==== 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 4DZU . 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 . 226 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 88.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 83.2 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 1 A S > 0 0 109 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 128.4 -18.2 4.6 20.8 2 2 A G H > + 0 0 20 2,-0.2 4,-2.4 3,-0.2 221,-0.1 0.794 360.0 54.4 -67.6 -30.3 -16.8 1.0 20.5 3 3 A I H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.988 111.2 41.7 -71.5 -57.4 -20.2 -0.5 20.3 4 4 A V H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.910 115.0 53.5 -49.1 -46.3 -21.4 1.7 17.4 5 5 A Q H X S+ 0 0 110 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.909 106.8 51.2 -58.4 -46.3 -17.9 1.2 15.8 6 6 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.880 107.0 54.3 -55.2 -40.3 -18.3 -2.6 16.1 7 7 A Q H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.904 109.2 48.9 -61.8 -38.8 -21.7 -2.3 14.4 8 8 A N H X S+ 0 0 37 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.898 108.3 52.3 -66.5 -43.7 -20.0 -0.5 11.6 9 9 A N H X S+ 0 0 11 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.861 113.0 45.6 -57.5 -36.7 -17.3 -3.2 11.3 10 10 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 112.1 49.4 -75.1 -49.3 -20.0 -5.9 11.0 11 11 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.895 112.0 49.5 -53.7 -45.8 -22.1 -4.0 8.5 12 12 A R H X S+ 0 0 86 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.807 109.3 51.6 -67.6 -31.3 -19.1 -3.4 6.4 13 13 A A H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.924 111.8 47.0 -66.1 -43.2 -18.0 -7.1 6.6 14 14 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.934 111.6 52.1 -61.6 -48.2 -21.5 -8.1 5.4 15 15 A E H X S+ 0 0 63 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.906 112.4 43.3 -52.8 -54.4 -21.4 -5.5 2.6 16 16 A A H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 3,-0.2 0.859 112.1 53.8 -65.3 -36.4 -18.1 -6.7 1.3 17 17 A Q H X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.884 103.7 58.4 -62.9 -36.2 -19.2 -10.4 1.7 18 18 A Q H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.827 106.4 47.0 -59.0 -36.7 -22.3 -9.4 -0.4 19 19 A H H X S+ 0 0 75 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.856 112.0 50.3 -73.4 -40.3 -20.0 -8.3 -3.3 20 20 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.958 110.7 49.8 -60.0 -48.2 -18.0 -11.5 -3.0 21 21 A L H X S+ 0 0 2 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.919 109.9 50.7 -56.2 -44.8 -21.3 -13.5 -3.1 22 22 A Q H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.894 106.4 55.5 -63.7 -39.0 -22.4 -11.5 -6.2 23 23 A L H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 107.7 48.6 -54.9 -42.2 -19.1 -12.3 -7.9 24 24 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.880 107.3 55.6 -68.6 -37.3 -19.7 -16.0 -7.3 25 25 A V H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.912 110.1 46.7 -60.2 -37.3 -23.2 -15.7 -8.7 26 26 A W H X S+ 0 0 46 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.901 110.2 50.9 -71.1 -45.4 -21.6 -14.3 -11.9 27 27 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.892 111.4 49.5 -61.4 -40.9 -18.9 -16.9 -12.1 28 28 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.954 109.1 52.1 -60.4 -50.5 -21.6 -19.6 -11.8 29 29 A K H X S+ 0 0 66 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.887 109.6 49.3 -53.7 -42.1 -23.7 -17.8 -14.6 30 30 A Q H X S+ 0 0 77 -4,-2.6 4,-1.7 2,-0.2 3,-0.2 0.952 113.7 45.8 -59.1 -50.0 -20.6 -17.9 -16.9 31 31 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.893 111.0 53.5 -60.8 -40.7 -20.0 -21.6 -16.2 32 32 A Q H X S+ 0 0 30 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.816 107.2 50.3 -67.4 -31.5 -23.7 -22.3 -16.6 33 33 A A H < S+ 0 0 74 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.839 114.5 45.7 -75.8 -32.8 -23.8 -20.6 -20.1 34 34 A R H < S+ 0 0 159 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.868 124.1 31.4 -74.2 -34.0 -20.8 -22.6 -21.2 35 35 A I H < S+ 0 0 26 -4,-2.3 -3,-0.2 -5,-0.1 2,-0.2 0.820 117.8 37.9 -96.7 -37.5 -22.0 -26.0 -19.8 36 36 A L < 0 0 42 -4,-2.2 70,-0.0 -5,-0.3 0, 0.0 -0.551 360.0 360.0-112.1 173.6 -25.8 -26.0 -20.1 37 37 A S 0 0 150 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.361 360.0 360.0-129.5 360.0 -28.6 -24.8 -22.4 38 ! 