 -1.105 . . . . 0.0 109.611 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.66 57.84 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.307 1.043 . . . . 0.0 110.766 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.67 -32.53 73.61 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.671 1.588 . . . . 0.0 111.05 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.8 -52.66 34.47 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 120.552 -1.342 . . . . 0.0 109.608 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.9 -31.93 55.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.028 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 120.41 1.459 . . . . 0.0 109.168 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -77.84 -50.02 13.11 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 118.855 0.752 . . . . 0.0 110.511 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.58 -51.49 69.27 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -66.78 -50.85 61.37 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 119.674 1.124 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.2 94.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.015 -0.428 . . . . 0.0 111.803 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.39 -39.83 92.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 118.618 0.645 . . . . 0.0 110.642 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.68 -27.01 68.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.873 0.869 . . . . 0.0 110.33 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -83.78 3.46 33.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.442 2.297 . . . . 0.0 111.072 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.14 39.91 88.28 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 125.496 1.522 . . . . 0.0 115.997 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.02 131.44 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -139.62 65.48 1.43 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.74 -177.84 25.89 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 121.606 0.559 . . . . 0.0 113.102 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.58 149.65 26.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.381 2.272 . . . . 0.0 109.615 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -110.97 150.61 29.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.374 1.07 . . . . 0.0 111.618 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -140.09 159.2 42.72 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.965 2.106 . . . . 0.0 106.409 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 56.7 t80 -133.79 145.73 50.05 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.67 101.25 5.82 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.432 2.293 . . . . 0.0 108.142 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.7 -11.03 22.49 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.17 -52.16 64.21 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 120.07 1.305 . . . . 0.0 111.386 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -127.22 13.18 7.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.197 0.999 . . . . 0.0 109.036 177.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.286 31.3 mttm 61.85 48.54 5.32 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 129.697 3.199 . . . . 0.0 107.629 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 m -75.51 136.73 40.61 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -121.77 120.05 33.49 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 m -118.25 138.98 51.98 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.3 t -129.53 136.33 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.95 112.76 15.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.146 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.19 40.74 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 119.821 1.191 . . . . 0.0 111.43 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -97.0 143.8 27.51 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 22.7 m-85 -130.08 128.26 41.53 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.308 1.043 . . . . 0.0 109.652 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -101.9 128.61 48.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.3 109.46 14.95 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.4 -1.438 . . . . 0.0 111.806 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.75 130.81 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.681 2.393 . . . . 0.0 111.615 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.63 140.72 50.16 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 127.261 2.225 . . . . 0.0 111.564 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -117.42 118.02 31.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.75 -160.92 33.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.95 -52.11 39.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.688 1.244 . . . . 0.0 107.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 t -124.3 -23.96 4.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.375 1.07 . . . . 0.0 113.058 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -99.5 130.11 45.73 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.739 1.216 . . . . 0.0 112.54 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.1 145.5 39.65 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.102 1.761 . . . . 0.0 110.149 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.97 154.76 25.73 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 123.749 0.69 . . . . 0.0 111.883 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.61 150.65 27.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 117.945 0.872 . . . . 0.0 112.084 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -147.95 170.94 16.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.054 0.454 . . . . 0.0 110.078 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -143.16 160.29 40.71 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.779 2.032 . . . . 0.0 107.056 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -166.68 166.39 15.98 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.35 1.06 . . . . 0.0 108.169 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -128.08 122.56 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 147.66 44.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.99 0.9 . . . . 0.0 111.423 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 m -71.22 -38.4 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -140.69 158.68 43.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.713 2.005 . . . . 0.0 109.214 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -19.03 59.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.0 63.12 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 121.389 1.904 . . . . 0.0 112.146 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -28.91 70.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.648 -0.657 . . . . 0.0 110.856 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.56 61.99 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.904 1.282 . . . . 0.0 109.401 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.81 -32.97 74.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 108.416 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -72.43 -51.22 21.26 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.313 1.445 . . . . 0.0 109.786 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -32.02 52.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 123.713 0.805 . . . . 0.0 111.437 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.75 -44.77 73.92 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.594 0.758 . . . . 0.0 109.108 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.19 -49.33 14.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.562 0.619 . . . . 0.0 112.128 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.93 -52.35 65.86 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.81 -44.29 66.87 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.262 1.392 . . . . 0.0 111.683 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.68 93.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.403 0.681 . . . . 0.0 110.247 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -70.56 -29.47 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.316 -1.49 . . . . 0.0 111.225 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.37 -18.97 63.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.14 -5.05 56.9 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 129.39 3.076 . . . . 0.0 108.215 177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.35 39.87 97.35 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 127.395 2.426 . . . . 0.0 115.016 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -92.3 138.92 18.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.14 65.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.84 -174.46 13.46 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.9 1.238 . . . . 0.0 113.262 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.04 149.98 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.861 2.464 . . . . 0.0 110.02 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -110.6 150.84 28.39 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.101 0.96 . . . . 0.0 113.107 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 p -137.03 155.06 50.16 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 127.507 2.323 . . . . 0.0 105.683 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 65.7 t80 -139.8 142.45 36.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.47 105.85 8.37 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.043 1.737 . . . . 0.0 107.241 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.86 -11.08 24.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.81 72.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.082 1.353 . . . . 0.0 110.41 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -126.78 9.45 6.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.239 1.416 . . . . 0.0 109.081 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 27.9 mttm 57.21 40.71 27.82 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 130.116 3.367 . . . . 0.0 108.207 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 m -82.38 115.64 21.51 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.814 1.246 . . . . 0.0 111.058 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -97.01 130.0 44.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 102.016 -3.327 . . . . 0.0 102.016 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -126.48 142.38 51.56 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.224 0.61 . . . . 0.0 109.802 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.55 139.11 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 126.352 1.861 . . . . 0.0 109.007 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -122.96 104.03 8.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.108 1.363 . . . . 0.0 108.335 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.381 1.472 . . . . 0.0 107.919 178.698 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.468 0.436 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.39 179.7 42.36 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -104.61 138.11 41.44 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.38 133.23 34.59 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.811 0.844 . . . . 0.0 109.145 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -101.77 134.04 45.56 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 111.089 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.09 112.93 18.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.31 131.71 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.46 2.304 . . . . 0.0 108.886 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.25 123.32 43.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.206 1.802 . . . . 0.0 108.434 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' OD1' ' HE2' ' A' ' 14' ' ' LYS . 68.9 m-80 -97.08 145.9 25.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.98 171.5 22.72 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -57.79 -50.45 73.23 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 122.392 -0.475 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -124.04 4.76 8.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.612 1.565 . . . . 0.0 112.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -126.24 143.54 51.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.173 1.351 . . . . 0.0 111.715 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE2' ' OD1' ' A' ' 9' ' ' ASN . 83.5 mttt -142.63 149.38 38.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.544 1.538 . . . . 0.0 108.927 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.98 147.49 14.66 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 107.959 -2.057 . . . . 0.0 107.959 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.24 116.08 6.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.617 1.208 . . . . 0.0 109.151 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -125.13 174.04 8.33 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.592 0.357 . . . . 0.0 111.07 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -147.12 158.52 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -159.72 163.96 34.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -129.38 137.69 51.09 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.199 -3.26 . . . . 0.0 102.199 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.34 152.81 47.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 119.606 1.094 . . . . 0.0 111.09 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -53.56 -46.01 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.585 1.554 . . . . 0.0 110.609 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.92 158.69 43.66 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.0 1.32 . . . . 0.0 108.221 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -19.48 65.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.748 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.79 83.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.593 1.542 . . . . 0.0 109.151 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -61.54 -39.56 91.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.776 0.83 . . . . 0.0 109.824 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.0 -42.25 99.8 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.99 1.268 . . . . 0.0 108.902 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.15 -52.75 53.25 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.507 0.323 . . . . 0.0 110.483 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -33.7 59.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.565 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -41.56 77.95 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.442 1.019 . . . . 0.0 110.123 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -75.53 -50.05 16.83 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.278 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -52.12 50.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.93 -47.04 86.45 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.281 0.946 . . . . 0.0 112.344 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -49.06 37.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.0 -33.72 76.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.698 1.136 . . . . 0.0 111.859 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.68 -16.7 63.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.332 1.053 . . . . 0.0 110.282 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -86.58 -5.4 59.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.986 2.114 . . . . 0.0 108.837 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.93 40.7 16.28 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-O 117.839 -1.534 . . . . 0.0 114.663 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.66 136.31 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -139.69 65.64 1.42 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.249 1.82 . . . . 0.0 107.82 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.97 -164.3 10.24 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.687 1.137 . . . . 0.0 114.158 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -98.07 146.06 25.92 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.601 1.16 . . . . 0.0 111.785 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -112.09 143.62 42.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.547 1.539 . . . . 0.0 114.706 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -125.73 166.38 16.89 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.647 1.979 . . . . 0.0 108.078 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 38.4 t80 -135.09 136.23 41.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.89 101.0 6.14 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.287 2.635 . . . . 0.0 106.439 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.37 -14.4 18.46 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.35 76.58 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.732 1.605 . . . . 0.0 112.548 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 13.39 7.1 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.889 1.275 . . . . 0.0 108.338 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 48.1 mttm 54.78 47.02 23.34 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.603 2.361 . . . . 0.0 105.669 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -76.77 115.31 16.43 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 131.628 3.971 . . . . 0.0 111.64 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.63 134.88 47.05 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -128.77 142.46 50.98 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.48 138.6 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 125.432 1.493 . . . . 0.0 109.991 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.4 m -113.54 103.56 11.39 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.831 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 119.512 -0.28 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.57 -179.59 46.67 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -95.12 143.28 26.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -131.47 140.69 49.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.696 -1.965 . . . . 0.0 105.696 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.34 133.46 47.23 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.112 0.869 . . . . 0.0 109.79 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -121.64 108.86 14.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.338 -1.476 . . . . 0.0 109.856 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 129.139 2.976 . . . . 0.0 112.056 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.92 140.27 49.95 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.686 1.995 . . . . 0.0 108.927 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -126.17 104.18 8.1 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.674 -2.713 . . . . 0.0 103.674 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.96 -175.92 34.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -62.37 -50.47 71.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -123.38 -21.5 5.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.726 1.61 . . . . 0.0 111.385 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.14 143.23 28.13 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.822 1.249 . . . . 0.0 111.165 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -143.12 145.18 32.61 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.27 152.8 19.94 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.03 145.52 25.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.618 0.767 . . . . 0.0 109.609 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 -179.89 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.47 150.81 35.29 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -141.97 121.51 13.3 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.43 111.58 22.52 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -179.67 4.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.532 1.133 . . . . 0.0 110.261 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.53 -44.92 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 123.715 0.806 . . . . 0.0 110.434 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.11 164.92 31.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.77 1.628 . . . . 0.0 108.136 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.03 69.79 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.482 0.713 . . . . 0.0 112.916 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.55 68.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.964 1.256 . . . . 0.0 111.227 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 m -70.36 -36.19 74.01 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 121.202 -0.936 . . . . 0.0 109.135 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.93 66.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.631 0.773 . . . . 0.0 109.978 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.49 -31.15 70.2 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.471 1.109 . . . . 0.0 110.986 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.62 -53.1 53.02 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.407 1.083 . . . . 0.0 109.659 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.37 -30.67 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 125.057 1.343 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -53.81 -44.14 69.94 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.971 0.908 . . . . 0.0 109.275 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -77.58 -50.04 13.37 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.69 -0.671 . . . . 0.0 112.122 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.97 -52.6 62.38 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -63.17 -50.23 71.18 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 120.603 1.547 . . . . 0.0 112.021 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.33 70.46 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.51 -35.83 74.93 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.198 0.908 . . . . 0.0 112.491 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.4 -26.79 63.86 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.786 1.634 . . . . 0.0 110.513 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.72 12.35 6.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.737 2.415 . . . . 0.0 110.612 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.67 38.05 93.22 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 125.227 1.394 . . . . 0.0 114.932 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.39 140.75 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 118.546 1.173 . . . . 0.0 114.136 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.47 93.11 2.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.284 -2.487 . . . . 0.0 104.284 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.26 -177.77 48.46 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 121.686 2.039 . . . . 0.0 115.366 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.05 150.15 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 129.256 3.022 . . . . 0.0 110.574 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -111.35 144.09 41.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.258 1.023 . . . . 0.0 113.217 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -131.41 161.19 33.03 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 127.084 2.154 . . . . 0.0 105.905 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -139.93 146.43 39.18 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.94 97.01 4.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 127.218 2.207 . . . . 0.0 108.082 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.98 -18.74 63.58 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.24 70.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.056 0.942 . . . . 0.0 112.259 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -127.45 -3.34 6.13 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.829 1.652 . . . . 0.0 110.42 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.285 81.5 mttt 66.27 34.63 6.41 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 131.077 3.751 . . . . 0.0 108.02 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -85.11 115.43 22.91 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 126.273 1.829 . . . . 0.0 113.278 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -94.76 126.35 40.01 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 102.494 -3.151 . . . . 0.0 102.494 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.6 m -123.23 141.53 51.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.764 0.711 . . . . 0.0 110.206 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -129.97 138.84 53.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 127.025 2.13 . . . . 0.0 109.013 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -127.51 128.33 45.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.243 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.43 -174.98 45.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 115.96 31.19 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 42.0 m-85 -111.69 133.63 53.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.236 1.814 . . . . 0.0 108.545 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -102.0 134.27 45.49 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.779 0.718 . . . . 0.0 110.846 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.83 107.98 13.39 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.446 0.698 . . . . 0.0 111.673 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tt -124.48 131.99 71.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.679 1.992 . . . . 0.0 111.651 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -118.71 138.85 52.36 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.545 1.138 . . . . 0.0 108.105 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -126.14 91.01 3.29 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.51 0.595 . . . . 0.0 111.18 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.75 176.65 25.14 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.838 1.208 . . . . 0.0 111.859 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -55.22 -50.31 69.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.073 0.949 . . . . 0.0 110.941 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -123.4 -27.45 4.09 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.406 1.082 . . . . 0.0 111.058 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.71 113.84 22.9 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.661 1.584 . . . . 0.0 111.646 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -142.04 157.99 44.28 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.58 151.84 10.84 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.47 127.28 17.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.291 1.436 . . . . 0.0 108.146 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -141.17 179.69 6.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.419 -0.801 . . . . 0.0 111.532 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -130.28 140.59 50.66 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 126.186 1.795 . . . . 0.0 106.287 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -129.85 124.99 34.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 126.321 1.849 . . . . 0.0 112.127 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -128.73 133.87 48.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.81 -177.65 5.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.488 1.515 . . . . 0.0 107.417 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.5 -46.09 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 O-C-N 121.691 -0.631 . . . . 0.0 110.101 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -140.64 159.23 42.65 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.142 1.377 . . . . 0.0 108.989 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.59 -20.13 63.64 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.802 0.728 . . . . 0.0 111.26 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.23 85.69 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.79 -1.194 . . . . 0.0 109.793 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -66.26 -33.24 75.3 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.59 -28.96 56.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.762 2.025 . . . . 0.0 112.671 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.57 -32.79 59.15 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.327 0.967 . . . . 0.0 112.104 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.81 -52.51 36.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -32.96 59.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.017 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.92 -44.37 78.25 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.394 1.078 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -77.11 -49.11 15.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.387 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.31 -51.49 68.65 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.95 -41.95 75.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 119.91 1.232 . . . . 0.0 111.833 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.69 -49.21 32.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 121.928 -0.483 . . . . 0.0 110.85 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.76 -35.85 77.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 120.867 -1.145 . . . . 0.0 111.263 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.65 -23.85 63.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.088 1.755 . . . . 0.0 108.922 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -5.44 58.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.89 1.676 . . . . 0.0 107.85 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.31 31.73 56.65 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 125.683 1.611 . . . . 0.0 114.356 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -84.08 138.47 19.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.48 65.63 1.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.52 -175.0 16.22 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 113.14 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.6 148.69 22.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.843 1.257 . . . . 0.0 109.666 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -111.1 143.69 41.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.37 1.068 . . . . 0.0 113.134 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 p -129.31 170.01 14.15 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 127.084 2.154 . . . . 0.0 108.099 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -140.53 143.16 35.25 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.11 96.11 4.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.607 1.963 . . . . 0.0 106.164 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.78 -22.98 66.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.88 -33.94 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.965 1.257 . . . . 0.0 112.613 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -3.16 6.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.92 1.688 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.263 74.5 mttt 62.54 37.42 13.2 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 130.982 3.713 . . . . 0.0 109.26 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -80.71 116.2 20.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.566 1.946 . . . . 0.0 111.427 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -102.56 111.25 23.47 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 m -109.51 143.12 39.59 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.576 1.15 . . . . 0.0 111.043 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -120.29 138.82 49.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 126.316 1.846 . . . . 0.0 106.637 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 m -126.51 106.71 9.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.484 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 123.662 0.785 . . . . 0.0 109.827 178.076 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' A' ' 23' ' ' ASP . 3.2 ttt . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.73 -173.65 46.45 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -96.31 137.2 35.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 7.2 m-85 -133.62 157.3 46.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.131 1.372 . . . . 0.0 109.237 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -122.02 136.93 54.96 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.245 0.475 . . . . 0.0 111.511 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.49 108.92 13.71 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.833 1.253 . . . . 0.0 109.359 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -122.46 132.67 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.717 2.807 . . . . 0.0 110.467 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.54 139.83 50.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 126.3 1.84 . . . . 0.0 110.53 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -126.55 83.62 2.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.707 1.203 . . . . 0.0 110.69 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.74 167.92 31.29 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -57.29 -49.95 74.47 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.666 -0.902 . . . . 0.0 112.411 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 6.0 t -123.58 10.72 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.084 0.554 . . . . 0.0 112.168 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -129.02 139.27 52.14 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.776 -1.202 . . . . 0.0 109.229 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -142.44 157.0 45.23 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.189 0.995 . . . . 0.0 109.769 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 148.58 10.0 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.69 116.81 6.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.516 1.158 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -130.87 177.02 7.74 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.092 -1.005 . . . . 0.0 111.212 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -138.77 151.41 47.06 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.094 1.357 . . . . 0.0 108.556 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 m -149.09 138.16 21.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.653 0.739 . . . . 0.0 109.474 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -118.42 124.14 46.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.63 165.02 28.54 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.743 0.782 . . . . 0.0 109.522 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 m -57.56 -40.05 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.009 1.324 . . . . 0.0 111.803 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 15.3 t70 -152.79 162.97 40.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.508 1.123 . . . . 0.0 110.669 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.44 80.33 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.58 78.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.679 0.792 . . . . 0.0 111.261 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -69.53 -35.14 75.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.898 0.879 . . . . 0.0 110.433 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.04 55.41 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.85 0.86 . . . . 0.0 112.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.8 -30.56 45.4 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.069 0.85 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.86 -49.35 70.88 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 121.046 -1.034 . . . . 0.0 109.448 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -33.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.851 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CZ ' ' CE3' ' A' ' 44' ' ' TRP . 1.2 t80 -56.32 -45.08 80.45 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.109 0.868 . . . . 0.0 109.267 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -77.25 -49.15 15.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.423 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -52.24 65.78 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.79 -49.51 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 119.333 0.969 . . . . 0.0 111.449 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -50.47 73.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 117.646 0.203 . . . . 0.0 111.389 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.61 -34.07 77.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.067 -1.021 . . . . 0.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.12 -23.09 63.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.768 0.827 . . . . 0.0 109.57 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.3 -4.91 58.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.503 1.921 . . . . 0.0 108.596 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.54 27.56 61.06 Favored Glycine 0 C--N 1.343 0.945 0 C-N-CA 126.519 2.009 . . . . 0.0 115.406 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.65 143.52 12.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -138.75 104.38 5.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.61 178.8 48.21 Favored Glycine 0 N--CA 1.468 0.832 0 CA-C-N 120.4 1.455 . . . . 0.0 112.649 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.03 149.41 21.84 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.49 1.916 . . . . 0.0 110.937 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' ' CZ ' ' A' ' 31' ' ' PHE . 26.4 m95 -111.01 142.79 42.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.76 1.224 . . . . 0.0 114.198 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -133.51 160.08 38.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.719 2.408 . . . . 0.0 107.734 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -139.55 145.45 38.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.087 1.312 . . . . 0.0 113.971 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.29 96.81 4.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.863 2.065 . . . . 0.0 105.989 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.88 -17.7 63.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.805 0.842 . . . . 0.0 112.351 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.45 -28.55 65.4 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.32 1.048 . . . . 0.0 112.092 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 t -127.73 -22.34 3.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.826 1.651 . . . . 0.0 110.382 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.341 89.2 mttt 83.14 29.07 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 1 C-N-CA 133.427 4.691 . . . . 0.0 108.288 -179.854 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.9 m -80.31 127.66 32.64 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.694 1.998 . . . . 0.0 109.651 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -107.77 111.23 23.29 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 103.122 -2.918 . . . . 0.0 103.122 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -103.96 142.37 34.55 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.96 138.48 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -126.34 104.61 8.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.878 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 tpp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.95 45.7 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -97.82 135.97 38.81 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -122.12 140.42 52.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.352 1.061 . . . . 0.0 109.155 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -101.43 137.48 39.71 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.126 0.876 . . . . 0.0 109.921 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.59 108.03 13.54 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.064 1.346 . . . . 0.0 111.529 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 tt -124.3 125.49 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 127.31 2.244 . . . . 0.0 108.438 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.84 140.8 49.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.073 1.349 . . . . 0.0 111.608 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -121.18 123.54 42.52 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 172.06 21.92 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 127.361 2.41 . . . . 0.0 107.883 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -57.7 -52.2 66.42 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.252 3.9 t -123.98 -2.09 8.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.854 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.2 mt -115.02 115.95 27.66 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.03 1.332 . . . . 0.0 107.77 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.96 149.4 40.04 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.57 167.45 35.8 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.49 153.54 40.54 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 122.787 0.435 . . . . 0.0 111.078 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -156.35 -174.85 5.13 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.221 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.55 148.01 38.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -141.78 166.52 24.5 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.519 1.528 . . . . 0.0 109.299 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -130.92 149.26 52.63 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 127.248 2.219 . . . . 0.0 107.548 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.98 144.57 26.86 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 119.655 1.116 . . . . 0.0 109.188 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.04 -32.57 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -140.05 158.02 44.73 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.69 63.9 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.266 -0.896 . . . . 0.0 108.923 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.09 64.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.425 1.49 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -76.81 -33.68 57.96 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.182 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.86 74.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 32.9 tt0 -56.13 -35.81 67.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.992 1.717 . . . . 0.0 112.16 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.58 -52.68 9.25 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.785 0.834 . . . . 0.0 110.343 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.279 0.7 OUTLIER -59.64 -31.77 47.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 117.487 -1.244 . . . . 0.0 110.471 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.3 m-30 -55.39 -44.2 75.89 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.688 1.586 . . . . 0.0 110.171 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.22 -49.61 63.88 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 118.511 0.596 . . . . 0.0 110.517 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.73 -50.39 74.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.734 0.814 . . . . 0.0 111.314 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.63 -54.35 24.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.734 1.213 . . . . 0.0 112.943 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.21 72.24 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.686 -0.634 . . . . 0.0 111.356 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -55.98 -28.97 59.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.673 -0.68 . . . . 0.0 112.519 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.22 -29.35 65.64 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.164 0.986 . . . . 0.0 111.385 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -84.29 5.39 26.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.932 1.293 . . . . 0.0 111.41 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.24 38.2 92.91 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 120.394 1.452 . . . . 0.0 111.26 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.04 141.36 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -139.22 126.27 21.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.731 2.812 . . . . 0.0 104.112 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.75 173.68 26.48 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 121.82 2.1 . . . . 0.0 111.512 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -89.65 149.42 22.81 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.82 1.648 . . . . 0.0 109.549 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -111.0 127.4 55.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.97 156.09 35.46 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.1 2.16 . . . . 0.0 106.028 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.4 146.9 40.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.928 1.24 . . . . 0.0 112.893 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.53 97.87 5.49 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.631 2.372 . . . . 0.0 106.62 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.01 -25.05 64.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.52 68.28 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.467 0.707 . . . . 0.0 112.721 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -126.81 0.49 6.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.788 1.635 . . . . 0.0 111.016 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 37.9 mttp 59.21 24.73 13.18 Favored 'General case' 0 N--CA 1.436 -1.137 1 C-N-CA 132.07 4.148 . . . . 0.0 110.672 -179.268 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -75.05 127.08 32.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.849 1.66 . . . . 0.0 109.971 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.49 110.73 21.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.533 -2.766 . . . . 0.0 103.533 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.0 p -100.07 142.2 31.87 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.662 1.185 . . . . 0.0 111.129 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 t -128.13 138.81 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.78 1.632 . . . . 0.0 107.436 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -127.27 104.32 7.88 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.562 0.745 . . . . 0.0 110.832 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.45 -150.67 5.65 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.455 1.025 . . . . 0.0 112.999 167.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -112.6 154.79 25.47 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.808 1.643 . . . . 0.0 110.006 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -142.92 133.12 24.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.222 1.009 . . . . 0.0 111.784 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -92.57 149.72 21.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 150.46 45.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.911 1.284 . . . . 0.0 109.701 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -155.84 121.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.272 1.429 . . . . 0.0 109.449 165.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.0 mm? -86.65 143.47 27.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.831 1.252 . . . . 0.0 109.608 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -125.64 96.12 4.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.247 1.419 . . . . 0.0 110.186 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.24 178.88 18.85 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.099 0.857 . . . . 0.0 112.969 169.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -45.4 -53.64 8.4 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -139.28 28.31 2.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.819 1.648 . . . . 0.0 110.019 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -135.43 105.11 6.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.967 1.307 . . . . 0.0 109.758 -171.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.33 -174.05 3.12 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.69 139.46 3.88 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.11 0.862 . . . . 0.0 113.014 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.08 166.17 12.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.928 1.691 . . . . 0.0 108.696 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -169.39 162.13 10.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.889 1.676 . . . . 0.0 110.03 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -120.33 140.17 51.67 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.778 1.631 . . . . 0.0 109.953 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.51 155.31 43.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.673 1.589 . . . . 0.0 109.876 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -130.66 152.6 49.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.927 1.691 . . . . 0.0 108.71 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.9 26.67 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 110.575 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -89.19 -38.17 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.782 1.633 . . . . 0.0 109.07 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -133.82 155.8 49.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.62 1.968 . . . . 0.0 109.558 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.77 43.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.334 1.454 . . . . 0.0 110.576 -168.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.93 90.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.168 1.387 . . . . 0.0 110.665 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -48.36 -61.25 2.1 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.705 1.602 . . . . 0.0 109.932 167.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -47.07 81.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.111 1.364 . . . . 0.0 110.659 -173.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 8.7 tt0 -51.23 -43.16 61.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.933 1.693 . . . . 0.0 108.734 178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -76.75 -29.28 56.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -42.21 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.921 1.688 . . . . 0.0 108.991 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.1 m-30 -51.44 -37.52 49.1 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.628 1.171 . . . . 0.0 110.976 -174.