==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-10 2X96 . 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) . 24429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 71.7 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 . 7 1.2 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 . 21 3.5 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 . 294 49.2 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 0 4 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 . 1 0 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 . 2 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 0 129 0, 0.0 4,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.7 25.9 -31.4 -10.5 2 18 A L H > + 0 0 75 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.760 360.0 63.3 -78.2 -30.3 26.2 -27.8 -9.2 3 19 A V H > S+ 0 0 116 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.940 109.2 41.5 -60.8 -48.4 23.1 -26.3 -10.8 4 20 A K H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.828 113.9 54.2 -67.2 -33.7 20.8 -28.5 -8.8 5 21 A E H X S+ 0 0 38 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.889 103.3 54.0 -70.4 -40.3 22.9 -28.1 -5.6 6 22 A E H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.838 107.8 52.0 -63.3 -34.2 22.8 -24.3 -5.7 7 23 A I H X S+ 0 0 103 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.926 112.1 45.5 -63.8 -46.5 19.0 -24.6 -5.8 8 24 A Q H X S+ 0 0 126 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.855 109.7 56.3 -63.2 -37.8 19.1 -26.9 -2.7 9 25 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.865 101.8 55.6 -63.0 -40.1 21.6 -24.6 -1.0 10 26 A K H X S+ 0 0 121 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.899 110.5 45.2 -59.8 -43.1 19.2 -21.6 -1.3 11 27 A E H X S+ 0 0 121 -4,-1.3 4,-2.0 2,-0.2 5,-0.2 0.855 110.3 55.0 -68.8 -37.0 16.5 -23.6 0.5 12 28 A Y H X S+ 0 0 48 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 111.2 44.7 -59.2 -45.4 19.0 -24.7 3.1 13 29 A L H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.895 109.2 55.2 -68.2 -42.8 20.0 -21.1 3.9 14 30 A E H X S+ 0 0 119 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.923 115.2 38.9 -56.8 -48.2 16.4 -19.9 4.0 15 31 A N H X S+ 0 0 96 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.907 116.4 50.8 -68.4 -44.9 15.5 -22.5 6.6 16 32 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.889 105.9 54.4 -64.1 -42.8 18.7 -22.2 8.6 17 33 A N H X S+ 0 0 8 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.927 109.6 48.6 -56.6 -45.1 18.6 -18.4 8.8 18 34 A K H X S+ 0 0 135 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.874 111.6 49.7 -61.9 -39.7 15.1 -18.6 10.4 19 35 A E H X S+ 0 0 80 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.873 109.4 51.9 -65.8 -38.8 16.4 -21.3 12.8 20 36 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.888 107.9 50.8 -66.5 -40.8 19.4 -19.1 13.8 21 37 A A H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.935 113.0 46.7 -59.3 -46.0 17.1 -16.1 14.5 22 38 A K H X S+ 0 0 132 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.884 114.8 45.2 -67.1 -41.8 14.9 -18.2 16.7 23 39 A R H X S+ 0 0 86 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.862 113.8 49.7 -68.6 -38.0 17.9 -19.8 18.6 24 40 A T H X S+ 0 0 13 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.847 101.6 63.6 -71.7 -33.9 19.6 -16.5 19.0 25 41 A N H X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.903 103.6 48.6 -50.1 -46.2 16.3 -15.0 20.4 26 42 A V H X S+ 0 0 73 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.894 112.5 46.8 -64.1 -44.4 16.6 -17.4 23.3 27 43 A E H X S+ 0 0 46 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.914 112.3 50.9 -62.8 -43.8 20.3 -16.5 24.0 28 44 A T H X S+ 0 0 16 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.859 107.2 53.6 -64.8 -37.1 19.5 -12.8 23.8 29 45 A E H X S+ 0 0 59 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.904 110.4 46.3 -63.6 -43.0 16.6 -13.2 26.2 30 46 A A H X S+ 0 0 20 -4,-1.7 4,-1.5 2,-0.2 