==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-MAR-08 3CHL . COMPND 2 MOLECULE: ALPHA-14 GIARDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA LAMBLIA; . AUTHOR P.PATHURI,H.LUECKE . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 72.1 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 . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 5 2 2 3 1 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 10 A T 0 0 107 0, 0.0 313,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-171.7 -25.0 44.9 26.7 2 11 A G > - 0 0 3 3,-0.1 4,-2.0 311,-0.1 3,-0.2 0.274 360.0 -91.8 -81.2-179.6 -23.8 46.3 23.4 3 12 A V H > S+ 0 0 52 309,-0.5 4,-2.8 1,-0.2 5,-0.2 0.844 119.9 57.4 -64.0 -35.8 -20.6 47.9 22.0 4 13 A T H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.933 108.1 45.4 -56.1 -51.6 -21.8 51.4 22.7 5 14 A A H > S+ 0 0 46 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 113.7 50.4 -61.2 -42.8 -22.3 50.7 26.4 6 15 A V H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.939 111.3 47.6 -63.1 -46.7 -18.9 48.9 26.7 7 16 A V H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.935 112.6 49.6 -61.0 -44.7 -17.0 51.8 24.9 8 17 A Q H X S+ 0 0 97 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.893 109.8 51.2 -58.9 -41.9 -18.7 54.3 27.2 9 18 A K H X S+ 0 0 70 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.882 109.1 51.5 -61.7 -42.4 -17.7 52.2 30.3 10 19 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.934 112.2 46.0 -58.2 -49.8 -14.1 52.1 29.1 11 20 A V H X S+ 0 0 20 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.936 112.8 48.9 -61.2 -46.3 -14.1 55.9 28.7 12 21 A E H X S+ 0 0 74 -4,-2.9 4,-1.2 1,-0.2 7,-0.2 0.790 106.6 58.1 -65.3 -28.0 -15.7 56.5 32.1 13 22 A A H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 110.2 42.8 -71.5 -32.2 -13.2 54.1 33.8 14 23 A C H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.805 116.0 47.8 -82.2 -28.7 -10.3 56.2 32.5 15 24 A Q H < S+ 0 0 127 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.632 113.0 48.4 -84.9 -18.3 -12.0 59.6 33.4 16 25 A D >< - 0 0 61 -4,-1.2 3,-2.7 -5,-0.2 -1,-0.2 -0.939 68.9-156.1-130.3 107.5 -13.1 58.6 37.0 17 26 A E G > S+ 0 0 152 -2,-0.5 3,-1.1 1,-0.3 4,-0.2 0.750 93.7 62.7 -61.4 -24.9 -10.4 56.9 39.2 18 27 A S G 3 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.641 104.1 50.7 -70.1 -14.0 -13.0 55.2 41.3 19 28 A K G X S+ 0 0 70 -3,-2.7 3,-2.1 -7,-0.2 4,-0.4 0.314 73.5 112.6-103.4 7.8 -14.1 53.3 38.1 20 29 A R T X S+ 0 0 39 -3,-1.1 3,-1.5 1,-0.3 4,-0.3 0.805 71.1 58.8 -53.9 -38.4 -10.6 52.0 37.0 21 30 A L T >> S+ 0 0 51 1,-0.3 4,-2.6 -3,-0.2 3,-0.7 0.604 82.7 82.7 -75.1 -11.6 -11.4 48.3 37.7 22 31 A D H <> S+ 0 0 49 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.821 84.2 62.3 -53.1 -32.2 -14.3 48.5 35.3 23 32 A L H <> S+ 0 0 0 -3,-1.5 4,-1.4 -4,-0.4 -1,-0.2 0.863 108.0 41.6 -59.9 -38.2 -11.6 47.9 32.6 24 33 A I H <> S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.3 -2,-0.2 0.863 109.6 56.1 -76.9 -43.5 -10.9 44.6 34.3 25 34 A E H X S+ 0 0 63 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.925 108.5 50.1 -53.9 -42.1 -14.5 43.7 34.8 26 35 A I H >X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.9 0.935 108.1 52.6 -61.1 -44.9 -14.9 44.2 31.0 27 36 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 114.0 43.2 -59.9 -35.9 -11.9 41.9 30.3 28 37 A R H 3< S+ 0 0 36 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.571 111.6 55.1 -85.6 -12.0 -13.5 39.1 32.5 29 38 A S H << S+ 0 0 20 -4,-1.0 281,-3.3 -3,-0.9 -2,-0.2 0.570 101.4 49.6-103.3 -13.6 -17.1 39.5 31.1 30 39 A Y S < S- 0 0 13 -4,-1.0 281,-0.1 279,-0.2 279,-0.0 -0.895 87.6 -97.4-127.8 153.3 -16.8 39.1 27.4 31 40 A P >> - 0 0 40 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.456 39.4-116.3 -65.3 143.2 -15.2 36.6 25.0 32 41 A P H 3> S+ 0 0 32 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.828 112.6 58.4 -51.0 -38.5 -11.7 37.8 23.8 33 42 A N H 3> S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.909 107.3 47.2 -62.2 -40.6 -12.9 38.0 20.1 34 43 A Q H <> S+ 0 0 21 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.848 111.6 50.7 -65.9 -36.2 -15.7 40.5 