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -85.02 -20.12 30.96 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.08 -61.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.306 1.042 . . . . 0.0 108.876 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CE1' HD21 ' A' ' 8' ' ' LEU . 18.2 t80 -46.14 -50.99 14.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.203 1.001 . . . . 0.0 111.815 -174.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -76.93 -42.48 39.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.145 1.378 . . . . 0.0 110.629 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -46.41 -35.87 5.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.356 1.462 . . . . 0.0 110.209 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.55 -22.32 64.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.626 1.97 . . . . 0.0 109.584 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.84 -13.89 19.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.313 1.445 . . . . 0.0 110.269 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.78 75.27 1.22 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.096 0.855 . . . . 0.0 113.033 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.7 m -122.45 143.13 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.931 1.692 . . . . 0.0 109.13 -172.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -147.93 61.38 1.12 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.607 1.963 . . . . 0.0 109.547 167.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.01 -140.59 5.98 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.085 0.85 . . . . 0.0 112.921 -163.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.75 139.72 19.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.94 1.696 . . . . 0.0 108.719 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.53 121.27 44.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.358 1.063 . . . . 0.0 111.74 -160.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.2 m -126.8 119.25 26.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.763 1.625 . . . . 0.0 109.996 -170.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -98.77 122.36 41.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.136 0.974 . . . . 0.0 111.796 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -98.86 116.04 30.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.655 1.982 . . . . 0.0 109.545 161.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.47 -12.3 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.686 1.995 . . . . 0.0 109.495 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.4 -66.09 0.59 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.163 1.385 . . . . 0.0 110.698 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.445 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -101.25 19.13 18.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.732 1.613 . . . . 0.0 109.929 169.228 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.7 mttt 47.51 42.4 14.54 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.8 m -86.75 131.68 34.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.78 1.632 . . . . 0.0 110.03 -170.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -99.76 100.88 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.701 1.201 . . . . 0.0 110.834 165.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 m -91.19 119.32 31.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.793 1.637 . . . . 0.0 109.93 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -112.28 125.15 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.847 1.659 . . . . 0.0 109.014 -175.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -113.51 135.92 53.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.695 1.598 . . . . 0.0 109.932 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.736 2.814 . . . . 0.0 108.694 161.532 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.0 165.21 33.61 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -77.91 143.58 37.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -130.5 138.54 50.3 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.59 138.77 36.21 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.99 110.59 16.0 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 120.774 -1.204 . . . . 0.0 110.911 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 tt -122.67 126.19 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.856 2.462 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.27 139.36 51.44 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.34 1.056 . . . . 0.0 109.75 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -124.03 67.72 1.05 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.803 0.841 . . . . 0.0 109.264 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.06 43.79 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.62 -49.33 75.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.037 -1.272 . . . . 0.0 111.791 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 0.5 OUTLIER -121.8 -9.08 8.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.13 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 137.0 52.45 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -142.44 166.11 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.882 0.873 . . . . 0.0 110.421 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.38 170.28 42.75 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -152.04 138.82 18.87 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.996 0.918 . . . . 0.0 108.964 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -142.94 173.24 11.73 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.11 142.87 49.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -144.92 163.26 34.67 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.54 143.34 50.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.462 2.305 . . . . 0.0 108.132 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.32 145.17 18.99 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.102 1.319 . . . . 0.0 110.2 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.0 -43.88 93.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.225 1.01 . . . . 0.0 111.126 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -139.96 158.3 44.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.24 64.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.807 -0.616 . . . . 0.0 109.505 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.47 65.75 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 110.598 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -67.81 -36.95 81.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.495 0.718 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.58 89.46 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.353 0.661 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.24 -40.87 68.14 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 111.003 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.67 -42.29 51.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.26 0.624 . . . . 0.0 111.425 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -32.99 60.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 CA-C-O 118.166 -0.921 . . . . 0.0 109.624 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -56.18 -44.83 79.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 119.988 1.267 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -66.59 -49.24 66.99 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.175 0.443 . . . . 0.0 110.164 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.57 -51.09 71.37 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.817 0.847 . . . . 0.0 111.881 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.23 -54.24 49.19 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.995 1.318 . . . . 0.0 111.514 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.65 95.66 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.202 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.18 -33.2 70.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.81 -26.47 68.64 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.751 0.705 . . . . 0.0 110.099 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.45 3.4 32.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.325 1.85 . . . . 0.0 110.101 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.57 36.61 88.48 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 126.989 2.233 . . . . 0.0 114.074 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.28 142.96 13.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.74 95.28 2.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.58 -176.5 40.64 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.518 1.963 . . . . 0.0 113.909 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -99.87 149.81 23.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.098 1.759 . . . . 0.0 110.4 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -105.37 133.25 50.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -128.97 157.11 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.843 2.457 . . . . 0.0 106.199 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 49.0 t80 -139.48 141.74 37.36 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.233 0.924 . . . . 0.0 111.497 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.85 95.41 4.91 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 102.971 -2.974 . . . . 0.0 102.971 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.9 -29.68 67.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.551 1.14 . . . . 0.0 113.619 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.16 65.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.264 1.026 . . . . 0.0 113.288 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -125.84 -1.49 7.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.306 1.843 . . . . 0.0 111.265 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.286 90.5 mttt 61.62 22.2 12.74 Favored 'General case' 0 N--CA 1.435 -1.191 1 C-N-CA 132.838 4.455 . . . . 0.0 110.112 -179.699 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -74.64 122.76 23.7 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.325 2.25 . . . . 0.0 111.706 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.15 110.96 23.23 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.176 -3.638 . . . . 0.0 101.176 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -105.83 134.24 49.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.965 1.306 . . . . 0.0 111.217 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.64 134.41 63.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 126.007 1.723 . . . . 0.0 107.449 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -127.76 118.4 23.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.395 1.478 . . . . 0.0 107.352 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-N 118.49 0.586 . . . . 0.0 110.325 179.172 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.44 -173.07 43.49 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -87.98 143.66 26.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.052 1.341 . . . . 0.0 107.618 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -130.8 127.99 39.78 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -101.81 133.81 45.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.583 1.083 . . . . 0.0 110.646 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.92 109.54 15.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.312 1.845 . . . . 0.0 112.514 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 tt -122.63 127.57 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.278 2.231 . . . . 0.0 109.464 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.03 139.3 51.39 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.631 1.172 . . . . 0.0 108.032 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -125.76 64.76 1.19 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.38 162.76 49.51 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -64.69 -32.79 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.287 -0.537 . . . . 0.0 111.594 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -121.29 -16.38 7.92 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.63 138.33 52.13 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 124.408 1.083 . . . . 0.0 109.77 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -142.17 144.9 33.65 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.35 171.21 44.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -148.14 131.17 16.28 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.998 1.319 . . . . 0.0 109.35 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 t -136.41 174.6 10.44 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.53 0.732 . . . . 0.0 110.581 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -145.17 145.99 31.58 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.982 1.313 . . . . 0.0 107.604 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -152.7 166.43 32.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.314 1.446 . . . . 0.0 109.988 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -111.87 148.76 32.95 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.153 2.181 . . . . 0.0 108.837 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.58 144.53 35.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.127 0.971 . . . . 0.0 108.496 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.9 -43.23 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.461 0.704 . . . . 0.0 110.64 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -152.44 159.23 43.4 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 128.423 2.689 . . . . 0.0 105.854 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -21.39 33.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.294 1.038 . . . . 0.0 113.767 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.91 70.53 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.979 1.263 . . . . 0.0 111.945 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -78.25 -37.75 44.47 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.574 -0.704 . . . . 0.0 109.656 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.99 75.71 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.931 0.892 . . . . 0.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.89 -36.03 64.73 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.437 -0.789 . . . . 0.0 111.948 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.62 -49.53 18.2 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.582 0.753 . . . . 0.0 109.643 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.81 -33.21 44.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.085 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -56.53 -44.48 80.86 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.974 1.261 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -71.71 -48.85 44.4 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.269 0.94 . . . . 0.0 110.184 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -57.92 -50.8 72.12 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.611 0.764 . . . . 0.0 112.38 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -65.79 -53.99 32.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.743 1.217 . . . . 0.0 110.873 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.68 75.7 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.957 0.344 . . . . 0.0 110.894 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -56.89 -32.91 66.37 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.277 0.49 . . . . 0.0 111.889 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.89 -24.6 67.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.444 0.565 . . . . 0.0 111.503 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.88 1.44 43.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.381 2.273 . . . . 0.0 110.131 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.55 95.5 Favored Glycine 0 C--N 1.347 1.143 0 O-C-N 120.659 -1.276 . . . . 0.0 112.701 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.74 141.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 119.322 3.082 . . . . 0.0 119.322 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -139.73 87.81 2.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.33 2.652 . . . . 0.0 106.956 175.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.9 -172.53 33.38 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 120.704 1.593 . . . . 0.0 115.884 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.07 149.67 21.73 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.613 2.765 . . . . 0.0 110.801 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -111.46 134.22 53.19 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 m -125.09 156.68 37.89 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.21 2.604 . . . . 0.0 105.736 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.32 143.64 37.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.789 1.177 . . . . 0.0 112.444 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 96.2 4.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.802 2.441 . . . . 0.0 105.577 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.07 -27.86 67.33 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.77 66.55 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.613 0.765 . . . . 0.0 112.424 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.19 7.43 5.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.014 1.726 . . . . 0.0 110.674 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.265 46.5 mttt 52.27 31.85 9.95 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 130.095 3.358 . . . . 0.0 109.932 -177.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -76.19 116.35 16.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 128.376 2.671 . . . . 0.0 111.295 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.09 110.85 23.4 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 m -105.02 142.33 35.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.662 0.785 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.02 137.59 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 126.42 1.888 . . . . 0.0 106.011 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 p -128.0 107.58 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.145 1.378 . . . . 0.0 110.668 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.372 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 118.087 -0.958 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.78 -171.77 24.14 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 119.907 1.23 . . . . 0.0 111.845 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.39 141.7 30.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 104.332 -2.469 . . . . 0.0 104.332 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -129.48 128.24 42.48 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -101.08 131.47 46.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.388 0.995 . . . . 0.0 110.06 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.87 115.59 23.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.41 -1.431 . . . . 0.0 113.142 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -122.65 132.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.689 2.396 . . . . 0.0 110.075 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.58 136.28 53.95 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.547 1.139 . . . . 0.0 109.811 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -115.19 70.18 0.74 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.98 159.3 45.41 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -63.93 -40.42 96.43 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.742 1.217 . . . . 0.0 110.629 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -121.33 -17.15 7.72 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -128.81 139.27 52.25 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.36 0.982 . . . . 0.0 109.58 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -142.54 161.43 38.08 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.335 0.654 . . . . 0.0 110.928 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.01 32.68 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.96 136.55 30.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -143.51 173.36 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 118.729 0.695 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -145.39 141.23 28.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -149.76 167.54 26.2 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 108.741 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -124.95 149.15 47.96 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.257 1.823 . . . . 0.0 108.3 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.77 39.52 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.705 1.139 . . . . 0.0 111.293 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.62 -45.95 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.274 1.029 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -147.71 158.79 44.18 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 127.308 2.243 . . . . 0.0 106.124 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -19.73 56.95 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.371 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.73 66.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.187 1.812 . . . . 0.0 110.905 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 m -65.48 -36.72 84.73 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.117 0.967 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.87 68.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.014 0.526 . . . . 0.0 109.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.11 -34.56 60.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.386 1.074 . . . . 0.0 111.048 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.67 -51.24 14.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.638 1.175 . . . . 0.0 108.754 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.61 49.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.154 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -56.34 -45.68 80.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.105 1.321 . . . . 0.0 111.928 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -75.21 -44.77 44.51 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 118.519 0.6 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -57.78 -50.45 73.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.389 0.676 . . . . 0.0 110.888 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -67.06 -54.79 18.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.754 0.821 . . . . 0.0 111.879 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.89 71.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 119.303 -0.38 . . . . 0.0 111.508 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.97 -29.25 59.95 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.263 0.625 . . . . 0.0 111.63 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.64 -24.71 67.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.091 0.86 . . . . 0.0 111.385 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -83.69 3.95 30.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.362 1.465 . . . . 0.0 108.803 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.13 38.66 96.5 Favored Glycine 0 C--N 1.343 0.955 0 O-C-N 120.603 -1.311 . . . . 0.0 111.293 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.56 142.96 13.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -139.3 106.44 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.166 3.387 . . . . 0.0 104.56 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.89 176.93 41.15 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.911 2.141 . . . . 0.0 114.075 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -85.54 149.28 25.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 128.551 2.74 . . . . 0.0 110.917 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -111.62 146.58 37.18 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.896 1.279 . . . . 0.0 113.65 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.1 m -136.63 156.49 48.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.846 2.459 . . . . 0.0 106.429 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 62.0 t80 -139.23 141.78 37.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.498 1.045 . . . . 0.0 112.641 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.88 97.08 4.69 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 129.471 3.108 . . . . 0.0 108.018 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.2 -24.45 59.13 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.47 69.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.742 1.155 . . . . 0.0 112.87 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.56 9.48 6.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.332 1.853 . . . . 0.0 110.245 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 68.9 mttt 52.35 33.95 13.96 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 130.776 3.63 . . . . 0.0 109.296 -178.429 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -75.02 115.34 14.54 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 129.187 2.995 . . . . 0.0 111.613 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.11 131.12 53.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 102.109 -3.293 . . . . 0.0 102.109 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.0 m -128.29 142.68 51.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.996 0.918 . . . . 0.0 110.459 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.37 138.59 53.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 126.987 2.115 . . . . 0.0 108.329 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.1 p -126.98 109.39 11.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.944 1.698 . . . . 0.0 109.707 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.981 0.913 . . . . 0.0 109.57 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.47 -167.77 28.63 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -107.02 143.87 34.49 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.621 0.768 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -133.6 137.65 45.57 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.909 1.683 . . . . 0.0 106.937 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -101.07 135.87 41.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.794 0.724 . . . . 0.0 110.408 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 31' ' ' PHE . 22.3 mt -121.23 109.04 14.48 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.194 1.398 . . . . 0.0 112.113 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tt -123.46 131.85 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 127.773 2.429 . . . . 0.0 110.38 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.05 140.82 49.41 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.943 2.097 . . . . 0.0 111.825 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -126.48 107.64 10.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.615 1.566 . . . . 0.0 109.906 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.7 -175.28 19.95 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.103 1.335 . . . . 0.0 111.812 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.66 -50.21 39.16 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.654 -0.91 . . . . 0.0 110.647 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.258 10.6 t -123.73 3.25 8.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.78 1.232 . . . . 0.0 113.032 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -128.3 145.0 51.19 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.504 1.047 . . . . 0.0 110.857 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -142.5 165.74 26.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.875 1.67 . . . . 0.0 109.073 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.3 156.96 25.4 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.73 127.68 4.83 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.268 1.027 . . . . 0.0 108.405 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -147.75 -178.44 6.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.911 0.863 . . . . 0.0 108.78 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 162.01 33.17 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 p -144.78 153.2 41.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 108.9 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.33 120.45 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 101.727 -3.434 . . . . 0.0 101.727 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.62 156.01 47.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.074 0.852 . . . . 0.0 111.464 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.02 -45.61 95.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 124.499 1.12 . . . . 0.0 110.55 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -149.42 159.94 43.86 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.36 1.464 . . . . 0.0 109.354 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.17 66.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.714 -0.66 . . . . 0.0 112.564 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -32.88 74.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.49 1.496 . . . . 0.0 110.059 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -73.2 -38.13 66.21 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.338 1.055 . . . . 0.0 109.544 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.39 78.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.104 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -53.81 -34.79 60.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.613 1.165 . . . . 0.0 111.139 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -76.85 -52.7 9.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.06 1.344 . . . . 0.0 109.851 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -33.06 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.618 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 6' ' ' LEU . 15.9 m-30 -55.61 -40.98 72.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.218 1.372 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -71.25 -34.76 71.04 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.033 0.933 . . . . 0.0 112.062 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -51.0 10.55 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 118.646 0.657 . . . . 0.0 110.022 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -54.18 -55.22 30.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.779 1.632 . . . . 0.0 113.118 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -68.5 -34.32 75.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -57.47 -30.85 65.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.276 0.489 . . . . 0.0 111.453 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.99 -25.88 67.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.857 0.753 . . . . 0.0 111.084 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.55 0.26 50.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.924 2.09 . . . . 0.0 109.807 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.32 93.6 Favored Glycine 0 C--N 1.343 0.964 0 C-N-CA 125.937 1.732 . . . . 0.0 113.015 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 ' HB1' ' A' ' 35' ' ' ALA . 16.1 m -85.31 141.36 14.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 118.941 1.37 . . . . 0.0 113.909 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -139.57 65.61 1.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.77 -174.3 17.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.07 148.99 26.52 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 130.498 3.519 . . . . 0.0 111.313 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -113.43 145.97 40.3 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.71 154.57 45.39 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.456 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 67.4 t80 -135.89 137.48 41.46 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.436 0.695 . . . . 0.0 111.61 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.79 108.39 10.69 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.047 1.739 . . . . 0.0 107.667 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.55 -10.77 8.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.815 2.046 . . . . 0.0 115.939 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.59 72.06 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 120.068 1.304 . . . . 0.0 112.085 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 -6.41 5.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.274 1.83 . . . . 0.0 109.593 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 73.3 mttt 73.24 38.81 0.65 Allowed 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 129.879 3.272 . . . . 0.0 105.418 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -87.6 129.06 35.24 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 125.361 1.464 . . . . 0.0 112.434 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.43 ' HB2' HD23 ' A' ' 6' ' ' LEU . 78.2 m-85 -103.94 136.16 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -134.54 142.34 46.96 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.148 0.28 . . . . 0.0 110.696 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.86 136.52 60.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 126.214 1.806 . . . . 0.0 106.654 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -128.37 105.21 8.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.609 1.164 . . . . 0.0 108.419 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.64 46.74 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -95.78 143.66 26.82 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -135.52 128.27 31.03 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -102.23 130.67 48.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.464 1.029 . . . . 0.0 109.836 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.53 112.54 18.15 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.83 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.96 131.5 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 128.237 2.615 . . . . 0.0 107.774 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.95 139.45 51.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.32 1.448 . . . . 0.0 109.094 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -125.02 86.9 2.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.056 0.942 . . . . 0.0 109.175 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.05 176.51 49.46 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.134 -1.587 . . . . 0.0 109.134 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -62.66 -50.93 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.05 -1.265 . . . . 0.0 110.978 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.275 4.2 t -123.25 4.12 9.18 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.175 0.99 . . . . 0.0 113.401 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.29 147.67 50.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.855 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -142.31 148.16 37.53 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.62 149.8 16.05 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.92 163.21 38.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 117.777 0.789 . . . . 0.0 111.322 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -156.92 170.64 22.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.788 0.804 . . . . 0.0 108.971 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -142.5 140.02 31.71 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -147.35 166.12 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -128.08 114.18 16.72 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 103.52 -2.771 . . . . 0.0 103.52 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.55 148.32 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.24 1.016 . . . . 0.0 111.748 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.76 -45.96 94.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.84 1.256 . . . . 0.0 110.731 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -141.56 158.98 43.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.709 1.604 . . . . 0.0 107.223 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.66 65.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.43 67.26 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.684 1.583 . . . . 0.0 108.801 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -65.04 -41.53 95.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.96 94.84 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -54.21 -41.27 68.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.383 1.073 . . . . 0.0 109.875 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.67 -52.82 40.48 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.397 -0.815 . . . . 0.0 111.259 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.63 -33.0 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.124 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -56.19 -40.66 74.31 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 110.109 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -49.59 14.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 120.187 1.358 . . . . 0.0 111.701 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -52.38 64.07 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.34 -52.16 62.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.231 1.378 . . . . 0.0 112.515 -177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.39 93.9 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.375 0.67 . . . . 0.0 110.361 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.32 -36.96 85.65 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.804 0.729 . . . . 0.0 110.588 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.82 -24.65 65.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.801 0.84 . . . . 0.0 109.721 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -83.55 -3.08 57.34 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.367 2.267 . . . . 0.0 109.694 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.86 38.9 56.05 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.024 1.774 . . . . 0.0 116.135 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 m -81.16 140.52 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.654 1.727 . . . . 0.0 112.279 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 66.01 1.43 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.77 -163.82 11.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.14 -0.975 . . . . 0.0 114.593 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.42 149.54 30.12 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.728 2.011 . . . . 0.0 110.425 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -101.15 136.14 41.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.103 1.761 . . . . 0.0 114.899 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.6 p -120.78 162.1 20.33 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.613 2.365 . . . . 0.0 107.922 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -139.78 140.67 36.74 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -129.28 96.75 4.38 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 107.209 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.95 -22.64 64.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.6 -26.67 61.86 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.864 0.866 . . . . 0.0 113.13 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -17.54 4.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.224 1.81 . . . . 0.0 110.296 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mttm 74.27 33.57 0.89 Allowed 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 131.381 3.872 . . . . 0.0 104.907 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 m -76.65 135.79 39.14 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.394 1.477 . . . . 0.0 108.939 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.95 110.9 16.84 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 101.824 -3.398 . . . . 0.0 101.824 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 m -111.39 141.76 44.52 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -129.94 136.49 58.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 125.777 1.631 . . . . 0.0 106.848 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -128.11 116.28 19.73 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.85 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.48 -164.22 20.46 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 119.373 0.988 . . . . 0.0 112.921 171.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -97.48 139.19 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.674 1.59 . . . . 0.0 109.97 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.95 137.84 54.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.197 0.999 . . . . 0.0 111.763 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -102.59 154.59 18.98 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 144.75 30.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.792 1.237 . . . . 0.0 109.666 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -152.9 133.09 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.281 1.432 . . . . 0.0 109.522 163.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.629 HD21 ' CE1' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -97.08 143.01 28.32 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.936 1.294 . . . . 0.0 109.733 170.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.59 114.39 18.02 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.252 1.421 . . . . 0.0 110.247 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.49 -178.18 16.47 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.142 0.877 . . . . 0.0 112.981 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.94 -54.63 32.09 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -135.44 34.22 3.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.742 1.617 . . . . 0.0 109.955 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -138.05 145.88 42.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.847 1.259 . . . . 0.0 109.691 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -166.37 160.47 15.72 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.97 145.88 4.22 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.043 0.83 . . . . 0.0 112.913 173.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.66 162.35 27.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.834 1.654 . . . . 0.0 108.325 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 t -166.09 171.56 12.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 127.185 2.194 . . . . 0.0 110.348 -173.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -137.75 154.45 49.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.932 1.693 . . . . 0.0 109.969 171.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -134.71 168.51 18.88 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.703 1.601 . . . . 0.0 109.987 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -134.19 129.56 35.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.883 1.673 . . . . 0.0 108.685 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.11 147.01 49.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.166 1.386 . . . . 0.0 110.709 -170.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -80.46 -32.61 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.948 1.699 . . . . 0.0 108.98 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -138.39 155.15 48.78 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.632 1.973 . . . . 0.0 109.549 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -14.91 63.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.108 1.363 . . . . 0.0 110.529 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.59 84.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.162 1.385 . . . . 0.0 110.625 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 m -65.7 -54.76 23.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.679 1.591 . . . . 0.0 109.987 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.72 7.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.161 1.384 . . . . 0.0 110.64 166.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 36.0 tt0 -62.11 -31.53 72.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.904 1.681 . . . . 0.0 108.636 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.33 -42.38 75.4 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.18 -46.67 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.781 1.632 . . . . 0.0 109.006 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -48.03 -46.98 33.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 110.804 -170.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.29 -42.57 68.53 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.2 -54.78 7.03 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.317 1.047 . . . . 0.0 108.869 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' HD21 ' A' ' 8' ' ' LEU . 20.9 t80 -57.87 -45.13 86.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.21 1.004 . . . . 0.0 111.838 -168.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.61 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.173 1.389 . . . . 0.0 110.531 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.11 -24.93 60.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.288 1.435 . . . . 0.0 110.233 173.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.56 -28.22 56.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.667 1.987 . . . . 0.0 109.516 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.05 -7.25 49.3 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.315 1.446 . . . . 0.0 110.301 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.07 74.93 1.03 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.057 0.836 . . . . 0.0 113.034 167.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m -122.06 147.38 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.83 1.652 . . . . 0.0 109.012 -170.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -149.43 57.48 1.0 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.553 1.941 . . . . 0.0 109.489 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.02 -132.86 3.56 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.209 0.909 . . . . 0.0 112.973 -170.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.61 144.01 17.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.017 1.727 . . . . 0.0 108.717 -168.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -112.17 124.67 52.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.391 1.076 . . . . 0.0 111.599 -161.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -130.42 159.98 35.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.717 1.607 . . . . 0.0 109.866 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.21 140.1 39.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.21 1.004 . . . . 0.0 111.783 -161.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -128.29 113.72 16.0 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.719 2.007 . . . . 0.0 109.542 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -80.29 14.92 1.74 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.594 1.958 . . . . 0.0 109.613 -163.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.62 -51.6 6.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.165 1.386 . . . . 0.0 110.597 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.0 t -116.72 14.94 15.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.677 1.591 . . . . 0.0 109.853 166.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 52.51 48.57 22.29 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -78.51 136.16 37.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.699 1.6 . . . . 0.0 109.963 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -101.97 108.81 20.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.673 1.189 . . . . 0.0 110.895 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -86.97 128.91 35.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.736 1.614 . . . . 0.0 109.909 176.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.83 120.15 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.915 1.686 . . . . 0.0 109.111 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.4 m -116.3 119.91 37.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.779 1.632 . . . . 0.0 109.929 168.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.257 1.471 0 C-N-CA 128.643 2.777 . . . . 0.0 108.698 171.11 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.65 -128.24 0.94 Allowed Glycine 0 CA--C 1.526 0.771 0 CA-C-N 119.408 1.004 . . . . 0.0 113.057 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.6 135.65 51.51 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.865 1.666 . . . . 0.0 110.018 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -110.71 123.91 50.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.278 1.031 . . . . 0.0 111.76 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -88.79 149.19 23.54 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 169.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.39 37.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.899 1.28 . . . . 0.0 109.712 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -151.83 137.27 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.322 1.449 . . . . 0.0 109.52 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 34' ' ' TYR . 1.3 mm? -104.67 150.5 24.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.862 1.265 . . . . 0.0 109.708 171.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -131.95 98.52 4.47 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.285 1.434 . . . . 0.0 110.23 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.98 178.63 18.83 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.041 0.829 . . . . 0.0 113.022 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -60.14 -55.84 28.89 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.94 23.07 10.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.676 1.591 . . . . 0.0 109.882 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.9 134.61 31.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.902 1.281 . . . . 0.0 109.634 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -155.46 -178.02 6.97 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.91 153.44 6.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.132 0.872 . . . . 0.0 113.017 174.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -134.86 151.9 51.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.979 1.712 . . . . 0.0 108.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -163.88 176.27 9.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.853 1.661 . . . . 0.0 110.015 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -146.91 151.64 37.38 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.792 1.637 . . . . 0.0 109.926 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -145.58 156.12 43.48 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.763 1.625 . . . . 0.0 110.013 -165.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -123.25 144.27 49.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.027 1.731 . . . . 0.0 108.752 171.