16,-0.3 0.833 113.3 49.6 -67.7 -35.1 18.9 -14.8 28.8 31 47 A A H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.858 110.6 50.6 -70.4 -38.1 21.5 -12.2 28.2 32 48 A W H X S+ 0 0 25 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 109.4 50.6 -62.5 -46.2 18.9 -9.4 28.6 33 49 A A H X S+ 0 0 39 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.849 112.8 46.2 -62.6 -37.6 17.7 -11.0 31.9 34 50 A Y H < S+ 0 0 2 -4,-1.5 3,-0.4 8,-0.2 -1,-0.2 0.903 111.9 49.6 -71.7 -44.3 21.2 -11.1 33.3 35 51 A G H < S+ 0 0 6 -4,-2.2 284,-2.4 1,-0.2 3,-0.3 0.809 115.7 44.7 -63.4 -31.6 22.2 -7.6 32.2 36 52 A S H < S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.624 130.8 20.8 -84.1 -18.2 19.0 -6.3 33.9 37 53 A N S < S- 0 0 64 -4,-0.7 2,-0.7 -3,-0.4 -1,-0.3 -0.647 74.8-152.9-159.3 84.7 19.4 -8.4 37.0 38 54 A I + 0 0 7 279,-2.4 279,-0.4 -3,-0.3 2,-0.3 -0.546 37.0 142.3 -71.5 107.6 22.9 -9.7 37.9 39 55 A T > - 0 0 52 -2,-0.7 4,-2.3 277,-0.1 5,-0.1 -0.950 61.8-115.4-137.6 159.6 22.5 -12.9 39.9 40 56 A D H > S+ 0 0 125 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.858 118.7 52.6 -60.3 -36.2 24.4 -16.2 40.1 41 57 A E H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 111.0 44.8 -65.9 -46.5 21.3 -17.9 38.8 42 58 A N H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.834 111.1 54.5 -67.5 -34.4 20.9 -15.6 35.8 43 59 A E H X S+ 0 0 40 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.957 109.3 47.7 -59.4 -52.5 24.7 -15.9 35.1 44 60 A K H X S+ 0 0 125 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.902 113.4 48.1 -54.6 -47.1 24.3 -19.7 35.0 45 61 A K H X S+ 0 0 104 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.904 111.8 48.7 -62.8 -46.3 21.3 -19.4 32.7 46 62 A K H X S+ 0 0 46 -4,-2.5 4,-1.8 -16,-0.3 -2,-0.2 0.942 115.0 44.2 -58.2 -51.1 22.9 -17.0 30.3 47 63 A N H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.786 111.2 53.2 -69.6 -30.6 26.1 -19.0 29.9 48 64 A E H X S+ 0 0 106 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.891 109.3 47.9 -73.2 -39.9 24.4 -22.4 29.6 49 65 A I H X S+ 0 0 47 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.889 111.1 52.0 -65.7 -40.1 22.1 -21.2 26.7 50 66 A S H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.905 107.0 52.6 -61.9 -43.0 25.2 -19.7 25.0 51 67 A A H X S+ 0 0 36 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.857 109.7 50.4 -58.6 -37.8 27.0 -23.0 25.3 52 68 A E H X S+ 0 0 124 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.892 111.0 46.7 -68.2 -43.4 24.0 -24.7 23.6 53 69 A L H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.882 109.1 55.6 -66.8 -38.6 24.0 -22.2 20.7 54 70 A A H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 105.0 53.3 -58.6 -41.8 27.7 -22.6 20.3 55 71 A K H X S+ 0 0 148 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.877 110.0 47.3 -60.8 -41.2 27.2 -26.4 19.9 56 72 A F H X S+ 0 0 22 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.871 108.2 55.4 -67.7 -39.5 24.6 -25.8 17.2 57 73 A M H X S+ 0 0 37 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.878 103.7 55.2 -61.4 -39.9 27.0 -23.3 15.4 58 74 A K H X S+ 0 0 71 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.910 108.6 47.9 -56.1 -46.0 29.7 -26.0 15.3 59 75 A E H X S+ 0 0 117 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.879 111.1 51.6 -63.4 -39.9 27.2 -28.3 13.5 60 76 A V H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.952 109.9 47.7 -60.7 -52.0 26.3 -25.5 11.1 61 77 A A H X S+ 0 0 17 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.862 112.4 51.0 -58.5 -38.5 29.9 -24.8 10.2 62 78 A S H >< S+ 0 0 71 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.915 107.8 52.6 -62.5 -45.7 30.4 -28.5 9.7 63 79 A D H >< S+ 0 0 33 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.735 94.2 70.2 -64.4 -26.9 27.4 -28.7 7.4 64 80 A T H >< S+ 0 0 4 -4,-1.5 3,-1.4 1,-0.3 5,-0.5 0.809 89.0 64.4 -61.6 -28.4 28.7 -25.9 5.2 65 81 A T T << S+ 0 0 103 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.613 90.0 