==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-10 2X8Z . COMPND 2 MOLECULE: ANGIOTENSIN CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.AKIF,D.GEORGIADIS,A.MAHAJAN,V.DIVE,E.D.STURROCK,R.E.ISAAC, . 598 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 22 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 2 0 4 0 1 1 0 2 0 1 1 3 1 1 0 2 2 0 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 2 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 1 0 1 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 . 3 1 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 17 A A > 0 0 125 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 159.8 25.9 -31.6 -77.1 2 18 A L H > + 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.785 360.0 57.7 -72.8 -36.2 26.2 -27.9 -76.2 3 19 A V H > S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.923 112.4 42.1 -61.4 -45.6 23.0 -26.4 -77.7 4 20 A K H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.853 113.7 52.9 -69.2 -36.8 20.8 -28.7 -75.7 5 21 A E H X S+ 0 0 40 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.890 104.2 55.2 -66.9 -40.0 22.9 -28.3 -72.6 6 22 A E H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.830 107.6 50.3 -64.4 -33.9 22.7 -24.5 -72.7 7 23 A I H X S+ 0 0 100 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.928 112.9 46.2 -64.6 -47.0 18.9 -24.7 -72.8 8 24 A Q H X S+ 0 0 118 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.860 110.1 54.7 -62.5 -38.5 19.0 -27.0 -69.7 9 25 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.884 103.6 54.4 -63.0 -42.1 21.5 -24.7 -68.0 10 26 A K H X S+ 0 0 119 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.905 111.9 44.7 -58.5 -43.7 19.2 -21.7 -68.4 11 27 A E H X S+ 0 0 116 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.864 111.3 53.9 -67.5 -38.8 16.4 -23.7 -66.6 12 28 A Y H X S+ 0 0 52 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 109.9 47.5 -61.0 -42.2 18.9 -24.8 -64.0 13 29 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.893 106.6 56.2 -69.0 -42.1 19.9 -21.2 -63.2 14 30 A E H X S+ 0 0 112 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.929 114.0 39.8 -54.7 -49.4 16.3 -19.9 -63.0 15 31 A N H X S+ 0 0 98 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.902 115.7 50.7 -67.3 -44.5 15.5 -22.5 -60.3 16 32 A L H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.902 107.3 53.0 -63.6 -44.4 18.8 -22.2 -58.4 17 33 A N H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.941 110.4 48.0 -54.6 -48.6 18.6 -18.4 -58.2 18 34 A K H X S+ 0 0 134 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.876 112.7 49.3 -60.7 -39.1 15.2 -18.6 -56.7 19 35 A E H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.880 109.8 50.6 -66.3 -40.9 16.5 -21.3 -54.2 20 36 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.896 108.5 52.7 -64.7 -40.8 19.5 -19.1 -53.3 21 37 A A H X S+ 0 0 12 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.934 111.9 45.8 -57.7 -47.3 17.2 -16.1 -52.6 22 38 A K H X S+ 0 0 135 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.877 114.1 46.5 -67.1 -41.8 15.0 -18.2 -50.3 23 39 A R H X S+ 0 0 84 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.851 112.4 51.3 -67.7 -35.6 17.9 -19.8 -48.4 24 40 A T H X S+ 0 0 16 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.839 100.9 62.9 -72.2 -33.2 19.6 -16.4 -48.0 25 41 A N H X S+ 0 0 21 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.910 103.4 49.4 -53.0 -45.0 16.4 -14.9 -46.6 26 42 A V H X S+ 0 0 73 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.896 111.9 46.9 -63.9 -44.2 