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 26' ' ' THR . . . -150.94 141.43 22.51 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.105 1.362 . . . . 0.0 110.576 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.17 -39.78 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.88 1.672 . . . . 0.0 108.998 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -129.24 160.37 33.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.656 1.982 . . . . 0.0 109.592 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.26 -31.4 72.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.074 1.349 . . . . 0.0 110.634 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.7 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.128 1.371 . . . . 0.0 110.71 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.468 ' HB ' ' HB1' ' A' ' 21' ' ' ALA . 28.2 m -48.82 -58.69 4.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.725 1.61 . . . . 0.0 109.908 171.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' ' CZ ' ' A' ' 31' ' ' PHE . . . -54.59 -59.54 4.56 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.172 1.389 . . . . 0.0 110.639 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 52.2 tt0 -51.79 -40.3 60.15 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.908 1.683 . . . . 0.0 108.69 -171.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -67.37 -31.39 71.59 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.57 -42.24 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.95 1.7 . . . . 0.0 109.023 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CZ ' ' HB1' ' A' ' 27' ' ' ALA . 17.9 m-30 -56.45 -43.22 79.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.741 1.216 . . . . 0.0 110.861 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -79.28 -20.43 48.05 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.82 -56.16 3.99 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.348 1.059 . . . . 0.0 108.841 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CE1' HD21 ' A' ' 8' ' ' LEU . 17.2 t80 -59.66 -39.55 84.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.188 0.995 . . . . 0.0 111.857 -164.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.59 20.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.182 1.393 . . . . 0.0 110.651 -172.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -61.33 -26.93 68.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.276 1.43 . . . . 0.0 110.327 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.15 -31.4 64.23 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.668 1.987 . . . . 0.0 109.574 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.62 -33.36 62.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.386 1.474 . . . . 0.0 110.27 169.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.84 91.4 1.05 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.127 0.87 . . . . 0.0 113.138 -170.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.43 149.51 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.851 1.661 . . . . 0.0 108.961 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.05 52.69 1.02 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.621 1.968 . . . . 0.0 109.589 172.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.05 -136.66 5.26 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.166 0.889 . . . . 0.0 113.054 -170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 142.12 21.85 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.938 1.695 . . . . 0.0 108.703 -172.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -108.97 131.79 54.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.385 1.074 . . . . 0.0 111.683 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 p -123.62 142.97 50.53 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.74 1.616 . . . . 0.0 109.904 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -114.53 133.48 55.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.244 1.017 . . . . 0.0 111.784 -170.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.21 110.38 15.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.7 2.0 . . . . 0.0 109.561 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.21 -16.34 61.42 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.649 1.979 . . . . 0.0 109.596 -170.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.58 -54.4 11.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.061 1.344 . . . . 0.0 110.693 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -128.36 29.53 5.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.756 1.622 . . . . 0.0 110.026 174.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mttm 39.09 49.38 1.64 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -93.46 122.44 35.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.789 1.636 . . . . 0.0 109.975 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -90.47 120.44 31.57 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.766 1.226 . . . . 0.0 110.851 168.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.06 129.03 54.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.766 1.626 . . . . 0.0 109.945 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.68 140.2 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.927 1.691 . . . . 0.0 108.973 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.6 m -141.82 126.74 18.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.714 1.605 . . . . 0.0 109.93 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.258 1.5 0 C-N-CA 128.79 2.836 . . . . 0.0 108.678 -178.401 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.82 -174.65 45.82 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -102.14 139.67 37.44 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 60.3 m-85 -131.64 131.0 42.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.788 1.235 . . . . 0.0 109.979 -177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -100.93 128.06 47.13 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.401 1.455 . . . . 0.0 110.975 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.92 115.11 21.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.481 1.912 . . . . 0.0 113.7 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.07 131.33 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 128.079 2.552 . . . . 0.0 111.007 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.36 140.4 48.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.833 2.053 . . . . 0.0 109.112 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.79 73.84 1.49 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 113.403 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.34 169.21 51.85 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.81 -46.31 74.49 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.345 -1.091 . . . . 0.0 110.273 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -122.09 14.82 10.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.21 1.404 . . . . 0.0 112.492 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.2 146.89 51.02 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.37 1.441 . . . . 0.0 110.761 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -143.08 162.99 34.07 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.108 1.363 . . . . 0.0 110.11 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.27 151.86 7.5 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 126.044 1.783 . . . . 0.0 109.899 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.31 138.55 26.45 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.27 17.6 m -145.32 163.72 33.67 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.122 -0.986 . . . . 0.0 110.5 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 140.38 40.17 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 p -137.65 164.0 29.88 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.713 1.205 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.56 146.72 50.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.38 29.61 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.554 0.616 . . . . 0.0 110.32 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.5 -45.9 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.747 1.219 . . . . 0.0 109.336 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.57 157.62 45.2 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -18.98 65.68 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -46.14 77.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 120.819 1.645 . . . . 0.0 111.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 m -65.17 -32.97 74.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.092 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -50.35 69.04 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.26 -40.36 93.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.64 0.654 . . . . 0.0 110.452 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -61.71 -52.59 63.66 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.29 0.636 . . . . 0.0 110.319 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -33.58 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-O 116.547 -1.692 . . . . 0.0 110.01 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -56.41 -44.39 80.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 120.904 1.684 . . . . 0.0 113.045 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.21 -49.97 67.69 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 120.286 1.403 . . . . 0.0 110.661 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -49.13 72.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.769 0.713 . . . . 0.0 111.936 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.24 -54.8 30.82 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 124.815 1.246 . . . . 0.0 111.314 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.02 69.12 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.803 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.86 -29.95 67.35 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.15 -15.68 63.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.619 0.768 . . . . 0.0 110.459 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -92.18 14.8 15.09 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.839 2.456 . . . . 0.0 109.959 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.2 39.88 95.09 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 127.506 2.479 . . . . 0.0 115.469 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -95.39 139.04 19.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 119.195 3.035 . . . . 0.0 119.195 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.59 101.26 4.05 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 100.573 -3.862 . . . . 0.0 100.573 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.88 -168.86 34.74 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 121.876 2.126 . . . . 0.0 114.934 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -104.94 149.49 25.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.193 1.797 . . . . 0.0 111.45 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -110.85 132.18 54.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.533 1.933 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 p -116.56 163.91 15.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.159 2.184 . . . . 0.0 107.726 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 48.1 t80 -139.78 140.56 36.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.11 96.94 4.61 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.934 2.493 . . . . 0.0 106.224 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.24 -22.73 63.39 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.65 77.51 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.35 -0.844 . . . . 0.0 113.201 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.87 13.48 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 127.39 2.276 . . . . 0.0 110.612 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 4' ' ' TYR . 58.7 mttt 46.05 42.52 9.67 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.398 3.079 . . . . 0.0 107.951 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -79.59 116.02 19.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.109 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -105.04 110.79 23.32 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.302 -3.221 . . . . 0.0 102.302 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 m -109.7 142.61 40.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.363 1.065 . . . . 0.0 108.827 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -129.02 137.02 58.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 m -127.85 117.5 21.94 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.774 1.23 . . . . 0.0 107.812 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 116.718 -1.61 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.8 175.46 40.75 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 121.826 2.103 . . . . 0.0 112.496 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -92.79 144.41 25.32 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -138.12 135.02 35.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -100.81 137.8 38.71 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 109.599 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -121.28 109.42 14.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 114.549 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -123.51 129.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 126.166 1.786 . . . . 0.0 109.337 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.6 138.94 52.23 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.822 2.049 . . . . 0.0 107.271 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.52 118.94 25.93 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.393 1.077 . . . . 0.0 109.441 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.69 170.47 13.28 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.987 1.756 . . . . 0.0 109.482 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -55.66 -50.5 70.07 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.203 -0.586 . . . . 0.0 111.466 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -123.69 3.51 8.9 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mp -127.88 152.24 48.09 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.791 1.178 . . . . 0.0 109.813 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -142.83 164.94 28.72 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.121 0.968 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.93 128.98 1.99 Allowed Glycine 0 C--O 1.226 -0.345 0 N-CA-C 107.213 -2.355 . . . . 0.0 107.213 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -135.6 126.71 27.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.243 1.521 . . . . 0.0 107.777 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -151.38 -178.3 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 110.745 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -130.34 157.54 42.27 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.192 1.797 . . . . 0.0 106.212 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 p -149.68 159.29 44.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.508 1.123 . . . . 0.0 109.046 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -130.18 148.9 52.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.68 144.44 35.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.573 -0.704 . . . . 0.0 110.297 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -65.58 -39.47 85.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.93 157.65 45.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.716 2.406 . . . . 0.0 106.314 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -19.42 62.07 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.31 70.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.224 0.92 . . . . 0.0 112.541 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -27.7 67.98 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.988 0.813 . . . . 0.0 112.671 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -40.93 80.28 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.45 -30.93 67.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.566 0.747 . . . . 0.0 111.289 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -73.82 -49.03 27.13 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.472 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.44 -34.86 59.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 123.567 0.747 . . . . 0.0 109.788 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -53.7 -44.53 69.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 119.184 0.902 . . . . 0.0 110.957 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -74.65 -48.03 28.58 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.17 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.56 -51.64 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.39 -48.13 43.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.793 -0.567 . . . . 0.0 110.775 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.33 73.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.648 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.65 -29.26 69.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.745 1.157 . . . . 0.0 111.095 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.36 -25.09 67.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.509 0.724 . . . . 0.0 109.905 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -84.45 -4.69 59.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.479 1.511 . . . . 0.0 110.871 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.54 94.13 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 119.702 1.137 . . . . 0.0 111.403 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.01 142.94 13.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -139.06 90.87 2.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 126.545 1.938 . . . . 0.0 105.917 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.82 -172.26 36.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 121.552 1.978 . . . . 0.0 115.793 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.23 149.0 21.64 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 129.243 3.017 . . . . 0.0 110.726 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -111.26 131.16 55.36 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.006 0.922 . . . . 0.0 113.416 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -130.39 156.29 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 7.9 t80 -139.87 146.76 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -129.7 121.14 26.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.581 1.552 . . . . 0.0 109.744 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.89 -14.79 62.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.04 70.2 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.687 1.13 . . . . 0.0 112.062 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -1.83 6.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.919 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 63.0 mttm 67.78 35.02 4.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 130.071 3.348 . . . . 0.0 104.863 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -77.27 145.7 37.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.588 2.355 . . . . 0.0 111.591 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -121.53 131.52 54.19 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 129.198 2.999 . . . . 0.0 102.965 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 p -126.55 135.99 51.99 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.899 1.68 . . . . 0.0 110.95 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.21 132.25 65.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 125.686 1.595 . . . . 0.0 107.481 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -127.87 104.67 7.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.381 0.672 . . . . 0.0 109.379 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.243 0.718 0 C-N-CA 125.659 1.584 . . . . 0.0 107.687 178.368 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.84 179.41 47.24 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 120.009 -1.091 . . . . 0.0 114.131 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -70.3 145.64 51.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.774 2.03 . . . . 0.0 109.793 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -138.4 126.49 22.74 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.667 -2.346 . . . . 0.0 104.667 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -102.26 126.6 49.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.34 115.32 23.32 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.191 1.397 . . . . 0.0 113.168 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -122.58 132.58 70.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 127.936 2.494 . . . . 0.0 109.247 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.21 132.06 56.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.184 2.194 . . . . 0.0 105.25 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.25 71.81 1.28 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.816 1.246 . . . . 0.0 110.177 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.54 174.19 50.78 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.36 -48.8 74.13 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 121.431 -1.041 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -121.7 4.0 10.07 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -128.11 141.64 51.43 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.671 1.188 . . . . 0.0 108.126 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -143.17 150.8 39.9 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.32 148.03 11.68 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -147.14 146.26 29.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.388 1.094 . . . . 0.0 110.347 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -156.76 171.93 19.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 111.095 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -141.57 151.65 43.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 128.148 2.579 . . . . 0.0 105.026 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -166.77 166.95 15.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.4 127.26 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.3 145.4 44.01 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 122.195 0.998 . . . . 0.0 112.061 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.78 -31.97 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -154.09 159.34 41.46 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.875 0.761 . . . . 0.0 110.218 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.3 75.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.668 0.787 . . . . 0.0 109.607 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.03 74.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 110.342 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -70.2 -43.76 70.06 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.05 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.991 0.916 . . . . 0.0 108.804 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.67 -34.59 59.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.732 2.013 . . . . 0.0 111.642 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -72.91 -47.97 41.16 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.888 -0.508 . . . . 0.0 111.017 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.47 -32.47 57.87 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.019 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -55.15 -44.03 74.78 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.28 0.945 . . . . 0.0 110.743 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -66.05 -49.87 66.14 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.571 1.078 . . . . 0.0 112.247 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -50.61 55.33 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.49 -0.766 . . . . 0.0 112.988 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.82 -41.17 97.44 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 119.201 0.909 . . . . 0.0 111.116 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.79 66.53 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.702 -0.624 . . . . 0.0 109.746 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.6 -33.96 76.04 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.292 0.951 . . . . 0.0 110.989 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.81 -24.75 67.65 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.12 0.968 . . . . 0.0 109.571 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -83.49 0.59 45.7 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.693 1.997 . . . . 0.0 109.883 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.25 36.06 92.35 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.753 1.644 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.94 141.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -139.44 65.42 1.44 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.68 -173.3 15.08 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 114.849 0.7 . . . . 0.0 114.849 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -99.93 150.41 22.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 129.49 3.116 . . . . 0.0 111.031 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -109.7 129.64 55.59 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 p -119.44 164.72 15.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.157 1.783 . . . . 0.0 107.373 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.34 143.32 39.85 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.54 97.62 4.76 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 128.656 2.782 . . . . 0.0 106.918 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.76 -10.86 40.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.85 -39.64 74.65 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.26 1.024 . . . . 0.0 111.08 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.2 -10.46 5.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 110.027 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.284 48.0 mttm 81.76 36.86 0.07 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 130.77 3.628 . . . . 0.0 107.714 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -75.43 116.04 15.73 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 129.258 3.023 . . . . 0.0 110.878 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.43 125.56 50.74 Favored 'General case' 0 N--CA 1.446 -0.666 1 N-CA-C 99.633 -4.21 . . . . 0.0 99.633 175.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -126.23 138.55 53.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.78 131.37 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 125.597 1.559 . . . . 0.0 109.664 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -128.28 122.7 32.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.246 0.889 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 178.428 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.28 177.48 48.29 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 120.059 1.299 . . . . 0.0 112.37 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 10.1 t -89.96 144.84 25.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.83 132.08 43.4 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -101.13 133.93 44.92 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.2 109.38 15.35 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 126.26 1.824 . . . . 0.0 112.643 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tt -123.37 131.53 72.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 127.507 2.323 . . . . 0.0 109.186 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.39 133.08 56.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.469 1.908 . . . . 0.0 108.653 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -123.49 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.513 1.525 . . . . 0.0 107.562 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.02 176.05 29.11 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.566 1.079 . . . . 0.0 110.537 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.63 -49.13 76.41 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.961 0.904 . . . . 0.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.9 1.21 9.29 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.83 1.252 . . . . 0.0 113.787 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 mt -128.44 134.0 48.66 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.615 1.166 . . . . 0.0 110.472 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -142.03 134.32 27.83 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.74 157.22 29.18 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.42 158.72 44.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.537 0.669 . . . . 0.0 111.518 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -155.04 172.04 18.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -144.37 142.7 30.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -155.07 167.44 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 25.4 tt0 -116.34 143.81 45.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 109.115 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.93 144.4 43.42 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.918 0.887 . . . . 0.0 112.275 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.72 -31.1 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.752 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -150.08 157.96 43.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -22.9 58.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.921 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.91 71.09 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.799 1.636 . . . . 0.0 109.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.8 m -70.65 -41.09 72.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.8 73.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.28 1.032 . . . . 0.0 108.868 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.67 -41.02 66.43 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.015 1.326 . . . . 0.0 110.23 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -67.65 -48.28 67.12 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 111.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.71 -33.75 65.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -56.18 -43.92 78.89 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.7 1.136 . . . . 0.0 111.215 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -65.62 -49.97 66.78 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.6 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -51.57 61.48 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.602 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -57.17 -53.34 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.297 1.039 . . . . 0.0 112.966 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -65.27 -43.91 89.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.297 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.16 -33.52 75.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.213 0.915 . . . . 0.0 111.768 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.715 1.206 . . . . 0.0 109.777 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.75 -0.98 57.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.368 2.667 . . . . 0.0 110.001 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.94 35.65 79.64 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.204 1.859 . . . . 0.0 115.377 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.412 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.5 m -83.56 144.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -138.73 84.39 2.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.18 -177.85 38.53 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.291 1.405 . . . . 0.0 115.845 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -96.53 147.99 23.29 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.494 3.118 . . . . 0.0 111.118 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -112.26 132.67 54.81 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 118.209 2.67 . . . . 0.0 118.209 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 p -121.68 160.94 23.42 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.047 2.539 . . . . 0.0 106.97 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 63.6 t80 -139.25 144.48 38.44 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.449 1.022 . . . . 0.0 112.455 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.35 106.9 9.33 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.52 -12.45 15.28 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -47.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.155 1.382 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.361 0.5 OUTLIER -127.55 6.43 6.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.934 0.894 . . . . 0.0 110.402 178.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.273 63.4 mttm 64.27 32.71 12.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 131.119 3.768 . . . . 0.0 109.011 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -73.4 124.58 26.05 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 129.362 3.065 . . . . 0.0 112.52 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -107.62 111.12 23.19 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -105.61 135.16 47.53 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.48 132.65 66.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 125.535 1.534 . . . . 0.0 107.164 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 m -128.46 104.5 7.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.598 1.559 . . . . 0.0 108.221 178.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 117.8 -1.095 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.21 -169.96 12.04 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 119.421 1.009 . . . . 0.0 113.055 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -115.42 142.37 46.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.778 1.631 . . . . 0.0 109.891 168.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.22 119.3 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.336 1.054 . . . . 0.0 111.77 -169.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -83.29 152.54 25.09 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -143.56 138.87 29.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.976 1.31 . . . . 0.0 109.764 -177.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tt -149.92 120.71 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.348 1.459 . . . . 0.0 109.608 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.601 HD23 HD22 ' A' ' 38' ' ' ASN . 2.1 mm? -86.87 164.44 16.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 0.0 109.622 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -126.44 122.13 34.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.307 1.443 . . . . 0.0 110.276 162.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.66 156.0 23.95 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.092 0.853 . . . . 0.0 113.032 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -45.91 -63.79 0.89 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 p -98.05 -34.61 10.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.736 1.615 . . . . 0.0 110.022 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -125.72 141.41 52.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.892 1.277 . . . . 0.0 109.668 -160.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -127.49 -179.34 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 154.35 10.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.015 0.817 . . . . 0.0 112.935 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.93 154.35 49.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.866 1.667 . . . . 0.0 108.643 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -168.05 175.03 6.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.601 1.56 . . . . 0.0 109.825 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -131.68 164.24 26.37 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.912 1.685 . . . . 0.0 109.951 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 p -135.04 162.69 31.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 109.899 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -134.86 120.57 19.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.956 1.702 . . . . 0.0 108.69 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.29 147.77 42.27 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.218 1.407 . . . . 0.0 110.661 -162.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 m -84.89 -24.07 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.842 1.657 . . . . 0.0 108.952 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.51 162.02 39.22 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.593 1.957 . . . . 0.0 109.534 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.57 59.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.302 1.441 . . . . 0.0 110.717 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.12 -32.84 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.148 1.379 . . . . 0.0 110.659 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -61.46 -52.1 65.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.664 1.586 . . . . 0.0 109.895 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.2 66.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.223 1.409 . . . . 0.0 110.601 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -51.62 -40.91 60.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.884 1.673 . . . . 0.0 108.767 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -69.97 -46.69 64.7 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.92 -50.55 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.092 1.757 . . . . 0.0 108.967 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -42.5 -51.5 5.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.763 1.225 . . . . 0.0 110.859 -172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -68.59 -35.1 76.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.81 -42.95 18.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.404 1.082 . . . . 0.0 108.864 -175.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HD13 ' A' ' 6' ' ' LEU . 45.8 t80 -56.17 -63.71 1.1 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.261 1.024 . . . . 0.0 111.792 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.32 61.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.091 1.356 . . . . 0.0 110.739 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.44 -22.03 66.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 110.201 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -74.52 -25.43 59.34 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.536 1.935 . . . . 0.0 109.619 170.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.601 HD22 HD23 ' A' ' 8' ' ' LEU . 8.4 t-20 -93.2 -12.09 31.09 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.34 1.456 . . . . 0.0 110.246 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.76 76.36 0.6 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.051 0.834 . . . . 0.0 113.026 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.85 144.05 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.887 1.675 . . . . 0.0 108.992 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -148.17 46.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.644 1.977 . . . . 0.0 109.543 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 -136.31 6.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.103 0.858 . . . . 0.0 113.019 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -146.55 151.82 37.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.945 1.698 . . . . 0.0 108.784 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -120.22 131.93 55.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.438 1.095 . . . . 0.0 111.672 -160.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -129.12 131.35 47.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 109.859 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.8 138.35 42.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.224 1.01 . . . . 0.0 111.721 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -135.09 124.62 25.01 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.675 1.99 . . . . 0.0 109.611 171.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.94 -11.42 59.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.595 1.958 . . . . 0.0 109.566 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.6 -53.48 23.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.155 1.382 . . . . 0.0 110.547 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 52' ' ' THR . 1.4 t -123.6 27.91 7.19 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.784 1.634 . . . . 0.0 109.924 163.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 49.83 43.45 24.89 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.8 t -91.13 145.72 24.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.606 1.562 . . . . 0.0 109.986 -170.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -112.99 117.61 32.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.743 1.217 . . . . 0.0 110.819 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -105.13 128.25 53.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.738 1.615 . . . . 0.0 109.889 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -108.59 132.01 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.791 1.636 . . . . 0.0 108.914 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.3 m -120.96 118.03 28.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.67 1.588 . . . . 0.0 109.947 168.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.257 1.453 0 C-N-CA 128.723 2.809 . . . . 0.0 108.772 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttm . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.59 -175.54 38.17 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.031 -1.628 . . . . 0.0 109.031 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -109.87 143.49 39.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 1.2 m-85 -134.73 160.4 38.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.977 0.911 . . . . 0.0 110.807 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -124.83 125.74 44.48 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.566 0.346 . . . . 0.0 110.465 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -120.68 109.49 15.27 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 119.977 -1.702 . . . . 0.0 110.967 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.64 132.1 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 127.333 2.253 . . . . 0.0 111.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.91 129.45 55.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.304 2.242 . . . . 0.0 108.289 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -119.79 87.74 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.94 178.41 51.11 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 125.039 1.304 . . . . 0.0 111.64 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.18 -50.07 73.98 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.541 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 t -124.14 -17.68 6.12 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.087 0.955 . . . . 0.0 112.897 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 tp -108.0 128.08 54.34 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.665 1.186 . . . . 0.0 114.138 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -114.89 157.92 22.68 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.87 137.59 4.64 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.84 128.06 15.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.379 1.072 . . . . 0.0 108.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -134.52 168.12 19.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.513 0.673 . . . . 0.0 110.12 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.0 t -145.52 141.19 28.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -148.87 162.03 40.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.758 0.423 . . . . 0.0 110.596 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -120.99 133.17 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 127.511 2.325 . . . . 0.0 105.493 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 156.15 46.66 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.776 0.798 . . . . 0.0 110.44 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.88 -44.46 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.137 1.375 . . . . 0.0 111.888 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -142.08 160.31 40.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 109.493 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.16 72.08 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.504 0.722 . . . . 0.0 111.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.85 73.8 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.545 1.066 . . . . 0.0 111.023 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.5 m -68.64 -34.29 75.48 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.933 -1.105 . . . . 0.0 109.611 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.66 57.84 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.307 1.043 . . . . 0.0 110.766 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.67 -32.53 73.61 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.671 1.588 . . . . 0.0 111.05 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.8 -52.66 34.47 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 120.552 -1.342 . . . . 0.0 109.608 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.9 -31.93 55.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.028 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 120.41 1.459 . . . . 0.0 109.168 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -77.84 -50.02 13.11 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 118.855 0.752 . . . . 0.0 110.511 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.58 -51.49 69.27 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -66.78 -50.85 61.37 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 119.674 1.124 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.2 94.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.015 -0.428 . . . . 0.0 111.803 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.39 -39.83 92.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 118.618 0.645 . . . . 0.0 110.642 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.68 -27.01 68.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.873 0.869 . . . . 0.0 110.33 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -83.78 3.46 33.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.442 2.297 . . . . 0.0 111.072 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.14 39.91 88.28 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 125.496 1.522 . . . . 0.0 115.997 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.02 131.44 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -139.62 65.48 1.43 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.74 -177.84 25.89 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 121.606 0.559 . . . . 0.0 113.102 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.58 149.65 26.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.381 2.272 . . . . 0.0 109.615 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -110.97 150.61 29.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.374 1.07 . . . . 0.0 111.618 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -140.09 159.2 42.72 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.965 2.106 . . . . 0.0 106.409 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 56.7 t80 -133.79 145.73 50.05 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.67 101.25 5.82 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.432 2.293 . . . . 0.0 108.142 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.7 -11.03 22.49 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.17 -52.16 64.21 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 120.07 1.305 . . . . 0.0 111.386 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -127.22 13.18 7.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.197 0.999 . . . . 0.0 109.036 177.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.286 31.3 mttm 61.85 48.54 5.32 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 129.697 3.199 . . . . 0.0 107.629 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 m -75.51 136.73 40.61 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -121.77 120.05 33.49 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 m -118.25 138.98 51.98 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.3 t -129.53 136.33 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.95 112.76 15.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.146 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.19 40.74 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 119.821 1.191 . . . . 0.0 111.43 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -97.0 143.8 27.51 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 22.7 m-85 -130.08 128.26 41.53 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.308 1.043 . . . . 0.0 109.652 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -101.9 128.61 48.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.3 109.46 14.95 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.4 -1.438 . . . . 0.0 111.806 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.75 130.81 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.681 2.393 . . . . 0.0 111.615 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.63 140.72 50.16 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 127.261 2.225 . . . . 0.0 111.564 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -117.42 118.02 31.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.75 -160.92 33.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.95 -52.11 39.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.688 1.244 . . . . 0.0 107.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 t -124.3 -23.96 4.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.375 1.07 . . . . 0.0 113.058 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -99.5 130.11 45.73 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.739 1.216 . . . . 0.0 112.54 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.1 145.5 39.65 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.102 1.761 . . . . 0.0 110.149 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.97 154.76 25.73 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 123.749 0.69 . . . . 0.0 111.883 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.61 150.65 27.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 117.945 0.872 . . . . 0.0 112.084 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -147.95 170.94 16.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.054 0.454 . . . . 0.0 110.078 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -143.16 160.29 40.71 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.779 2.032 . . . . 0.0 107.056 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -166.68 166.39 15.98 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.35 1.06 . . . . 0.0 108.169 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -128.08 122.56 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 147.66 44.