66.6 -70.9 -13.6 31.4 -28.3 3.9 66 82 A K T < S+ 0 0 135 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 0.597 95.0 69.1 -80.3 -13.8 28.7 -30.5 2.4 67 83 A F S < S- 0 0 32 -3,-1.4 2,-1.6 -4,-0.3 3,-0.3 -0.902 79.7-138.1-107.6 136.4 27.9 -27.6 -0.0 68 84 A Q > + 0 0 101 -2,-0.4 3,-2.2 1,-0.2 4,-0.3 -0.293 46.7 155.3 -81.2 52.1 30.3 -26.6 -2.8 69 85 A W G > + 0 0 20 -2,-1.6 3,-1.6 -5,-0.5 -1,-0.2 0.775 61.0 60.9 -61.3 -33.1 29.5 -23.0 -2.0 70 86 A R G 3 S+ 0 0 180 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.694 102.9 55.8 -63.7 -18.2 32.8 -21.5 -3.3 71 87 A S G < S+ 0 0 65 -3,-2.2 -1,-0.3 -69,-0.0 -2,-0.2 0.465 85.3 117.8 -91.0 -4.2 31.7 -22.9 -6.7 72 88 A Y < - 0 0 6 -3,-1.6 -69,-0.1 -4,-0.3 -3,-0.0 -0.211 61.8-141.1 -72.5 155.5 28.3 -21.1 -6.8 73 89 A Q S S+ 0 0 167 1,-0.0 2,-0.6 -70,-0.0 -1,-0.1 0.832 80.4 84.8 -77.2 -36.0 27.1 -18.5 -9.4 74 90 A S > - 0 0 36 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.602 57.7-164.7 -80.3 115.7 25.3 -16.4 -6.8 75 91 A E H > S+ 0 0 136 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.858 93.5 56.3 -59.8 -37.5 27.4 -13.9 -4.9 76 92 A D H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 108.1 45.1 -61.9 -48.3 24.6 -13.6 -2.4 77 93 A L H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 113.8 49.9 -63.1 -44.2 24.5 -17.3 -1.6 78 94 A K H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.894 109.0 52.6 -59.5 -41.6 28.3 -17.4 -1.4 79 95 A R H X S+ 0 0 54 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.889 110.0 48.2 -63.8 -40.4 28.3 -14.4 1.0 80 96 A Q H X S+ 0 0 13 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.915 112.1 48.3 -65.3 -46.1 25.7 -16.1 3.3 81 97 A F H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.901 109.5 52.9 -62.3 -41.3 27.7 -19.4 3.4 82 98 A K H >X S+ 0 0 95 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.924 106.6 53.4 -59.8 -43.9 30.9 -17.5 4.1 83 99 A A H >< S+ 0 0 40 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.850 106.6 53.0 -57.5 -37.4 29.2 -15.8 7.1 84 100 A L H 3< S+ 0 0 5 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.741 99.8 61.3 -72.3 -25.2 28.2 -19.2 8.4 85 101 A T H << S+ 0 0 42 -4,-1.2 2,-1.1 -3,-0.6 -1,-0.2 0.706 83.9 90.9 -72.9 -19.1 31.7 -20.6 8.4 86 102 A K << + 0 0 76 -4,-0.7 -1,-0.1 -3,-0.6 4,-0.1 -0.664 46.9 164.9 -87.1 97.2 32.8 -17.8 10.8 87 103 A L > - 0 0 35 -2,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.742 13.2-176.6 -83.8 -28.4 32.3 -19.4 14.3 88 104 A G G > S- 0 0 37 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 -0.400 75.7 -4.5 57.8-134.5 34.3 -16.9 16.4 89 105 A Y G > S+ 0 0 56 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.768 125.6 74.9 -56.9 -29.2 34.3 -18.1 20.1 90 106 A A G < S+ 0 0 9 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.611 81.0 71.6 -62.2 -12.7 32.0 -21.0 19.1 91 107 A A G < S+ 0 0 17 -3,-2.0 -1,-0.3 84,-0.1 -2,-0.2 0.663 78.8 101.6 -75.2 -17.1 35.0 -22.7 17.5 92 108 A L S < S- 0 0 0 -3,-2.1 5,-0.1 -4,-0.2 83,-0.0 -0.334 87.7 -93.8 -66.5 147.6 36.4 -23.4 21.0 93 109 A P > - 0 0 58 0, 0.0 4,-2.8 0, 0.0 5,-0.3 -0.262 45.2-101.8 -54.1 150.9 36.1 -26.9 22.6 94 110 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.851 121.6 43.7 -45.5 -51.4 33.1 -27.2 24.8 95 111 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 113.9 50.1 -64.9 -43.3 35.1 -26.9 28.1 96 112 A D H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.880 110.8 50.1 -62.8 -41.1 37.2 -23.9 26.8 97 113 A Y H X S+ 0 0 23 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.909 110.4 49.5 -63.1 -44.0 34.1 -22.1 25.6 98 114 A A H X S+ 0 0 39 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.877 110.9 50.2 -62.7 -39.3 32.4 -22.6 29.0 99 115 A E H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.884 109.4 51.5 -65.5 -40.1 35.5 -21.3 30.7 100 116 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.925 109.2 49.3 -62.9 -46.1 35.6 -18.2 28.4 101 117 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.883 111.6 49.5 -60.1 -39.8 