==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 01-MAR-12 4DZV . COMPND 2 MOLECULE: GP41-5; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR L.M.JOHNSON,D.E.MORTENSON,H.G.YUN,W.S.HORNE,T.J.KETAS,M.LU,J . 223 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 87.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 82.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A G > 0 0 72 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 11.5 -13.9 -28.8 -0.4 2 3 A I H > + 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 360.0 49.9 -64.4 -44.4 -10.3 -27.4 -0.3 3 4 A V H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 112.9 46.5 -61.7 -44.2 -10.8 -24.8 -3.0 4 5 A Q H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.883 111.9 51.3 -62.4 -40.5 -14.0 -23.5 -1.5 5 6 A Q H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.2 0.929 106.8 54.8 -63.7 -42.3 -12.3 -23.3 2.0 6 7 A Q H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.867 105.1 53.9 -58.4 -37.9 -9.4 -21.4 0.4 7 8 A N H X S+ 0 0 33 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.886 108.2 48.1 -61.4 -45.0 -12.0 -18.9 -0.9 8 9 A N H X S+ 0 0 32 -4,-1.7 4,-2.1 -3,-0.2 -2,-0.2 0.886 112.1 49.9 -63.0 -40.7 -13.4 -18.4 2.7 9 10 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.911 110.9 49.6 -63.4 -40.6 -9.9 -17.9 4.0 10 11 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.929 111.1 49.3 -64.2 -44.7 -9.2 -15.4 1.3 11 12 A R H X S+ 0 0 136 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.857 109.1 52.4 -60.9 -37.1 -12.4 -13.6 2.1 12 13 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.943 109.3 50.0 -64.8 -45.3 -11.5 -13.5 5.8 13 14 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 110.9 49.5 -57.4 -45.5 -8.1 -12.0 4.9 14 15 A E H X S+ 0 0 54 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.879 111.9 46.8 -60.7 -45.5 -9.8 -9.3 2.8 15 16 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.876 111.0 53.3 -65.9 -36.8 -12.2 -8.3 5.5 16 17 A Q H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.901 106.4 54.1 -64.4 -37.6 -9.3 -8.3 8.0 17 18 A Q H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 108.7 47.0 -61.6 -43.9 -7.5 -5.9 5.7 18 19 A H H X S+ 0 0 84 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.922 112.7 49.8 -59.5 -45.1 -10.5 -3.5 5.6 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.946 110.2 50.9 -61.1 -47.4 -10.7 -3.7 9.4 20 21 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.872 107.1 53.6 -54.2 -43.6 -6.9 -3.0 9.6 21 22 A Q H X S+ 0 0 60 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.875 106.7 52.7 -63.1 -36.3 -7.4 0.1 7.3 22 23 A L H X S+ 0 0 40 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 108.9 49.1 -62.9 -39.1 -10.1 1.4 9.7 23 24 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.929 108.3 53.4 -70.1 -38.6 -7.7 1.0 12.7 24 25 A V H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.921 108.4 51.1 -58.7 -45.2 -5.0 2.9 10.7 25 26 A W H X S+ 0 0 83 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.969 110.5 48.5 -53.9 -53.5 -7.6 5.7 10.2 26 27 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.877 110.5 51.3 -55.3 -41.6 -8.3 5.8 13.9 27 28 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.899 108.7 50.9 -65.6 -41.8 -4.6 5.9 14.8 28 29 A K H X S+ 0 0 72 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.894 107.9 52.2 -64.8 -40.6 -4.0 8.8 12.4 29 30 A Q H X S+ 0 0 81 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.959 114.4 44.2 -54.1 -48.7 -6.9 10.8 14.0 30 31 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.898 109.6 54.4 -67.0 -43.2 -5.3 10.2 17.3 31 32 A Q H X S+ 0 0 37 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.849 104.2 56.0 -59.2 -37.8 -1.7 11.0 16.2 32 33 A A H < S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.1 41.8 -64.9 -33.7 -2.9 14.4 14.8 33 34 A R H < S+ 0 0 153 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.831 125.1 32.0 -79.8 -30.8 -4.2 15.3 18.3 34 35 A I H < S+ 0 0 26 -4,-1.9 2,-0.3 2,-0.0 -3,-0.2 0.790 108.9 61.5-101.0 -33.9 -1.3 13.9 20.4 35 36 A L < - 0 0 26 -4,-2.4 2,-0.5 -5,-0.3 75,-0.0 -0.718 59.3-148.1-110.1 156.1 1.8 14.3 18.4 36 37 A S - 0 0 111 -2,-0.3 3,-0.5 3,-0.0 2,-0.3 -0.969 66.1 -26.6-122.0 116.3 3.8 17.2 16.9 37 38 