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.99 0.9 . . . . 0.0 111.423 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 m -71.22 -38.4 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -140.69 158.68 43.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.713 2.005 . . . . 0.0 109.214 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -19.03 59.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.0 63.12 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 121.389 1.904 . . . . 0.0 112.146 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -28.91 70.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.648 -0.657 . . . . 0.0 110.856 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.56 61.99 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.904 1.282 . . . . 0.0 109.401 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.81 -32.97 74.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 108.416 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -72.43 -51.22 21.26 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.313 1.445 . . . . 0.0 109.786 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -32.02 52.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 123.713 0.805 . . . . 0.0 111.437 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.75 -44.77 73.92 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.594 0.758 . . . . 0.0 109.108 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.19 -49.33 14.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.562 0.619 . . . . 0.0 112.128 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.93 -52.35 65.86 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.81 -44.29 66.87 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.262 1.392 . . . . 0.0 111.683 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.68 93.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.403 0.681 . . . . 0.0 110.247 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -70.56 -29.47 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.316 -1.49 . . . . 0.0 111.225 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.37 -18.97 63.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.14 -5.05 56.9 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 129.39 3.076 . . . . 0.0 108.215 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.35 39.87 97.35 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 127.395 2.426 . . . . 0.0 115.016 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -92.3 138.92 18.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.14 65.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.84 -174.46 13.46 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.9 1.238 . . . . 0.0 113.262 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.04 149.98 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.861 2.464 . . . . 0.0 110.02 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -110.6 150.84 28.39 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.101 0.96 . . . . 0.0 113.107 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 p -137.03 155.06 50.16 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 127.507 2.323 . . . . 0.0 105.683 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 65.7 t80 -139.8 142.45 36.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.47 105.85 8.37 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.043 1.737 . . . . 0.0 107.241 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.86 -11.08 24.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.81 72.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.082 1.353 . . . . 0.0 110.41 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -126.78 9.45 6.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.239 1.416 . . . . 0.0 109.081 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 27.9 mttm 57.21 40.71 27.82 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 130.116 3.367 . . . . 0.0 108.207 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 m -82.38 115.64 21.51 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.814 1.246 . . . . 0.0 111.058 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -97.01 130.0 44.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 102.016 -3.327 . . . . 0.0 102.016 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -126.48 142.38 51.56 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.224 0.61 . . . . 0.0 109.802 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.55 139.11 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 126.352 1.861 . . . . 0.0 109.007 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -122.96 104.03 8.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.108 1.363 . . . . 0.0 108.335 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.381 1.472 . . . . 0.0 107.919 178.698 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.468 0.436 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.39 179.7 42.36 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -104.61 138.11 41.44 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.38 133.23 34.59 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.811 0.844 . . . . 0.0 109.145 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -101.77 134.04 45.56 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 111.089 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.09 112.93 18.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.31 131.71 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.46 2.304 . . . . 0.0 108.886 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.25 123.32 43.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.206 1.802 . . . . 0.0 108.434 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.412 ' OD1' ' HE2' ' A' ' 14' ' ' LYS . 68.9 m-80 -97.08 145.9 25.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.98 171.5 22.72 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -57.79 -50.45 73.23 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 122.392 -0.475 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -124.04 4.76 8.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.612 1.565 . . . . 0.0 112.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -126.24 143.54 51.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.173 1.351 . . . . 0.0 111.715 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE2' ' OD1' ' A' ' 9' ' ' ASN . 83.5 mttt -142.63 149.38 38.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.544 1.538 . . . . 0.0 108.927 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.98 147.49 14.66 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 107.959 -2.057 . . . . 0.0 107.959 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.24 116.08 6.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.617 1.208 . . . . 0.0 109.151 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -125.13 174.04 8.33 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.592 0.357 . . . . 0.0 111.07 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -147.12 158.52 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -159.72 163.96 34.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -129.38 137.69 51.09 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.199 -3.26 . . . . 0.0 102.199 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.34 152.81 47.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 119.606 1.094 . . . . 0.0 111.09 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -53.56 -46.01 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.585 1.554 . . . . 0.0 110.609 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.92 158.69 43.66 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.0 1.32 . . . . 0.0 108.221 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -19.48 65.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.748 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.79 83.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.593 1.542 . . . . 0.0 109.151 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -61.54 -39.56 91.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.776 0.83 . . . . 0.0 109.824 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.0 -42.25 99.8 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.99 1.268 . . . . 0.0 108.902 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.15 -52.75 53.25 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.507 0.323 . . . . 0.0 110.483 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -33.7 59.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.565 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -41.56 77.95 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.442 1.019 . . . . 0.0 110.123 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -75.53 -50.05 16.83 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.278 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -52.12 50.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.93 -47.04 86.45 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.281 0.946 . . . . 0.0 112.344 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -49.06 37.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.0 -33.72 76.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.698 1.136 . . . . 0.0 111.859 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.68 -16.7 63.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.332 1.053 . . . . 0.0 110.282 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -86.58 -5.4 59.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.986 2.114 . . . . 0.0 108.837 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.93 40.7 16.28 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-O 117.839 -1.534 . . . . 0.0 114.663 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.66 136.31 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -139.69 65.64 1.42 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.249 1.82 . . . . 0.0 107.82 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.97 -164.3 10.24 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.687 1.137 . . . . 0.0 114.158 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -98.07 146.06 25.92 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.601 1.16 . . . . 0.0 111.785 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -112.09 143.62 42.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.547 1.539 . . . . 0.0 114.706 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -125.73 166.38 16.89 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.647 1.979 . . . . 0.0 108.078 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 38.4 t80 -135.09 136.23 41.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.89 101.0 6.14 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.287 2.635 . . . . 0.0 106.439 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.37 -14.4 18.46 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.35 76.58 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.732 1.605 . . . . 0.0 112.548 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 13.39 7.1 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.889 1.275 . . . . 0.0 108.338 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 48.1 mttm 54.78 47.02 23.34 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.603 2.361 . . . . 0.0 105.669 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -76.77 115.31 16.43 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 131.628 3.971 . . . . 0.0 111.64 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.63 134.88 47.05 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -128.77 142.46 50.98 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.48 138.6 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 125.432 1.493 . . . . 0.0 109.991 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.4 m -113.54 103.56 11.39 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.831 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 119.512 -0.28 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.57 -179.59 46.67 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -95.12 143.28 26.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -131.47 140.69 49.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.696 -1.965 . . . . 0.0 105.696 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.34 133.46 47.23 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.112 0.869 . . . . 0.0 109.79 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -121.64 108.86 14.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.338 -1.476 . . . . 0.0 109.856 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 129.139 2.976 . . . . 0.0 112.056 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.92 140.27 49.95 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.686 1.995 . . . . 0.0 108.927 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -126.17 104.18 8.1 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.674 -2.713 . . . . 0.0 103.674 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.96 -175.92 34.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -62.37 -50.47 71.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -123.38 -21.5 5.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.726 1.61 . . . . 0.0 111.385 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.14 143.23 28.13 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.822 1.249 . . . . 0.0 111.165 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -143.12 145.18 32.61 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.27 152.8 19.94 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.03 145.52 25.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.618 0.767 . . . . 0.0 109.609 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 -179.89 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.47 150.81 35.29 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -141.97 121.51 13.3 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.43 111.58 22.52 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -179.67 4.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.532 1.133 . . . . 0.0 110.261 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.53 -44.92 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 123.715 0.806 . . . . 0.0 110.434 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.11 164.92 31.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.77 1.628 . . . . 0.0 108.136 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.03 69.79 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.482 0.713 . . . . 0.0 112.916 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.55 68.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.964 1.256 . . . . 0.0 111.227 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 m -70.36 -36.19 74.01 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 121.202 -0.936 . . . . 0.0 109.135 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.93 66.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.631 0.773 . . . . 0.0 109.978 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.49 -31.15 70.2 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.471 1.109 . . . . 0.0 110.986 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.62 -53.1 53.02 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.407 1.083 . . . . 0.0 109.659 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.37 -30.67 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 125.057 1.343 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -53.81 -44.14 69.94 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.971 0.908 . . . . 0.0 109.275 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -77.58 -50.04 13.37 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.69 -0.671 . . . . 0.0 112.122 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.97 -52.6 62.38 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -63.17 -50.23 71.18 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 120.603 1.547 . . . . 0.0 112.021 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.33 70.46 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.51 -35.83 74.93 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.198 0.908 . . . . 0.0 112.491 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.4 -26.79 63.86 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.786 1.634 . . . . 0.0 110.513 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -83.72 12.35 6.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.737 2.415 . . . . 0.0 110.612 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.67 38.05 93.22 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 125.227 1.394 . . . . 0.0 114.932 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.39 140.75 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 118.546 1.173 . . . . 0.0 114.136 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.47 93.11 2.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.284 -2.487 . . . . 0.0 104.284 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.26 -177.77 48.46 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 121.686 2.039 . . . . 0.0 115.366 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.05 150.15 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 129.256 3.022 . . . . 0.0 110.574 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -111.35 144.09 41.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.258 1.023 . . . . 0.0 113.217 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -131.41 161.19 33.03 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 127.084 2.154 . . . . 0.0 105.905 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -139.93 146.43 39.18 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.94 97.01 4.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 127.218 2.207 . . . . 0.0 108.082 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.98 -18.74 63.58 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.24 70.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.056 0.942 . . . . 0.0 112.259 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -127.45 -3.34 6.13 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.829 1.652 . . . . 0.0 110.42 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.285 81.5 mttt 66.27 34.63 6.41 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 131.077 3.751 . . . . 0.0 108.02 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -85.11 115.43 22.91 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 126.273 1.829 . . . . 0.0 113.278 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -94.76 126.35 40.01 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 102.494 -3.151 . . . . 0.0 102.494 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.6 m -123.23 141.53 51.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.764 0.711 . . . . 0.0 110.206 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -129.97 138.84 53.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 127.025 2.13 . . . . 0.0 109.013 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -127.51 128.33 45.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.243 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.43 -174.98 45.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 115.96 31.19 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 42.0 m-85 -111.69 133.63 53.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.236 1.814 . . . . 0.0 108.545 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -102.0 134.27 45.49 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.779 0.718 . . . . 0.0 110.846 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.83 107.98 13.39 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.446 0.698 . . . . 0.0 111.673 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tt -124.48 131.99 71.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.679 1.992 . . . . 0.0 111.651 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -118.71 138.85 52.36 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.545 1.138 . . . . 0.0 108.105 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -126.14 91.01 3.29 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.51 0.595 . . . . 0.0 111.18 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.75 176.65 25.14 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.838 1.208 . . . . 0.0 111.859 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -55.22 -50.31 69.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.073 0.949 . . . . 0.0 110.941 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -123.4 -27.45 4.09 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.406 1.082 . . . . 0.0 111.058 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.71 113.84 22.9 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.661 1.584 . . . . 0.0 111.646 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -142.04 157.99 44.28 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.58 151.84 10.84 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.47 127.28 17.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.291 1.436 . . . . 0.0 108.146 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -141.17 179.69 6.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.419 -0.801 . . . . 0.0 111.532 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -130.28 140.59 50.66 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 126.186 1.795 . . . . 0.0 106.287 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -129.85 124.99 34.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 126.321 1.849 . . . . 0.0 112.127 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -128.73 133.87 48.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.81 -177.65 5.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.488 1.515 . . . . 0.0 107.417 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.5 -46.09 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 O-C-N 121.691 -0.631 . . . . 0.0 110.101 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -140.64 159.23 42.65 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.142 1.377 . . . . 0.0 108.989 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.59 -20.13 63.64 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.802 0.728 . . . . 0.0 111.26 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.23 85.69 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.79 -1.194 . . . . 0.0 109.793 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -66.26 -33.24 75.3 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.59 -28.96 56.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.762 2.025 . . . . 0.0 112.671 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.57 -32.79 59.15 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.327 0.967 . . . . 0.0 112.104 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.81 -52.51 36.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -32.96 59.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.017 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.92 -44.37 78.25 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.394 1.078 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -77.11 -49.11 15.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.387 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.31 -51.49 68.65 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.95 -41.95 75.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 119.91 1.232 . . . . 0.0 111.833 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.69 -49.21 32.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 121.928 -0.483 . . . . 0.0 110.85 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.76 -35.85 77.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 120.867 -1.145 . . . . 0.0 111.263 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.65 -23.85 63.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.088 1.755 . . . . 0.0 108.922 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -5.44 58.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.89 1.676 . . . . 0.0 107.85 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.31 31.73 56.65 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 125.683 1.611 . . . . 0.0 114.356 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -84.08 138.47 19.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.48 65.63 1.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.52 -175.0 16.22 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 113.14 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.6 148.69 22.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.843 1.257 . . . . 0.0 109.666 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -111.1 143.69 41.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.37 1.068 . . . . 0.0 113.134 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 p -129.31 170.01 14.15 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 127.084 2.154 . . . . 0.0 108.099 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -140.53 143.16 35.25 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.11 96.11 4.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.607 1.963 . . . . 0.0 106.164 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.78 -22.98 66.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.88 -33.94 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.965 1.257 . . . . 0.0 112.613 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -3.16 6.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.92 1.688 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.263 74.5 mttt 62.54 37.42 13.2 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 130.982 3.713 . . . . 0.0 109.26 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -80.71 116.2 20.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.566 1.946 . . . . 0.0 111.427 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -102.56 111.25 23.47 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 m -109.51 143.12 39.59 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.576 1.15 . . . . 0.0 111.043 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -120.29 138.82 49.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 126.316 1.846 . . . . 0.0 106.637 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 m -126.51 106.71 9.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.484 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 123.662 0.785 . . . . 0.0 109.827 178.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' A' ' 23' ' ' ASP . 3.2 ttt . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.73 -173.65 46.45 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -96.31 137.2 35.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 7.2 m-85 -133.62 157.3 46.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.131 1.372 . . . . 0.0 109.237 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -122.02 136.93 54.96 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.245 0.475 . . . . 0.0 111.511 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.49 108.92 13.71 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.833 1.253 . . . . 0.0 109.359 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -122.46 132.67 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.717 2.807 . . . . 0.0 110.467 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.54 139.83 50.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 126.3 1.84 . . . . 0.0 110.53 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -126.55 83.62 2.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.707 1.203 . . . . 0.0 110.69 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.74 167.92 31.29 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -57.29 -49.95 74.47 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.666 -0.902 . . . . 0.0 112.411 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 6.0 t -123.58 10.72 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.084 0.554 . . . . 0.0 112.168 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -129.02 139.27 52.14 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.776 -1.202 . . . . 0.0 109.229 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -142.44 157.0 45.23 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.189 0.995 . . . . 0.0 109.769 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 148.58 10.0 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.69 116.81 6.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.516 1.158 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -130.87 177.02 7.74 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.092 -1.005 . . . . 0.0 111.212 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -138.77 151.41 47.06 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.094 1.357 . . . . 0.0 108.556 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 m -149.09 138.16 21.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.653 0.739 . . . . 0.0 109.474 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -118.42 124.14 46.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.63 165.02 28.54 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.743 0.782 . . . . 0.0 109.522 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 m -57.56 -40.05 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.009 1.324 . . . . 0.0 111.803 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 15.3 t70 -152.79 162.97 40.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.508 1.123 . . . . 0.0 110.669 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.44 80.33 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.58 78.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.679 0.792 . . . . 0.0 111.261 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -69.53 -35.14 75.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.898 0.879 . . . . 0.0 110.433 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.04 55.41 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.85 0.86 . . . . 0.0 112.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.8 -30.56 45.4 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.069 0.85 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.86 -49.35 70.88 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 121.046 -1.034 . . . . 0.0 109.448 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -33.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.851 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CZ ' ' CE3' ' A' ' 44' ' ' TRP . 1.2 t80 -56.32 -45.08 80.45 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.109 0.868 . . . . 0.0 109.267 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -77.25 -49.15 15.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.423 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -52.24 65.78 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.79 -49.51 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 119.333 0.969 . . . . 0.0 111.449 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -50.47 73.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 117.646 0.203 . . . . 0.0 111.389 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.61 -34.07 77.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.067 -1.021 . . . . 0.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.12 -23.09 63.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.768 0.827 . . . . 0.0 109.57 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -83.3 -4.91 58.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.503 1.921 . . . . 0.0 108.596 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.54 27.56 61.06 Favored Glycine 0 C--N 1.343 0.945 0 C-N-CA 126.519 2.009 . . . . 0.0 115.406 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.65 143.52 12.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -138.75 104.38 5.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.61 178.8 48.21 Favored Glycine 0 N--CA 1.468 0.832 0 CA-C-N 120.4 1.455 . . . . 0.0 112.649 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.03 149.41 21.84 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.49 1.916 . . . . 0.0 110.937 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' ' CZ ' ' A' ' 31' ' ' PHE . 26.4 m95 -111.01 142.79 42.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.76 1.224 . . . . 0.0 114.198 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -133.51 160.08 38.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.719 2.408 . . . . 0.0 107.734 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -139.55 145.45 38.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.087 1.312 . . . . 0.0 113.971 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.29 96.81 4.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.863 2.065 . . . . 0.0 105.989 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.88 -17.7 63.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.805 0.842 . . . . 0.0 112.351 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.45 -28.55 65.4 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.32 1.048 . . . . 0.0 112.092 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 t -127.73 -22.34 3.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.826 1.651 . . . . 0.0 110.382 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.341 89.2 mttt 83.14 29.07 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 1 C-N-CA 133.427 4.691 . . . . 0.0 108.288 -179.854 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.9 m -80.31 127.66 32.64 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.694 1.998 . . . . 0.0 109.651 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -107.77 111.23 23.29 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 103.122 -2.918 . . . . 0.0 103.122 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -103.96 142.37 34.55 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.96 138.48 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -126.34 104.61 8.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 tpp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.95 45.7 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -97.82 135.97 38.81 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -122.12 140.42 52.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.352 1.061 . . . . 0.0 109.155 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -101.43 137.48 39.71 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.126 0.876 . . . . 0.0 109.921 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.59 108.03 13.54 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.064 1.346 . . . . 0.0 111.529 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 tt -124.3 125.49 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 127.31 2.244 . . . . 0.0 108.438 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.84 140.8 49.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.073 1.349 . . . . 0.0 111.608 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -121.18 123.54 42.52 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 172.06 21.92 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 127.361 2.41 . . . . 0.0 107.883 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -57.7 -52.2 66.42 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.252 3.9 t -123.98 -2.09 8.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.854 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.2 mt -115.02 115.95 27.66 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.03 1.332 . . . . 0.0 107.77 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.96 149.4 40.04 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.57 167.45 35.8 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.49 153.54 40.54 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 122.787 0.435 . . . . 0.0 111.078 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -156.35 -174.85 5.13 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.221 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.55 148.01 38.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -141.78 166.52 24.5 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.519 1.528 . . . . 0.0 109.299 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -130.92 149.26 52.63 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 127.248 2.219 . . . . 0.0 107.548 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.98 144.57 26.86 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 119.655 1.116 . . . . 0.0 109.188 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.04 -32.57 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -140.05 158.02 44.73 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.69 63.9 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.266 -0.896 . . . . 0.0 108.923 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.09 64.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.425 1.49 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -76.81 -33.68 57.96 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.182 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.86 74.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 32.9 tt0 -56.13 -35.81 67.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.992 1.717 . . . . 0.0 112.16 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.58 -52.68 9.25 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.785 0.834 . . . . 0.0 110.343 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.279 0.7 OUTLIER -59.64 -31.77 47.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 117.487 -1.244 . . . . 0.0 110.471 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.3 m-30 -55.39 -44.2 75.89 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.688 1.586 . . . . 0.0 110.171 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.22 -49.61 63.88 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 118.511 0.596 . . . . 0.0 110.517 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.73 -50.39 74.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.734 0.814 . . . . 0.0 111.314 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.63 -54.35 24.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.734 1.213 . . . . 0.0 112.943 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.21 72.24 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.686 -0.634 . . . . 0.0 111.356 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -55.98 -28.97 59.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.673 -0.68 . . . . 0.0 112.519 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.22 -29.35 65.64 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.164 0.986 . . . . 0.0 111.385 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -84.29 5.39 26.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.932 1.293 . . . . 0.0 111.41 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.24 38.2 92.91 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 120.394 1.452 . . . . 0.0 111.26 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.04 141.36 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -139.22 126.27 21.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.731 2.812 . . . . 0.0 104.112 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.75 173.68 26.48 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 121.82 2.1 . . . . 0.0 111.512 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -89.65 149.42 22.81 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.82 1.648 . . . . 0.0 109.549 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -111.0 127.4 55.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.97 156.09 35.46 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.1 2.16 . . . . 0.0 106.028 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.4 146.9 40.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.928 1.24 . . . . 0.0 112.893 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.53 97.87 5.49 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.631 2.372 . . . . 0.0 106.62 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.01 -25.05 64.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.52 68.28 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.467 0.707 . . . . 0.0 112.721 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -126.81 0.49 6.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.788 1.635 . . . . 0.0 111.016 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 37.9 mttp 59.21 24.73 13.18 Favored 'General case' 0 N--CA 1.436 -1.137 1 C-N-CA 132.07 4.148 . . . . 0.0 110.672 -179.268 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -75.05 127.08 32.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.849 1.66 . . . . 0.0 109.971 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.49 110.73 21.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.533 -2.766 . . . . 0.0 103.533 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.0 p -100.07 142.2 31.87 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.662 1.185 . . . . 0.0 111.129 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 t -128.13 138.81 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.78 1.632 . . . . 0.0 107.436 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -127.27 104.32 7.88 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.562 0.745 . . . . 0.0 110.832 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.45 -150.67 5.65 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.455 1.025 . . . . 0.0 112.999 167.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -112.6 154.79 25.47 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.808 1.643 . . . . 0.0 110.006 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -142.92 133.12 24.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.222 1.009 . . . . 0.0 111.784 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -92.57 149.72 21.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 150.46 45.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.911 1.284 . . . . 0.0 109.701 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -155.84 121.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.272 1.429 . . . . 0.0 109.449 165.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.0 mm? -86.65 143.47 27.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.831 1.252 . . . . 0.0 109.608 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -125.64 96.12 4.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.247 1.419 . . . . 0.0 110.186 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.24 178.88 18.85 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.099 0.857 . . . . 0.0 112.969 169.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -45.4 -53.64 8.4 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -139.28 28.31 2.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.819 1.648 . . . . 0.0 110.019 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -135.43 105.11 6.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.967 1.307 . . . . 0.0 109.758 -171.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.33 -174.05 3.12 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.69 139.46 3.88 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.11 0.862 . . . . 0.0 113.014 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.08 166.17 12.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.928 1.691 . . . . 0.0 108.696 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -169.39 162.13 10.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.889 1.676 . . . . 0.0 110.03 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -120.33 140.17 51.67 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.778 1.631 . . . . 0.0 109.953 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.51 155.31 43.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.673 1.589 . . . . 0.0 109.876 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -130.66 152.6 49.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.927 1.691 . . . . 0.0 108.71 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.9 26.67 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 110.575 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -89.19 -38.17 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.782 1.633 . . . . 0.0 109.07 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -133.82 155.8 49.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.62 1.968 . . . . 0.0 109.558 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.77 43.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.334 1.454 . . . . 0.0 110.576 -168.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.93 90.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.168 1.387 . . . . 0.0 110.665 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -48.36 -61.25 2.1 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.705 1.602 . . . . 0.0 109.932 167.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -47.07 81.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.111 1.364 . . . . 0.0 110.659 -173.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 8.7 tt0 -51.23 -43.16 61.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.933 1.693 . . . . 0.0 108.734 178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -76.75 -29.28 56.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -42.21 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.921 1.688 . . . . 0.0 108.991 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.1 m-30 -51.44 -37.52 49.1 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.628 1.171 . . . . 0.0 110.976 -174.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -85.02 -20.12 30.96 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.08 -61.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.306 1.042 . . . . 0.0 108.876 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CE1' HD21 ' A' ' 8' ' ' LEU . 18.2 t80 -46.14 -50.99 14.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.203 1.001 . . . . 0.0 111.815 -174.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -76.93 -42.48 39.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.145 1.378 . . . . 0.0 110.629 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -46.41 -35.87 5.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.356 1.462 . . . . 0.0 110.209 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.55 -22.32 64.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.626 1.97 . . . . 0.0 109.584 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.84 -13.89 19.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.313 1.445 . . . . 0.0 110.269 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.78 75.27 1.22 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.096 0.855 . . . . 0.0 113.033 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.7 m -122.45 143.13 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.931 1.692 . . . . 0.0 109.13 -172.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -147.93 61.38 1.12 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.607 1.963 . . . . 0.0 109.547 167.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.01 -140.59 5.98 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.085 0.85 . . . . 0.0 112.921 -163.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.75 139.72 19.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.94 1.696 . . . . 0.0 108.719 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.53 121.27 44.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.358 1.063 . . . . 0.0 111.74 -160.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.2 m -126.8 119.25 26.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.763 1.625 . . . . 0.0 109.996 -170.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -98.77 122.36 41.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.136 0.974 . . . . 0.0 111.796 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -98.86 116.04 30.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.655 1.982 . . . . 0.0 109.545 161.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.47 -12.3 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.686 1.995 . . . . 0.0 109.495 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.4 -66.09 0.59 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.163 1.385 . . . . 0.0 110.698 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.445 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -101.25 19.13 18.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.732 1.613 . . . . 0.0 109.929 169.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.7 mttt 47.51 42.4 14.54 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.8 m -86.75 131.68 34.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.78 1.632 . . . . 0.0 110.03 -170.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -99.76 100.88 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.701 1.201 . . . . 0.0 110.834 165.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 m -91.19 119.32 31.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.793 1.637 . . . . 0.0 109.93 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -112.28 125.15 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.847 1.659 . . . . 0.0 109.014 -175.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -113.51 135.92 53.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.695 1.598 . . . . 0.0 109.932 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.736 2.814 . . . . 0.0 108.694 161.532 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.0 165.21 33.61 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -77.91 143.58 37.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -130.5 138.54 50.3 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.59 138.77 36.21 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.99 110.59 16.0 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 120.774 -1.204 . . . . 0.0 110.911 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 tt -122.67 126.19 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.856 2.462 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.27 139.36 51.44 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.34 1.056 . . . . 0.0 109.75 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -124.03 67.72 1.05 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.803 0.841 . . . . 0.0 109.264 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.06 43.79 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.62 -49.33 75.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.037 -1.272 . . . . 0.0 111.791 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 0.5 OUTLIER -121.8 -9.08 8.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 137.0 52.45 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -142.44 166.11 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.882 0.873 . . . . 0.0 110.421 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.38 170.28 42.75 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -152.04 138.82 18.87 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.996 0.918 . . . . 0.0 108.964 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -142.94 173.24 11.73 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.11 142.87 49.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -144.92 163.26 34.67 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.54 143.34 50.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.462 2.305 . . . . 0.0 108.132 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.32 145.17 18.99 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.102 1.319 . . . . 0.0 110.2 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.0 -43.88 93.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.225 1.01 . . . . 0.0 111.126 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -139.96 158.3 44.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.24 64.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.807 -0.616 . . . . 