31.9 -17.4 29.2 102 118 A D H X S+ 0 0 90 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.879 111.9 49.0 -65.3 -39.5 32.6 -17.7 32.9 103 119 A T H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.904 111.6 49.2 -65.4 -43.7 35.6 -15.4 32.5 104 120 A L H X S+ 0 0 33 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.904 112.2 45.8 -64.5 -45.5 33.6 -12.9 30.6 105 121 A S H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.870 109.2 57.3 -68.0 -34.8 30.7 -12.7 33.0 106 122 A A H X S+ 0 0 27 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.901 111.4 42.5 -59.2 -42.6 33.2 -12.5 35.9 107 123 A M H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 115.8 47.0 -72.3 -43.7 34.7 -9.3 34.3 108 124 A E H X S+ 0 0 31 -4,-2.4 4,-2.2 375,-0.2 -2,-0.2 0.918 114.3 47.4 -64.6 -43.0 31.4 -7.7 33.3 109 125 A S H X S+ 0 0 17 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.881 109.5 53.7 -68.0 -38.2 29.9 -8.3 36.8 110 126 A N H X S+ 0 0 47 -4,-1.7 4,-0.5 -5,-0.3 3,-0.2 0.949 110.9 46.8 -56.4 -50.6 33.0 -7.0 38.5 111 127 A F H >< S+ 0 0 17 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.902 114.1 47.2 -57.0 -45.8 32.7 -3.8 36.5 112 128 A A H 3< S+ 0 0 22 -4,-2.2 206,-0.3 1,-0.2 -1,-0.2 0.766 111.4 50.8 -70.5 -27.4 29.0 -3.4 37.2 113 129 A K H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.415 76.9 132.3 -93.7 0.8 29.3 -4.1 41.0 114 130 A V << + 0 0 10 -3,-0.8 15,-0.5 -4,-0.5 2,-0.4 -0.327 28.6 173.6 -58.2 125.2 32.1 -1.5 41.6 115 131 A K - 0 0 77 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.998 9.0-167.4-133.9 137.8 31.3 0.7 44.6 116 132 A V B -A 127 0A 1 11,-2.5 11,-1.9 -2,-0.4 2,-0.3 -0.805 25.0-104.2-120.5 164.6 33.6 3.2 46.2 117 133 A a - 0 0 34 -2,-0.3 8,-0.3 8,-0.2 5,-0.2 -0.659 43.7 -96.4 -87.9 143.9 33.5 5.2 49.5 118 134 A D - 0 0 38 6,-3.2 3,-0.3 3,-0.7 -1,-0.1 -0.288 26.8-130.1 -55.5 137.6 32.6 8.9 49.6 119 135 A Y S S+ 0 0 79 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.829 109.1 33.0 -58.6 -36.0 35.6 11.2 49.6 120 136 A K S S+ 0 0 155 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.472 123.4 46.7-101.1 -6.3 34.2 13.1 52.6 121 137 A D > - 0 0 74 -3,-0.3 -3,-0.7 3,-0.2 3,-0.7 -0.793 54.1-173.9-145.0 95.0 32.6 10.2 54.4 122 138 A S T 3 S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.531 87.7 63.7 -67.9 -5.6 34.4 6.9 54.8 123 139 A T T 3 S+ 0 0 122 1,-0.1 2,-1.0 -6,-0.0 -1,-0.2 0.879 88.0 71.8 -79.9 -44.6 31.2 5.4 56.2 124 140 A K < + 0 0 102 -3,-0.7 -6,-3.2 1,-0.1 -3,-0.2 -0.645 54.7 158.2 -81.0 102.4 29.2 5.9 53.0 125 141 A a + 0 0 55 -2,-1.0 -8,-0.2 -8,-0.3 -1,-0.1 -0.235 41.8 94.9-121.9 44.4 30.6 3.2 50.6 126 142 A D + 0 0 92 -11,-0.1 2,-0.6 2,-0.1 -9,-0.1 -0.004 44.3 133.2-124.2 27.0 27.7 2.8 48.0 127 143 A L B -A 116 0A 9 -11,-1.9 -11,-2.5 -3,-0.2 2,-0.2 -0.724 36.6-164.9 -83.3 117.0 28.8 5.2 45.3 128 144 A A > - 0 0 10 -2,-0.6 5,-2.7 -13,-0.2 6,-0.3 -0.615 32.6-112.9 -94.7 160.5 28.6 3.5 41.8 129 145 A L T >S+ 0 0 21 -15,-0.5 5,-2.6 1,-0.2 6,-0.3 0.946 99.9 76.8 -53.3 -51.1 30.2 4.8 38.6 130 146 A D T 5S- 0 0 27 1,-0.2 -1,-0.2 3,-0.2 190,-0.0 -0.931 120.6 -16.7-108.8 111.7 26.7 5.5 37.2 131 147 A P T >5S+ 0 0 30 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 -0.998 134.5 49.3-104.9 -10.9 25.7 7.9 38.5 132 148 A E H >5S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -3,-0.2 0.903 115.2 35.4 -61.5 -55.6 27.7 8.9 41.6 133 149 A I H > - 0 0 69 1,-0.1 4,-2.7 2,-0.0 5,-0.2 -0.894 56.4-159.3 -97.8 104.3 38.9 19.9 43.3 143 159 A H H > S+ 0 0 67 -2,-0.8 4,-1.9 1,-0.2 -1,-0.1 0.799 88.7 49.4 -60.3 -32.6 41.9 18.1 41.8 144 160 A E H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 111.3 49.0 -73.8 -38.8 42.6 16.0 45.0 145 161 A E H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.938 112.2 49.8 -60.1 -48.0 38.9 14.9 45.1 146 162 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 110.6 49.2 -56.1 -43.4 39.1 14.0 41.4 147 163 A A H X S+ 0 0 19 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.862 107.5 55.6 -68.0 -37.2 42.4 