16.7 -17.4 -43.7 27 43 A E H X S+ 0 0 45 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.906 111.7 52.0 -63.0 -42.7 20.3 -16.4 -43.0 28 44 A T H X S+ 0 0 16 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.891 106.2 53.1 -63.1 -41.8 19.5 -12.7 -43.3 29 45 A E H X S+ 0 0 64 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.910 111.8 45.7 -59.9 -43.9 16.6 -13.0 -40.7 30 46 A A H X S+ 0 0 18 -4,-1.6 4,-1.5 2,-0.2 16,-0.3 0.852 113.7 49.0 -67.8 -36.0 19.0 -14.6 -38.2 31 47 A A H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.858 112.3 49.1 -69.9 -37.1 21.7 -12.0 -38.9 32 48 A W H X S+ 0 0 23 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.912 109.4 51.7 -64.6 -45.5 19.1 -9.3 -38.5 33 49 A A H X S+ 0 0 37 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.846 112.2 46.7 -61.4 -36.3 17.9 -10.8 -35.2 34 50 A Y H < S+ 0 0 2 -4,-1.5 3,-0.4 2,-0.2 -1,-0.2 0.902 111.5 48.9 -72.8 -44.4 21.4 -10.9 -33.9 35 51 A G H < S+ 0 0 6 -4,-2.1 284,-2.5 1,-0.2 3,-0.3 0.787 116.8 44.1 -64.8 -29.3 22.3 -7.3 -34.9 36 52 A S H < S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.601 130.9 20.6 -87.1 -16.0 19.1 -6.1 -33.3 37 53 A N S < S- 0 0 65 -4,-0.6 2,-0.6 -3,-0.4 -1,-0.2 -0.590 74.8-154.0-161.7 79.4 19.5 -8.2 -30.2 38 54 A I + 0 0 9 279,-2.3 279,-0.4 -3,-0.3 2,-0.3 -0.509 36.4 140.3 -70.4 110.0 23.0 -9.5 -29.2 39 55 A T > - 0 0 52 -2,-0.6 4,-2.4 277,-0.1 5,-0.2 -0.963 63.1-112.8-142.2 159.2 22.6 -12.7 -27.1 40 56 A D H > S+ 0 0 124 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.847 119.5 51.7 -58.2 -36.0 24.4 -16.0 -26.9 41 57 A E H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 111.1 45.4 -68.2 -45.4 21.3 -17.7 -28.3 42 58 A N H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.835 111.6 53.4 -67.0 -34.9 21.0 -15.3 -31.2 43 59 A E H X S+ 0 0 38 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.946 109.0 49.1 -61.0 -50.6 24.7 -15.7 -32.0 44 60 A K H X S+ 0 0 124 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.905 113.2 47.2 -54.7 -46.7 24.3 -19.5 -32.0 45 61 A K H X S+ 0 0 101 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.887 111.4 49.6 -66.4 -43.5 21.3 -19.3 -34.4 46 62 A K H X S+ 0 0 44 -4,-2.4 4,-1.8 -16,-0.3 -2,-0.2 0.937 115.0 44.0 -59.0 -49.1 23.0 -16.8 -36.8 47 63 A N H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.786 111.0 53.0 -72.4 -30.1 26.2 -18.9 -37.1 48 64 A E H X S+ 0 0 111 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.895 110.4 46.9 -72.2 -40.9 24.4 -22.3 -37.4 49 65 A I H X S+ 0 0 47 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.877 111.3 52.5 -65.6 -40.0 22.2 -21.1 -40.3 50 66 A S H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.917 107.6 51.5 -61.4 -45.6 25.3 -19.6 -42.0 51 67 A A H X S+ 0 0 34 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.861 109.8 50.9 -56.5 -40.0 27.1 -22.9 -41.7 52 68 A E H X S+ 0 0 119 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.902 111.4 46.0 -67.1 -43.9 24.1 -24.6 -43.4 53 69 A L H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.884 109.9 55.1 -66.1 -39.0 24.0 -22.1 -46.3 54 70 A A H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.902 105.1 53.4 -59.1 -42.5 27.8 -22.5 -46.7 55 71 A K H X S+ 0 0 121 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.877 110.1 47.8 -59.6 -40.6 27.4 -26.3 -47.0 56 72 A F H X S+ 0 0 23 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.871 107.1 55.6 -68.3 -39.9 24.8 -25.7 -49.8 57 73 A M H X S+ 0 0 42 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.884 104.3 55.0 -59.5 -41.6 27.1 -23.2 -51.6 58 74 A K H X S+ 0 0 71 