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 39 40 A S 0 0 85 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.5 -33.1 -25.0 -17.8 40 41 A G - 0 0 65 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.934 360.0 -27.2 69.4 48.5 -33.7 -27.9 -15.4 41 42 A G S > S+ 0 0 35 4,-0.0 4,-2.6 0, 0.0 -1,-0.2 0.244 116.9 105.2 97.4 -10.5 -34.2 -25.9 -12.2 42 43 A W H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.716 74.1 57.5 -75.2 -21.8 -32.1 -23.0 -13.4 43 44 A M H > S+ 0 0 149 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.948 111.9 41.0 -68.9 -50.5 -35.1 -20.8 -14.1 44 45 A E H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.942 112.6 56.3 -58.6 -50.1 -36.2 -21.1 -10.5 45 46 A W H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.942 107.2 49.4 -48.5 -53.8 -32.6 -20.8 -9.4 46 47 A D H X S+ 0 0 53 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.886 110.5 49.3 -51.7 -44.9 -32.3 -17.4 -11.2 47 48 A R H X S+ 0 0 122 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.879 112.6 48.9 -66.9 -35.5 -35.5 -16.1 -9.7 48 49 A E H X S+ 0 0 43 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.920 107.9 52.9 -68.9 -44.9 -34.3 -17.1 -6.3 49 50 A I H X S+ 0 0 2 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.956 112.5 46.2 -53.0 -51.6 -30.9 -15.5 -6.8 50 51 A N H X S+ 0 0 98 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.924 111.3 50.9 -57.5 -50.7 -32.7 -12.2 -7.7 51 52 A N H X S+ 0 0 78 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 114.6 42.1 -51.9 -51.7 -35.2 -12.4 -4.8 52 53 A Y H X S+ 0 0 53 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.898 112.4 55.0 -69.0 -36.0 -32.4 -12.9 -2.2 53 54 A T H X S+ 0 0 19 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.941 109.8 45.2 -64.0 -43.3 -30.2 -10.3 -3.8 54 55 A S H X S+ 0 0 70 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.914 113.7 50.8 -67.9 -36.7 -32.9 -7.6 -3.6 55 56 A L H X S+ 0 0 80 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.935 108.9 50.1 -65.9 -43.7 -33.7 -8.5 -0.0 56 57 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.943 109.5 52.4 -59.4 -44.8 -30.1 -8.4 1.1 57 58 A H H X S+ 0 0 91 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 109.5 49.4 -56.9 -43.6 -29.7 -4.9 -0.5 58 59 A S H X S+ 0 0 62 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.816 113.0 45.8 -63.0 -39.2 -32.8 -3.7 1.3 59 60 A L H X S+ 0 0 18 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.871 113.7 49.5 -71.9 -39.3 -31.5 -5.0 4.6 60 61 A I H X S+ 0 0 15 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.916 111.5 48.9 -62.9 -41.2 -28.1 -3.6 3.9 61 62 A E H X S+ 0 0 112 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.946 110.9 49.2 -66.8 -49.4 -29.5 -0.2 3.0 62 63 A E H X S+ 0 0 78 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.878 110.3 52.0 -52.6 -42.0 -31.7 -0.0 6.2 63 64 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.878 107.5 52.2 -66.8 -37.9 -28.6 -1.0 8.2 64 65 A Q H X S+ 0 0 57 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.924 108.4 51.7 -57.5 -45.5 -26.8 1.9 6.6 65 66 A N H >X S+ 0 0 82 -4,-2.4 4,-1.6 1,-0.2 3,-1.2 0.971 112.5 44.8 -51.0 -60.8 -29.7 4.2 7.6 66 67 A Q H 3X S+ 0 0 17 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.778 104.7 61.8 -57.7 -33.7 -29.5 3.0 11.2 67 68 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.3 0.819 105.5 49.7 -63.4 -30.6 -25.7 3.3 11.3 68 69 A E H X< S+ 0 0 105 -3,-1.2 3,-0.6 -4,-1.1 -2,-0.2 0.973 111.3 45.6 -73.4 -56.1 -26.1 7.0 10.6 69 70 A K H 3< S+ 0 0 166 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.938 112.6 52.6 -46.8 -53.7 -28.7 7.6 13.3 70 71 A N H 3< S+ 0 0 25 -4,-2.7 2,-0.3 7,-0.1 -1,-0.2 0.757 87.9 92.7 -61.1 -30.6 -26.7 5.7 15.9 71 72 A E << 0 0 89 -4,-1.1 -4,-0.0 -3,-0.6 0, 0.0 -0.529 360.0 360.0 -70.5 129.6 -23.5 7.6 15.3 72 73 A Q 0 0 227 -2,-0.3 -1,-0.1 -71,-0.0 -2,-0.0 -0.194 360.0 360.0-151.2 360.0 -23.2 10.5 17.8 73 ! 