12.0 42.0 148 164 A Y H X S+ 0 0 58 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 111.1 43.0 -58.4 -49.7 40.8 10.1 44.9 149 165 A Y H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.862 111.8 55.5 -68.8 -36.4 37.9 8.9 42.8 150 166 A W H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.958 111.9 42.3 -55.9 -54.6 40.2 8.1 39.9 151 167 A R H X S+ 0 0 101 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.917 114.1 51.1 -63.2 -45.1 42.4 5.8 42.1 152 168 A E H X S+ 0 0 48 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.927 114.7 43.1 -58.9 -46.5 39.5 4.2 43.9 153 169 A F H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.940 114.1 47.5 -67.3 -50.0 37.7 3.3 40.6 154 170 A Y H X>S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 5,-1.5 0.871 110.5 53.4 -61.9 -38.5 40.7 2.1 38.6 155 171 A D H <>S+ 0 0 55 -4,-2.2 5,-1.1 -5,-0.3 -1,-0.2 0.883 118.6 35.7 -60.9 -38.9 41.9 -0.1 41.5 156 172 A K H <5S+ 0 0 76 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.844 126.3 34.8 -86.5 -38.3 38.4 -1.8 41.7 157 173 A A H <5S+ 0 0 0 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.733 132.0 25.5 -90.2 -25.3 37.4 -1.9 38.0 158 174 A G T ><5S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.4 -3,-0.2 0.871 122.6 37.0-100.1 -74.0 40.8 -2.5 36.6 159 175 A T G > S+ 0 0 1 -3,-1.7 4,-2.8 313,-0.2 -1,-0.3 0.114 73.3 116.7-113.5 22.6 40.4 -8.5 37.3 162 178 A R H <> S+ 0 0 49 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.927 79.4 47.2 -54.6 -51.5 44.0 -8.9 36.0 163 179 A S H > S+ 0 0 84 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 113.7 48.4 -62.2 -38.6 44.0 -12.7 36.3 164 180 A Q H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 110.9 50.4 -65.3 -45.0 40.6 -13.0 34.5 165 181 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.901 108.1 54.0 -59.9 -41.9 41.7 -10.7 31.7 166 182 A E H X S+ 0 0 49 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.903 110.6 44.9 -57.6 -46.3 44.9 -12.8 31.3 167 183 A R H X S+ 0 0 76 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.856 110.6 55.7 -66.6 -36.2 42.8 -16.0 30.8 168 184 A Y H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.923 106.0 50.4 -60.5 -46.6 40.5 -14.1 28.5 169 185 A V H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.910 110.9 50.4 -57.8 -44.0 43.4 -13.0 26.2 170 186 A E H X S+ 0 0 95 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.920 115.0 41.2 -60.4 -47.7 44.5 -16.7 26.1 171 187 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.854 112.2 54.8 -73.6 -35.6 41.1 -18.1 25.2 172 188 A N H X S+ 0 0 4 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.916 111.2 46.5 -58.8 -44.6 40.4 -15.2 22.7 173 189 A T H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.921 110.8 51.3 -63.6 -46.8 43.7 -16.1 21.0 174 190 A K H X S+ 0 0 92 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.888 111.3 49.0 -58.2 -40.3 42.9 -19.8 21.0 175 191 A A H X S+ 0 0 2 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.918 109.9 50.2 -65.3 -47.1 39.5 -19.1 19.4 176 192 A A H ><>S+ 0 0 3 -4,-2.2 5,-2.7 1,-0.2 3,-0.5 0.905 110.7 49.8 -58.0 -44.7 41.0 -16.8 16.7 177 193 A K H ><5S+ 0 0 109 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.825 104.6 57.4 -67.2 -32.9 43.5 -19.5 15.7 178 194 A L H 3<5S+ 0 0 86 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.750 108.3 47.8 -67.4 -24.2 40.8 -22.2 15.5 179 195 A N T <<5S- 0 0 35 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.285 123.8-112.8 -92.4 6.7 39.2 -19.9 12.9 180 196 A N T < 5S+ 0 0 150 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.701 73.4 134.2 63.7 25.1 42.7 -19.6 11.3 181 197 A F < - 0 0 52 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.716 65.2-123.4 -87.5 153.6 43.2 -15.9 12.1 182 198 A T S S- 0 0 95 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.899 82.7 -29.1 -63.8 -40.5 46.6 -15.0 13.4 183 199 A S S > S- 0 0 1 -7,-0.2 4,-1.9 -8,-0.0 3,-0.3 -0.921 75.4 -77.2-160.6-179.8 45.0 -13.5 16.5 184 200 A G H > S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.734 122.9 65.0 -61.8 -26.0 41.9 -11.8 17.9 185 201 A A H > S+ 0 0 0 252,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.957 105.9 42.0 -58.1 -51.2 43.1 -8.6 16.2 186 202 A E H > S+ 0 0 48 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.855 111.6 56.3 -67.6 -35.8 42.7 -10.2 12.8 187 203 A A H < S+ 0 0 28 -4,-1.9 4,-0.4 2,-0.2 3,-0.2 0.936 111.4 42.9 -60.0 -47.3 39.4 -11.7 13.9 188 204 A W H >< S+ 0 0 32 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.925 112.4 53.2 -62.3 -45.4 38.0 -8.2 14.8 189 205 A L H >< S+ 0 0 19 -4,-2.5 3,-1.9 1,-0.3 5,-0.4 0.730 91.5 75.3 -66.3 -22.8 39.4 -6.6 11.6 190 206 A D G >< S+ 0 0 39 -4,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.782 81.9 70.5 -58.0 -28.7 37.7 -9.2 9.5 191 207 A E G < S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.649 93.2 56.4 -64.5 -16.5 34.4 -7.4 10.1 192 208 A Y G < S- 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.455 94.5-144.4 -97.4 -2.5 35.7 -4.5 7.9 193 209 A E < + 0 0 75 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.1 0.843 62.3 109.5 44.2 50.9 36.3 -6.7 4.8 194 210 A D > - 0 0 49 -5,-0.4 3,-1.8 1,-0.1 4,-0.2 -0.812 57.8-154.9-160.5 111.0 39.4 -4.8 3.7 195 211 A D T 3 S+ 0 0 158 1,-0.3 3,-0.1 -2,-0.3 4,-0.1 0.612 99.1 46.9 -67.8 -12.1 43.0 -6.0 3.9 196 212 A T T 3> S+ 0 0 69 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.152 76.6 115.4-110.1 18.4 44.3 -2.4 4.1 197 213 A F H <> S+ 0 0 3 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 0.884 74.0 50.0 -60.1 -44.3 41.9 -1.2 6.8 198 214 A E H > S+ 0 0 64 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 111.9 48.0 -59.9 -45.9 44.5 -0.5 9.5 199 215 A Q H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 107.9 56.3 -63.2 -39.6 46.7 1.5 7.1 200 216 A Q H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.897 110.1 44.9 -56.7 -44.7 43.6 3.5 6.0 201 217 A L H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.873 110.2 53.8 -69.0 -39.6 43.0 4.5 9.6 202 218 A E H X S+ 0 0 58 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.914 110.7 48.6 -57.8 -42.8 46.6 5.3 10.2 203 219 A D H X S+ 0 0 90 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.922 114.1 43.8 -64.1 -47.3 46.5 7.6 7.2 204 220 A I H X S+ 0 0 14 -4,-2.1 4,-1.6 2,-0.2 3,-0.2 0.915 113.9 51.0 -65.0 -43.7 43.3 9.4 8.3 205 221 A F H X S+ 0 0 11 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.913 106.0 55.5 -61.3 -42.1 44.5 9.7 11.9 206 222 A A H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 107.2 51.0 -57.6 -36.4 47.8 11.2 10.7 207 223 A D H < S+ 0 0 127 -4,-1.3 4,-0.3 -3,-0.2 -1,-0.2 0.859 117.2 37.4 -68.8 -38.3 45.8 14.0 8.8 208 224 A I H >X S+ 0 0 12 -4,-1.6 4,-1.7 -3,-0.2 3,-0.7 0.675 95.4 86.0 -88.7 -20.3 43.7 14.9 11.8 209 225 A R H 3X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.846 83.0 56.8 -53.2 -42.9 46.4 14.5 14.4 210 226 A P H 3> S+ 0 0 73 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.882 106.4 50.5 -59.4 -38.4 47.9 18.1 14.0 211 227 A L H <> S+ 0 0 17 -3,-0.7 4,-1.9 -4,-0.3 -2,-0.2 0.898 109.1 52.0 -62.5 -41.6 44.4 19.5 14.9 212 228 A Y H X S+ 0 0 3 -4,-1.7 4,-3.0 1,-0.2 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A Q H > S+ 0 0 20 -2,-0.3 4,-1.5 2,-0.2 3,-0.3 0.931 119.2 50.9 -58.3 -48.7 22.4 17.3 27.4 344 360 A D H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 109.3 50.9 -57.4 -42.0 25.0 14.5 27.1 345 361 A Q H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.793 102.6 59.9 -68.2 -30.1 22.3 11.9 27.8 346 362 A L H X S+ 0 0 1 -4,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.888 108.2 45.4 -63.7 -39.6 20.0 13.4 25.2 347 363 A F H X S+ 0 0 28 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.908 109.9 54.8 -65.9 -44.0 22.7 12.7 22.6 348 364 A T H X S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.882 104.3 54.9 -56.8 -40.8 23.1 9.2 24.1 349 365 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.918 109.7 46.2 -58.8 -44.7 19.4 8.5 23.6 350 366 A H H