0.0 109.505 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.47 65.75 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 110.598 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -67.81 -36.95 81.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.495 0.718 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.58 89.46 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.353 0.661 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.24 -40.87 68.14 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 111.003 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.67 -42.29 51.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.26 0.624 . . . . 0.0 111.425 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -32.99 60.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 CA-C-O 118.166 -0.921 . . . . 0.0 109.624 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -56.18 -44.83 79.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 119.988 1.267 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -66.59 -49.24 66.99 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.175 0.443 . . . . 0.0 110.164 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.57 -51.09 71.37 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.817 0.847 . . . . 0.0 111.881 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.23 -54.24 49.19 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.995 1.318 . . . . 0.0 111.514 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.65 95.66 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.202 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.18 -33.2 70.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.81 -26.47 68.64 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.751 0.705 . . . . 0.0 110.099 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.45 3.4 32.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.325 1.85 . . . . 0.0 110.101 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.57 36.61 88.48 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 126.989 2.233 . . . . 0.0 114.074 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.28 142.96 13.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.74 95.28 2.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.58 -176.5 40.64 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.518 1.963 . . . . 0.0 113.909 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -99.87 149.81 23.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.098 1.759 . . . . 0.0 110.4 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -105.37 133.25 50.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -128.97 157.11 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.843 2.457 . . . . 0.0 106.199 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 49.0 t80 -139.48 141.74 37.36 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.233 0.924 . . . . 0.0 111.497 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.85 95.41 4.91 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 102.971 -2.974 . . . . 0.0 102.971 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.9 -29.68 67.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.551 1.14 . . . . 0.0 113.619 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.16 65.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.264 1.026 . . . . 0.0 113.288 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -125.84 -1.49 7.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.306 1.843 . . . . 0.0 111.265 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.286 90.5 mttt 61.62 22.2 12.74 Favored 'General case' 0 N--CA 1.435 -1.191 1 C-N-CA 132.838 4.455 . . . . 0.0 110.112 -179.699 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -74.64 122.76 23.7 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.325 2.25 . . . . 0.0 111.706 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.15 110.96 23.23 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.176 -3.638 . . . . 0.0 101.176 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -105.83 134.24 49.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.965 1.306 . . . . 0.0 111.217 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.64 134.41 63.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 126.007 1.723 . . . . 0.0 107.449 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -127.76 118.4 23.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.395 1.478 . . . . 0.0 107.352 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-N 118.49 0.586 . . . . 0.0 110.325 179.172 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.44 -173.07 43.49 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -87.98 143.66 26.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.052 1.341 . . . . 0.0 107.618 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -130.8 127.99 39.78 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -101.81 133.81 45.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.583 1.083 . . . . 0.0 110.646 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.92 109.54 15.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.312 1.845 . . . . 0.0 112.514 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 tt -122.63 127.57 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.278 2.231 . . . . 0.0 109.464 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.03 139.3 51.39 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.631 1.172 . . . . 0.0 108.032 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -125.76 64.76 1.19 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.38 162.76 49.51 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -64.69 -32.79 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.287 -0.537 . . . . 0.0 111.594 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -121.29 -16.38 7.92 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.63 138.33 52.13 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 124.408 1.083 . . . . 0.0 109.77 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -142.17 144.9 33.65 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.35 171.21 44.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -148.14 131.17 16.28 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.998 1.319 . . . . 0.0 109.35 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 t -136.41 174.6 10.44 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.53 0.732 . . . . 0.0 110.581 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -145.17 145.99 31.58 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.982 1.313 . . . . 0.0 107.604 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -152.7 166.43 32.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.314 1.446 . . . . 0.0 109.988 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -111.87 148.76 32.95 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.153 2.181 . . . . 0.0 108.837 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.58 144.53 35.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.127 0.971 . . . . 0.0 108.496 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.9 -43.23 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.461 0.704 . . . . 0.0 110.64 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -152.44 159.23 43.4 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 128.423 2.689 . . . . 0.0 105.854 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -21.39 33.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.294 1.038 . . . . 0.0 113.767 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.91 70.53 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.979 1.263 . . . . 0.0 111.945 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -78.25 -37.75 44.47 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.574 -0.704 . . . . 0.0 109.656 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.99 75.71 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.931 0.892 . . . . 0.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.89 -36.03 64.73 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.437 -0.789 . . . . 0.0 111.948 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.62 -49.53 18.2 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.582 0.753 . . . . 0.0 109.643 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.81 -33.21 44.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.085 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -56.53 -44.48 80.86 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.974 1.261 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -71.71 -48.85 44.4 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.269 0.94 . . . . 0.0 110.184 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -57.92 -50.8 72.12 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.611 0.764 . . . . 0.0 112.38 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -65.79 -53.99 32.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.743 1.217 . . . . 0.0 110.873 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.68 75.7 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.957 0.344 . . . . 0.0 110.894 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -56.89 -32.91 66.37 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.277 0.49 . . . . 0.0 111.889 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.89 -24.6 67.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.444 0.565 . . . . 0.0 111.503 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.88 1.44 43.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.381 2.273 . . . . 0.0 110.131 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.55 95.5 Favored Glycine 0 C--N 1.347 1.143 0 O-C-N 120.659 -1.276 . . . . 0.0 112.701 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.74 141.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 119.322 3.082 . . . . 0.0 119.322 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -139.73 87.81 2.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.33 2.652 . . . . 0.0 106.956 175.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.9 -172.53 33.38 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 120.704 1.593 . . . . 0.0 115.884 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.07 149.67 21.73 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.613 2.765 . . . . 0.0 110.801 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -111.46 134.22 53.19 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 m -125.09 156.68 37.89 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.21 2.604 . . . . 0.0 105.736 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.32 143.64 37.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.789 1.177 . . . . 0.0 112.444 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 96.2 4.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.802 2.441 . . . . 0.0 105.577 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.07 -27.86 67.33 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.77 66.55 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.613 0.765 . . . . 0.0 112.424 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.19 7.43 5.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.014 1.726 . . . . 0.0 110.674 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.265 46.5 mttt 52.27 31.85 9.95 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 130.095 3.358 . . . . 0.0 109.932 -177.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -76.19 116.35 16.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 128.376 2.671 . . . . 0.0 111.295 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.09 110.85 23.4 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 m -105.02 142.33 35.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.662 0.785 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.02 137.59 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 126.42 1.888 . . . . 0.0 106.011 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 p -128.0 107.58 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.145 1.378 . . . . 0.0 110.668 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.372 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 118.087 -0.958 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.78 -171.77 24.14 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 119.907 1.23 . . . . 0.0 111.845 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.39 141.7 30.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 104.332 -2.469 . . . . 0.0 104.332 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -129.48 128.24 42.48 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -101.08 131.47 46.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.388 0.995 . . . . 0.0 110.06 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.87 115.59 23.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.41 -1.431 . . . . 0.0 113.142 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -122.65 132.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.689 2.396 . . . . 0.0 110.075 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.58 136.28 53.95 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.547 1.139 . . . . 0.0 109.811 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -115.19 70.18 0.74 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.98 159.3 45.41 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -63.93 -40.42 96.43 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.742 1.217 . . . . 0.0 110.629 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -121.33 -17.15 7.72 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -128.81 139.27 52.25 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.36 0.982 . . . . 0.0 109.58 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -142.54 161.43 38.08 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.335 0.654 . . . . 0.0 110.928 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.01 32.68 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.96 136.55 30.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -143.51 173.36 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 118.729 0.695 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -145.39 141.23 28.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -149.76 167.54 26.2 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 108.741 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -124.95 149.15 47.96 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.257 1.823 . . . . 0.0 108.3 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.77 39.52 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.705 1.139 . . . . 0.0 111.293 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.62 -45.95 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.274 1.029 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -147.71 158.79 44.18 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 127.308 2.243 . . . . 0.0 106.124 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -19.73 56.95 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.371 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.73 66.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.187 1.812 . . . . 0.0 110.905 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 m -65.48 -36.72 84.73 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.117 0.967 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.87 68.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.014 0.526 . . . . 0.0 109.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.11 -34.56 60.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.386 1.074 . . . . 0.0 111.048 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.67 -51.24 14.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.638 1.175 . . . . 0.0 108.754 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.61 49.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.154 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -56.34 -45.68 80.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.105 1.321 . . . . 0.0 111.928 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -75.21 -44.77 44.51 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 118.519 0.6 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -57.78 -50.45 73.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.389 0.676 . . . . 0.0 110.888 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -67.06 -54.79 18.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.754 0.821 . . . . 0.0 111.879 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.89 71.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 119.303 -0.38 . . . . 0.0 111.508 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.97 -29.25 59.95 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.263 0.625 . . . . 0.0 111.63 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.64 -24.71 67.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.091 0.86 . . . . 0.0 111.385 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -83.69 3.95 30.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.362 1.465 . . . . 0.0 108.803 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.13 38.66 96.5 Favored Glycine 0 C--N 1.343 0.955 0 O-C-N 120.603 -1.311 . . . . 0.0 111.293 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.56 142.96 13.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -139.3 106.44 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.166 3.387 . . . . 0.0 104.56 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.89 176.93 41.15 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.911 2.141 . . . . 0.0 114.075 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -85.54 149.28 25.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 128.551 2.74 . . . . 0.0 110.917 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -111.62 146.58 37.18 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.896 1.279 . . . . 0.0 113.65 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.1 m -136.63 156.49 48.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.846 2.459 . . . . 0.0 106.429 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 62.0 t80 -139.23 141.78 37.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.498 1.045 . . . . 0.0 112.641 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.88 97.08 4.69 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 129.471 3.108 . . . . 0.0 108.018 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.2 -24.45 59.13 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.47 69.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.742 1.155 . . . . 0.0 112.87 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.56 9.48 6.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.332 1.853 . . . . 0.0 110.245 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 68.9 mttt 52.35 33.95 13.96 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 130.776 3.63 . . . . 0.0 109.296 -178.429 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -75.02 115.34 14.54 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 129.187 2.995 . . . . 0.0 111.613 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.11 131.12 53.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 102.109 -3.293 . . . . 0.0 102.109 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.0 m -128.29 142.68 51.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.996 0.918 . . . . 0.0 110.459 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.37 138.59 53.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 126.987 2.115 . . . . 0.0 108.329 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.1 p -126.98 109.39 11.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.944 1.698 . . . . 0.0 109.707 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.981 0.913 . . . . 0.0 109.57 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.47 -167.77 28.63 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -107.02 143.87 34.49 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.621 0.768 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -133.6 137.65 45.57 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.909 1.683 . . . . 0.0 106.937 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -101.07 135.87 41.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.794 0.724 . . . . 0.0 110.408 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 31' ' ' PHE . 22.3 mt -121.23 109.04 14.48 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.194 1.398 . . . . 0.0 112.113 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tt -123.46 131.85 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 127.773 2.429 . . . . 0.0 110.38 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.05 140.82 49.41 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.943 2.097 . . . . 0.0 111.825 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -126.48 107.64 10.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.615 1.566 . . . . 0.0 109.906 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.7 -175.28 19.95 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.103 1.335 . . . . 0.0 111.812 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.66 -50.21 39.16 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.654 -0.91 . . . . 0.0 110.647 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.258 10.6 t -123.73 3.25 8.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.78 1.232 . . . . 0.0 113.032 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -128.3 145.0 51.19 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.504 1.047 . . . . 0.0 110.857 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -142.5 165.74 26.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.875 1.67 . . . . 0.0 109.073 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.3 156.96 25.4 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.73 127.68 4.83 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.268 1.027 . . . . 0.0 108.405 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -147.75 -178.44 6.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.911 0.863 . . . . 0.0 108.78 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 162.01 33.17 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 p -144.78 153.2 41.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 108.9 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.33 120.45 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 101.727 -3.434 . . . . 0.0 101.727 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.62 156.01 47.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.074 0.852 . . . . 0.0 111.464 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.02 -45.61 95.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 124.499 1.12 . . . . 0.0 110.55 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -149.42 159.94 43.86 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.36 1.464 . . . . 0.0 109.354 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.17 66.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.714 -0.66 . . . . 0.0 112.564 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -32.88 74.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.49 1.496 . . . . 0.0 110.059 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -73.2 -38.13 66.21 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.338 1.055 . . . . 0.0 109.544 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.39 78.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.104 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -53.81 -34.79 60.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.613 1.165 . . . . 0.0 111.139 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -76.85 -52.7 9.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.06 1.344 . . . . 0.0 109.851 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -33.06 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.618 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 6' ' ' LEU . 15.9 m-30 -55.61 -40.98 72.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.218 1.372 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -71.25 -34.76 71.04 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.033 0.933 . . . . 0.0 112.062 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -51.0 10.55 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 118.646 0.657 . . . . 0.0 110.022 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -54.18 -55.22 30.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.779 1.632 . . . . 0.0 113.118 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -68.5 -34.32 75.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -57.47 -30.85 65.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.276 0.489 . . . . 0.0 111.453 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.99 -25.88 67.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.857 0.753 . . . . 0.0 111.084 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -84.55 0.26 50.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.924 2.09 . . . . 0.0 109.807 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.32 93.6 Favored Glycine 0 C--N 1.343 0.964 0 C-N-CA 125.937 1.732 . . . . 0.0 113.015 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 ' HB1' ' A' ' 35' ' ' ALA . 16.1 m -85.31 141.36 14.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 118.941 1.37 . . . . 0.0 113.909 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -139.57 65.61 1.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.77 -174.3 17.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.07 148.99 26.52 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 130.498 3.519 . . . . 0.0 111.313 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -113.43 145.97 40.3 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.71 154.57 45.39 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.456 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 67.4 t80 -135.89 137.48 41.46 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.436 0.695 . . . . 0.0 111.61 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.79 108.39 10.69 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.047 1.739 . . . . 0.0 107.667 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.55 -10.77 8.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.815 2.046 . . . . 0.0 115.939 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.59 72.06 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 120.068 1.304 . . . . 0.0 112.085 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 -6.41 5.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.274 1.83 . . . . 0.0 109.593 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 73.3 mttt 73.24 38.81 0.65 Allowed 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 129.879 3.272 . . . . 0.0 105.418 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -87.6 129.06 35.24 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 125.361 1.464 . . . . 0.0 112.434 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.43 ' HB2' HD23 ' A' ' 6' ' ' LEU . 78.2 m-85 -103.94 136.16 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -134.54 142.34 46.96 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.148 0.28 . . . . 0.0 110.696 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.86 136.52 60.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 126.214 1.806 . . . . 0.0 106.654 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -128.37 105.21 8.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.609 1.164 . . . . 0.0 108.419 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.64 46.74 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -95.78 143.66 26.82 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -135.52 128.27 31.03 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -102.23 130.67 48.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.464 1.029 . . . . 0.0 109.836 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.53 112.54 18.15 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.83 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.96 131.5 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 128.237 2.615 . . . . 0.0 107.774 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.95 139.45 51.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.32 1.448 . . . . 0.0 109.094 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -125.02 86.9 2.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.056 0.942 . . . . 0.0 109.175 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.05 176.51 49.46 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.134 -1.587 . . . . 0.0 109.134 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -62.66 -50.93 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.05 -1.265 . . . . 0.0 110.978 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.275 4.2 t -123.25 4.12 9.18 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.175 0.99 . . . . 0.0 113.401 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.29 147.67 50.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.855 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -142.31 148.16 37.53 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.62 149.8 16.05 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.92 163.21 38.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 117.777 0.789 . . . . 0.0 111.322 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -156.92 170.64 22.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.788 0.804 . . . . 0.0 108.971 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -142.5 140.02 31.71 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -147.35 166.12 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -128.08 114.18 16.72 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 103.52 -2.771 . . . . 0.0 103.52 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.55 148.32 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.24 1.016 . . . . 0.0 111.748 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.76 -45.96 94.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.84 1.256 . . . . 0.0 110.731 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -141.56 158.98 43.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.709 1.604 . . . . 0.0 107.223 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.66 65.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.43 67.26 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.684 1.583 . . . . 0.0 108.801 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -65.04 -41.53 95.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.96 94.84 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -54.21 -41.27 68.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.383 1.073 . . . . 0.0 109.875 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.67 -52.82 40.48 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.397 -0.815 . . . . 0.0 111.259 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.63 -33.0 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.124 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -56.19 -40.66 74.31 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 110.109 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -49.59 14.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 120.187 1.358 . . . . 0.0 111.701 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -52.38 64.07 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.34 -52.16 62.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.231 1.378 . . . . 0.0 112.515 -177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.39 93.9 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.375 0.67 . . . . 0.0 110.361 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.32 -36.96 85.65 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.804 0.729 . . . . 0.0 110.588 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.82 -24.65 65.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.801 0.84 . . . . 0.0 109.721 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -83.55 -3.08 57.34 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.367 2.267 . . . . 0.0 109.694 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.86 38.9 56.05 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.024 1.774 . . . . 0.0 116.135 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 m -81.16 140.52 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.654 1.727 . . . . 0.0 112.279 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 66.01 1.43 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.77 -163.82 11.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.14 -0.975 . . . . 0.0 114.593 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.42 149.54 30.12 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.728 2.011 . . . . 0.0 110.425 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -101.15 136.14 41.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.103 1.761 . . . . 0.0 114.899 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.6 p -120.78 162.1 20.33 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.613 2.365 . . . . 0.0 107.922 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -139.78 140.67 36.74 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -129.28 96.75 4.38 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 107.209 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.95 -22.64 64.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.6 -26.67 61.86 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.864 0.866 . . . . 0.0 113.13 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -17.54 4.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.224 1.81 . . . . 0.0 110.296 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mttm 74.27 33.57 0.89 Allowed 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 131.381 3.872 . . . . 0.0 104.907 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 m -76.65 135.79 39.14 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.394 1.477 . . . . 0.0 108.939 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.95 110.9 16.84 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 101.824 -3.398 . . . . 0.0 101.824 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 m -111.39 141.76 44.52 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -129.94 136.49 58.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 125.777 1.631 . . . . 0.0 106.848 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -128.11 116.28 19.73 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.85 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.48 -164.22 20.46 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 119.373 0.988 . . . . 0.0 112.921 171.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -97.48 139.19 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.674 1.59 . . . . 0.0 109.97 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.95 137.84 54.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.197 0.999 . . . . 0.0 111.763 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -102.59 154.59 18.98 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 144.75 30.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.792 1.237 . . . . 0.0 109.666 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -152.9 133.09 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.281 1.432 . . . . 0.0 109.522 163.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.822 HD23 HD22 ' A' ' 38' ' ' ASN . 0.9 OUTLIER -97.08 143.01 28.32 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.936 1.294 . . . . 0.0 109.733 170.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.59 114.39 18.02 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.252 1.421 . . . . 0.0 110.247 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.49 -178.18 16.47 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.142 0.877 . . . . 0.0 112.981 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.94 -54.63 32.09 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -135.44 34.22 3.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.742 1.617 . . . . 0.0 109.955 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -138.05 145.88 42.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.847 1.259 . . . . 0.0 109.691 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -166.37 160.47 15.72 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.97 145.88 4.22 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.043 0.83 . . . . 0.0 112.913 173.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.66 162.35 27.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.834 1.654 . . . . 0.0 108.325 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 t -166.09 171.56 12.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 127.185 2.194 . . . . 0.0 110.348 -173.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -137.75 154.45 49.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.932 1.693 . . . . 0.0 109.969 171.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -134.71 168.51 18.88 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.703 1.601 . . . . 0.0 109.987 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -134.19 129.56 35.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.883 1.673 . . . . 0.0 108.685 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.11 147.01 49.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.166 1.386 . . . . 0.0 110.709 -170.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -80.46 -32.61 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.948 1.699 . . . . 0.0 108.98 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -138.39 155.15 48.78 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.632 1.973 . . . . 0.0 109.549 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -14.91 63.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.108 1.363 . . . . 0.0 110.529 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.59 84.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.162 1.385 . . . . 0.0 110.625 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 m -65.7 -54.76 23.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.679 1.591 . . . . 0.0 109.987 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.72 7.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.161 1.384 . . . . 0.0 110.64 166.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 36.0 tt0 -62.11 -31.53 72.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.904 1.681 . . . . 0.0 108.636 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.33 -42.38 75.4 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.18 -46.67 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.781 1.632 . . . . 0.0 109.006 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -48.03 -46.98 33.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 110.804 -170.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.29 -42.57 68.53 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.2 -54.78 7.03 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.317 1.047 . . . . 0.0 108.869 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' HD21 ' A' ' 8' ' ' LEU . 20.9 t80 -57.87 -45.13 86.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.21 1.004 . . . . 0.0 111.838 -168.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.61 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.173 1.389 . . . . 0.0 110.531 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.11 -24.93 60.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.288 1.435 . . . . 0.0 110.233 173.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.56 -28.22 56.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.667 1.987 . . . . 0.0 109.516 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.822 HD22 HD23 ' A' ' 8' ' ' LEU . 4.3 t-20 -92.05 -7.25 49.3 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.315 1.446 . . . . 0.0 110.301 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.07 74.93 1.03 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.057 0.836 . . . . 0.0 113.034 167.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m -122.06 147.38 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.83 1.652 . . . . 0.0 109.012 -170.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -149.43 57.48 1.0 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.553 1.941 . . . . 0.0 109.489 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.02 -132.86 3.56 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.209 0.909 . . . . 0.0 112.973 -170.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.61 144.01 17.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.017 1.727 . . . . 0.0 108.717 -168.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -112.17 124.67 52.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.391 1.076 . . . . 0.0 111.599 -161.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -130.42 159.98 35.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.717 1.607 . . . . 0.0 109.866 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.21 140.1 39.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.21 1.004 . . . . 0.0 111.783 -161.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -128.29 113.72 16.0 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.719 2.007 . . . . 0.0 109.542 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -80.29 14.92 1.74 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.594 1.958 . . . . 0.0 109.613 -163.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.62 -51.6 6.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.165 1.386 . . . . 0.0 110.597 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.0 t -116.72 14.94 15.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.677 1.591 . . . . 0.0 109.853 166.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 52.51 48.57 22.29 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -78.51 136.16 37.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.699 1.6 . . . . 0.0 109.963 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -101.97 108.81 20.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.673 1.189 . . . . 0.0 110.895 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -86.97 128.91 35.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.736 1.614 . . . . 0.0 109.909 176.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.83 120.15 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.915 1.686 . . . . 0.0 109.111 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.4 m -116.3 119.91 37.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.779 1.632 . . . . 0.0 109.929 168.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.257 1.471 0 C-N-CA 128.643 2.777 . . . . 0.0 108.698 171.11 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.65 -128.24 0.94 Allowed Glycine 0 CA--C 1.526 0.771 0 CA-C-N 119.408 1.004 . . . . 0.0 113.057 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.6 135.65 51.51 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.865 1.666 . . . . 0.0 110.018 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -110.71 123.91 50.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.278 1.031 . . . . 0.0 111.76 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -88.79 149.19 23.54 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 169.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.39 37.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.899 1.28 . . . . 0.0 109.712 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -151.83 137.27 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.322 1.449 . . . . 0.0 109.52 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 34' ' ' TYR . 1.3 mm? -104.67 150.5 24.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.862 1.265 . . . . 0.0 109.708 171.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -131.95 98.52 4.47 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.285 1.434 . . . . 0.0 110.23 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.98 178.63 18.83 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.041 0.829 . . . . 0.0 113.022 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -60.14 -55.84 28.89 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.94 23.07 10.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.676 1.591 . . . . 0.0 109.882 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.9 134.61 31.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.902 1.281 . . . . 0.0 109.634 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -155.46 -178.02 6.97 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.91 153.44 6.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.132 0.872 . . . . 0.0 113.017 174.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -134.86 151.9 51.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.979 1.712 . . . . 0.0 108.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -163.88 176.27 9.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.853 1.661 . . . . 0.0 110.015 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -146.91 151.64 37.38 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.792 1.637 . . . . 0.0 109.926 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -145.58 156.12 43.48 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.763 1.625 . . . . 0.0 110.013 -165.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -123.25 144.27 49.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.027 1.731 . . . . 0.0 108.752 171.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 26' ' ' THR . . . -150.94 141.43 22.51 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.105 1.362 . . . . 0.0 110.576 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.17 -39.78 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.88 1.672 . . . . 0.0 108.998 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -129.24 160.37 33.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.656 1.982 . . . . 0.0 109.592 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.26 -31.4 72.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.074 1.349 . . . . 0.0 110.634 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.7 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.128 1.371 . . . . 0.0 110.71 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.468 ' HB ' ' HB1' ' A' ' 21' ' ' ALA . 28.2 m -48.82 -58.69 4.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.725 1.61 . . . . 0.0 109.908 171.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' ' CZ ' ' A' ' 31' ' ' PHE . . . -54.59 -59.54 4.56 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.172 1.389 . . . . 0.0 110.639 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 52.2 tt0 -51.79 -40.3 60.15 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.908 1.683 . . . . 0.0 108.69 -171.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -67.37 -31.39 71.59 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.57 -42.24 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.95 1.7 . . . . 0.0 109.023 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CZ ' ' HB1' ' A' ' 27' ' ' ALA . 17.9 m-30 -56.45 -43.22 79.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.741 1.216 . . . . 0.0 110.861 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -79.28 -20.43 48.05 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.82 -56.16 3.99 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.348 1.059 . . . . 0.0 108.841 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CE1' HD21 ' A' ' 8' ' ' LEU . 17.2 t80 -59.66 -39.55 84.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.188 0.995 . . . . 0.0 111.857 -164.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.59 20.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.182 1.393 . . . . 0.0 110.651 -172.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -61.33 -26.93 68.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.276 1.43 . . . . 0.0 110.327 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.15 -31.4 64.23 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.668 1.987 . . . . 0.0 109.574 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -74.62 -33.36 62.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.386 1.474 . . . . 0.0 110.27 169.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.84 91.4 1.05 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.127 0.87 . . . . 0.0 113.138 -170.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.43 149.51 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.851 1.661 . . . . 0.0 108.961 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.05 52.69 1.02 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.621 1.968 . . . . 0.0 109.589 172.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.05 -136.66 5.26 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.166 0.889 . . . . 0.0 113.054 -170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 142.12 21.85 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.938 1.695 . . . . 0.0 108.703 -172.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -108.97 131.79 54.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.385 1.074 . . . . 0.0 111.683 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 p -123.62 142.97 50.53 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.74 1.616 . . . . 0.0 109.904 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -114.53 133.48 55.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.244 1.017 . . . . 0.0 111.784 -170.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.21 110.38 15.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.7 2.0 . . . . 0.0 109.561 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.21 -16.34 61.42 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.649 1.979 . . . . 0.0 109.596 -170.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.58 -54.4 11.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.061 1.344 . . . . 0.0 110.693 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -128.36 29.53 5.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.756 1.622 . . . . 0.0 110.026 174.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mttm 39.09 49.38 1.64 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -93.46 122.44 35.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.789 1.636 . . . . 0.0 109.975 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -90.47 120.44 31.57 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.766 1.226 . . . . 0.0 110.851 168.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.06 129.03 54.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.766 1.626 . . . . 0.0 109.945 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.68 140.2 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.927 1.691 . . . . 0.0 108.973 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.6 m -141.82 126.74 18.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.714 1.605 . . . . 0.0 109.93 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.258 1.5 0 C-N-CA 128.79 2.836 . . . . 0.0 108.678 -178.401 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.82 -174.65 45.82 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -102.14 139.67 37.44 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 60.3 m-85 -131.64 131.0 42.82 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.788 1.235 . . . . 0.0 109.979 -177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -100.93 128.06 47.13 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.401 1.455 . . . . 0.0 110.975 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -121.92 115.11 21.98 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.481 1.912 . . . . 0.0 113.7 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 tt -122.07 131.33 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 128.079 2.552 . . . . 0.0 111.007 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.36 140.4 48.69 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.833 2.053 . . . . 