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.900 108.0 48.5 -54.7 -46.5 29.8 -25.9 -51.7 59 75 A E H X S+ 0 0 107 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.893 111.7 50.2 -63.2 -41.9 27.4 -28.3 -53.4 60 76 A V H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.950 109.6 49.2 -60.7 -51.4 26.4 -25.6 -55.9 61 77 A A H X S+ 0 0 15 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.878 112.6 49.3 -57.7 -39.3 30.0 -24.8 -56.8 62 78 A S H >< S+ 0 0 72 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.882 108.0 54.4 -64.0 -41.3 30.6 -28.5 -57.3 63 79 A D H >< S+ 0 0 58 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.745 93.8 68.8 -66.9 -27.3 27.5 -28.8 -59.5 64 80 A T H >< S+ 0 0 5 -4,-1.6 3,-1.7 1,-0.3 5,-0.5 0.805 88.7 66.0 -61.3 -28.2 28.7 -26.0 -61.9 65 81 A T T << S+ 0 0 106 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.656 89.0 66.6 -69.1 -15.4 31.5 -28.4 -63.1 66 82 A K T < S+ 0 0 147 -3,-1.4 2,-0.4 -4,-0.2 -1,-0.3 0.590 95.3 69.9 -78.1 -13.0 28.7 -30.6 -64.5 67 83 A F S < S- 0 0 34 -3,-1.7 2,-1.6 -4,-0.2 3,-0.3 -0.902 79.0-138.1-109.0 137.1 28.0 -27.8 -67.0 68 84 A Q > + 0 0 104 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.302 47.5 154.3 -79.8 51.7 30.3 -26.8 -69.9 69 85 A W G > + 0 0 18 -2,-1.6 3,-1.6 -5,-0.5 -1,-0.2 0.786 60.7 60.3 -62.4 -32.7 29.5 -23.2 -69.0 70 86 A R G 3 S+ 0 0 180 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.699 103.0 56.1 -64.6 -18.9 32.7 -21.6 -70.4 71 87 A S G < S+ 0 0 62 -3,-2.0 -1,-0.3 -69,-0.0 -2,-0.2 0.485 85.3 116.1 -89.0 -5.9 31.7 -23.0 -73.8 72 88 A Y < - 0 0 6 -3,-1.6 -69,-0.1 -4,-0.3 -3,-0.0 -0.190 62.7-139.8 -72.4 158.4 28.3 -21.3 -73.9 73 89 A Q S S+ 0 0 167 -70,-0.0 2,-0.5 1,-0.0 -1,-0.1 0.834 79.6 84.7 -80.2 -37.3 27.1 -18.6 -76.4 74 90 A S > - 0 0 37 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.583 58.1-163.0 -78.7 118.1 25.3 -16.4 -73.8 75 91 A E H > S+ 0 0 136 -2,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.854 94.0 57.0 -61.5 -35.9 27.4 -13.9 -72.0 76 92 A D H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 107.9 44.2 -62.0 -49.0 24.5 -13.7 -69.5 77 93 A L H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.932 114.0 50.5 -63.2 -45.0 24.5 -17.4 -68.7 78 94 A K H X S+ 0 0 47 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.877 109.1 52.1 -59.2 -40.3 28.3 -17.5 -68.4 79 95 A R H X S+ 0 0 55 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 109.8 48.5 -64.6 -42.7 28.3 -14.5 -66.0 80 96 A Q H X S+ 0 0 13 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.917 111.5 49.2 -63.1 -46.6 25.7 -16.2 -63.7 81 97 A F H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.906 108.9 53.4 -59.8 -42.3 27.7 -19.4 -63.6 82 98 A K H >X S+ 0 0 91 -4,-2.2 3,-0.9 1,-0.2 4,-0.8 0.924 105.6 53.5 -59.5 -45.1 30.9 -17.5 -62.8 83 99 A A H >< S+ 0 0 41 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.866 106.9 53.6 -55.7 -38.5 29.2 -15.8 -59.9 84 100 A L H 3< S+ 0 0 6 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.696 100.0 60.2 -71.4 -22.4 28.2 -19.3 -58.6 85 101 A T H << S+ 0 0 45 -4,-1.0 2,-1.0 -3,-0.9 -1,-0.2 0.721 84.6 89.9 -76.7 -20.8 31.8 -20.6 -58.7 86 102 A K << + 0 0 78 -4,-0.8 -1,-0.1 -3,-0.6 4,-0.1 -0.684 49.2 168.3 -85.6 103.8 32.9 -17.9 -56.2 87 103 A L > - 0 0 34 -2,-1.0 3,-1.4 1,-0.2 -1,-0.2 0.759 11.6-174.6 -87.3 -30.6 32.5 -19.4 -52.7 88 104 A G G > S- 0 0 38 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.441 75.6 -7.8 62.3-136.0 34.3 -16.9 -50.5 89 105 A Y G > S+ 0 0 51 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.773 125.5 76.8 -60.8 -27.4 34.4 -18.2 -46.9 90 106 