21.0 35 44 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.900 110.2 50.2 -67.5 -39.0 -13.2 42.5 23.1 36 45 A R H X S+ 0 0 43 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.945 110.7 49.0 -61.4 -48.0 -10.8 42.6 20.1 37 46 A N H X S+ 0 0 68 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.893 111.9 50.4 -59.6 -40.0 -13.8 43.7 17.8 38 47 A M H >X S+ 0 0 2 -4,-2.2 4,-1.3 2,-0.2 3,-1.2 0.955 111.7 45.7 -60.1 -54.0 -14.6 46.4 20.4 39 48 A Q H 3X S+ 0 0 55 -4,-2.7 4,-0.6 1,-0.3 3,-0.4 0.892 110.5 54.9 -60.2 -37.1 -11.0 47.7 20.6 40 49 A R H 3< S+ 0 0 152 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.691 115.0 39.3 -72.3 -11.2 -10.8 47.6 16.8 41 50 A T H - 0 0 128 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.395 30.5-119.0 -66.8 143.3 -7.1 55.0 19.6 50 59 A L H > S+ 0 0 2 -11,-0.3 4,-2.9 1,-0.2 5,-0.2 0.921 111.2 50.2 -51.2 -49.6 -7.6 52.9 22.8 51 60 A D H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.888 109.4 52.5 -61.2 -33.2 -3.9 52.9 23.9 52 61 A A H > S+ 0 0 37 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.931 110.9 46.9 -68.5 -44.8 -3.8 56.7 23.5 53 62 A F H >X S+ 0 0 19 -4,-2.3 3,-1.0 1,-0.2 4,-0.7 0.961 113.5 47.9 -58.9 -51.4 -6.8 57.1 25.7 54 63 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.9 0.872 106.3 57.4 -59.5 -39.7 -5.4 54.7 28.3 55 64 A K H 3< S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.720 99.2 60.3 -68.2 -20.6 -1.9 56.4 28.4 56 65 A K H << S+ 0 0 144 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.808 122.2 19.9 -72.1 -26.6 -3.5 59.7 29.3 57 66 A H H << S+ 0 0 68 -3,-0.9 2,-0.2 -4,-0.7 -2,-0.2 0.701 109.5 69.3-118.6 -28.5 -5.0 58.4 32.5 58 67 A L S < S- 0 0 15 -4,-2.7 -44,-0.0 -5,-0.2 2,-0.0 -0.657 77.2-103.5-108.0 156.6 -3.3 55.2 33.7 59 68 A S > - 0 0 66 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.321 40.9-110.4 -62.3 155.1 0.1 54.2 35.2 60 69 A K H > S+ 0 0 179 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 117.9 49.7 -57.0 -43.8 2.4 52.4 32.7 61 70 A D H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 115.5 42.1 -62.5 -44.7 2.0 49.1 34.5 62 71 A F H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 116.0 47.0 -73.7 -42.0 -1.8 49.2 34.6 63 72 A E H X S+ 0 0 15 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.929 110.9 53.9 -65.3 -37.9 -2.2 50.5 31.1 64 73 A S H X S+ 0 0 28 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.898 110.1 47.5 -60.0 -43.3 0.3 47.8 29.8 65 74 A L H >X S+ 0 0 0 -4,-1.7 3,-1.6 2,-0.2 4,-0.6 0.952 110.6 51.0 -59.1 -53.3 -1.8 45.1 31.6 66 75 A V H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 4,-0.7 0.902 104.3 58.0 -57.7 -41.3 -5.1 46.4 30.1 67 76 A L H 3< S+ 0 0 30 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.639 103.9 52.2 -66.1 -15.7 -3.7 46.5 26.6 68 77 A M H << S+ 0 0 24 -3,-1.6 3,-0.3 -4,-0.6 -1,-0.3 0.595 101.2 64.2 -88.8 -11.9 -3.0 42.8 26.8 69 78 A L H << S+ 0 0 0 -3,-1.6 2,-0.8 -4,-0.6 -2,-0.2 0.719 83.4 70.0 -87.6 -24.6 -6.5 41.8 27.9 70 79 A Y S < S+ 0 0 3 -4,-0.7 -31,-0.2 -35,-0.1 -1,-0.2 -0.219 92.3 61.1 -96.3 49.1 -8.7 42.8 24.9 71 80 A K S S- 0 0 24 -2,-0.8 -38,-0.2 -3,-0.3 -37,-0.1 -0.983 88.2 -88.6-163.3 154.2 -7.6 40.2 22.4 72 81 A P > - 0 0 25 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.271 45.0-106.0 -67.9 162.6 -7.5 36.4 22.0 73 82 A R H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 116.5 57.9 -58.7 -44.2 -4.6 34.4 23.3 74 83 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 109.1 45.0 -56.0 -44.6 -3.1 33.8 19.9 75 84 A Q H > S+ 0 0 32 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.922 113.5 49.9 -64.0 -48.8 -2.8 37.5 19.1 76 85 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 110.9 49.7 -54.5 -48.2 -1.4 38.3 22.5 77 86 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.923 110.5 49.5 -64.2 -42.2 1.3 35.5 22.2 78 87 A C H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.942 112.0 48.4 -59.3 -46.9 2.4 36.7 18.7 79 88 A E H X S+ 0 0 59 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.873 111.4 50.4 -62.8 -38.5 2.7 40.3 20.0 80 89 A L H X S+ 0 0 24 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.893 111.4 47.4 -66.3 -39.7 4.7 39.2 