0.0 109.112 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.79 73.84 1.49 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.947 1.299 . . . . 0.0 113.403 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.34 169.21 51.85 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -54.81 -46.31 74.49 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.345 -1.091 . . . . 0.0 110.273 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -122.09 14.82 10.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.21 1.404 . . . . 0.0 112.492 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.2 146.89 51.02 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 120.37 1.441 . . . . 0.0 110.761 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -143.08 162.99 34.07 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.108 1.363 . . . . 0.0 110.11 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.27 151.86 7.5 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 126.044 1.783 . . . . 0.0 109.899 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.31 138.55 26.45 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.27 17.6 m -145.32 163.72 33.67 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.122 -0.986 . . . . 0.0 110.5 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.98 140.38 40.17 Favored 'General case' 0 C--O 1.245 0.827 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 p -137.65 164.0 29.88 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.713 1.205 . . . . 0.0 109.372 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.56 146.72 50.76 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.48 144.38 29.61 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.554 0.616 . . . . 0.0 110.32 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -63.5 -45.9 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 124.747 1.219 . . . . 0.0 109.336 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -140.57 157.62 45.2 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -18.98 65.68 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -46.14 77.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 120.819 1.645 . . . . 0.0 111.88 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 m -65.17 -32.97 74.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.092 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -50.35 69.04 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.26 -40.36 93.81 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.64 0.654 . . . . 0.0 110.452 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -61.71 -52.59 63.66 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.29 0.636 . . . . 0.0 110.319 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.7 -33.58 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-O 116.547 -1.692 . . . . 0.0 110.01 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -56.41 -44.39 80.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 120.904 1.684 . . . . 0.0 113.045 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.21 -49.97 67.69 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 120.286 1.403 . . . . 0.0 110.661 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -49.13 72.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.769 0.713 . . . . 0.0 111.936 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.24 -54.8 30.82 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 124.815 1.246 . . . . 0.0 111.314 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.02 69.12 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.803 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.86 -29.95 67.35 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.15 -15.68 63.47 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.619 0.768 . . . . 0.0 110.459 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -92.18 14.8 15.09 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.839 2.456 . . . . 0.0 109.959 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.2 39.88 95.09 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 127.506 2.479 . . . . 0.0 115.469 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 m -95.39 139.04 19.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 119.195 3.035 . . . . 0.0 119.195 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -140.59 101.26 4.05 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 100.573 -3.862 . . . . 0.0 100.573 174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -172.88 -168.86 34.74 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-N 121.876 2.126 . . . . 0.0 114.934 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -104.94 149.49 25.68 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.193 1.797 . . . . 0.0 111.45 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -110.85 132.18 54.42 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.533 1.933 . . . . 0.0 114.892 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.1 p -116.56 163.91 15.37 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 127.159 2.184 . . . . 0.0 107.726 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 48.1 t80 -139.78 140.56 36.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.11 96.94 4.61 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.934 2.493 . . . . 0.0 106.224 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.24 -22.73 63.39 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -40.65 77.51 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 121.35 -0.844 . . . . 0.0 113.201 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.87 13.48 7.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 127.39 2.276 . . . . 0.0 110.612 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 4' ' ' TYR . 58.7 mttt 46.05 42.52 9.67 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 129.398 3.079 . . . . 0.0 107.951 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -79.59 116.02 19.55 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 125.447 1.499 . . . . 0.0 111.109 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -105.04 110.79 23.32 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 102.302 -3.221 . . . . 0.0 102.302 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 m -109.7 142.61 40.64 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.363 1.065 . . . . 0.0 108.827 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.8 t -129.02 137.02 58.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.9 m -127.85 117.5 21.94 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.774 1.23 . . . . 0.0 107.812 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 C--O 1.245 0.856 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.486 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 116.718 -1.61 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.8 175.46 40.75 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 121.826 2.103 . . . . 0.0 112.496 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -92.79 144.41 25.32 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -138.12 135.02 35.35 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -100.81 137.8 38.71 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 109.599 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -121.28 109.42 14.91 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.225 1.41 . . . . 0.0 114.549 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -123.51 129.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 126.166 1.786 . . . . 0.0 109.337 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.6 138.94 52.23 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.822 2.049 . . . . 0.0 107.271 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -126.52 118.94 25.93 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 124.393 1.077 . . . . 0.0 109.441 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.69 170.47 13.28 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.987 1.756 . . . . 0.0 109.482 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -55.66 -50.5 70.07 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.203 -0.586 . . . . 0.0 111.466 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -123.69 3.51 8.9 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 mp -127.88 152.24 48.09 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 119.791 1.178 . . . . 0.0 109.813 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -142.83 164.94 28.72 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.121 0.968 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.93 128.98 1.99 Allowed Glycine 0 C--O 1.226 -0.345 0 N-CA-C 107.213 -2.355 . . . . 0.0 107.213 178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -135.6 126.71 27.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.243 1.521 . . . . 0.0 107.777 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 t -151.38 -178.3 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.72 . . . . 0.0 110.745 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -130.34 157.54 42.27 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.192 1.797 . . . . 0.0 106.212 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 p -149.68 159.29 44.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.508 1.123 . . . . 0.0 109.046 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -130.18 148.9 52.07 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.68 144.44 35.65 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.573 -0.704 . . . . 0.0 110.297 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -65.58 -39.47 85.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -140.93 157.65 45.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.716 2.406 . . . . 0.0 106.314 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -19.42 62.07 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.31 70.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.224 0.92 . . . . 0.0 112.541 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -27.7 67.98 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.988 0.813 . . . . 0.0 112.671 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -40.93 80.28 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.45 -30.93 67.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.566 0.747 . . . . 0.0 111.289 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -73.82 -49.03 27.13 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.472 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.44 -34.86 59.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 123.567 0.747 . . . . 0.0 109.788 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -53.7 -44.53 69.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-N 119.184 0.902 . . . . 0.0 110.957 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -74.65 -48.03 28.58 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.17 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -59.56 -51.64 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -72.39 -48.13 43.93 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.793 -0.567 . . . . 0.0 110.775 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.33 73.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.648 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -61.65 -29.26 69.95 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.745 1.157 . . . . 0.0 111.095 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -64.36 -25.09 67.88 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.509 0.724 . . . . 0.0 109.905 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -84.45 -4.69 59.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.479 1.511 . . . . 0.0 110.871 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.54 94.13 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 119.702 1.137 . . . . 0.0 111.403 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.01 142.94 13.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -139.06 90.87 2.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 126.545 1.938 . . . . 0.0 105.917 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.82 -172.26 36.93 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 121.552 1.978 . . . . 0.0 115.793 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -94.23 149.0 21.64 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 129.243 3.017 . . . . 0.0 110.726 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -111.26 131.16 55.36 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.006 0.922 . . . . 0.0 113.416 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -130.39 156.29 44.98 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 7.9 t80 -139.87 146.76 39.73 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -129.7 121.14 26.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.581 1.552 . . . . 0.0 109.744 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.89 -14.79 62.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.1 -38.04 70.2 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.687 1.13 . . . . 0.0 112.062 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -1.83 6.1 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.919 178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 63.0 mttm 67.78 35.02 4.1 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 130.071 3.348 . . . . 0.0 104.863 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -77.27 145.7 37.32 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.588 2.355 . . . . 0.0 111.591 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -121.53 131.52 54.19 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 129.198 2.999 . . . . 0.0 102.965 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 p -126.55 135.99 51.99 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.899 1.68 . . . . 0.0 110.95 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.0 t -130.21 132.25 65.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 125.686 1.595 . . . . 0.0 107.481 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -127.87 104.67 7.95 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.381 0.672 . . . . 0.0 109.379 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.243 0.718 0 C-N-CA 125.659 1.584 . . . . 0.0 107.687 178.368 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 118.226 -0.892 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.84 179.41 47.24 Favored Glycine 0 C--N 1.34 0.799 0 C-N-CA 120.009 -1.091 . . . . 0.0 114.131 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -70.3 145.64 51.12 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.774 2.03 . . . . 0.0 109.793 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -138.4 126.49 22.74 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 104.667 -2.346 . . . . 0.0 104.667 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -102.26 126.6 49.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -120.34 115.32 23.32 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 125.191 1.397 . . . . 0.0 113.168 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.4 tt -122.58 132.58 70.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 127.936 2.494 . . . . 0.0 109.247 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.21 132.06 56.34 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.184 2.194 . . . . 0.0 105.25 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -126.25 71.81 1.28 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.816 1.246 . . . . 0.0 110.177 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.54 174.19 50.78 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.36 -48.8 74.13 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 121.431 -1.041 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.5 p -121.7 4.0 10.07 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.0 mt -128.11 141.64 51.43 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 124.671 1.188 . . . . 0.0 108.126 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -143.17 150.8 39.9 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.32 148.03 11.68 Favored Glycine 0 C--O 1.23 -0.138 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -147.14 146.26 29.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.388 1.094 . . . . 0.0 110.347 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -156.76 171.93 19.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.618 0.723 . . . . 0.0 111.095 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 t -141.57 151.65 43.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 128.148 2.579 . . . . 0.0 105.026 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -166.77 166.95 15.47 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -124.4 127.26 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.3 145.4 44.01 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 122.195 0.998 . . . . 0.0 112.061 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.78 -31.97 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.483 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -154.09 159.34 41.46 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.875 0.761 . . . . 0.0 110.218 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -34.3 75.35 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.668 0.787 . . . . 0.0 109.607 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.8 -33.03 74.36 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 110.342 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -70.2 -43.76 70.06 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.79 -50.05 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.991 0.916 . . . . 0.0 108.804 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.67 -34.59 59.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.732 2.013 . . . . 0.0 111.642 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -72.91 -47.97 41.16 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.888 -0.508 . . . . 0.0 111.017 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -64.47 -32.47 57.87 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.019 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -55.15 -44.03 74.78 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.28 0.945 . . . . 0.0 110.743 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -66.05 -49.87 66.14 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 119.571 1.078 . . . . 0.0 112.247 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -50.61 55.33 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 118.49 -0.766 . . . . 0.0 112.988 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -61.82 -41.17 97.44 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 119.201 0.909 . . . . 0.0 111.116 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.79 66.53 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 121.702 -0.624 . . . . 0.0 109.746 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -62.6 -33.96 76.04 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.292 0.951 . . . . 0.0 110.989 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -64.81 -24.75 67.65 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.12 0.968 . . . . 0.0 109.571 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -83.49 0.59 45.7 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.693 1.997 . . . . 0.0 109.883 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.25 36.06 92.35 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.753 1.644 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.94 141.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -139.44 65.42 1.44 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.68 -173.3 15.08 Favored Glycine 0 C--N 1.345 1.035 0 N-CA-C 114.849 0.7 . . . . 0.0 114.849 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -99.93 150.41 22.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 129.49 3.116 . . . . 0.0 111.031 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -109.7 129.64 55.59 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 p -119.44 164.72 15.34 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.157 1.783 . . . . 0.0 107.373 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -138.34 143.32 39.85 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.54 97.62 4.76 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 128.656 2.782 . . . . 0.0 106.918 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.76 -10.86 40.97 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.85 -39.64 74.65 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.26 1.024 . . . . 0.0 111.08 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.2 -10.46 5.86 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.426 1.49 . . . . 0.0 110.027 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.284 48.0 mttm 81.76 36.86 0.07 Allowed 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 130.77 3.628 . . . . 0.0 107.714 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -75.43 116.04 15.73 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 129.258 3.023 . . . . 0.0 110.878 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.43 125.56 50.74 Favored 'General case' 0 N--CA 1.446 -0.666 1 N-CA-C 99.633 -4.21 . . . . 0.0 99.633 175.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -126.23 138.55 53.64 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.78 131.37 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 125.597 1.559 . . . . 0.0 109.664 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.2 m -128.28 122.7 32.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.246 0.889 0 N-CA-C 105.839 -1.912 . . . . 0.0 105.839 178.428 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.28 177.48 48.29 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 120.059 1.299 . . . . 0.0 112.37 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 10.1 t -89.96 144.84 25.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -131.83 132.08 43.4 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -101.13 133.93 44.92 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.2 mt -120.2 109.38 15.35 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 126.26 1.824 . . . . 0.0 112.643 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tt -123.37 131.53 72.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 127.507 2.323 . . . . 0.0 109.186 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.39 133.08 56.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.469 1.908 . . . . 0.0 108.653 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -123.49 95.78 4.72 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.513 1.525 . . . . 0.0 107.562 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.02 176.05 29.11 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.566 1.079 . . . . 0.0 110.537 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -62.63 -49.13 76.41 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.961 0.904 . . . . 0.0 111.32 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.9 1.21 9.29 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.83 1.252 . . . . 0.0 113.787 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 mt -128.44 134.0 48.66 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.615 1.166 . . . . 0.0 110.472 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -142.03 134.32 27.83 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -162.74 157.22 29.18 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -149.42 158.72 44.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.537 0.669 . . . . 0.0 111.518 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 t -155.04 172.04 18.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -144.37 142.7 30.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -155.07 167.44 30.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 25.4 tt0 -116.34 143.81 45.07 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.434 1.094 . . . . 0.0 109.115 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.93 144.4 43.42 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.918 0.887 . . . . 0.0 112.275 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.72 -31.1 44.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.752 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -150.08 157.96 43.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -22.9 58.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 117.809 -1.091 . . . . 0.0 111.921 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.91 71.09 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 120.799 1.636 . . . . 0.0 109.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.8 m -70.65 -41.09 72.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.8 73.84 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.28 1.032 . . . . 0.0 108.868 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.67 -41.02 66.43 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.015 1.326 . . . . 0.0 110.23 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -67.65 -48.28 67.12 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 121.962 -0.461 . . . . 0.0 111.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.71 -33.75 65.74 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.113 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -56.18 -43.92 78.89 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.7 1.136 . . . . 0.0 111.215 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -65.62 -49.97 66.78 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.6 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.8 -51.57 61.48 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.602 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -57.17 -53.34 59.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.297 1.039 . . . . 0.0 112.966 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -65.27 -43.91 89.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.297 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -63.16 -33.52 75.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.213 0.915 . . . . 0.0 111.768 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.715 1.206 . . . . 0.0 109.777 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.75 -0.98 57.87 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 128.368 2.667 . . . . 0.0 110.001 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.94 35.65 79.64 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.204 1.859 . . . . 0.0 115.377 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.5 m -83.56 144.07 10.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -138.73 84.39 2.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.18 -177.85 38.53 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-N 120.291 1.405 . . . . 0.0 115.845 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -96.53 147.99 23.29 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 129.494 3.118 . . . . 0.0 111.118 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -112.26 132.67 54.81 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 118.209 2.67 . . . . 0.0 118.209 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 p -121.68 160.94 23.42 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.047 2.539 . . . . 0.0 106.97 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 63.6 t80 -139.25 144.48 38.44 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.449 1.022 . . . . 0.0 112.455 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.35 106.9 9.33 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.52 -12.45 15.28 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -47.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.155 1.382 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.361 0.5 OUTLIER -127.55 6.43 6.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.934 0.894 . . . . 0.0 110.402 178.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.273 63.4 mttm 64.27 32.71 12.14 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 131.119 3.768 . . . . 0.0 109.011 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -73.4 124.58 26.05 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 129.362 3.065 . . . . 0.0 112.52 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -107.62 111.12 23.19 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 102.112 -3.292 . . . . 0.0 102.112 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -105.61 135.16 47.53 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.48 132.65 66.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 125.535 1.534 . . . . 0.0 107.164 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 m -128.46 104.5 7.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 125.598 1.559 . . . . 0.0 108.221 178.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 tpp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 117.8 -1.095 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.21 -169.96 12.04 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-N 119.421 1.009 . . . . 0.0 113.055 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -115.42 142.37 46.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.778 1.631 . . . . 0.0 109.891 168.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -133.22 119.3 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.336 1.054 . . . . 0.0 111.77 -169.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -83.29 152.54 25.09 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -143.56 138.87 29.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.976 1.31 . . . . 0.0 109.764 -177.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tt -149.92 120.71 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.348 1.459 . . . . 0.0 109.608 168.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.601 HD23 HD22 ' A' ' 38' ' ' ASN . 2.1 mm? -86.87 164.44 16.61 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.918 1.287 . . . . 0.0 109.622 -176.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -126.44 122.13 34.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.307 1.443 . . . . 0.0 110.276 162.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.66 156.0 23.95 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 124.092 0.853 . . . . 0.0 113.032 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -45.91 -63.79 0.89 Allowed 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 p -98.05 -34.61 10.72 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.736 1.615 . . . . 0.0 110.022 -171.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -125.72 141.41 52.02 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.892 1.277 . . . . 0.0 109.668 -160.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -127.49 -179.34 4.86 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 174.65 154.35 10.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.015 0.817 . . . . 0.0 112.935 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.93 154.35 49.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.866 1.667 . . . . 0.0 108.643 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -168.05 175.03 6.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.601 1.56 . . . . 0.0 109.825 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -131.68 164.24 26.37 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.912 1.685 . . . . 0.0 109.951 168.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 p -135.04 162.69 31.74 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.658 1.583 . . . . 0.0 109.899 174.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -134.86 120.57 19.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.956 1.702 . . . . 0.0 108.69 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.29 147.77 42.27 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.218 1.407 . . . . 0.0 110.661 -162.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 m -84.89 -24.07 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.842 1.657 . . . . 0.0 108.952 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -146.51 162.02 39.22 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.593 1.957 . . . . 0.0 109.534 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.06 -19.57 59.93 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.302 1.441 . . . . 0.0 110.717 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.12 -32.84 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.148 1.379 . . . . 0.0 110.659 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -61.46 -52.1 65.93 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.664 1.586 . . . . 0.0 109.895 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -52.2 66.29 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.223 1.409 . . . . 0.0 110.601 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -51.62 -40.91 60.78 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.884 1.673 . . . . 0.0 108.767 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -69.97 -46.69 64.7 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.92 -50.55 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.092 1.757 . . . . 0.0 108.967 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -42.5 -51.5 5.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.763 1.225 . . . . 0.0 110.859 -172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -68.59 -35.1 76.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.81 -42.95 18.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.404 1.082 . . . . 0.0 108.864 -175.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HD13 ' A' ' 6' ' ' LEU . 45.8 t80 -56.17 -63.71 1.1 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.261 1.024 . . . . 0.0 111.792 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.32 61.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.091 1.356 . . . . 0.0 110.739 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.44 -22.03 66.72 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 110.201 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -74.52 -25.43 59.34 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.536 1.935 . . . . 0.0 109.619 170.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.601 HD22 HD23 ' A' ' 8' ' ' LEU . 8.4 t-20 -93.2 -12.09 31.09 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.34 1.456 . . . . 0.0 110.246 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.76 76.36 0.6 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.051 0.834 . . . . 0.0 113.026 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.85 144.05 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.887 1.675 . . . . 0.0 108.992 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -148.17 46.79 1.07 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.644 1.977 . . . . 0.0 109.543 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 -136.31 6.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.103 0.858 . . . . 0.0 113.019 -175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -146.55 151.82 37.95 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.945 1.698 . . . . 0.0 108.784 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -120.22 131.93 55.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.438 1.095 . . . . 0.0 111.672 -160.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -129.12 131.35 47.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.683 1.593 . . . . 0.0 109.859 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -105.8 138.35 42.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.224 1.01 . . . . 0.0 111.721 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -135.09 124.62 25.01 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.675 1.99 . . . . 0.0 109.611 171.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -75.94 -11.42 59.96 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.595 1.958 . . . . 0.0 109.566 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.6 -53.48 23.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.155 1.382 . . . . 0.0 110.547 -173.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 52' ' ' THR . 1.4 t -123.6 27.91 7.19 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.784 1.634 . . . . 0.0 109.924 163.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 49.83 43.45 24.89 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG23 ' A' ' 50' ' ' THR . 6.8 t -91.13 145.72 24.44 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.606 1.562 . . . . 0.0 109.986 -170.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -112.99 117.61 32.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.743 1.217 . . . . 0.0 110.819 170.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -105.13 128.25 53.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.738 1.615 . . . . 0.0 109.889 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.9 t -108.59 132.01 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.791 1.636 . . . . 0.0 108.914 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.3 m -120.96 118.03 28.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.67 1.588 . . . . 0.0 109.947 168.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--O 1.257 1.453 0 C-N-CA 128.723 2.809 . . . . 0.0 108.772 174.12 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttm . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.59 -175.54 38.17 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.031 -1.628 . . . . 0.0 109.031 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -109.87 143.49 39.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 1.2 m-85 -134.73 160.4 38.29 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.977 0.911 . . . . 0.0 110.807 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -124.83 125.74 44.48 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.566 0.346 . . . . 0.0 110.465 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -120.68 109.49 15.27 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 119.977 -1.702 . . . . 0.0 110.967 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.64 132.1 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 127.333 2.253 . . . . 0.0 111.22 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -118.91 129.45 55.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 127.304 2.242 . . . . 0.0 108.289 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -119.79 87.74 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.94 178.41 51.11 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 125.039 1.304 . . . . 0.0 111.64 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -57.18 -50.07 73.98 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.178 0.991 . . . . 0.0 110.541 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 t -124.14 -17.68 6.12 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.087 0.955 . . . . 0.0 112.897 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 tp -108.0 128.08 54.34 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.665 1.186 . . . . 0.0 114.138 -176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -114.89 157.92 22.68 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.87 137.59 4.64 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 107.515 -2.234 . . . . 0.0 107.515 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.84 128.06 15.74 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.379 1.072 . . . . 0.0 108.754 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -134.52 168.12 19.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.513 0.673 . . . . 0.0 110.12 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.0 t -145.52 141.19 28.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 p -148.87 162.03 40.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.758 0.423 . . . . 0.0 110.596 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -120.99 133.17 55.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 127.511 2.325 . . . . 0.0 105.493 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.15 156.15 46.66 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.776 0.798 . . . . 0.0 110.44 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -62.88 -44.46 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 125.137 1.375 . . . . 0.0 111.888 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -142.08 160.31 40.47 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.965 1.306 . . . . 0.0 109.493 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.16 72.08 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.504 0.722 . . . . 0.0 111.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.85 73.8 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.545 1.066 . . . . 0.0 111.023 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.5 m -68.64 -34.29 75.48 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.933 -1.105 . . . . 0.0 109.611 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.5 -31.66 57.84 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.307 1.043 . . . . 0.0 110.766 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -62.67 -32.53 73.61 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.671 1.588 . . . . 0.0 111.05 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.8 -52.66 34.47 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 120.552 -1.342 . . . . 0.0 109.608 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.9 -31.93 55.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.028 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 120.41 1.459 . . . . 0.0 109.168 -178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -77.84 -50.02 13.11 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 118.855 0.752 . . . . 0.0 110.511 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -57.58 -51.49 69.27 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -66.78 -50.85 61.37 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 119.674 1.124 . . . . 0.0 110.458 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.2 94.95 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 122.015 -0.428 . . . . 0.0 111.803 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.39 -39.83 92.12 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 118.618 0.645 . . . . 0.0 110.642 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.68 -27.01 68.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.873 0.869 . . . . 0.0 110.33 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -83.78 3.46 33.37 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.442 2.297 . . . . 0.0 111.072 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.14 39.91 88.28 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 125.496 1.522 . . . . 0.0 115.997 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.02 131.44 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -139.62 65.48 1.43 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.097 -1.445 . . . . 0.0 107.097 176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.74 -177.84 25.89 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 121.606 0.559 . . . . 0.0 113.102 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.58 149.65 26.44 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 127.381 2.272 . . . . 0.0 109.615 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -110.97 150.61 29.0 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.374 1.07 . . . . 0.0 111.618 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 p -140.09 159.2 42.72 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 126.965 2.106 . . . . 0.0 106.409 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 56.7 t80 -133.79 145.73 50.05 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.67 101.25 5.82 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.432 2.293 . . . . 0.0 108.142 178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.7 -11.03 22.49 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.17 -52.16 64.21 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 120.07 1.305 . . . . 0.0 111.386 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.28 0.9 OUTLIER -127.22 13.18 7.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.197 0.999 . . . . 0.0 109.036 177.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.286 31.3 mttm 61.85 48.54 5.32 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 129.697 3.199 . . . . 0.0 107.629 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.5 m -75.51 136.73 40.61 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -121.77 120.05 33.49 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 100.592 -3.855 . . . . 0.0 100.592 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 m -118.25 138.98 51.98 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.3 t -129.53 136.33 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.95 112.76 15.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 104.071 -2.566 . . . . 0.0 104.071 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--O 1.246 0.917 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.146 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.08 -174.19 40.74 Favored Glycine 0 C--N 1.339 0.726 0 CA-C-N 119.821 1.191 . . . . 0.0 111.43 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.3 t -97.0 143.8 27.51 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 22.7 m-85 -130.08 128.26 41.53 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.308 1.043 . . . . 0.0 109.652 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -101.9 128.61 48.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.3 109.46 14.95 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 120.4 -1.438 . . . . 0.0 111.806 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 tt -119.75 130.81 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 127.681 2.393 . . . . 0.0 111.615 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.63 140.72 50.16 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 127.261 2.225 . . . . 0.0 111.564 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -117.42 118.02 31.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.75 -160.92 33.2 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -67.95 -52.11 39.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 118.688 1.244 . . . . 0.0 107.884 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 t -124.3 -23.96 4.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.375 1.07 . . . . 0.0 113.058 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 tp -99.5 130.11 45.73 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.739 1.216 . . . . 0.0 112.54 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -112.1 145.5 39.65 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 126.102 1.761 . . . . 0.0 110.149 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.97 154.76 25.73 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 123.749 0.69 . . . . 0.0 111.883 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -154.61 150.65 27.93 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 117.945 0.872 . . . . 0.0 112.084 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -147.95 170.94 16.61 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 121.054 0.454 . . . . 0.0 110.078 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -143.16 160.29 40.71 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.779 2.032 . . . . 0.0 107.056 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -166.68 166.39 15.98 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 124.35 1.06 . . . . 0.0 108.169 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -128.08 122.56 32.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.95 147.66 44.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.99 0.9 . . . . 0.0 111.423 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 m -71.22 -38.4 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.115 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -140.69 158.68 43.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 126.713 2.005 . . . . 0.0 109.214 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.72 -19.03 59.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.02 -51.0 63.12 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 121.389 1.904 . . . . 0.0 112.146 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -28.91 70.4 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.648 -0.657 . . . . 0.0 110.856 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.56 61.99 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.904 1.282 . . . . 0.0 109.401 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.81 -32.97 74.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 108.416 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -72.43 -51.22 21.26 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.313 1.445 . . . . 0.0 109.786 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -32.02 52.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 123.713 0.805 . . . . 0.0 111.437 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -54.75 -44.77 73.92 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 123.594 0.758 . . . . 0.0 109.108 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -78.19 -49.33 14.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.562 0.619 . . . . 0.0 112.128 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.93 -52.35 65.86 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 117.386 2.365 . . . . 0.0 117.386 -175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -70.81 -44.29 66.87 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.262 1.392 . . . . 0.0 111.683 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -45.68 93.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.403 0.681 . . . . 0.0 110.247 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -70.56 -29.47 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.316 -1.49 . . . . 0.0 111.225 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.37 -18.97 63.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.14 -5.05 56.9 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 129.39 3.076 . . . . 0.0 108.215 177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.35 39.87 97.35 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 127.395 2.426 . . . . 0.0 115.016 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -92.3 138.92 18.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -138.14 65.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.84 -174.46 13.46 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.9 1.238 . . . . 0.0 113.262 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.04 149.98 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.861 2.464 . . . . 0.0 110.02 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -110.6 150.84 28.39 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.101 0.96 . . . . 0.0 113.107 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 p -137.03 155.06 50.16 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 127.507 2.323 . . . . 0.0 105.683 177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 65.7 t80 -139.8 142.45 36.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.47 105.85 8.37 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.043 1.737 . . . . 0.0 107.241 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.86 -11.08 24.38 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.16 -49.81 72.94 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.082 1.353 . . . . 0.0 110.41 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.9 m -126.78 9.45 6.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.239 1.416 . . . . 0.0 109.081 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 27.9 mttm 57.21 40.71 27.82 Favored 'General case' 0 N--CA 1.433 -1.309 0 C-N-CA 130.116 3.367 . . . . 0.0 108.207 -179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 m -82.38 115.64 21.51 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.814 1.246 . . . . 