A A G < S+ 0 0 9 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.643 80.1 71.5 -59.2 -15.8 32.0 -21.1 -47.9 91 107 A A G < S+ 0 0 16 -3,-1.8 -1,-0.3 84,-0.1 -2,-0.2 0.669 78.9 100.3 -73.3 -18.3 35.1 -22.8 -49.5 92 108 A L S < S- 0 0 0 -3,-2.2 5,-0.1 -4,-0.2 83,-0.0 -0.330 87.9 -94.1 -65.8 148.8 36.5 -23.5 -46.0 93 109 A P > - 0 0 59 0, 0.0 4,-2.5 0, 0.0 5,-0.3 -0.258 44.8-101.3 -56.1 153.8 36.1 -27.0 -44.4 94 110 A E H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.849 122.0 43.8 -47.6 -49.0 33.1 -27.3 -42.1 95 111 A D H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 113.6 50.5 -67.9 -40.0 35.1 -26.9 -38.9 96 112 A D H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.845 110.6 49.7 -66.0 -37.5 37.2 -24.0 -40.2 97 113 A Y H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.885 110.1 50.9 -67.8 -39.8 34.1 -22.1 -41.3 98 114 A A H X S+ 0 0 40 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.886 110.5 48.9 -65.2 -40.6 32.5 -22.6 -37.9 99 115 A E H X S+ 0 0 72 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.884 110.4 51.4 -65.1 -40.4 35.6 -21.3 -36.2 100 116 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.912 109.1 50.6 -63.3 -43.8 35.7 -18.3 -38.5 101 117 A L H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.902 111.1 48.0 -58.4 -44.2 32.0 -17.5 -37.8 102 118 A D H X S+ 0 0 88 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.846 112.3 50.7 -65.9 -34.8 32.6 -17.7 -34.0 103 119 A T H X S+ 0 0 13 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.915 110.1 48.8 -67.3 -45.6 35.7 -15.4 -34.4 104 120 A L H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.893 113.1 45.7 -63.3 -43.8 33.7 -12.8 -36.4 105 121 A S H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.860 108.6 57.7 -70.4 -33.3 30.8 -12.6 -34.0 106 122 A A H X S+ 0 0 28 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.901 112.2 41.7 -59.0 -41.2 33.3 -12.4 -31.1 107 123 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.909 116.0 46.5 -74.6 -44.2 34.8 -9.3 -32.7 108 124 A E H X S+ 0 0 32 -4,-2.5 4,-2.0 375,-0.2 -2,-0.2 0.888 114.8 47.5 -66.5 -38.9 31.5 -7.6 -33.7 109 125 A S H X S+ 0 0 16 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.862 108.6 54.3 -73.2 -36.7 29.9 -8.3 -30.3 110 126 A N H < S+ 0 0 48 -4,-1.6 4,-0.4 -5,-0.3 -1,-0.2 0.943 111.3 46.2 -55.2 -50.1 33.0 -7.0 -28.5 111 127 A F H >< S+ 0 0 22 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.889 113.7 48.0 -59.5 -44.2 32.8 -3.7 -30.5 112 128 A A H 3< S+ 0 0 21 -4,-2.0 206,-0.3 1,-0.2 -1,-0.2 0.764 111.4 50.9 -71.1 -25.9 29.0 -3.4 -29.9 113 129 A K T 3< S+ 0 0 83 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.379 76.6 133.3 -94.8 2.9 29.3 -4.0 -26.2 114 130 A V < + 0 0 10 -3,-0.9 15,-0.5 -4,-0.4 2,-0.4 -0.346 28.0 174.4 -61.0 125.3 32.0 -1.4 -25.4 115 131 A K E -A 128 0A 78 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.999 8.3-167.3-132.6 137.0 31.2 0.7 -22.4 116 132 A V E -A 127 0A 1 11,-2.6 11,-1.9 -2,-0.4 2,-0.3 -0.809 24.5-105.0-120.7 163.5 33.5 3.3 -20.8 117 133 A a - 0 0 33 -2,-0.3 8,-0.3 8,-0.2 5,-0.2 -0.640 43.1 -97.5 -87.1 144.3 33.5 5.3 -17.5 118 134 A D - 0 0 35 6,-3.0 6,-0.1 3,-0.7 -1,-0.1 -0.326 25.0-133.5 -59.4 136.6 32.5 8.9 -17.4 119 135 A Y S S+ 0 0 84 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.842 107.3 33.1 -59.4 -38.5 35.5 11.3 -17.3 120 136 A K S S+ 0 0 161 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.558 125.4 43.8 -95.7 -12.9 34.1 13.4 -14.5 121 137 A D > - 0 0 75 3,-0.2 3,-1.7 1,-0.1 -3,-0.7 -0.781 59.5-173.1-140.5 91.4 32.3 10.5 -12.7 122 138 A S T 3 