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 74 80 A G 0 0 137 0, 0.0 76,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.2 -31.7 4.7 24.8 75 81 A G >> + 0 0 36 79,-0.0 4,-1.3 2,-0.0 3,-0.6 0.063 360.0 112.8-157.1 21.5 -29.9 1.9 22.9 76 82 A S H 3> + 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.732 68.6 64.5 -74.7 -28.5 -32.9 0.5 20.9 77 83 A G H 3> S+ 0 0 21 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.713 103.5 49.5 -68.9 -22.6 -31.6 1.7 17.6 78 84 A I H <> S+ 0 0 16 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.873 109.3 48.8 -85.1 -35.3 -28.7 -0.6 18.0 79 85 A V H X S+ 0 0 5 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.942 113.6 49.7 -60.0 -45.7 -30.8 -3.6 18.9 80 86 A Q H X S+ 0 0 100 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.847 109.9 49.6 -59.5 -38.8 -32.9 -2.8 15.8 81 87 A Q H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.906 106.8 56.3 -68.3 -39.5 -29.8 -2.5 13.6 82 88 A Q H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.852 102.7 55.4 -59.4 -36.1 -28.7 -5.9 15.0 83 89 A N H X S+ 0 0 33 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.945 109.4 46.4 -62.1 -46.2 -31.9 -7.4 13.8 84 90 A N H X S+ 0 0 21 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.885 110.6 51.9 -66.9 -39.1 -31.2 -6.2 10.3 85 91 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.877 111.2 48.5 -59.5 -40.6 -27.6 -7.4 10.4 86 92 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.923 111.7 48.7 -65.9 -46.3 -28.8 -10.9 11.4 87 93 A R H X S+ 0 0 125 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.861 109.3 53.3 -58.8 -39.7 -31.5 -10.9 8.7 88 94 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.928 110.1 48.2 -60.8 -44.5 -28.8 -9.8 6.1 89 95 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 112.0 48.8 -63.4 -43.7 -26.6 -12.8 7.3 90 96 A E H X S+ 0 0 49 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.922 112.8 47.6 -60.6 -46.7 -29.6 -15.2 7.0 91 97 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 111.9 49.6 -61.5 -43.0 -30.4 -13.9 3.6 92 98 A Q H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.868 107.7 55.3 -62.0 -37.8 -26.8 -14.2 2.5 93 99 A Q H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.926 108.2 48.0 -61.3 -45.3 -26.7 -17.7 3.8 94 100 A H H X S+ 0 0 90 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.914 112.6 49.1 -57.8 -46.0 -29.7 -18.7 1.6 95 101 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.902 109.6 50.7 -64.3 -41.4 -28.0 -17.1 -1.3 96 102 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.919 106.8 55.1 -64.7 -36.4 -24.8 -18.9 -0.6 97 103 A Q H X S+ 0 0 57 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 105.4 54.2 -60.8 -39.5 -26.8 -22.2 -0.4 98 104 A L H X S+ 0 0 31 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.884 107.4 48.3 -59.3 -44.8 -28.1 -21.4 -3.9 99 105 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.844 108.9 54.7 -65.3 -34.3 -24.6 -21.0 -5.2 100 106 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.966 109.0 47.6 -61.1 -49.6 -23.7 -24.4 -3.6 101 107 A W H X S+ 0 0 93 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.896 113.1 50.4 -55.1 -43.0 -26.6 -26.0 -5.4 102 108 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.918 108.7 48.8 -62.8 -48.9 -25.4 -24.4 -8.6 103 109 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.934 112.0 51.1 -58.1 -43.0 -21.8 -25.5 -8.3 104 110 A K H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.897 107.8 51.7 -62.8 -39.6 -22.9 -29.1 -7.6 105 111 A Q H X S+ 0 0 79 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.930 116.2 40.3 -60.1 -48.5 -25.2 -29.2 -10.7 106 112 A L H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 3,-0.3 0.856 111.7 55.7 -71.0 -38.2 -22.4 -28.1 -12.9 107 113 A Q H >X S+ 0 0 21 -4,-2.9 4,-1.8 1,-0.2 3,-0.7 0.882 104.5 54.3 -64.5 -39.2 -19.7 -30.2 -11.3 108 114 A A H 3< S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 103.0 58.1 -64.7 -31.2 -21.7 -33.4 -11.9 109 115 A R H 3< S+ 0 0 162 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.770 123.8 17.1 -69.3 -24.7 -22.0 -32.6 -15.6 110 116 A I H << S+ 0 0 44 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.2 0.473 121.0 42.3-132.8 -4.4 -18.3 -32.5 -16.2 111 117 A L S < S- 0 0 40 -4,-1.8 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