X S+ 0 0 4 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.851 110.5 53.6 -68.6 -34.8 19.7 9.4 19.9 351 367 A H H X S+ 0 0 31 -4,-2.3 4,-1.2 2,-0.2 31,-0.5 0.948 111.2 46.0 -59.5 -50.5 22.8 7.2 19.6 352 368 A E H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.867 110.1 52.5 -60.3 -41.8 20.9 4.3 21.1 353 369 A L H X S+ 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1,-0.2 175,-0.5 175,-0.1 -1,-0.1 0.904 106.2 -14.4 -51.8 -45.2 27.4 -3.0 7.0 374 390 A N S >> S- 0 0 3 174,-0.1 3,-1.2 173,-0.1 4,-1.2 -0.934 83.5 -98.6-143.6 166.4 30.5 -2.8 9.2 375 391 A P H 3> S+ 0 0 23 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.823 122.0 59.3 -56.0 -28.6 30.6 -2.2 13.0 376 392 A G H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 122,-0.1 0.822 98.4 58.1 -65.6 -34.2 31.3 1.5 12.4 377 393 A F H <> S+ 0 0 1 -3,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.899 103.4 52.1 -61.7 -42.8 28.1 2.0 10.5 378 394 A H H < S+ 0 0 18 -4,-1.2 4,-0.5 1,-0.2 -1,-0.2 0.885 111.9 45.9 -63.6 -39.8 26.0 0.8 13.4 379 395 A E H X S+ 0 0 11 -4,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.746 110.1 56.4 -73.1 -24.5 27.7 3.3 15.8 380 396 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.2 3,-0.2 0.815 86.8 75.8 -78.9 -33.8 27.4 6.2 13.3 381 397 A V H >X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 3,-0.7 0.896 101.1 36.9 -48.2 -62.3 23.6 6.2 12.6 382 398 A G H 3> S+ 0 0 0 -31,-0.5 4,-2.3 -4,-0.5 -1,-0.2 0.773 111.2 61.6 -66.0 -30.1 22.4 7.9 15.9 383 399 A D H 3X S+ 0 0 14 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.806 95.7 60.7 -65.9 -32.2 25.5 10.2 16.0 384 400 A V H X S+ 0 0 0 -4,-0.9 4,-2.9 1,-0.2 3,-0.5 0.913 111.0 56.8 -70.7 -43.2 21.2 12.9 14.3 386 402 A S H 3X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.827 100.2 59.5 -56.2 -36.4 23.0 13.9 17.6 387 403 A L H 3< S+ 0 0 3 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.894 112.2 38.5 -59.7 -41.3 25.2 16.2 15.5 388 404 A S H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.5 6,-0.5 0.863 112.4 56.6 -78.6 -36.4 22.1 18.1 14.4 389 405 A V H 3< S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.868 105.1 55.2 -56.9 -36.0 20.4 17.8 17.8 390 406 A S T 3< S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.605 85.9 105.0 -76.6 -15.2 23.5 19.5 19.3 391 407 A T S <> S- 0 0 0 -3,-1.1 4,-2.4 -4,-0.3 5,-0.2 -0.377 78.1-127.3 -67.1 143.2 23.3 22.6 17.0 392 408 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.888 110.8 63.8 -50.2 -40.2 22.0 25.9 18.4 393 409 A K H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 3,-0.1 0.942 109.8 34.8 -49.2 -57.0 19.6 25.8 15.4 394 410 A H H > S+ 0 0 10 -6,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.887 114.6 56.2 -68.2 -40.8 17.8 22.6 16.7 395 411 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-1.4 0.801 106.7 50.8 -67.6 -28.7 18.1 23.4 20.4 396 412 A E H ><5S+ 0 0 95 -4,-2.2 3,-1.5 4,-0.2 -1,-0.2 0.878 105.0 57.8 -69.0 -41.9 16.4 26.8 19.9 397 413 A K H 3<5S+ 0 0 125 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.5 44.1 -55.1 -39.5 13.5 25.0 18.0 398 414 A I T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 1,-0.0 -2,-0.2 0.269 115.2-115.8 -95.7 11.8 12.9 22.8 21.1 399 415 A G T < 5S+ 0 0 21 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.667 85.0 114.7 68.3 20.9 13.1 25.7 23.5 400 416 A L < + 0 0 3 -5,-2.2 2,-0.5 1,-0.2 -128,-0.2 0.676 69.7 55.1 -93.2 -21.1 16.2 24.4 25.3 401 417 A L S S- 0 0 25 -6,-1.4 2,-0.3 -9,-0.1 3,-0.2 -0.963 73.7-174.1-117.7 117.2 18.5 27.2 24.2 402 418 A K + 0 0 105 -2,-0.5 -6,-0.0 1,-0.2 -7,-0.0 -0.813 57.5 4.8-116.3 149.3 17.3 30.7 25.0 403 419 A D S S+ 0 0 168 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.860 81.1 167.5 50.4 46.6 18.5 34.3 24.2 404 420 A Y - 0 0 23 -3,-0.2 2,-0.6 -12,-0.1 -1,-0.2 -0.795 24.8-164.4 -97.8 127.4 21.3 32.9 22.0 405 421 A V - 0 0 98 -2,-0.5 2,-1.8 2,-0.0 5,-0.2 -0.947 10.8-151.9-110.8 111.5 23.3 35.2 19.7 406 422 A R + 0 0 76 -2,-0.6 2,-0.1 4,-0.1 -2,-0.0 -0.502 37.8 