S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.433 85.2 61.5 -70.2 3.6 34.3 7.2 -12.4 123 139 A T T 3 S+ 0 0 116 1,-0.1 2,-1.0 -6,-0.0 -1,-0.3 0.662 86.1 77.1 -99.3 -19.3 31.3 5.5 -11.0 124 140 A K < + 0 0 95 -3,-1.7 -6,-3.0 -6,-0.1 3,-0.2 -0.793 54.6 160.2 -90.1 99.7 29.1 6.0 -14.0 125 141 A a + 0 0 58 -2,-1.0 -8,-0.2 -8,-0.3 -1,-0.1 -0.226 42.0 93.1-117.3 44.4 30.5 3.3 -16.4 126 142 A D + 0 0 89 -11,-0.1 2,-0.6 2,-0.1 -1,-0.2 0.014 44.5 132.9-126.0 26.6 27.7 2.8 -19.0 127 143 A L E -A 116 0A 9 -11,-1.9 -11,-2.6 -3,-0.2 2,-0.2 -0.719 37.5-163.4 -82.5 118.5 28.8 5.3 -21.7 128 144 A A E > -A 115 0A 8 -2,-0.6 5,-2.6 -13,-0.2 6,-0.3 -0.620 31.7-112.1 -96.2 160.6 28.6 3.6 -25.2 129 145 A L T >S+ 0 0 22 -15,-0.5 5,-2.6 1,-0.2 6,-0.3 0.945 99.2 76.6 -53.6 -50.6 30.2 4.9 -28.4 130 146 A D T 5S- 0 0 27 1,-0.2 -1,-0.2 3,-0.2 190,-0.0 -0.936 120.4 -16.8-110.8 113.2 26.8 5.6 -29.8 131 147 A P T >5S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 -0.999 134.2 50.8-103.5 -8.7 25.7 8.1 -28.6 132 148 A E H >5S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -3,-0.2 0.907 114.7 34.9 -60.3 -56.5 27.6 8.9 -25.4 133 149 A I H > - 0 0 71 1,-0.1 4,-2.6 2,-0.0 3,-0.3 -0.902 56.6-159.1-100.4 105.5 38.9 20.0 -23.8 143 159 A H H > S+ 0 0 67 -2,-0.8 4,-2.1 1,-0.2 -1,-0.1 0.802 89.0 50.4 -61.2 -32.2 41.9 18.2 -25.2 144 160 A E H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 111.1 48.6 -74.7 -36.6 42.5 16.2 -22.0 145 161 A E H > S+ 0 0 21 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.946 111.9 50.2 -62.0 -48.8 38.9 15.0 -21.9 146 162 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.903 110.6 49.3 -55.0 -45.2 39.1 14.1 -25.6 147 163 A A H X S+ 0 0 20 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.835 107.3 55.6 -66.1 -35.3 42.3 12.1 -25.0 148 164 A Y H X S+ 0 0 58 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.943 110.9 43.3 -60.1 -49.8 40.8 10.2 -22.1 149 165 A Y H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.856 111.8 54.9 -69.1 -34.9 37.9 9.0 -24.2 150 166 A W H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.954 111.1 43.8 -58.9 -53.2 40.2 8.1 -27.1 151 167 A R H X S+ 0 0 104 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.917 114.5 49.6 -61.9 -45.5 42.4 5.9 -25.0 152 168 A E H X S+ 0 0 48 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.928 114.3 44.6 -60.8 -46.7 39.5 4.2 -23.2 153 169 A F H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.5 0.955 114.4 46.2 -63.7 -51.9 37.7 3.4 -26.4 154 170 A Y H X>S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 5,-1.5 0.855 110.7 53.9 -62.4 -37.8 40.7 2.2 -28.4 155 171 A D H <>S+ 0 0 55 -4,-2.3 5,-0.9 -5,-0.3 -1,-0.2 0.876 119.1 34.5 -60.8 -38.9 41.9 -0.0 -25.5 156 172 A K H <5S+ 0 0 75 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.833 126.8 35.4 -87.9 -37.8 38.4 -1.7 -25.3 157 173 A A H <5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.743 132.2 24.5 -88.8 -26.5 37.3 -1.8 -29.0 158 174 A G T ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.5 -3,-0.2 0.873 121.7 38.6-101.3 -73.7 40.8 -2.4 -30.4 159 175 A T G > S+ 0 0 2 -3,-1.8 4,-2.8 313,-0.3 -1,-0.3 0.149 73.8 115.8-114.0 20.8 40.4 -8.4 -29.8 162 178 A R H <> S+ 0 0 46 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.926 79.4 46.9 -54.1 -52.3 44.0 -8.8 -31.0 163 179 A S H > S+ 0 0 81 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 114.2 47.8 -61.3 -40.9 44.1 -12.6 -30.7 164 180 A Q H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 110.6 52.0 -63.5 -43.3 40.7 -13.0 -32.4 165 181 A F H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.895 106.5 