23.0 81 90 A I H >< S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.2 4,-0.3 0.943 115.4 45.6 -63.8 -50.3 7.1 37.1 20.9 82 91 A R H >< S+ 0 0 131 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.928 112.1 51.8 -54.5 -47.6 7.5 40.0 18.4 83 92 A G H >< S+ 0 0 38 -4,-2.6 3,-2.1 1,-0.3 4,-0.4 0.679 87.3 82.2 -68.6 -17.4 7.9 42.5 21.3 84 93 A A T << S+ 0 0 5 -4,-1.0 7,-2.7 -3,-0.6 -1,-0.3 0.692 101.9 37.2 -64.5 -19.3 10.7 40.3 22.9 85 94 A T T < S+ 0 0 53 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.042 81.1 109.6-117.7 25.9 13.1 42.0 20.5 86 95 A K S < S+ 0 0 183 -3,-2.1 -2,-0.1 2,-0.1 -1,-0.1 0.839 81.7 50.0 -65.7 -35.4 11.6 45.6 20.4 87 96 A G S S- 0 0 69 -4,-0.4 -2,-0.1 2,-0.2 3,-0.1 0.943 110.6-104.3 -62.9 -93.3 14.7 46.7 22.3 88 97 A A S S+ 0 0 108 1,-0.4 2,-0.3 0, 0.0 -3,-0.1 0.064 103.5 68.9 154.8 13.9 17.9 45.6 20.7 89 98 A G S S- 0 0 53 -5,-0.1 2,-0.4 0, 0.0 -1,-0.4 -0.700 92.1-106.6-122.8-175.1 18.5 42.9 23.2 90 99 A T - 0 0 48 -2,-0.3 2,-1.6 -3,-0.1 -5,-0.2 -0.978 13.7-136.2-114.8 129.5 16.3 39.8 23.6 91 100 A D > + 0 0 66 -7,-2.7 4,-2.1 -2,-0.4 5,-0.2 -0.659 30.3 176.0 -80.5 86.6 13.8 39.4 26.4 92 101 A E H > S+ 0 0 85 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.865 74.9 56.0 -60.4 -41.0 14.7 35.8 27.1 93 102 A K H > S+ 0 0 100 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.868 107.4 50.1 -59.2 -41.0 12.4 35.5 30.1 94 103 A C H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.931 110.2 48.7 -67.5 -44.5 9.4 36.6 28.0 95 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.912 112.6 48.1 -62.2 -42.8 10.2 34.0 25.3 96 105 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.960 110.6 51.4 -59.7 -50.5 10.5 31.2 27.8 97 106 A D H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.882 118.8 38.2 -52.3 -40.5 7.2 32.2 29.6 98 107 A V H >< S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.1 -2,-0.2 0.974 115.2 45.9 -79.8 -57.3 5.4 32.2 26.2 99 108 A L H >< S+ 0 0 4 -4,-2.6 3,-0.7 1,-0.3 -3,-0.2 0.778 110.8 53.7 -64.6 -26.5 6.8 29.2 24.3 100 109 A L T 3< S+ 0 0 2 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.455 106.1 52.4 -88.4 -0.8 6.7 26.8 27.2 101 110 A T T < S+ 0 0 4 -3,-1.6 2,-0.5 -4,-0.2 -1,-0.2 -0.043 75.6 116.9-130.1 33.6 3.0 27.3 27.9 102 111 A I < - 0 0 22 -3,-0.7 2,-0.1 -25,-0.0 5,-0.1 -0.901 59.7-132.4-103.6 123.4 1.3 26.8 24.5 103 112 A E >> - 0 0 46 -2,-0.5 3,-1.8 1,-0.1 4,-0.8 -0.401 20.9-116.1 -69.8 148.7 -1.1 23.9 24.3 104 113 A T H >> S+ 0 0 82 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.924 114.3 58.2 -50.8 -49.6 -0.8 21.5 21.3 105 114 A H H 34 S+ 0 0 149 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.636 108.6 47.5 -55.8 -14.0 -4.3 22.4 19.9 106 115 A E H <> S+ 0 0 25 -3,-1.8 4,-1.8 2,-0.1 -1,-0.2 0.609 87.8 87.0-101.3 -19.7 -3.1 26.1 19.7 107 116 A V H S+ 0 0 103 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.883 114.3 48.3 -57.4 -37.6 -3.1 28.8 14.7 110 119 A I H X S+ 0 0 4 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.965 111.0 47.5 -70.4 -52.3 -0.2 30.6 16.5 111 120 A R H X S+ 0 0 72 -4,-2.8 4,-2.1 1,-0.2 11,-0.2 0.932 116.3 46.9 -51.3 -49.8 2.5 29.7 13.9 112 121 A Q H X S+ 0 0 111 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.907 112.5 47.3 -56.9 -51.0 0.1 30.8 11.1 113 122 A L H X S+ 0 0 24 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.893 109.9 54.7 -60.1 -41.8 -0.9 34.1 12.8 114 123 A Y H X S+ 0 0 3 -4,-2.9 4,-2.6 2,-0.2 6,-0.5 0.948 112.6 42.0 -58.3 -48.9 2.8 34.9 13.5 115 124 A Y H X S+ 0 0 146 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.940 114.9 52.1 -60.6 -46.0 3.7 34.4 9.8 116 125 A Q H < S+ 0 0 156 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 117.3 37.5 -56.6 -40.7 0.5 36.3 8.8 117 126 A L H < S+ 0 0 65 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.869 137.3 14.8 -79.0 -42.1 1.3 39.3 11.1 118 127 A Y H < S- 0 0 49 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.305 90.1-130.6-124.1 4.9 5.1 39.5 10.7 119 128 A N S < S+ 0 0 123 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.742 74.4 101.1 40.3 38.2 5.8 37.3 7.6 120 129 A D S S- 0 0 69 -6,-0.5 -2,-0.2 0, 0.0 2,-0.2 -0.951 81.1 -99.8-133.2 