149.6 -86.2 70.6 25.2 33.3 17.1 407 423 A D > - 0 0 52 -2,-1.8 4,-1.9 1,-0.0 5,-0.1 -0.250 65.6 -85.9 -85.5-176.0 28.1 35.6 16.4 408 424 A D H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.860 128.7 48.9 -59.6 -38.9 31.6 34.6 15.4 409 425 A E H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -148,-0.2 0.896 109.9 49.5 -73.0 -41.4 32.7 34.1 19.0 410 426 A A H > S+ 0 0 0 2,-0.2 4,-2.0 -5,-0.2 -1,-0.2 0.852 109.6 54.5 -62.0 -35.5 29.7 32.0 19.9 411 427 A R H X S+ 0 0 67 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.909 107.3 48.2 -66.5 -43.8 30.4 29.9 16.8 412 428 A I H X S+ 0 0 16 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.903 110.1 53.5 -61.5 -43.2 34.0 29.2 17.8 413 429 A N H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 112.3 44.2 -54.8 -45.4 32.7 28.2 21.3 414 430 A Q H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.902 113.8 48.8 -70.9 -44.0 30.3 25.7 19.8 415 431 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.896 113.1 48.5 -58.9 -43.8 32.8 24.3 17.3 416 432 A F H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.913 109.3 52.8 -64.1 -42.9 35.3 23.9 20.1 417 433 A L H < S+ 0 0 17 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.908 111.2 46.7 -58.0 -44.3 32.7 22.2 22.3 418 434 A T H >X S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 3,-1.1 0.893 109.9 53.6 -65.1 -41.4 32.0 19.7 19.5 419 435 A A H 3X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.3 4,-1.5 0.845 99.8 61.2 -61.8 -36.0 35.8 19.2 19.0 420 436 A L H 3<5S+ 0 0 0 -4,-2.1 -169,-2.7 1,-0.2 -168,-0.4 0.701 116.9 33.5 -63.7 -21.0 36.1 18.3 22.7 421 437 A D H <45S+ 0 0 20 -3,-1.1 4,-0.3 -4,-0.5 -2,-0.2 0.790 130.7 29.5 -95.7 -42.0 33.7 15.5 21.9 422 438 A K H <5S+ 0 0 21 -4,-3.0 4,-0.4 2,-0.1 -3,-0.2 0.849 125.4 33.4 -98.3 -40.5 34.6 14.5 18.4 423 439 A I T ><5S+ 0 0 1 -4,-1.5 3,-1.3 -5,-0.2 -3,-0.2 0.918 115.8 54.5 -82.1 -49.5 38.4 15.2 17.7 424 440 A V T 3> S+ 0 0 9 -6,-0.3 4,-2.9 -4,-0.3 -1,-0.3 0.768 87.8 75.9 -67.1 -29.3 38.0 11.0 21.0 426 442 A L H <> S+ 0 0 6 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.2 0.922 98.3 39.0 -58.6 -54.5 39.9 9.9 18.0 427 443 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.911 116.0 55.5 -62.5 -37.4 43.3 9.1 19.5 428 444 A F H X S+ 0 0 4 -4,-0.9 4,-1.4 1,-0.2 -2,-0.2 0.955 109.6 44.4 -54.1 -55.1 41.5 7.6 22.6 429 445 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.862 111.0 53.9 -60.2 -40.2 39.5 5.2 20.4 430 446 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 3,-0.4 0.931 107.7 51.3 -61.2 -43.8 42.5 4.2 18.4 431 447 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.791 97.6 66.2 -66.8 -29.5 44.5 3.3 21.5 432 448 A M H X S+ 0 0 2 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.923 115.8 28.3 -58.6 -43.9 41.7 1.1 23.0 433 449 A D H X S+ 0 0 0 -4,-1.0 4,-3.4 -3,-0.4 5,-0.3 0.805 114.0 61.5 -89.8 -30.7 42.2 -1.4 20.2 434 450 A K H X S+ 0 0 31 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.918 109.7 47.0 -56.7 -40.3 45.9 -0.7 19.4 435 451 A Y H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 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12.5-117.7-148.4 147.9 54.5 16.7 25.4 591 607 A T - 0 0 83 -356,-2.2 2,-0.2 -2,-0.3 -2,-0.0 -0.320 56.4 -78.6 -72.2 163.8 57.4 15.0 27.1 592 608 A T - 0 0 117 1,-0.1 -1,-0.1 -356,-0.1 -137,-0.0 -0.482 56.4-105.1 -69.9 136.1 57.2 11.3 27.9 593 609 A S - 0 0 30 -2,-0.2 3,-0.2 -130,-0.1 -1,-0.1 -0.257 20.6-161.9 -64.2 145.8 55.1 10.5 31.0 594 610 A N + 0 0 115 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.185 68.0 97.6-105.6 10.9 56.7 9.5 34.3 595 611 A K S S+ 0 0 41 1,-0.2 -126,-3.6 -127,-0.1 2,-0.4 0.388 71.2 60.8 -90.3 1.2 53.5 8.0 35.7 596 612 A c E S-e 469 0D 27 -128,-0.2 2,-0.4 -3,-0.2 -126,-0.2 -0.896 72.3-154.8-130.0 107.3 54.0 4.3 34.9 597 613 A V E e 470 0D 82 -128,-2.7 -126,-0.6 -2,-0.4 -146,-0.1 -0.646 360.0 360.0 -85.0 125.1 57.0 2.7 36.6 598 614 A S 0 0 119 -2,-0.4 -1,-0.2 -128,-0.1 -127,-0.1 0.849 360.0 360.0 -82.2 360.0 58.6 -0.3 35.0