54.1 -61.1 -41.4 41.8 -10.7 -35.2 166 182 A E H X S+ 0 0 48 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.879 110.0 46.2 -57.9 -42.6 45.0 -12.8 -35.7 167 183 A R H X S+ 0 0 75 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.848 109.7 55.3 -71.0 -34.6 42.9 -15.9 -36.2 168 184 A Y H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.914 106.4 50.0 -62.4 -46.4 40.5 -14.1 -38.6 169 185 A V H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 111.0 50.9 -57.5 -45.4 43.5 -13.1 -40.8 170 186 A E H X S+ 0 0 88 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.912 115.4 40.2 -57.4 -47.9 44.6 -16.7 -40.9 171 187 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.841 112.4 54.9 -76.0 -35.0 41.2 -18.1 -41.8 172 188 A N H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.928 111.3 46.5 -57.7 -46.0 40.5 -15.3 -44.3 173 189 A T H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.902 111.4 50.5 -63.4 -44.5 43.8 -16.1 -46.0 174 190 A K H X S+ 0 0 96 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.903 111.6 48.8 -60.1 -42.5 43.0 -19.9 -46.0 175 191 A A H X S+ 0 0 2 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.922 110.0 51.0 -62.8 -47.3 39.6 -19.2 -47.5 176 192 A A H ><>S+ 0 0 3 -4,-2.4 5,-2.5 1,-0.2 3,-0.6 0.899 110.3 49.4 -56.9 -44.7 41.1 -16.9 -50.3 177 193 A K H ><5S+ 0 0 109 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.808 104.0 58.0 -69.5 -31.5 43.6 -19.6 -51.2 178 194 A L H 3<5S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 108.0 48.4 -67.3 -22.6 40.9 -22.3 -51.4 179 195 A N T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.322 122.9-113.7 -93.0 4.3 39.3 -20.0 -54.0 180 196 A N T < 5S+ 0 0 152 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.684 73.8 132.6 65.8 22.3 42.7 -19.7 -55.7 181 197 A F < - 0 0 47 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.713 65.8-123.1 -86.2 154.1 43.2 -16.0 -55.0 182 198 A T S S- 0 0 95 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.883 81.8 -27.6 -64.2 -39.8 46.6 -15.1 -53.5 183 199 A S S > S- 0 0 1 -7,-0.2 4,-1.7 -8,-0.0 3,-0.4 -0.923 76.5 -78.0-161.8 178.0 45.0 -13.5 -50.4 184 200 A G H > S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.714 122.4 66.1 -62.5 -22.8 41.9 -11.8 -49.1 185 201 A A H > S+ 0 0 0 252,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.952 104.8 42.4 -61.4 -49.6 43.1 -8.6 -50.8 186 202 A E H > S+ 0 0 47 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.856 111.1 56.6 -66.8 -37.2 42.7 -10.2 -54.2 187 203 A A H < S+ 0 0 29 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.931 111.8 42.2 -58.3 -47.4 39.4 -11.8 -53.2 188 204 A W H >< S+ 0 0 34 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.916 112.6 52.9 -64.4 -44.6 38.0 -8.3 -52.3 189 205 A L H >< S+ 0 0 18 -4,-2.5 3,-1.9 1,-0.3 5,-0.4 0.747 92.3 74.8 -66.9 -23.8 39.4 -6.7 -55.4 190 206 A D G >< S+ 0 0 41 -4,-1.6 3,-1.7 1,-0.3 -1,-0.3 0.801 82.0 70.5 -56.5 -30.5 37.8 -9.3 -57.6 191 207 A E G < S+ 0 0 112 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.673 93.1 57.1 -61.4 -18.8 34.4 -7.5 -57.0 192 208 A Y G < S- 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.456 94.8-144.1 -94.8 -2.2 35.7 -4.6 -59.2 193 209 A E < + 0 0 79 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.1 0.835 63.7 106.6 44.1 49.5 36.3 -6.8 -62.3 194 210 A D > - 0 0 51 -5,-0.4 3,-1.7 1,-0.0 4,-0.2 -0.825 58.4-155.1-160.8 113.0 39.4 -4.8 -63.3 195 211 A D T 3 S+ 0 0 156 1,-0.3 4,-0.1 -2,-0.3 3,-0.1 0.564 98.3 49.1 -71.8 -7.7 43.0 -6.0 -63.0 196 212 A T T 3> S+ 0 0 71 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.178 76.0 