157.4 8.5 35.3 9.2 121 130 A S > - 0 0 44 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.569 22.2-135.0 -78.3 144.9 8.3 31.9 10.7 122 131 A L H > S+ 0 0 9 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.923 106.1 53.2 -67.6 -44.8 7.9 31.7 14.5 123 132 A G H > S+ 0 0 13 21,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 111.1 47.0 -53.3 -44.1 10.5 28.9 14.7 124 133 A D H > S+ 0 0 100 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.919 112.3 50.0 -65.5 -45.1 13.0 31.0 12.8 125 134 A V H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.921 113.4 45.2 -61.8 -46.3 12.2 34.0 14.9 126 135 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.3 0.955 114.2 48.6 -63.2 -46.8 12.7 32.1 18.1 127 136 A R H X S+ 0 0 126 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.942 113.9 47.1 -59.1 -46.8 15.9 30.4 16.9 128 137 A K H < S+ 0 0 179 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.921 114.0 47.5 -59.9 -45.0 17.3 33.8 15.8 129 138 A D H < S+ 0 0 25 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.811 126.4 24.8 -63.7 -34.5 16.3 35.5 19.1 130 139 A C H < S- 0 0 15 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.654 86.0-148.3-112.4 -19.0 17.8 32.8 21.4 131 140 A G < - 0 0 33 -4,-2.5 -1,-0.2 -5,-0.3 10,-0.1 -0.311 31.2 -96.2 69.2-162.4 20.6 30.8 19.6 132 141 A D S S+ 0 0 59 -2,-0.0 -1,-0.2 9,-0.0 -5,-0.0 0.054 94.5 94.8-143.0 24.8 21.0 27.1 20.5 133 142 A K S S+ 0 0 152 -3,-0.3 -2,-0.1 4,-0.0 2,-0.0 0.954 72.3 64.0 -79.1 -60.2 23.8 27.2 23.2 134 143 A Y S > S- 0 0 113 -4,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.301 82.0-124.3 -75.7 151.2 21.9 27.2 26.5 135 144 A M H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 113.9 53.8 -59.3 -40.9 19.7 24.4 27.7 136 145 A W H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 111.3 45.7 -61.8 -36.5 16.7 26.8 28.0 137 146 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 112.0 50.5 -75.1 -37.7 17.2 27.9 24.3 138 147 A K H X S+ 0 0 53 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.904 112.4 49.3 -61.2 -41.6 17.6 24.3 23.1 139 148 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.952 112.4 44.3 -65.4 -54.1 14.4 23.5 25.0 140 149 A I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.875 112.8 52.9 -64.0 -32.7 12.3 26.4 23.6 141 150 A N H X S+ 0 0 8 -4,-2.5 4,-1.7 2,-0.2 5,-0.3 0.939 109.1 49.1 -64.0 -45.1 13.7 25.8 20.0 142 151 A A H X S+ 0 0 25 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.868 116.1 43.2 -61.6 -37.4 12.6 22.1 20.2 143 152 A V H < S+ 0 0 24 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.900 111.4 54.8 -71.1 -42.4 9.2 23.2 21.4 144 153 A A H < S+ 0 0 5 -4,-3.2 -21,-0.2 1,-0.2 -2,-0.2 0.797 124.2 24.0 -62.8 -30.0 8.9 26.0 18.9 145 154 A T H < S+ 0 0 91 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.607 114.6 74.6-110.4 -17.6 9.5 23.7 15.9 146 155 A G < - 0 0 23 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.1 0.002 64.9-131.6 -92.0-170.4 8.5 20.3 17.3 147 156 A D - 0 0 109 2,-0.0 2,-0.6 -5,-0.0 -2,-0.0 -0.974 16.8-124.3-138.8 153.8 5.3 18.5 18.1 148 157 A R + 0 0 34 -2,-0.3 39,-0.2 -5,-0.1 38,-0.1 -0.915 37.3 177.9-101.4 114.7 4.2 16.5 21.2 149 158 A I - 0 0 104 37,-1.2 39,-0.4 -2,-0.6 -2,-0.0 -0.890 29.2 -99.2-120.2 145.2 3.2 13.0 20.1 150 159 A P - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.084 36.3-172.6 -59.8 161.2 2.0 9.9 22.2 151 160 A R - 0 0 40 37,-0.0 2,-0.2 3,-0.0 37,-0.0 -0.933 19.8-107.2-147.2 169.0 4.2 7.0 23.4 152 161 A D >> - 0 0 74 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.541 38.2 -98.3-101.2 163.2 3.8 3.5 25.1 153 162 A T H 3> S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.754 119.8 64.7 -44.7 -28.2 4.7 2.3 28.6 154 163 A H H 3> S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 101.7 41.7 -70.3 -48.7 7.9 0.9 26.9 155 164 A E H <> S+ 0 0 79 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.854 113.7 55.1 -67.6 -34.0 9.5 4.2 25.9 156 165 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.848 106.0 51.9 -67.2 -38.5 8.5 5.7 29.2 157 166 A E H X S+ 0 0 104 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.894 112.6 45.0 -60.0 -45.6 10.3 2.9 31.1 