A G S S- 0 0 81 -2,-0.5 -2,-0.1 1,-0.2 0, 0.0 -0.616 90.3 -70.0 87.1-134.2 5.8 16.7 13.7 38 39 A G S >S+ 0 0 29 -2,-0.3 5,-2.5 4,-0.0 3,-0.3 0.257 84.3 115.5-150.3 10.0 7.1 13.3 12.6 39 40 A S T > 5 + 0 0 101 -3,-0.5 3,-1.1 3,-0.2 -3,-0.0 -0.074 50.1 61.6 -79.8-175.1 9.9 12.3 15.0 40 41 A G T 3 5S- 0 0 64 1,-0.2 -1,-0.2 2,-0.1 69,-0.0 0.587 135.3 -58.5 71.0 11.2 10.0 9.4 17.4 41 42 A G T 3>5S+ 0 0 23 -3,-0.3 4,-2.2 3,-0.0 -1,-0.2 0.356 109.2 118.5 102.0 -1.3 9.6 7.1 14.4 42 43 A W H <>5S+ 0 0 9 -3,-1.1 4,-2.4 2,-0.2 -3,-0.2 0.831 70.5 55.8 -70.0 -37.2 6.3 8.5 13.1 43 44 A M H > S+ 0 0 108 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.913 110.3 58.6 -59.8 -43.1 8.9 6.1 9.0 45 46 A W H X S+ 0 0 5 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.918 103.9 50.6 -50.9 -54.3 5.6 4.6 10.4 46 47 A D H X S+ 0 0 49 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.903 113.7 44.2 -50.5 -48.8 3.6 6.5 7.8 47 48 A R H X S+ 0 0 82 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.886 114.4 49.8 -67.4 -39.1 5.7 5.2 4.9 48 49 A E H X S+ 0 0 70 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.897 106.4 54.6 -73.2 -39.2 5.8 1.6 6.3 49 50 A I H X S+ 0 0 1 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.941 113.0 44.6 -50.6 -49.0 2.0 1.6 6.7 50 51 A N H X S+ 0 0 82 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.900 112.2 51.9 -67.4 -42.6 1.8 2.6 3.0 51 52 A N H X S+ 0 0 84 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.929 114.9 40.5 -58.9 -49.7 4.5 0.0 1.9 52 53 A Y H X S+ 0 0 65 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.862 112.5 56.7 -69.9 -34.6 2.8 -2.9 3.6 53 54 A T H X S+ 0 0 16 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.917 110.4 43.2 -58.2 -47.7 -0.7 -1.8 2.6 54 55 A S H X S+ 0 0 75 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.893 113.3 53.2 -72.8 -31.6 0.3 -1.8 -1.1 55 56 A L H X S+ 0 0 64 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.952 109.5 48.2 -60.7 -46.6 2.1 -5.1 -0.6 56 57 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.928 109.3 52.7 -63.0 -45.0 -1.0 -6.7 0.9 57 58 A H H X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.884 110.1 49.0 -53.5 -44.0 -3.3 -5.4 -1.9 58 59 A S H X S+ 0 0 57 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.887 111.2 48.7 -64.0 -43.3 -1.0 -6.9 -4.4 59 60 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.928 111.3 50.6 -64.5 -44.2 -0.9 -10.3 -2.6 60 61 A I H X S+ 0 0 14 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.920 110.1 50.3 -55.8 -45.1 -4.8 -10.3 -2.3 61 62 A E H X S+ 0 0 123 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.948 112.1 46.7 -59.4 -49.5 -4.9 -9.6 -6.1 62 63 A E H X S+ 0 0 101 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.861 112.3 51.3 -56.0 -41.9 -2.5 -12.5 -6.8 63 64 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.906 107.6 52.0 -66.2 -41.7 -4.6 -14.7 -4.5 64 65 A Q H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.922 110.4 49.4 -57.2 -47.1 -7.8 -13.8 -6.3 65 66 A N H X S+ 0 0 94 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 112.5 45.6 -58.2 -48.6 -6.2 -14.8 -9.6 66 67 A Q H X S+ 0 0 31 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.863 110.6 55.9 -63.2 -33.0 -5.0 -18.1 -8.3 67 68 A Q H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.926 108.9 45.2 -67.0 -45.6 -8.4 -18.6 -6.8 68 69 A E H X S+ 0 0 39 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.928 112.8 52.5 -60.2 -46.0 -10.2 -18.1 -10.1 69 70 A K H X S+ 0 0 63 -4,-2.4 4,-0.6 1,-0.2 3,-0.2 0.941 110.6 46.8 -57.2 -46.7 -7.6 -20.4 -11.8 70 71 A N H >< S+ 0 0 8 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.875 110.2 52.9 -64.5 -37.3 -8.2 -23.2 -9.2 71 72 A E H >< S+ 0 0 87 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.814 106.8 52.8 -69.5 -29.7 -12.0 -22.9 -9.5 72 73 A Q H 3< S+ 0 0 162 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.606 111.9 47.2 -79.0 -8.8 -11.8 -23.3 -13.3 73 74 A E T X< S+ 0 0 111 -3,-0.8 3,-1.1 -4,-0.6 -1,-0.2 0.227 72.2 112.7-119.7 12.7 -9.8 -26.5 -12.9 74 75 A L T < S+ 0 0 91 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.732 78.7 51.6 -58.4 -28.7 -11.8 -28.4 -10.3 75 76 A L T 3 0 0 177 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.695 360.0 