113.8-110.7 15.7 44.4 -2.4 -62.9 197 213 A F H <> S+ 0 0 3 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 0.872 74.4 50.2 -60.1 -43.0 41.9 -1.2 -60.2 198 214 A E H > S+ 0 0 65 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.2 47.3 -59.8 -48.0 44.5 -0.6 -57.5 199 215 A Q H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 108.2 56.6 -61.4 -38.0 46.7 1.4 -59.9 200 216 A Q H X S+ 0 0 43 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.913 109.8 44.7 -59.0 -45.3 43.7 3.4 -61.0 201 217 A L H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.890 110.1 54.4 -66.9 -42.1 43.0 4.5 -57.4 202 218 A E H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.926 110.8 47.6 -54.3 -46.4 46.6 5.3 -56.8 203 219 A D H X S+ 0 0 90 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.910 113.9 45.3 -63.0 -46.1 46.6 7.6 -59.8 204 220 A I H X S+ 0 0 14 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.929 113.2 50.8 -64.5 -44.8 43.3 9.3 -58.8 205 221 A F H X S+ 0 0 10 -4,-3.2 4,-2.1 1,-0.2 3,-0.4 0.902 105.6 56.1 -59.3 -41.7 44.5 9.7 -55.2 206 222 A A H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 105.9 52.0 -60.0 -34.2 47.8 11.3 -56.4 207 223 A D H < S+ 0 0 129 -4,-1.3 4,-0.3 -3,-0.3 -1,-0.2 0.804 116.4 38.2 -70.2 -31.7 45.8 13.9 -58.2 208 224 A I H >X S+ 0 0 13 -4,-1.3 4,-1.8 -3,-0.4 3,-0.6 0.662 95.1 85.7 -94.2 -19.2 43.7 14.9 -55.1 209 225 A R H 3X S+ 0 0 68 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.844 83.4 56.3 -54.3 -42.1 46.5 14.5 -52.6 210 226 A P H 3> S+ 0 0 75 0, 0.0 4,-1.5 0, 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56.1 -74.7 -22.7 27.7 3.2 -51.2 380 396 A A H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.4 -2,-0.2 0.798 86.3 76.2 -81.7 -32.2 27.4 6.1 -53.7 381 397 A V H >X S+ 0 0 2 -4,-1.3 4,-0.9 1,-0.2 3,-0.6 0.901 101.6 36.7 -50.5 -59.9 23.6 6.2 -54.4 382 398 A G H 3> S+ 0 0 0 -31,-0.5 4,-2.4 -4,-0.5 -1,-0.2 0.790 111.4 61.1 -66.7 -30.8 22.4 7.9 -51.2 383 399 A D H 3X S+ 0 0 15 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.778 96.6 60.6 -67.2 -29.0 25.5 10.2 -51.0 384 400 A V H X S+ 0 0 1 -4,-0.9 4,-2.6 1,-0.2 3,-0.8 0.913 110.0 57.8 -70.5 -43.1 21.2 12.9 -52.7 386 402 A S H 3X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.833 99.6 59.2 -54.9 -36.6 23.0 13.9 -49.5 387 403 A L H 3< S+ 0 0 2 -4,-1.9 4,-0.4 2,-0.2 -1,-0.3 0.867 110.9 41.4 -59.8 -38.3 25.2 16.3 -51.6 388 404 A S H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.8 6,-0.5 0.885 112.0 54.2 -74.0 -42.0 22.0 18.0 -52.7 389 405 A V H 3< S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 105.1 56.2 -60.3 -33.6 20.4 17.9 -49.2 390 406 A S T 3< S+ 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.634 85.5 104.7 -75.4 -18.2 23.5 19.6 -47.8 391 407 A T S <> S- 0 0 0 -3,-1.1 4,-2.4 -4,-0.4 5,-0.2 -0.318 78.0-127.4 -65.4 145.1 23.3 22.6 -50.1 392 408 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.894 110.8 63.0 -53.9 -39.1 22.1 26.0 -48.8 393 409 A K H > S+ 0 0 47 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.934 110.2 35.2 -49.6 -55.7 19.6 25.8 -51.8 394 410 A H H > S+ 0 0 11 -6,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.885 114.2 55.9 -69.8 -41.0 17.9 22.7 -50.4 395 411 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-1.4 0.802 106.5 51.6 -67.9 -28.9 18.1 23.5 -46.7 396 412 A E H ><5S+ 0 0 92 -4,-2.1 3,-1.4 4,-0.2 -1,-0.2 0.870 104.6 57.9 -68.4 -40.2 16.4 26.8 -47.2 397 413 A K H 3<5S+ 0 0 124 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 108.6 44.7 -56.7 -38.4 13.5 25.0 -49.1 398 414 A I T 3<5S- 0 0 47 -4,-1.4 -1,-0.3 3,-0.0 -2,-0.2 0.274 