158 167 A E H X S+ 0 0 116 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.853 112.6 50.6 -66.4 -40.8 13.5 3.4 29.1 159 168 A D H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.818 102.8 61.6 -70.8 -31.2 13.3 7.2 29.5 160 169 A L H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.928 106.7 44.5 -53.6 -51.4 12.9 6.8 33.3 161 170 A V H X S+ 0 0 81 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.922 114.8 49.3 -62.7 -45.1 16.3 5.1 33.5 162 171 A L H X S+ 0 0 74 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.861 112.7 45.1 -62.3 -40.9 17.9 7.7 31.2 163 172 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.858 110.9 53.9 -76.7 -34.1 16.5 10.7 33.1 164 173 A R H X S+ 0 0 46 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.918 109.3 49.7 -60.2 -44.0 17.5 9.2 36.5 165 174 A K H X S+ 0 0 78 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.938 110.9 48.5 -60.8 -46.5 21.0 8.8 35.2 166 175 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.0 49.5 -60.5 -39.9 21.1 12.4 34.0 167 176 A I H < S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.9 52.7 -66.3 -38.7 19.8 13.6 37.4 168 177 A E H < S+ 0 0 115 -4,-2.3 2,-0.3 -5,-0.2 -2,-0.2 0.776 96.1 78.3 -71.3 -29.6 22.4 11.5 39.1 169 178 A T S < S- 0 0 36 -4,-1.8 2,-0.5 -5,-0.1 4,-0.1 -0.602 85.1-117.4 -83.4 143.1 25.4 12.9 37.2 170 179 A K S S+ 0 0 183 -2,-0.3 45,-0.1 2,-0.1 -2,-0.1 -0.682 83.0 9.1 -75.5 122.8 27.0 16.3 38.1 171 180 A G S S- 0 0 41 -2,-0.5 2,-1.2 43,-0.2 -2,-0.1 -0.027 100.2 -71.2 88.8 159.2 26.6 18.6 35.1 172 181 A V - 0 0 53 43,-0.1 5,-0.1 -2,-0.0 -1,-0.1 -0.790 57.6-150.7 -89.6 98.5 24.7 18.2 31.9 173 182 A K >> - 0 0 95 -2,-1.2 3,-1.4 -7,-0.1 4,-0.7 -0.300 23.2-108.6 -66.3 156.5 26.8 15.6 30.1 174 183 A K H >> S+ 0 0 198 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.912 119.3 48.1 -44.6 -56.2 27.0 15.5 26.3 175 184 A D H 34 S+ 0 0 99 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.518 105.7 61.3 -71.8 -6.1 24.9 12.3 26.1 176 185 A E H <> S+ 0 0 1 -3,-1.4 4,-1.8 2,-0.1 -1,-0.2 0.646 80.9 78.2 -94.7 -18.7 22.2 13.8 28.4 177 186 A V H S+ 0 0 6 -4,-0.4 4,-2.2 2,-0.2 5,-0.2 0.936 111.3 43.2 -59.3 -56.2 17.2 13.1 27.2 180 189 A W H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.919 118.7 44.3 -56.4 -49.4 16.2 16.4 28.8 181 190 A I H X>S+ 0 0 25 -4,-2.2 4,-2.5 -5,-0.2 5,-0.5 0.920 112.1 51.5 -67.7 -47.2 15.1 17.9 25.5 182 191 A R H X5S+ 0 0 66 -4,-2.6 4,-1.7 -5,-0.3 5,-0.4 0.928 116.7 39.1 -58.2 -47.2 13.2 14.8 24.3 183 192 A I H X5S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.987 123.4 37.7 -65.0 -56.6 11.1 14.4 27.4 184 193 A F H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.759 126.6 35.7 -74.5 -29.4 10.4 18.1 28.2 185 194 A A H <5S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.754 127.4 30.3 -93.8 -27.3 9.9 19.2 24.6 186 195 A T H < - 0 0 26 -39,-0.4 4,-3.2 -2,-0.1 5,-0.2 -0.451 28.5-106.8 -73.4 158.7 2.3 14.7 25.7 189 198 A R H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.869 120.0 52.0 -49.0 -46.1 0.8 15.9 29.0 190 199 A A H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 113.7 41.9 -61.5 -50.4 -0.7 12.4 29.5 191 200 A D H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.891 113.4 53.4 -67.9 -41.1 2.6 10.6 29.1 192 201 A F H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.927 109.0 48.6 -58.6 -44.7 4.5 13.3 31.1 193 202 A R H X S+ 0 0 75 -4,-2.8 4,-1.9 38,-0.2 -2,-0.2 0.893 111.8 50.6 -62.5 -38.6 2.1 12.8 34.0 194 203 A Q H X S+ 0 0 73 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 111.1 47.6 -60.2 -48.9 2.6 9.0 33.7 195 204 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.910 108.6 55.3 -58.9 -45.6 6.5 9.4 33.7 196 205 A H H X S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 12,-0.2 0.934 113.5 41.4 -49.1 -53.2 6.2 11.7 36.7 197 206 A K H X S+ 0 0 116 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.883 112.5 52.9 -68.5 -41.0 4.3 9.0 38.6 198 207 A M H X S+ 0 0 38 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.838 108.0 54.0 -61.7 -33.4 6.5 6.1 37.4 199 208 A Y H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 7,-0.3 0.935 109.9 43.2 -70.9 -47.1 9.6 8.0 38.6 200 