0.0 111.058 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -97.01 130.0 44.39 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 102.016 -3.327 . . . . 0.0 102.016 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -126.48 142.38 51.56 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.224 0.61 . . . . 0.0 109.802 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.55 139.11 52.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 126.352 1.861 . . . . 0.0 109.007 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -122.96 104.03 8.99 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.108 1.363 . . . . 0.0 108.335 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 125.381 1.472 . . . . 0.0 107.919 178.698 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.468 0.436 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.39 179.7 42.36 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -104.61 138.11 41.44 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -137.38 133.23 34.59 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.811 0.844 . . . . 0.0 109.145 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -101.77 134.04 45.56 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.507 1.123 . . . . 0.0 111.089 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.09 112.93 18.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.7 tt -121.31 131.71 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 127.46 2.304 . . . . 0.0 108.886 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.25 123.32 43.99 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.206 1.802 . . . . 0.0 108.434 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.412 ' OD1' ' HE2' ' A' ' 14' ' ' LYS . 68.9 m-80 -97.08 145.9 25.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.98 171.5 22.72 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -57.79 -50.45 73.23 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 122.392 -0.475 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -124.04 4.76 8.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.612 1.565 . . . . 0.0 112.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tp -126.24 143.54 51.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.173 1.351 . . . . 0.0 111.715 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE2' ' OD1' ' A' ' 9' ' ' ASN . 83.5 mttt -142.63 149.38 38.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 125.544 1.538 . . . . 0.0 108.927 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.98 147.49 14.66 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 107.959 -2.057 . . . . 0.0 107.959 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.24 116.08 6.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 118.617 1.208 . . . . 0.0 109.151 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -125.13 174.04 8.33 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.592 0.357 . . . . 0.0 111.07 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 t -147.12 158.52 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -159.72 163.96 34.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -129.38 137.69 51.09 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.199 -3.26 . . . . 0.0 102.199 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.34 152.81 47.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 119.606 1.094 . . . . 0.0 111.09 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.0 m -53.56 -46.01 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 125.585 1.554 . . . . 0.0 110.609 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -139.92 158.69 43.66 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.0 1.32 . . . . 0.0 108.221 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -19.48 65.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.748 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.79 83.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.593 1.542 . . . . 0.0 109.151 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -61.54 -39.56 91.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.77 81.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.776 0.83 . . . . 0.0 109.824 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.0 -42.25 99.8 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.99 1.268 . . . . 0.0 108.902 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.15 -52.75 53.25 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.507 0.323 . . . . 0.0 110.483 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -33.7 59.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-O 118.785 -0.626 . . . . 0.0 110.565 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -41.56 77.95 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 119.442 1.019 . . . . 0.0 110.123 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -75.53 -50.05 16.83 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.278 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.38 -52.12 50.08 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.93 -47.04 86.45 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 119.281 0.946 . . . . 0.0 112.344 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -49.06 37.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.0 -33.72 76.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 119.698 1.136 . . . . 0.0 111.859 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.68 -16.7 63.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.332 1.053 . . . . 0.0 110.282 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -86.58 -5.4 59.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.986 2.114 . . . . 0.0 108.837 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.93 40.7 16.28 Favored Glycine 0 C--N 1.346 1.114 0 CA-C-O 117.839 -1.534 . . . . 0.0 114.663 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.66 136.31 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 116.064 1.876 . . . . 0.0 116.064 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -139.69 65.64 1.42 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.249 1.82 . . . . 0.0 107.82 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.97 -164.3 10.24 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.687 1.137 . . . . 0.0 114.158 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -98.07 146.06 25.92 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.601 1.16 . . . . 0.0 111.785 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -112.09 143.62 42.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.547 1.539 . . . . 0.0 114.706 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 p -125.73 166.38 16.89 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.647 1.979 . . . . 0.0 108.078 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 38.4 t80 -135.09 136.23 41.82 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.89 101.0 6.14 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 128.287 2.635 . . . . 0.0 106.439 178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.37 -14.4 18.46 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 117.423 2.379 . . . . 0.0 117.423 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.35 76.58 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.732 1.605 . . . . 0.0 112.548 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.37 13.39 7.1 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.889 1.275 . . . . 0.0 108.338 178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 48.1 mttm 54.78 47.02 23.34 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.603 2.361 . . . . 0.0 105.669 -177.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -76.77 115.31 16.43 Favored 'General case' 0 N--CA 1.429 -1.523 0 C-N-CA 131.628 3.971 . . . . 0.0 111.64 -178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -104.63 134.88 47.05 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 104.031 -2.581 . . . . 0.0 104.031 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -128.77 142.46 50.98 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.48 138.6 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 C-N-CA 125.432 1.493 . . . . 0.0 109.991 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.4 m -113.54 103.56 11.39 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.831 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttm . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 119.512 -0.28 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.57 -179.59 46.67 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 108.191 -1.964 . . . . 0.0 108.191 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 t -95.12 143.28 26.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -131.47 140.69 49.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.696 -1.965 . . . . 0.0 105.696 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -102.34 133.46 47.23 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.112 0.869 . . . . 0.0 109.79 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tt -121.64 108.86 14.07 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.338 -1.476 . . . . 0.0 109.856 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -119.24 132.97 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 129.139 2.976 . . . . 0.0 112.056 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.92 140.27 49.95 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.686 1.995 . . . . 0.0 108.927 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -126.17 104.18 8.1 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 103.674 -2.713 . . . . 0.0 103.674 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.96 -175.92 34.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.206 -1.558 . . . . 0.0 109.206 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -62.37 -50.47 71.46 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -123.38 -21.5 5.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.726 1.61 . . . . 0.0 111.385 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.7 mt -86.14 143.23 28.13 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 124.822 1.249 . . . . 0.0 111.165 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -143.12 145.18 32.61 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.27 152.8 19.94 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.296 -1.121 . . . . 0.0 110.296 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -151.03 145.52 25.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.618 0.767 . . . . 0.0 109.609 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -148.26 -179.89 7.27 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.47 150.81 35.29 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -141.97 121.51 13.3 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -112.43 111.58 22.52 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.68 -179.67 4.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.532 1.133 . . . . 0.0 110.261 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.53 -44.92 89.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 123.715 0.806 . . . . 0.0 110.434 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.11 164.92 31.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.77 1.628 . . . . 0.0 108.136 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.03 69.79 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.482 0.713 . . . . 0.0 112.916 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -30.55 68.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.964 1.256 . . . . 0.0 111.227 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 m -70.36 -36.19 74.01 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 121.202 -0.936 . . . . 0.0 109.135 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.75 -30.93 66.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.631 0.773 . . . . 0.0 109.978 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -60.49 -31.15 70.2 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.471 1.109 . . . . 0.0 110.986 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.62 -53.1 53.02 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.407 1.083 . . . . 0.0 109.659 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.37 -30.67 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 125.057 1.343 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -53.81 -44.14 69.94 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.971 0.908 . . . . 0.0 109.275 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -77.58 -50.04 13.37 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.69 -0.671 . . . . 0.0 112.122 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.97 -52.6 62.38 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -63.17 -50.23 71.18 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 120.603 1.547 . . . . 0.0 112.021 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.81 -51.33 70.46 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -59.51 -35.83 74.93 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.198 0.908 . . . . 0.0 112.491 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -70.4 -26.79 63.86 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.786 1.634 . . . . 0.0 110.513 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -83.72 12.35 6.05 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.737 2.415 . . . . 0.0 110.612 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.67 38.05 93.22 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 125.227 1.394 . . . . 0.0 114.932 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -81.39 140.75 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 118.546 1.173 . . . . 0.0 114.136 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -139.47 93.11 2.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.284 -2.487 . . . . 0.0 104.284 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.26 -177.77 48.46 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 121.686 2.039 . . . . 0.0 115.366 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.05 150.15 22.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 129.256 3.022 . . . . 0.0 110.574 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -111.35 144.09 41.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.258 1.023 . . . . 0.0 113.217 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 p -131.41 161.19 33.03 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 127.084 2.154 . . . . 0.0 105.905 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -139.93 146.43 39.18 Favored 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.94 97.01 4.66 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 127.218 2.207 . . . . 0.0 108.082 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.98 -18.74 63.58 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.24 70.77 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.056 0.942 . . . . 0.0 112.259 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . 0.279 0.5 OUTLIER -127.45 -3.34 6.13 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.829 1.652 . . . . 0.0 110.42 179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.285 81.5 mttt 66.27 34.63 6.41 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 131.077 3.751 . . . . 0.0 108.02 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.0 m -85.11 115.43 22.91 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 126.273 1.829 . . . . 0.0 113.278 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -94.76 126.35 40.01 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 102.494 -3.151 . . . . 0.0 102.494 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.6 m -123.23 141.53 51.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 118.764 0.711 . . . . 0.0 110.206 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 t -129.97 138.84 53.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 C-N-CA 127.025 2.13 . . . . 0.0 109.013 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -127.51 128.33 45.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 C--O 1.249 1.031 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.243 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 118.322 -0.847 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.43 -174.98 45.94 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.79 115.96 31.19 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 42.0 m-85 -111.69 133.63 53.81 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.236 1.814 . . . . 0.0 108.545 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -102.0 134.27 45.49 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 118.779 0.718 . . . . 0.0 110.846 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.83 107.98 13.39 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.446 0.698 . . . . 0.0 111.673 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.6 tt -124.48 131.99 71.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 126.679 1.992 . . . . 0.0 111.651 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -118.71 138.85 52.36 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.545 1.138 . . . . 0.0 108.105 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -126.14 91.01 3.29 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.51 0.595 . . . . 0.0 111.18 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.75 176.65 25.14 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.838 1.208 . . . . 0.0 111.859 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -55.22 -50.31 69.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.073 0.949 . . . . 0.0 110.941 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 t -123.4 -27.45 4.09 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.406 1.082 . . . . 0.0 111.058 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.71 113.84 22.9 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.661 1.584 . . . . 0.0 111.646 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -142.04 157.99 44.28 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -178.58 151.84 10.84 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.47 127.28 17.21 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.291 1.436 . . . . 0.0 108.146 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -141.17 179.69 6.61 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.419 -0.801 . . . . 0.0 111.532 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -130.28 140.59 50.66 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 126.186 1.795 . . . . 0.0 106.287 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -129.85 124.99 34.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 126.321 1.849 . . . . 0.0 112.127 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -128.73 133.87 48.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 176.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.81 -177.65 5.84 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 125.488 1.515 . . . . 0.0 107.417 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -72.5 -46.09 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 O-C-N 121.691 -0.631 . . . . 0.0 110.101 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -140.64 159.23 42.65 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.142 1.377 . . . . 0.0 108.989 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.59 -20.13 63.64 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.802 0.728 . . . . 0.0 111.26 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.23 85.69 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 120.79 -1.194 . . . . 0.0 109.793 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 m -66.26 -33.24 75.3 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.59 -28.96 56.38 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.762 2.025 . . . . 0.0 112.671 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -54.57 -32.79 59.15 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.327 0.967 . . . . 0.0 112.104 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.81 -52.51 36.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -32.96 59.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.017 179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -55.92 -44.37 78.25 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.394 1.078 . . . . 0.0 109.302 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -77.11 -49.11 15.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.943 -0.551 . . . . 0.0 110.387 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.31 -51.49 68.65 Favored 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -55.95 -41.95 75.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 119.91 1.232 . . . . 0.0 111.833 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.69 -49.21 32.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 121.928 -0.483 . . . . 0.0 110.85 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.76 -35.85 77.43 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 120.867 -1.145 . . . . 0.0 111.263 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.65 -23.85 63.54 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.088 1.755 . . . . 0.0 108.922 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -5.44 58.52 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.89 1.676 . . . . 0.0 107.85 178.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.31 31.73 56.65 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 125.683 1.611 . . . . 0.0 114.356 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -84.08 138.47 19.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.48 65.63 1.43 Allowed 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.52 -175.0 16.22 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.733 -0.605 . . . . 0.0 113.14 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.6 148.69 22.09 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.843 1.257 . . . . 0.0 109.666 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -111.1 143.69 41.43 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.37 1.068 . . . . 0.0 113.134 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.7 p -129.31 170.01 14.15 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 127.084 2.154 . . . . 0.0 108.099 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -140.53 143.16 35.25 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.11 96.11 4.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.607 1.963 . . . . 0.0 106.164 177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -62.78 -22.98 66.99 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.88 -33.94 69.26 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.965 1.257 . . . . 0.0 112.613 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -3.16 6.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.92 1.688 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.263 74.5 mttt 62.54 37.42 13.2 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 130.982 3.713 . . . . 0.0 109.26 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -80.71 116.2 20.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.566 1.946 . . . . 0.0 111.427 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -102.56 111.25 23.47 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 m -109.51 143.12 39.59 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.576 1.15 . . . . 0.0 111.043 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 t -120.29 138.82 49.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 126.316 1.846 . . . . 0.0 106.637 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 m -126.51 106.71 9.64 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 110.484 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.243 0.738 0 C-N-CA 123.662 0.785 . . . . 0.0 109.827 178.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HA ' ' A' ' 23' ' ' ASP . 3.2 ttt . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.73 -173.65 46.45 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -96.31 137.2 35.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 7.2 m-85 -133.62 157.3 46.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.131 1.372 . . . . 0.0 109.237 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -122.02 136.93 54.96 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.245 0.475 . . . . 0.0 111.511 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -122.49 108.92 13.71 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.833 1.253 . . . . 0.0 109.359 178.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 tt -122.46 132.67 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 128.717 2.807 . . . . 0.0 110.467 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.54 139.83 50.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 126.3 1.84 . . . . 0.0 110.53 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -126.55 83.62 2.18 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.707 1.203 . . . . 0.0 110.69 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.74 167.92 31.29 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -57.29 -49.95 74.47 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.666 -0.902 . . . . 0.0 112.411 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 6.0 t -123.58 10.72 9.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.084 0.554 . . . . 0.0 112.168 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.6 mt -129.02 139.27 52.14 Favored 'General case' 0 N--CA 1.462 0.144 0 O-C-N 120.776 -1.202 . . . . 0.0 109.229 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -142.44 157.0 45.23 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.189 0.995 . . . . 0.0 109.769 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 148.58 10.0 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.69 116.81 6.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.516 1.158 . . . . 0.0 109.543 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -130.87 177.02 7.74 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.092 -1.005 . . . . 0.0 111.212 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -138.77 151.41 47.06 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.094 1.357 . . . . 0.0 108.556 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.9 m -149.09 138.16 21.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.653 0.739 . . . . 0.0 109.474 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -118.42 124.14 46.94 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.63 165.02 28.54 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.743 0.782 . . . . 0.0 109.522 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 m -57.56 -40.05 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.009 1.324 . . . . 0.0 111.803 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 15.3 t70 -152.79 162.97 40.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.508 1.123 . . . . 0.0 110.669 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -35.44 80.33 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.9 -41.58 78.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.679 0.792 . . . . 0.0 111.261 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -69.53 -35.14 75.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.898 0.879 . . . . 0.0 110.433 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.04 55.41 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.85 0.86 . . . . 0.0 112.785 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -53.8 -30.56 45.4 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.069 0.85 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.86 -49.35 70.88 Favored 'General case' 0 C--O 1.233 0.184 0 O-C-N 121.046 -1.034 . . . . 0.0 109.448 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -33.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.851 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CZ ' ' CE3' ' A' ' 44' ' ' TRP . 1.2 t80 -56.32 -45.08 80.45 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.109 0.868 . . . . 0.0 109.267 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -77.25 -49.15 15.7 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.824 -0.608 . . . . 0.0 111.423 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.04 -52.24 65.78 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -177.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.79 -49.51 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 119.333 0.969 . . . . 0.0 111.449 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -50.47 73.61 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 117.646 0.203 . . . . 0.0 111.389 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.61 -34.07 77.0 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.067 -1.021 . . . . 0.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.12 -23.09 63.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.768 0.827 . . . . 0.0 109.57 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -83.3 -4.91 58.9 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.503 1.921 . . . . 0.0 108.596 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.54 27.56 61.06 Favored Glycine 0 C--N 1.343 0.945 0 C-N-CA 126.519 2.009 . . . . 0.0 115.406 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -81.65 143.52 12.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -138.75 104.38 5.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 175.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.61 178.8 48.21 Favored Glycine 0 N--CA 1.468 0.832 0 CA-C-N 120.4 1.455 . . . . 0.0 112.649 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.03 149.41 21.84 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.49 1.916 . . . . 0.0 110.937 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' ' CZ ' ' A' ' 31' ' ' PHE . 26.4 m95 -111.01 142.79 42.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.76 1.224 . . . . 0.0 114.198 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -133.51 160.08 38.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.719 2.408 . . . . 0.0 107.734 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -139.55 145.45 38.66 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.087 1.312 . . . . 0.0 113.971 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.29 96.81 4.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.863 2.065 . . . . 0.0 105.989 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -63.88 -17.7 63.44 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.805 0.842 . . . . 0.0 112.351 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.45 -28.55 65.4 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.32 1.048 . . . . 0.0 112.092 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 t -127.73 -22.34 3.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.826 1.651 . . . . 0.0 110.382 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 4' ' ' TYR 0.341 89.2 mttt 83.14 29.07 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 1 C-N-CA 133.427 4.691 . . . . 0.0 108.288 -179.854 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.9 m -80.31 127.66 32.64 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 126.694 1.998 . . . . 0.0 109.651 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -107.77 111.23 23.29 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 103.122 -2.918 . . . . 0.0 103.122 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -103.96 142.37 34.55 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 t -113.96 138.48 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.2 m -126.34 104.61 8.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 . . . . . 0 C--O 1.249 1.054 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 tpp . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -177.95 45.7 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -97.82 135.97 38.81 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.086 -2.561 . . . . 0.0 104.086 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -122.12 140.42 52.56 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.352 1.061 . . . . 0.0 109.155 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -101.43 137.48 39.71 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.126 0.876 . . . . 0.0 109.921 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.59 108.03 13.54 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.064 1.346 . . . . 0.0 111.529 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 tt -124.3 125.49 70.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 127.31 2.244 . . . . 0.0 108.438 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -118.84 140.8 49.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.073 1.349 . . . . 0.0 111.608 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -121.18 123.54 42.52 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.17 172.06 21.92 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 127.361 2.41 . . . . 0.0 107.883 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -57.7 -52.2 66.42 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.252 3.9 t -123.98 -2.09 8.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.854 177.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.2 mt -115.02 115.95 27.66 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.03 1.332 . . . . 0.0 107.77 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.96 149.4 40.04 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.57 167.45 35.8 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.129 -1.189 . . . . 0.0 110.129 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -146.49 153.54 40.54 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 122.787 0.435 . . . . 0.0 111.078 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -156.35 -174.85 5.13 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.221 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.55 148.01 38.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -141.78 166.52 24.5 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.519 1.528 . . . . 0.0 109.299 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -130.92 149.26 52.63 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 127.248 2.219 . . . . 0.0 107.548 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.98 144.57 26.86 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 119.655 1.116 . . . . 0.0 109.188 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.04 -32.57 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -140.05 158.02 44.73 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.29 -19.69 63.9 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.266 -0.896 . . . . 0.0 108.923 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.84 -50.09 64.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.425 1.49 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -76.81 -33.68 57.96 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.182 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.86 74.72 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 32.9 tt0 -56.13 -35.81 67.53 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.992 1.717 . . . . 0.0 112.16 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.58 -52.68 9.25 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.785 0.834 . . . . 0.0 110.343 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.279 0.7 OUTLIER -59.64 -31.77 47.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 117.487 -1.244 . . . . 0.0 110.471 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 22.3 m-30 -55.39 -44.2 75.89 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.688 1.586 . . . . 0.0 110.171 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -67.22 -49.61 63.88 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 118.511 0.596 . . . . 0.0 110.517 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.73 -50.39 74.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.734 0.814 . . . . 0.0 111.314 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.63 -54.35 24.27 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 124.734 1.213 . . . . 0.0 112.943 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.21 72.24 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.686 -0.634 . . . . 0.0 111.356 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -55.98 -28.97 59.47 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.673 -0.68 . . . . 0.0 112.519 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -58.22 -29.35 65.64 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.164 0.986 . . . . 0.0 111.385 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -84.29 5.39 26.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.932 1.293 . . . . 0.0 111.41 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.24 38.2 92.91 Favored Glycine 0 C--N 1.344 0.983 0 CA-C-N 120.394 1.452 . . . . 0.0 111.26 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m -80.04 141.36 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -139.22 126.27 21.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.731 2.812 . . . . 0.0 104.112 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.75 173.68 26.48 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-N 121.82 2.1 . . . . 0.0 111.512 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -89.65 149.42 22.81 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.82 1.648 . . . . 0.0 109.549 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -111.0 127.4 55.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.97 156.09 35.46 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.1 2.16 . . . . 0.0 106.028 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.4 146.9 40.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.928 1.24 . . . . 0.0 112.893 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.53 97.87 5.49 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.631 2.372 . . . . 0.0 106.62 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.01 -25.05 64.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.03 -34.52 68.28 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.467 0.707 . . . . 0.0 112.721 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.4 t -126.81 0.49 6.69 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.788 1.635 . . . . 0.0 111.016 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 37.9 mttp 59.21 24.73 13.18 Favored 'General case' 0 N--CA 1.436 -1.137 1 C-N-CA 132.07 4.148 . . . . 0.0 110.672 -179.268 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.8 m -75.05 127.08 32.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.849 1.66 . . . . 0.0 109.971 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.49 110.73 21.93 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 103.533 -2.766 . . . . 0.0 103.533 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.0 p -100.07 142.2 31.87 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 124.662 1.185 . . . . 0.0 111.129 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 t -128.13 138.81 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.78 1.632 . . . . 0.0 107.436 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.1 p -127.27 104.32 7.88 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.562 0.745 . . . . 0.0 110.832 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.246 0.911 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.833 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.45 -150.67 5.65 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 119.455 1.025 . . . . 0.0 112.999 167.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -112.6 154.79 25.47 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.808 1.643 . . . . 0.0 110.006 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -142.92 133.12 24.53 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.222 1.009 . . . . 0.0 111.784 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -92.57 149.72 21.18 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 150.46 45.42 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.911 1.284 . . . . 0.0 109.701 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 tt -155.84 121.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.272 1.429 . . . . 0.0 109.449 165.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.0 mm? -86.65 143.47 27.6 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.831 1.252 . . . . 0.0 109.608 173.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -125.64 96.12 4.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.247 1.419 . . . . 0.0 110.186 166.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.24 178.88 18.85 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.099 0.857 . . . . 0.0 112.969 169.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -45.4 -53.64 8.4 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -166.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -139.28 28.31 2.28 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.819 1.648 . . . . 0.0 110.019 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -135.43 105.11 6.09 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.967 1.307 . . . . 0.0 109.758 -171.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -128.33 -174.05 3.12 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.69 139.46 3.88 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 124.11 0.862 . . . . 0.0 113.014 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.08 166.17 12.11 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.928 1.691 . . . . 0.0 108.696 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -169.39 162.13 10.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.889 1.676 . . . . 0.0 110.03 -170.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -120.33 140.17 51.67 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.778 1.631 . . . . 0.0 109.953 169.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.51 155.31 43.97 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.673 1.589 . . . . 0.0 109.876 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -130.66 152.6 49.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.927 1.691 . . . . 0.0 108.71 176.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.52 151.9 26.67 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 110.575 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -89.19 -38.17 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.782 1.633 . . . . 0.0 109.07 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -133.82 155.8 49.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.62 1.968 . . . . 0.0 109.558 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.7 -16.77 43.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.334 1.454 . . . . 0.0 110.576 -168.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.93 90.71 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.168 1.387 . . . . 0.0 110.665 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 m -48.36 -61.25 2.1 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.705 1.602 . . . . 0.0 109.932 167.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -47.07 81.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.111 1.364 . . . . 0.0 110.659 -173.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 8.7 tt0 -51.23 -43.16 61.38 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.933 1.693 . . . . 0.0 108.734 178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -76.75 -29.28 56.07 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -42.21 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.921 1.688 . . . . 0.0 108.991 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 23.1 m-30 -51.44 -37.52 49.1 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.628 1.171 . . . . 0.0 110.976 -174.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -85.02 -20.12 30.96 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.08 -61.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.306 1.042 . . . . 0.0 108.876 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CE1' HD21 ' A' ' 8' ' ' LEU . 18.2 t80 -46.14 -50.99 14.84 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.203 1.001 . . . . 0.0 111.815 -174.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -76.93 -42.48 39.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.145 1.378 . . . . 0.0 110.629 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -46.41 -35.87 5.95 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.356 1.462 . . . . 0.0 110.209 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.55 -22.32 64.5 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.626 1.97 . . . . 0.0 109.584 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -98.84 -13.89 19.89 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.313 1.445 . . . . 0.0 110.269 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.78 75.27 1.22 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.096 0.855 . . . . 0.0 113.033 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 35' ' ' ALA . 32.7 m -122.45 143.13 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.931 1.692 . . . . 0.0 109.13 -172.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -147.93 61.38 1.12 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.607 1.963 . . . . 0.0 109.547 167.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.01 -140.59 5.98 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.085 0.85 . . . . 0.0 112.921 -163.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -152.75 139.72 19.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.94 1.696 . . . . 0.0 108.719 -173.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -111.53 121.27 44.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.358 1.063 . . . . 0.0 111.74 -160.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.2 m -126.8 119.25 26.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.763 1.625 . . . . 0.0 109.996 -170.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -98.77 122.36 41.9 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.136 0.974 . . . . 0.0 111.796 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -98.86 116.04 30.19 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.655 1.982 . . . . 0.0 109.545 161.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.47 -12.3 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.686 1.995 . . . . 0.0 109.495 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.4 -66.09 0.59 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.163 1.385 . . . . 0.0 110.698 -172.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.445 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.1 OUTLIER -101.25 19.13 18.23 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.732 1.613 . . . . 0.0 109.929 169.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.7 mttt 47.51 42.4 14.54 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.8 m -86.75 131.68 34.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.78 1.632 . . . . 0.0 110.03 -170.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -99.76 100.88 11.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.701 1.201 . . . . 0.0 110.834 165.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.1 m -91.19 119.32 31.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.793 1.637 . . . . 0.0 109.93 175.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -112.28 125.15 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.847 1.659 . . . . 0.0 109.014 -175.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -113.51 135.92 53.36 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.695 1.598 . . . . 0.0 109.932 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.736 2.814 . . . . 0.0 108.694 161.532 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.7 tpp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.0 165.21 33.61 Favored Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 107.467 -2.253 . . . . 0.0 107.467 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -77.91 143.58 37.6 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -130.5 138.54 50.3 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.59 138.77 36.21 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.99 110.59 16.0 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 120.774 -1.204 . . . . 0.0 110.911 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 tt -122.67 126.19 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.856 2.462 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -118.27 139.36 51.44 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.34 1.056 . . . . 0.0 109.75 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -124.03 67.72 1.05 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.803 0.841 . . . . 0.0 109.264 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.92 164.06 43.79 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 107.955 -2.058 . . . . 0.0 107.955 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.62 -49.33 75.28 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.037 -1.272 . . . . 0.0 111.791 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.287 0.5 OUTLIER -121.8 -9.08 8.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -179.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 137.0 52.45 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -142.44 166.11 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.882 0.873 . . . . 0.0 110.421 -178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.38 170.28 42.75 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -152.04 138.82 18.87 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.996 0.918 . . . . 0.0 108.964 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -142.94 173.24 11.73 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -132.11 142.87 49.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.2 p -144.92 163.26 34.67 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -128.54 143.34 50.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.462 2.305 . . . . 0.0 108.132 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.32 145.17 18.99 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.102 1.319 . . . . 0.0 110.2 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.0 -43.88 93.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 124.225 1.01 . . . . 0.0 111.126 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -139.96 158.3 44.29 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -23.24 64.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.807 -0.616 . . . . 0.0 109.505 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -51.47 65.75 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 110.598 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -67.81 -36.95 81.31 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.495 0.718 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.32 -41.58 89.46 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 123.353 0.661 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.24 -40.87 68.14 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.895 1.278 . . . . 0.0 111.003 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.67 -42.29 51.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.26 0.624 . . . . 0.0 111.425 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -32.99 60.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 CA-C-O 118.166 -0.921 . . . . 0.0 109.624 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -56.18 -44.83 79.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 119.988 1.267 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -66.59 -49.24 66.99 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 118.175 0.443 . . . . 0.0 110.164 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.57 -51.09 71.37 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.817 0.847 . . . . 