115.5-115.6 -96.6 10.8 12.8 22.8 -46.1 399 415 A G T < 5S+ 0 0 23 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.692 85.6 114.1 68.4 23.6 13.0 25.8 -43.7 400 416 A L S - 0 0 52 -2,-1.7 4,-1.9 1,-0.0 5,-0.1 -0.247 65.1 -83.9 -84.7-177.0 28.0 35.8 -50.8 408 424 A D H > S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.840 128.7 47.2 -56.4 -38.7 31.6 34.8 -51.8 409 425 A E H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -148,-0.2 0.879 109.1 51.8 -76.3 -40.7 32.7 34.2 -48.2 410 426 A A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.857 107.8 55.1 -61.0 -36.3 29.7 32.1 -47.3 411 427 A R H X S+ 0 0 70 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.912 107.0 48.7 -63.5 -44.1 30.4 29.9 -50.4 412 428 A I H X S+ 0 0 15 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.893 109.4 53.6 -62.2 -41.6 34.0 29.3 -49.3 413 429 A N H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.910 112.3 44.3 -55.7 -44.5 32.7 28.3 -45.8 414 430 A Q H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.895 113.4 48.8 -72.2 -42.8 30.3 25.8 -47.4 415 431 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.908 112.9 49.1 -60.4 -43.5 32.9 24.4 -49.8 416 432 A F H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.931 109.7 51.8 -62.3 -45.1 35.3 24.0 -46.9 417 433 A L H X S+ 0 0 19 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.920 111.1 46.7 -56.4 -48.8 32.7 22.3 -44.8 418 434 A T H >X S+ 0 0 10 -4,-2.5 4,-3.0 1,-0.2 3,-1.3 0.909 110.3 53.7 -58.7 -45.6 32.0 19.8 -47.6 419 435 A A H 3X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.3 4,-1.7 0.829 98.8 62.8 -60.0 -35.8 35.7 19.2 -48.1 420 436 A L H 3<5S+ 0 0 0 -4,-2.1 -169,-2.8 1,-0.2 -168,-0.3 0.716 116.5 32.1 -61.6 -23.5 36.1 18.4 -44.4 421 437 A D H <<5S+ 0 0 18 -3,-1.3 4,-0.4 -4,-0.6 -2,-0.2 0.788 130.1 32.6 -94.5 -42.9 33.8 15.5 -45.1 422 438 A K H <5S+ 0 0 21 -4,-3.0 4,-0.4 2,-0.1 -3,-0.2 0.855 124.4 32.6 -94.5 -39.8 34.7 14.6 -48.7 423 439 A I T ><5S+ 0 0 1 -4,-1.7 3,-1.1 -5,-0.2 -3,-0.2 0.902 116.6 54.4 -83.5 -45.7 38.4 15.2 -49.3 424 440 A V T 3> S+ 0 0 5 -4,-0.4 4,-3.0 -6,-0.3 -1,-0.3 0.755 88.9 75.5 -64.8 -28.9 37.9 11.0 -46.0 426 442 A L H <> S+ 0 0 6 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.930 98.1 39.8 -59.3 -54.5 39.9 9.9 -49.1 427 443 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.901 116.2 54.2 -62.6 -36.4 43.3 9.1 -47.5 428 444 A F H X S+ 0 0 3 -4,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.958 109.8 45.6 -56.7 -54.2 41.5 7.6 -44.5 429 445 A A H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.865 111.1 53.1 -59.2 -40.3 39.4 5.2 -46.6 430 446 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 3,-0.3 0.911 107.9 51.5 -62.2 -42.6 42.5 4.2 -48.7 431 447 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.807 97.8 65.4 -67.8 -32.0 44.5 3.3 -45.5 432 448 A M H X S+ 0 0 1 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.925 115.4 29.8 -56.1 -45.9 41.7 1.0 -44.0 433 449 A D H X S+ 0 0 0 -4,-1.0 4,-3.5 -3,-0.3 5,-0.3 0.844 113.7 61.0 -85.9 -32.6 42.2 -1.4 -46.9 434 450 A K H X S+ 0 0 33 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.913 109.2 47.7 -55.3 -40.8 45.9 -0.7 -47.6 435 451 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.977 115.2 41.3 -61.5 -58.5 46.4 -1.9 -44.0 436 452 A R H X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 5,-0.2 0.884 112.4 55.3 -63.0 -39.1 44.3 -5.1 -44.2 437 453 A W H X S+ 0 0 9 -4,-3.5 4,-2.7 1,-0.2 -252,-0.2 0.917 106.6 52.2 -55.3 -44.5 45.6 -5.9 -47.7 438 454 A S H <>S+ 0 0 16 -4,-1.8 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