209 A S H <>S+ 0 0 42 -4,-1.7 5,-3.1 1,-0.2 6,-0.3 0.842 115.5 51.8 -69.5 -28.5 8.4 8.5 42.2 201 210 A A H ><5S+ 0 0 85 -4,-1.9 3,-0.5 3,-0.2 -2,-0.2 0.901 116.7 38.7 -70.9 -42.9 7.1 4.9 42.2 202 211 A K H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.834 118.5 47.1 -75.0 -33.9 10.5 3.5 41.0 203 212 A Y T ><5S- 0 0 36 -4,-2.6 3,-1.9 3,-0.2 -1,-0.2 -0.224 115.4 -98.0-113.9 41.2 12.8 5.9 43.0 204 213 A N T < 5S- 0 0 156 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.845 87.3 -43.1 53.9 43.2 11.3 5.8 46.5 205 214 A G T 3 - 0 0 44 1,-0.1 4,-1.5 -7,-0.1 -1,-0.1 -0.878 14.4-137.8-115.0 149.0 10.5 13.6 42.1 208 217 A L H > S+ 0 0 0 -2,-0.4 4,-1.4 -12,-0.2 -1,-0.1 0.878 108.6 56.5 -56.7 -43.8 11.3 14.5 38.6 209 218 A R H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.903 103.2 52.8 -59.3 -43.9 11.0 18.2 39.6 210 219 A A H > S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 105.6 57.1 -57.9 -34.9 13.6 17.9 42.3 211 220 A G H X S+ 0 0 2 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.869 100.4 55.6 -62.7 -39.3 15.9 16.4 39.7 212 221 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.3 3,-0.5 0.951 105.7 52.9 -58.4 -46.4 15.6 19.5 37.5 213 222 A E H < S+ 0 0 89 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.2 51.8 -56.0 -36.2 16.8 21.5 40.6 214 223 A D H < S+ 0 0 118 -4,-1.4 -43,-0.2 1,-0.2 -1,-0.2 0.859 117.8 35.1 -66.6 -38.1 19.8 19.3 40.8 215 224 A E H < S+ 0 0 19 -4,-1.6 2,-0.3 -3,-0.5 -2,-0.2 0.760 113.1 48.7 -93.2 -31.8 20.9 19.6 37.2 216 225 A F < - 0 0 3 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.0 -0.854 52.6-173.3-121.5 152.7 20.1 23.2 36.2 217 226 A Q >> - 0 0 166 -2,-0.3 4,-1.1 4,-0.0 3,-1.0 -0.863 54.7 -0.2-132.7 168.1 20.5 26.8 37.5 218 227 A G H 3> S- 0 0 56 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.219 128.4 -9.9 59.0-132.9 19.4 30.3 36.5 219 228 A L H 3> S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.821 135.2 59.8 -75.8 -28.7 17.1 30.5 33.4 220 229 A D H <> S+ 0 0 34 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.930 107.7 46.7 -54.2 -48.7 17.8 26.9 32.5 221 230 A E H X S+ 0 0 44 -4,-1.1 4,-2.4 2,-0.2 5,-0.2 0.926 112.7 47.7 -63.8 -48.7 16.3 25.9 35.9 222 231 A Y H X S+ 0 0 19 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.917 113.1 49.5 -56.8 -45.9 13.3 28.2 35.5 223 232 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.919 113.4 44.8 -63.5 -45.6 12.5 26.9 31.9 224 233 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.880 115.2 47.5 -69.3 -35.9 12.7 23.2 32.9 225 234 A K H X S+ 0 0 27 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.900 112.3 50.9 -66.4 -42.6 10.6 23.8 36.0 226 235 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.922 112.1 46.1 -61.2 -46.0 8.1 25.8 33.9 227 236 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.924 113.2 50.6 -64.1 -39.1 7.9 23.0 31.2 228 237 A H H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.952 114.3 42.8 -57.9 -53.4 7.5 20.4 33.9 229 238 A D H X S+ 0 0 3 -4,-2.7 4,-3.2 2,-0.2 8,-0.5 0.847 113.8 51.3 -67.7 -37.7 4.7 22.3 35.7 230 239 A F H < S+ 0 0 10 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.912 114.1 43.6 -63.8 -44.3 2.9 23.2 32.5 231 240 A L H < S+ 0 0 3 -4,-2.3 -38,-0.2 -5,-0.2 -2,-0.2 0.889 117.3 46.9 -69.7 -37.1 2.9 19.6 31.3 232 241 A Y H < S- 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.960 140.1 -27.7 -70.4 -50.2 1.9 18.4 34.8 233 242 A D >X - 0 0 35 -4,-3.2 3,-1.6 -5,-0.1 4,-1.4 -0.756 52.0-138.4-167.6 117.5 -0.9 20.9 35.3 234 243 A P H 3> S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.785 104.4 57.7 -50.4 -33.8 -1.2 24.4 33.7 235 244 A C H 3> S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.791 103.9 54.9 -71.4 -25.8 -2.4 26.0 37.0 236 245 A C H <> S+ 0 0 23 -3,-1.6 4,-2.3 -7,-0.3 -1,-0.2 0.908 108.9 46.7 -63.0 -48.0 0.8 24.8 38.6 237 246 A A H X S+ 0 0 3 -4,-1.4 4,-2.8 -8,-0.5 -2,-0.2 0.911 112.6 49.5 -64.4 -46.0 2.8 26.6 35.9 238 247 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.945 112.6 47.1 -56.8 -49.5 0.7 29.8 36.3 239 248 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 113.6 49.7 -59.0 -41.3 1.2 29.7 40.2 240 249 A F