0.0 111.881 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.23 -54.24 49.19 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 124.995 1.318 . . . . 0.0 111.514 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.65 95.66 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.814 -0.612 . . . . 0.0 111.202 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.18 -33.2 70.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.195 0.907 . . . . 0.0 111.694 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.81 -26.47 68.64 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.751 0.705 . . . . 0.0 110.099 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.45 3.4 32.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.325 1.85 . . . . 0.0 110.101 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.57 36.61 88.48 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 126.989 2.233 . . . . 0.0 114.074 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.28 142.96 13.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -139.74 95.28 2.88 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.58 -176.5 40.64 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.518 1.963 . . . . 0.0 113.909 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -99.87 149.81 23.02 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 126.098 1.759 . . . . 0.0 110.4 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -105.37 133.25 50.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -128.97 157.11 42.58 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.843 2.457 . . . . 0.0 106.199 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 49.0 t80 -139.48 141.74 37.36 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 119.233 0.924 . . . . 0.0 111.497 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.85 95.41 4.91 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 102.971 -2.974 . . . . 0.0 102.971 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -58.9 -29.68 67.22 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.551 1.14 . . . . 0.0 113.619 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.16 65.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.264 1.026 . . . . 0.0 113.288 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -125.84 -1.49 7.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.306 1.843 . . . . 0.0 111.265 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.286 90.5 mttt 61.62 22.2 12.74 Favored 'General case' 0 N--CA 1.435 -1.191 1 C-N-CA 132.838 4.455 . . . . 0.0 110.112 -179.699 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.5 m -74.64 122.76 23.7 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.325 2.25 . . . . 0.0 111.706 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -100.15 110.96 23.23 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.176 -3.638 . . . . 0.0 101.176 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -105.83 134.24 49.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.965 1.306 . . . . 0.0 111.217 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.64 134.41 63.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 126.007 1.723 . . . . 0.0 107.449 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -127.76 118.4 23.69 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.395 1.478 . . . . 0.0 107.352 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-N 118.49 0.586 . . . . 0.0 110.325 179.172 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.44 -173.07 43.49 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -87.98 143.66 26.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.052 1.341 . . . . 0.0 107.618 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -130.8 127.99 39.78 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.3 tttt -101.81 133.81 45.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.583 1.083 . . . . 0.0 110.646 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.92 109.54 15.67 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.312 1.845 . . . . 0.0 112.514 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 tt -122.63 127.57 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.278 2.231 . . . . 0.0 109.464 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.03 139.3 51.39 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.631 1.172 . . . . 0.0 108.032 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -125.76 64.76 1.19 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.38 162.76 49.51 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -64.69 -32.79 74.62 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.287 -0.537 . . . . 0.0 111.594 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 t -121.29 -16.38 7.92 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.7 mt -128.63 138.33 52.13 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 124.408 1.083 . . . . 0.0 109.77 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -142.17 144.9 33.65 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.35 171.21 44.36 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -148.14 131.17 16.28 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.998 1.319 . . . . 0.0 109.35 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 t -136.41 174.6 10.44 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.53 0.732 . . . . 0.0 110.581 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -145.17 145.99 31.58 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 124.982 1.313 . . . . 0.0 107.604 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.5 p -152.7 166.43 32.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.314 1.446 . . . . 0.0 109.988 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -111.87 148.76 32.95 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.153 2.181 . . . . 0.0 108.837 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.58 144.53 35.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.127 0.971 . . . . 0.0 108.496 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.9 -43.23 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.461 0.704 . . . . 0.0 110.64 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -152.44 159.23 43.4 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 128.423 2.689 . . . . 0.0 105.854 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -21.39 33.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.294 1.038 . . . . 0.0 113.767 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.91 70.53 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.979 1.263 . . . . 0.0 111.945 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -78.25 -37.75 44.47 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.574 -0.704 . . . . 0.0 109.656 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.99 75.71 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.931 0.892 . . . . 0.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.89 -36.03 64.73 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.437 -0.789 . . . . 0.0 111.948 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.62 -49.53 18.2 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.582 0.753 . . . . 0.0 109.643 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.81 -33.21 44.96 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.085 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -56.53 -44.48 80.86 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.974 1.261 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -71.71 -48.85 44.4 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.269 0.94 . . . . 0.0 110.184 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -57.92 -50.8 72.12 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.611 0.764 . . . . 0.0 112.38 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -65.79 -53.99 32.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.743 1.217 . . . . 0.0 110.873 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.68 75.7 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.957 0.344 . . . . 0.0 110.894 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -56.89 -32.91 66.37 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.277 0.49 . . . . 0.0 111.889 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.89 -24.6 67.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.444 0.565 . . . . 0.0 111.503 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.88 1.44 43.3 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 127.381 2.273 . . . . 0.0 110.131 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.55 95.5 Favored Glycine 0 C--N 1.347 1.143 0 O-C-N 120.659 -1.276 . . . . 0.0 112.701 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -85.74 141.4 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 119.322 3.082 . . . . 0.0 119.322 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -139.73 87.81 2.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 128.33 2.652 . . . . 0.0 106.956 175.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.9 -172.53 33.38 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 120.704 1.593 . . . . 0.0 115.884 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -91.07 149.67 21.73 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 128.613 2.765 . . . . 0.0 110.801 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -111.46 134.22 53.19 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.2 m -125.09 156.68 37.89 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.21 2.604 . . . . 0.0 105.736 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 47.0 t80 -139.32 143.64 37.92 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.789 1.177 . . . . 0.0 112.444 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 96.2 4.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.802 2.441 . . . . 0.0 105.577 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -60.07 -27.86 67.33 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.6 -33.77 66.55 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.613 0.765 . . . . 0.0 112.424 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.19 7.43 5.98 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.014 1.726 . . . . 0.0 110.674 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.265 46.5 mttt 52.27 31.85 9.95 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 130.095 3.358 . . . . 0.0 109.932 -177.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -76.19 116.35 16.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 128.376 2.671 . . . . 0.0 111.295 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -105.09 110.85 23.4 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 104.03 -2.581 . . . . 0.0 104.03 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 m -105.02 142.33 35.0 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.662 0.785 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.02 137.59 56.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 126.42 1.888 . . . . 0.0 106.011 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 p -128.0 107.58 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.145 1.378 . . . . 0.0 110.668 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 178.372 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.469 0.506 0 CA-C-O 118.087 -0.958 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.78 -171.77 24.14 Favored Glycine 0 C--N 1.34 0.804 0 CA-C-N 119.907 1.23 . . . . 0.0 111.845 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.39 141.7 30.94 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 104.332 -2.469 . . . . 0.0 104.332 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -129.48 128.24 42.48 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -101.08 131.47 46.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.388 0.995 . . . . 0.0 110.06 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.87 115.59 23.52 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.41 -1.431 . . . . 0.0 113.142 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -122.65 132.14 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 127.689 2.396 . . . . 0.0 110.075 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -118.58 136.28 53.95 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.547 1.139 . . . . 0.0 109.811 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -115.19 70.18 0.74 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.98 159.3 45.41 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -63.93 -40.42 96.43 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.742 1.217 . . . . 0.0 110.629 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -121.33 -17.15 7.72 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt -128.81 139.27 52.25 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 119.36 0.982 . . . . 0.0 109.58 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -142.54 161.43 38.08 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.335 0.654 . . . . 0.0 110.928 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.01 32.68 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.96 136.55 30.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -143.51 173.36 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 118.729 0.695 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -145.39 141.23 28.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -149.76 167.54 26.2 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 108.741 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -124.95 149.15 47.96 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.257 1.823 . . . . 0.0 108.3 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.55 149.77 39.52 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.705 1.139 . . . . 0.0 111.293 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -58.62 -45.95 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.274 1.029 . . . . 0.0 110.878 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -147.71 158.79 44.18 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 127.308 2.243 . . . . 0.0 106.124 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.39 -19.73 56.95 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.371 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.73 66.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 121.187 1.812 . . . . 0.0 110.905 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 m -65.48 -36.72 84.73 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.117 0.967 . . . . 0.0 110.353 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.01 -49.87 68.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.014 0.526 . . . . 0.0 109.719 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.11 -34.56 60.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.386 1.074 . . . . 0.0 111.048 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.67 -51.24 14.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.638 1.175 . . . . 0.0 108.754 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -32.61 49.45 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.338 0 CA-C-O 117.967 -1.016 . . . . 0.0 111.154 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -56.34 -45.68 80.29 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 120.105 1.321 . . . . 0.0 111.928 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -75.21 -44.77 44.51 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 118.519 0.6 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -57.78 -50.45 73.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.389 0.676 . . . . 0.0 110.888 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -67.06 -54.79 18.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 123.754 0.821 . . . . 0.0 111.879 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.89 71.8 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 119.303 -0.38 . . . . 0.0 111.508 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -55.97 -29.25 59.95 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.263 0.625 . . . . 0.0 111.63 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.64 -24.71 67.9 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.091 0.86 . . . . 0.0 111.385 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -83.69 3.95 30.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.362 1.465 . . . . 0.0 108.803 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.13 38.66 96.5 Favored Glycine 0 C--N 1.343 0.955 0 O-C-N 120.603 -1.311 . . . . 0.0 111.293 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.4 m -80.56 142.96 13.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -139.3 106.44 5.48 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 130.166 3.387 . . . . 0.0 104.56 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.89 176.93 41.15 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 121.911 2.141 . . . . 0.0 114.075 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -85.54 149.28 25.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 128.551 2.74 . . . . 0.0 110.917 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -111.62 146.58 37.18 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 124.896 1.279 . . . . 0.0 113.65 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.1 m -136.63 156.49 48.47 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.846 2.459 . . . . 0.0 106.429 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 62.0 t80 -139.23 141.78 37.87 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.498 1.045 . . . . 0.0 112.641 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.88 97.08 4.69 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 129.471 3.108 . . . . 0.0 108.018 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.2 -24.45 59.13 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.47 69.9 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 119.742 1.155 . . . . 0.0 112.87 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.56 9.48 6.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.332 1.853 . . . . 0.0 110.245 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 46' ' ' TYR 0.269 68.9 mttt 52.35 33.95 13.96 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 130.776 3.63 . . . . 0.0 109.296 -178.429 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -75.02 115.34 14.54 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 129.187 2.995 . . . . 0.0 111.613 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -105.11 131.12 53.01 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 102.109 -3.293 . . . . 0.0 102.109 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.0 m -128.29 142.68 51.07 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 123.996 0.918 . . . . 0.0 110.459 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.37 138.59 53.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 126.987 2.115 . . . . 0.0 108.329 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.1 p -126.98 109.39 11.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.944 1.698 . . . . 0.0 109.707 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.981 0.913 . . . . 0.0 109.57 178.569 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.47 -167.77 28.63 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 t -107.02 143.87 34.49 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 123.621 0.768 . . . . 0.0 109.546 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -133.6 137.65 45.57 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.909 1.683 . . . . 0.0 106.937 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -101.07 135.87 41.83 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 118.794 0.724 . . . . 0.0 110.408 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 31' ' ' PHE . 22.3 mt -121.23 109.04 14.48 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.194 1.398 . . . . 0.0 112.113 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tt -123.46 131.85 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 127.773 2.429 . . . . 0.0 110.38 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.05 140.82 49.41 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.943 2.097 . . . . 0.0 111.825 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -126.48 107.64 10.44 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.615 1.566 . . . . 0.0 109.906 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.7 -175.28 19.95 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.103 1.335 . . . . 0.0 111.812 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.66 -50.21 39.16 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.654 -0.91 . . . . 0.0 110.647 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.258 10.6 t -123.73 3.25 8.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.78 1.232 . . . . 0.0 113.032 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.6 mt -128.3 145.0 51.19 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 119.504 1.047 . . . . 0.0 110.857 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -142.5 165.74 26.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.875 1.67 . . . . 0.0 109.073 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.3 156.96 25.4 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.73 127.68 4.83 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.268 1.027 . . . . 0.0 108.405 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -147.75 -178.44 6.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.911 0.863 . . . . 0.0 108.78 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 162.01 33.17 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 p -144.78 153.2 41.4 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 108.9 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.33 120.45 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 101.727 -3.434 . . . . 0.0 101.727 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.62 156.01 47.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 119.074 0.852 . . . . 0.0 111.464 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.02 -45.61 95.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 124.499 1.12 . . . . 0.0 110.55 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -149.42 159.94 43.86 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.36 1.464 . . . . 0.0 109.354 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.17 66.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.714 -0.66 . . . . 0.0 112.564 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.72 -32.88 74.07 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 120.49 1.496 . . . . 0.0 110.059 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -73.2 -38.13 66.21 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 124.338 1.055 . . . . 0.0 109.544 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.39 78.91 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.104 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -53.81 -34.79 60.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.613 1.165 . . . . 0.0 111.139 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -76.85 -52.7 9.02 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.06 1.344 . . . . 0.0 109.851 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -33.06 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 118.053 -0.975 . . . . 0.0 112.618 -178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' HD21 ' A' ' 6' ' ' LEU . 15.9 m-30 -55.61 -40.98 72.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.218 1.372 . . . . 0.0 111.581 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -71.25 -34.76 71.04 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.033 0.933 . . . . 0.0 112.062 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.58 -51.0 10.55 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 118.646 0.657 . . . . 0.0 110.022 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -54.18 -55.22 30.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 125.779 1.632 . . . . 0.0 113.118 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -68.5 -34.32 75.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -57.47 -30.85 65.41 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.276 0.489 . . . . 0.0 111.453 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.99 -25.88 67.29 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.857 0.753 . . . . 0.0 111.084 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -84.55 0.26 50.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.924 2.09 . . . . 0.0 109.807 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.86 40.32 93.6 Favored Glycine 0 C--N 1.343 0.964 0 C-N-CA 125.937 1.732 . . . . 0.0 113.015 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG21 ' HB1' ' A' ' 35' ' ' ALA . 16.1 m -85.31 141.36 14.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 118.941 1.37 . . . . 0.0 113.909 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -139.57 65.61 1.43 Allowed 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.77 -174.3 17.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.07 148.99 26.52 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 130.498 3.519 . . . . 0.0 111.313 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -113.43 145.97 40.3 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.71 154.57 45.39 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.456 ' CE1' ' HA ' ' A' ' 51' ' ' LYS . 67.4 t80 -135.89 137.48 41.46 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.436 0.695 . . . . 0.0 111.61 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.79 108.39 10.69 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.047 1.739 . . . . 0.0 107.667 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.55 -10.77 8.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.815 2.046 . . . . 0.0 115.939 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.59 72.06 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 120.068 1.304 . . . . 0.0 112.085 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 -6.41 5.74 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.274 1.83 . . . . 0.0 109.593 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 46' ' ' TYR . 73.3 mttt 73.24 38.81 0.65 Allowed 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 129.879 3.272 . . . . 0.0 105.418 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -87.6 129.06 35.24 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 125.361 1.464 . . . . 0.0 112.434 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.43 ' HB2' HD23 ' A' ' 6' ' ' LEU . 78.2 m-85 -103.94 136.16 44.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 102.814 -3.032 . . . . 0.0 102.814 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -134.54 142.34 46.96 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.148 0.28 . . . . 0.0 110.696 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.86 136.52 60.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 126.214 1.806 . . . . 0.0 106.654 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -128.37 105.21 8.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.609 1.164 . . . . 0.0 108.419 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 0.991 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.527 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.64 46.74 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -95.78 143.66 26.82 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 106.272 -1.751 . . . . 0.0 106.272 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -135.52 128.27 31.03 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -102.23 130.67 48.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.464 1.029 . . . . 0.0 109.836 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.53 112.54 18.15 Favored 'General case' 0 C--O 1.219 -0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.83 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tt -120.96 131.5 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 128.237 2.615 . . . . 0.0 107.774 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.95 139.45 51.14 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.32 1.448 . . . . 0.0 109.094 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -125.02 86.9 2.62 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.056 0.942 . . . . 0.0 109.175 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.05 176.51 49.46 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 109.134 -1.587 . . . . 0.0 109.134 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -62.66 -50.93 69.26 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.05 -1.265 . . . . 0.0 110.978 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . 0.275 4.2 t -123.25 4.12 9.18 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.175 0.99 . . . . 0.0 113.401 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -127.29 147.67 50.23 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.395 1.078 . . . . 0.0 108.855 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -142.31 148.16 37.53 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.62 149.8 16.05 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -148.92 163.21 38.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 117.777 0.789 . . . . 0.0 111.322 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -156.92 170.64 22.04 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.788 0.804 . . . . 0.0 108.971 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -142.5 140.02 31.71 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 102.083 -3.303 . . . . 0.0 102.083 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.2 p -147.35 166.12 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -128.08 114.18 16.72 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 103.52 -2.771 . . . . 0.0 103.52 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.55 148.32 31.45 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 124.24 1.016 . . . . 0.0 111.748 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -59.76 -45.96 94.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 124.84 1.256 . . . . 0.0 110.731 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -141.56 158.98 43.15 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.709 1.604 . . . . 0.0 107.223 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.66 65.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.45 -30.43 67.26 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.684 1.583 . . . . 0.0 108.801 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -65.04 -41.53 95.14 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.96 94.84 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -54.21 -41.27 68.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.383 1.073 . . . . 0.0 109.875 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -66.67 -52.82 40.48 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.397 -0.815 . . . . 0.0 111.259 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -61.63 -33.0 55.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 118.845 -0.598 . . . . 0.0 110.124 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -56.19 -40.66 74.31 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 110.109 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -49.59 14.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 120.187 1.358 . . . . 0.0 111.701 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -52.38 64.07 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 -176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -63.34 -52.16 62.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.231 1.378 . . . . 0.0 112.515 -177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.39 93.9 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.375 0.67 . . . . 0.0 110.361 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -65.32 -36.96 85.65 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 118.804 0.729 . . . . 0.0 110.588 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -67.82 -24.65 65.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.801 0.84 . . . . 0.0 109.721 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -83.55 -3.08 57.34 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.367 2.267 . . . . 0.0 109.694 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.86 38.9 56.05 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 126.024 1.774 . . . . 0.0 116.135 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 m -81.16 140.52 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.654 1.727 . . . . 0.0 112.279 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -139.09 66.01 1.43 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 106.059 -1.83 . . . . 0.0 106.059 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.77 -163.82 11.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 121.14 -0.975 . . . . 0.0 114.593 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.42 149.54 30.12 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.728 2.011 . . . . 0.0 110.425 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 21.0 m95 -101.15 136.14 41.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.103 1.761 . . . . 0.0 114.899 -176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.6 p -120.78 162.1 20.33 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.613 2.365 . . . . 0.0 107.922 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -139.78 140.67 36.74 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 116.293 1.96 . . . . 0.0 116.293 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -129.28 96.75 4.38 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 107.209 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.95 -22.64 64.62 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.6 -26.67 61.86 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.864 0.866 . . . . 0.0 113.13 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.05 -17.54 4.34 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.224 1.81 . . . . 0.0 110.296 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.273 43.1 mttm 74.27 33.57 0.89 Allowed 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 131.381 3.872 . . . . 0.0 104.907 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 m -76.65 135.79 39.14 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.394 1.477 . . . . 0.0 108.939 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.95 110.9 16.84 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 101.824 -3.398 . . . . 0.0 101.824 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 m -111.39 141.76 44.52 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -129.94 136.49 58.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 125.777 1.631 . . . . 0.0 106.848 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m -128.11 116.28 19.73 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.85 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 117.75 -1.119 . . . . 0.0 108.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.48 -164.22 20.46 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 119.373 0.988 . . . . 0.0 112.921 171.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 t -97.48 139.19 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.674 1.59 . . . . 0.0 109.97 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.95 137.84 54.25 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.197 0.999 . . . . 0.0 111.763 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -102.59 154.59 18.98 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 144.75 30.76 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.792 1.237 . . . . 0.0 109.666 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 tt -152.9 133.09 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.281 1.432 . . . . 0.0 109.522 163.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.822 HD23 HD22 ' A' ' 38' ' ' ASN . 0.9 OUTLIER -97.08 143.01 28.32 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.936 1.294 . . . . 0.0 109.733 170.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.59 114.39 18.02 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.252 1.421 . . . . 0.0 110.247 170.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.49 -178.18 16.47 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.142 0.877 . . . . 0.0 112.981 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.94 -54.63 32.09 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -135.44 34.22 3.0 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.742 1.617 . . . . 0.0 109.955 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -138.05 145.88 42.31 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.847 1.259 . . . . 0.0 109.691 -172.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -166.37 160.47 15.72 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.97 145.88 4.22 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.043 0.83 . . . . 0.0 112.913 173.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -128.66 162.35 27.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.834 1.654 . . . . 0.0 108.325 -176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 t -166.09 171.56 12.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 127.185 2.194 . . . . 0.0 110.348 -173.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 t -137.75 154.45 49.6 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.932 1.693 . . . . 0.0 109.969 171.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.1 p -134.71 168.51 18.88 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.703 1.601 . . . . 0.0 109.987 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -134.19 129.56 35.97 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.883 1.673 . . . . 0.0 108.685 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.11 147.01 49.7 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.166 1.386 . . . . 0.0 110.709 -170.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -80.46 -32.61 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.948 1.699 . . . . 0.0 108.98 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -138.39 155.15 48.78 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.632 1.973 . . . . 0.0 109.549 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.25 -14.91 63.36 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.108 1.363 . . . . 0.0 110.529 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.59 84.54 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.162 1.385 . . . . 0.0 110.625 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.6 m -65.7 -54.76 23.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.679 1.591 . . . . 0.0 109.987 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.72 7.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.161 1.384 . . . . 0.0 110.64 166.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 36.0 tt0 -62.11 -31.53 72.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.904 1.681 . . . . 0.0 108.636 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.33 -42.38 75.4 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.18 -46.67 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.781 1.632 . . . . 0.0 109.006 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 28' ' ' GLU . 21.5 m-30 -48.03 -46.98 33.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 110.804 -170.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -71.29 -42.57 68.53 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -74.2 -54.78 7.03 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.317 1.047 . . . . 0.0 108.869 -175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.629 ' CE1' HD21 ' A' ' 8' ' ' LEU . 20.9 t80 -57.87 -45.13 86.79 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.21 1.004 . . . . 0.0 111.838 -168.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -83.6 -41.61 17.66 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.173 1.389 . . . . 0.0 110.531 -168.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.11 -24.93 60.56 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.288 1.435 . . . . 0.0 110.233 173.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.56 -28.22 56.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.667 1.987 . . . . 0.0 109.516 173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.822 HD22 HD23 ' A' ' 8' ' ' LEU . 4.3 t-20 -92.05 -7.25 49.3 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.315 1.446 . . . . 0.0 110.301 175.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.07 74.93 1.03 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.057 0.836 . . . . 0.0 113.034 167.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m -122.06 147.38 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.83 1.652 . . . . 0.0 109.012 -170.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -149.43 57.48 1.0 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.553 1.941 . . . . 0.0 109.489 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.02 -132.86 3.56 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.209 0.909 . . . . 0.0 112.973 -170.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.61 144.01 17.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.017 1.727 . . . . 0.0 108.717 -168.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -112.17 124.67 52.95 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.391 1.076 . . . . 0.0 111.599 -161.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.6 p -130.42 159.98 35.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.717 1.607 . . . . 0.0 109.866 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -138.21 140.1 39.59 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.21 1.004 . . . . 0.0 111.783 -161.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -128.29 113.72 16.0 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.719 2.007 . . . . 0.0 109.542 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -80.29 14.92 1.74 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.594 1.958 . . . . 0.0 109.613 -163.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.62 -51.6 6.37 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.165 1.386 . . . . 0.0 110.597 -173.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.0 t -116.72 14.94 15.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.677 1.591 . . . . 0.0 109.853 166.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 52.51 48.57 22.29 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.556 0.946 . . . . 0.0 113.556 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -78.51 136.16 37.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.699 1.6 . . . . 0.0 109.963 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -101.97 108.81 20.38 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.673 1.189 . . . . 0.0 110.895 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.1 m -86.97 128.91 35.07 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.736 1.614 . . . . 0.0 109.909 176.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.83 120.15 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.915 1.686 . . . . 0.0 109.111 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.4 m -116.3 119.91 37.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.779 1.632 . . . . 0.0 109.929 168.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.257 1.471 0 C-N-CA 128.643 2.777 . . . . 0.0 108.698 171.11 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.65 -128.24 0.94 Allowed Glycine 0 CA--C 1.526 0.771 0 CA-C-N 119.408 1.004 . . . . 0.0 113.057 173.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.6 135.65 51.51 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.865 1.666 . . . . 0.0 110.018 -177.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -110.71 123.91 50.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.278 1.031 . . . . 0.0 111.76 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -88.79 149.19 23.54 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 169.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.31 141.39 37.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.899 1.28 . . . . 0.0 109.712 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 tt -151.83 137.27 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.322 1.449 . . . . 0.0 109.52 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 34' ' ' TYR . 1.3 mm? -104.67 150.5 24.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.862 1.265 . . . . 0.0 109.708 171.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -131.95 98.52 4.47 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.285 1.434 . . . . 0.0 110.23 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.98 178.63 18.83 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.041 0.829 . . . . 0.0 113.022 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -60.14 -55.84 28.89 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.94 23.07 10.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.676 1.591 . . . . 0.0 109.882 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 mt -139.9 134.61 31.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.902 1.281 . . . . 0.0 109.634 -167.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -155.46 -178.02 6.97 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.91 153.44 6.05 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.132 0.872 . . . . 0.0 113.017 174.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -134.86 151.9 51.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.979 1.712 . . . . 0.0 108.74 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 t -163.88 176.27 9.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.853 1.661 . . . . 0.0 110.015 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.4 t -146.91 151.64 37.38 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.792 1.637 . . . . 0.0 109.926 -176.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -145.58 156.12 43.48 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.763 1.625 . . . . 0.0 110.013 -165.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -123.25 144.27 49.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.027 1.731 . . . . 0.0 108.752 171.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 26' ' ' THR . . . -150.94 141.43 22.51 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.105 1.362 . . . . 0.0 110.576 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.17 -39.78 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 125.88 1.672 . . . . 0.0 108.998 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -129.24 160.37 33.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.656 1.982 . . . . 0.0 109.592 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.26 -31.4 72.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.074 1.349 . . . . 0.0 110.634 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.7 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.128 1.371 . . . . 0.0 110.71 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.468 ' HB ' ' HB1' ' A' ' 21' ' ' ALA . 28.2 m -48.82 -58.69 4.42 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.725 1.61 . . . . 0.0 109.908 171.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' ' CZ ' ' A' ' 31' ' ' PHE . . . -54.59 -59.54 4.56 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.172 1.389 . . . . 0.0 110.639 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 31' ' ' PHE . 52.2 tt0 -51.79 -40.3 60.15 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.908 1.683 . . . . 0.0 108.69 -171.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -67.37 -31.39 71.59 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.57 -42.24 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.95 1.7 . . . . 0.0 109.023 170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.609 ' CZ ' ' HB1' ' A' ' 27' ' ' ALA . 17.9 m-30 -56.45 -43.22 79.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.741 1.216 . . . . 0.0 110.861 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -79.28 -20.43 48.05 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.82 -56.16 3.99 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.348 1.059 . . . . 0.0 108.841 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CE1' HD21 ' A' ' 8' ' ' LEU . 17.2 t80 -59.66 -39.55 84.8 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.188 0.995 . . . . 0.0 111.857 -164.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.59 20.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.182 1.393 . . . . 0.0 110.651 -172.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -61.33 -26.93 68.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.276 1.43 . . . . 0.0 110.327 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -73.15 -31.4 64.23 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.668 1.987 . . . . 0.0 109.574 173.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -74.62 -33.36 62.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.386 1.474 . . . . 0.0 110.27 169.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.84 91.4 1.05 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.127 0.87 . . . . 0.0 113.138 -170.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.43 149.51 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.851 1.661 . . . . 0.0 108.961 -176.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -148.05 52.69 1.02 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.621 1.968 . . . . 0.0 109.589 172.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.05 -136.66 5.26 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 124.166 0.889 . . . . 0.0 113.054 -170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.48 142.12 21.85 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.938 1.695 . . . . 0.0 108.703 -172.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -108.97 131.79 54.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.385 1.074 . . . . 0.0 111.683 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.1 p -123.62 142.97 50.53 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.74 1.616 . . . . 0.0 109.904 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -114.53 133.48 55.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.244 1.017 . . . . 0.0 111.784 -170.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.21 110.38 15.65 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.7 2.0 . . . . 0.0 109.561 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -73.21 -16.34 61.42 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.649 1.979 . . . . 0.0 109.596 -170.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.58 -54.4 11.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.061 1.344 . . . . 0.0 110.693 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -128.36 29.53 5.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.756 1.622 . . . . 0.0 110.026 174.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mttm 39.09 49.38 1.64 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.6 m -93.46 122.44 35.89 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.789 1.636 . . . . 0.0 109.975 -172.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -90.47 120.44 31.57 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.766 1.226 . . . . 0.0 110.851 168.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.06 129.03 54.87 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.766 1.626 . . . . 0.0 109.945 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -116.68 140.2 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.927 1.691 . . . . 0.0 108.973 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 88.6 m -141.82 126.74 18.25 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.714 1.605 . . . . 0.0 109.93 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 C--O 1.258 1.5 0 C-N-CA 128.79 2.836 . . . . 0.0 108.678 -178.401 . . . . . . . . 0 0 . 1 stop_ save_