360.0 -88.6 -15.1 -12.8 -31.1 -12.7 76 77 A G < 0 0 100 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.726 360.0 360.0 -65.5 360.0 -9.2 -31.8 -13.9 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 80 A G > 0 0 85 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 43.0 -4.2 -30.1 -9.7 79 81 A G H > + 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.846 360.0 62.6 -59.4 -37.3 -2.4 -30.3 -6.3 80 82 A S H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.843 100.2 50.1 -66.4 -34.7 0.1 -27.6 -7.4 81 83 A G H > S+ 0 0 9 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.875 113.0 47.8 -66.2 -39.4 -2.5 -24.8 -7.8 82 84 A I H X S+ 0 0 33 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.889 113.6 46.6 -69.0 -40.5 -3.9 -25.6 -4.3 83 85 A V H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.869 111.9 52.1 -67.5 -37.3 -0.4 -25.7 -2.8 84 86 A Q H X S+ 0 0 95 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.897 107.5 51.5 -63.2 -45.3 0.4 -22.4 -4.6 85 87 A Q H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.880 105.7 56.4 -62.7 -36.6 -2.8 -20.8 -3.2 86 88 A Q H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.895 106.5 48.8 -61.1 -38.0 -1.7 -21.9 0.2 87 89 A N H X S+ 0 0 45 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.892 110.8 51.9 -66.8 -41.5 1.6 -20.0 -0.3 88 90 A N H X S+ 0 0 16 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.921 110.4 47.0 -60.2 -46.1 -0.4 -16.9 -1.4 89 91 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.918 112.2 50.8 -63.0 -43.0 -2.6 -17.0 1.7 90 92 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.937 109.5 49.5 -60.3 -50.6 0.5 -17.4 3.9 91 93 A R H X S+ 0 0 116 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.883 111.3 50.4 -54.1 -42.8 2.3 -14.5 2.4 92 94 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.901 110.3 49.7 -61.5 -41.3 -0.8 -12.3 2.8 93 95 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.890 110.7 49.5 -66.8 -40.3 -1.1 -13.3 6.4 94 96 A E H X S+ 0 0 55 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.895 111.8 48.4 -67.4 -39.4 2.6 -12.5 7.0 95 97 A A H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.900 111.3 50.3 -67.4 -42.3 2.2 -9.0 5.4 96 98 A Q H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.876 106.5 56.1 -61.9 -35.9 -0.9 -8.4 7.5 97 99 A Q H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.876 106.0 50.7 -62.9 -39.7 1.0 -9.4 10.6 98 100 A H H X S+ 0 0 89 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.905 111.9 47.1 -60.3 -42.9 3.6 -6.7 9.8 99 101 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 3,-0.3 0.941 111.6 51.1 -63.2 -46.9 0.9 -4.2 9.4 100 102 A L H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.905 107.7 52.1 -57.6 -43.5 -0.7 -5.3 12.6 101 103 A Q H X S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.864 107.9 53.3 -62.7 -33.5 2.6 -5.0 14.5 102 104 A L H X S+ 0 0 34 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.903 109.3 47.2 -68.3 -41.3 2.9 -1.4 13.1 103 105 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.880 110.3 53.1 -67.3 -33.9 -0.6 -0.5 14.5 104 106 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.931 109.4 49.3 -62.5 -46.1 0.4 -2.1 17.9 105 107 A W H X S+ 0 0 81 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.918 111.7 49.2 -58.7 -44.0 3.5 0.1 18.0 106 108 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 110.5 48.3 -64.7 -43.5 1.5 3.2 17.2 107 109 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.909 111.8 51.5 -65.3 -39.0 -1.2 2.5 19.8 108 110 A K H X S+ 0 0 59 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.868 109.2 49.0 -65.8 -39.0 1.6 1.9 22.4 109 111 A Q H X S+ 0 0 64 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.895 115.7 43.7 -65.9 -42.0 3.4 5.2 21.6 110 112 A L H >X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 3,-0.7 0.931 111.9 52.4 -70.2 -43.8 0.2 7.2 21.9 111 113 A Q H >X S+ 0 0 17 -4,-3.0 4,-2.6 1,-0.2 3,-0.9 0.911 104.7 56.3 -56.8 -46.9 -1.0 5.4 25.0 112 114 A A H 3< S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.742 105.6 53.2 -59.5 -27.5 2.3 6.1 26.8 113 115 A R H << S+ 0 0 163 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.773 124.8 19.5 -74.7 -30.7 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