H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.954 110.9 47.7 -66.2 -46.6 4.9 29.0 39.8 241 250 A S H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.871 112.5 49.1 -65.3 -36.1 5.5 31.9 37.3 242 251 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.924 109.5 52.1 -68.8 -43.4 3.6 34.3 39.5 243 252 A N H < S+ 0 0 35 -4,-2.5 4,-0.4 -5,-0.2 3,-0.2 0.938 110.6 48.6 -58.1 -43.7 5.5 33.3 42.5 244 253 A V H >< S+ 0 0 43 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.913 106.6 56.2 -60.8 -42.0 8.8 33.9 40.5 245 254 A A H 3< S+ 0 0 2 -4,-2.2 7,-2.4 1,-0.3 -1,-0.2 0.860 108.4 48.7 -61.8 -30.3 7.6 37.3 39.4 246 255 A F T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.558 87.9 122.1 -79.2 -10.2 7.1 38.3 43.1 247 256 A A < + 0 0 60 -3,-1.6 3,-0.2 -4,-0.4 2,-0.1 -0.192 61.7 3.8 -66.1 147.3 10.6 37.1 44.1 248 257 A G S S- 0 0 65 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 -0.300 112.3 -30.7 80.3-163.1 13.1 39.4 45.8 249 258 A S S S+ 0 0 133 -2,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.896 124.7 3.9 -65.6 -49.5 12.8 43.0 46.9 250 259 A G S S- 0 0 47 -3,-0.2 2,-0.3 40,-0.0 40,-0.0 -0.008 87.0-102.7-108.7-143.0 10.3 44.4 44.4 251 260 A S - 0 0 44 -2,-0.1 2,-1.0 38,-0.1 -5,-0.2 -0.989 17.9-111.0-149.2 161.7 8.5 42.6 41.6 252 261 A D > - 0 0 49 -7,-2.4 4,-2.6 -2,-0.3 5,-0.1 -0.788 31.4-178.9 -94.8 96.1 8.5 42.0 37.9 253 262 A S H > S+ 0 0 20 -2,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.815 79.5 54.4 -64.1 -35.8 5.4 43.9 36.6 254 263 A N H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 112.6 43.1 -69.7 -42.6 5.9 42.9 32.9 255 264 A R H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.904 113.6 51.4 -63.9 -44.8 6.1 39.3 33.8 256 265 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.916 111.7 50.4 -57.9 -40.5 3.1 39.6 36.2 257 266 A N H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.959 114.7 39.7 -62.0 -54.1 1.2 41.3 33.3 258 267 A R H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.880 114.9 51.0 -68.4 -39.5 1.9 38.7 30.7 259 268 A I H X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.948 117.0 42.0 -60.3 -44.8 1.5 35.6 33.0 260 269 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.4 3,-0.3 0.953 117.7 45.2 -67.1 -48.7 -1.8 37.0 34.1 261 270 A A H < S+ 0 0 5 -4,-3.2 4,-0.3 1,-0.2 -2,-0.2 0.881 115.2 47.7 -68.4 -33.6 -3.0 38.1 30.7 262 271 A M H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.795 127.8 21.5 -71.8 -30.2 -1.9 34.9 28.9 263 272 A H H >X S+ 0 0 18 -4,-1.4 4,-2.5 -3,-0.3 3,-0.7 0.569 88.2 94.6-121.3 -8.6 -3.5 32.6 31.5 264 273 A F T 3< S+ 0 0 18 -4,-2.4 -3,-0.1 1,-0.2 -1,-0.1 0.778 90.4 49.6 -67.4 -24.8 -6.3 34.1 33.5 265 274 A R T 34 S+ 0 0 63 -4,-0.3 -1,-0.2 -5,-0.2 3,-0.1 0.781 120.2 34.3 -81.4 -26.2 -9.1 32.9 31.2 266 275 A E T <4 S+ 0 0 103 -3,-0.7 2,-1.2 1,-0.2 -2,-0.2 0.762 106.2 69.2 -94.0 -37.1 -7.9 29.2 31.1 267 276 A C >< + 0 0 7 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 -0.664 45.5 160.0-100.1 88.0 -6.5 28.7 34.5 268 277 A K T 3 S+ 0 0 127 -2,-1.2 4,-0.3 1,-0.2 3,-0.3 0.761 74.3 57.5 -75.1 -22.7 -9.3 28.7 37.2 269 278 A G T 3> S+ 0 0 17 1,-0.2 4,-3.2 2,-0.1 5,-0.3 0.405 72.9 105.0 -86.7 3.0 -7.1 26.9 39.8 270 279 A C H <> S+ 0 0 1 -3,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.916 83.6 40.9 -54.8 -51.8 -4.2 29.4 40.0 271 280 A K H > S+ 0 0 28 31,-0.4 4,-2.1 -3,-0.3 11,-0.4 0.896 117.9 50.1 -64.6 -39.5 -5.0 31.0 43.4 272 281 A Y H > S+ 0 0 149 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.936 113.6 42.8 -63.0 -50.2 -5.9 27.6 44.8 273 282 A Y H X S+ 0 0 73 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.882 110.1 59.5 -61.7 -41.2 -2.7 25.9 43.6 274 283 A Y H X S+ 0 0 1 -4,-2.9 4,-3.3 -5,-0.3 5,-0.4 0.957 108.8 42.6 -50.8 -54.6 -0.7 28.9 44.7 275 284 A K H X S+ 0 0 109 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.890 115.2 50.8 -58.6 -41.3 -1.9 28.5 48.3 276 285 A K H < S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.933 119.7 35.2 -64.7 -43.2 -1.4 24.7 48.2 277 286 A V H < S+ 0 0 82 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.903 130.2 28.6 -80.9 -44.2 2.1 25.0 46.9 278 287 A Y H < S- 0 0 73 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.578 91.9-132.5-100.4 -11.5 3.4 28.1 48.7 279 288 A G S < S+ 0 0 53 -4,-1.8 2,-0.4 -5,-0.4 -4,-0.2 0.295 77.4 94.7 79.4 -9.5 1.3 28.1 51.9 280 289 A Q S S- 0 0 53 -6,-0.4 -2,-0.2 2,-0.0 -1,-0.2 -0.921 85.1-106.7-112.8 139.1 0.4 31.7 51.6 281 290 A A > - 0 0 36 -2,-0.4 4,-1.9 1,-0.1 3,-0.5 -0.428 26.3-127.1 -59.2 133.8 -2.9 32.9 50.0 282 291 A F H > S+ 0 0 2 -11,-0.4 4,-3.1 1,-0.2 5,-0.2 0.899 109.5 52.4 -47.0 -49.0 -2.2 34.5 46.6 283 292 A D H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 106.3 54.3 -61.4 -33.0 -4.2 37.7 47.5 284 293 A E H > S+ 0 0 111 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.881 111.7 43.4 -70.0 -42.2 -2.1 38.1 50.7 285 294 A R H X S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 3,-0.4 0.921 113.6 52.3 -65.7 -47.1 1.2 37.9 48.7 286 295 A C H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.874 105.9 55.4 -49.6 -43.1 -0.4 40.3 46.2 287 296 A A H < S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.0 42.2 -65.1 -33.7 -1.3 42.7 49.0 288 297 A T H < S+ 0 0 86 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.872 122.0 39.0 -78.0 -38.6 2.3 42.8 50.2 289 298 A E H < S+ 0 0 42 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.829 117.2 39.8 -83.2 -36.7 3.9 43.1 46.7 290 299 A L < - 0 0 12 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.0 -0.818 64.9-158.0-121.7 155.1 1.4 45.4 44.9 291 300 A K > - 0 0 153 -2,-0.3 4,-1.5 -3,-0.0 3,-0.5 -0.887 46.8 -8.7-129.8 158.2 -0.5 48.5 45.8 292 301 A G H > S- 0 0 52 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.047 114.8 -18.2 62.9-154.1 -3.6 50.4 44.7 293 302 A V H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.808 133.3 57.9 -59.7 -37.4 -5.6 49.7 41.5 294 303 A Y H > S+ 0 0 21 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.966 108.8 45.6 -63.2 -50.3 -2.8 47.7 39.8 295 304 A G H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.911 113.6 48.8 -49.7 -49.9 -2.7 45.2 42.7 296 305 A D H X S+ 0 0 74 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.862 108.8 55.2 -66.7 -31.3 -6.5 44.9 42.8 297 306 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.908 108.2 46.8 -63.6 -49.6 -6.5 44.3 39.0 298 307 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.933 114.8 46.9 -61.5 -47.3 -4.1 41.4 39.3 299 308 A K H < S+ 0 0 44 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.910 113.9 48.8 -60.0 -42.3 -6.1 39.9 42.1 300 309 A L H >< S+ 0 0 42 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.921 108.0 52.2 -66.9 -43.3 -9.4 40.4 40.2 301 310 A L H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.883 109.2 51.6 -58.3 -38.1 -8.2 38.9 36.9 302 311 A W T 3< S+ 0 0 5 -4,-1.7 -31,-0.4 -5,-0.2 -1,-0.3 0.497 84.4 104.6 -79.9 -3.5 -7.1 35.8 38.8 303 312 A E S < S- 0 0 90 -3,-1.4 -35,-0.0 -4,-0.3 -3,-0.0 -0.721 82.6-114.0 -80.7 120.6 -10.4 35.3 40.5 304 313 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.270 25.2-124.5 -55.4 130.3 -12.3 32.5 38.7 305 314 A V - 0 0 36 1,-0.1 4,-0.1 -4,-0.1 -276,-0.0 -0.666 26.3-175.0 -77.7 137.5 -15.4 33.6 36.9 306 315 A T + 0 0 135 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.450 59.1 62.5-118.0 -3.8 -18.5 31.6 38.1 307 316 A V S S- 0 0 103 1,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.688 93.7 -85.4-116.9 166.7 -21.2 32.9 35.8 308 317 A P - 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.416 52.8-100.7 -72.2 153.0 -21.7 32.7 32.0 309 318 A L - 0 0 93 1,-0.1 -279,-0.2 -4,-0.1 -280,-0.1 -0.331 33.2-115.7 -70.4 154.1 -20.0 35.4 29.9 310 319 A L - 0 0 88 -281,-3.3 2,-0.4 -2,-0.0 -1,-0.1 -0.337 22.8-133.4 -72.3 166.0 -21.9 38.4 28.5 311 320 A S - 0 0 32 -281,-0.1 3,-0.4 1,-0.1 4,-0.1 -0.999 13.5-165.9-124.2 130.7 -22.3 39.0 24.8 312 321 A M S S+ 0 0 11 -2,-0.4 -309,-0.5 1,-0.2 3,-0.4 0.597 93.6 58.7 -78.7 -13.7 -21.7 42.3 23.1 313 322 A D S S+ 0 0 126 1,-0.2 -1,-0.2 -311,-0.1 -311,-0.1 0.498 83.3 83.1 -95.5 -5.0 -23.5 40.9 20.0 314 323 A D 0 0 132 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.568 360.0 360.0 -80.3 -17.1 -26.7 40.2 21.9 315 324 A Y 0 0 223 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 0.866 360.0 360.0 -33.9 360.0 -28.0 43.8 21.6