==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-99 1DIY . COMPND 2 MOLECULE: PROSTAGLANDIN H2 SYNTHASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR M.G.MALKOWSKI,S.L.GINELL,W.L.SMITH,R.M.GARAVITO . 553 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 30 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 2 4 3 3 1 2 1 0 0 2 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 11 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 32 A P 0 0 143 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.6 210.8 117.5 -38.1 2 33 A V - 0 0 77 1,-0.1 4,-0.1 2,-0.0 126,-0.1 -0.577 360.0-107.9 -74.7 122.1 214.3 116.6 -39.5 3 34 A N > - 0 0 11 -2,-0.5 3,-2.5 124,-0.3 4,-0.2 -0.252 28.2-147.9 -48.4 100.3 216.8 116.0 -36.7 4 35 A P G > S+ 0 0 15 0, 0.0 3,-3.1 0, 0.0 4,-0.5 0.825 93.2 70.3 -44.3 -41.3 219.0 119.1 -37.1 5 36 A a G 3 S+ 0 0 21 1,-0.3 3,-0.1 2,-0.2 -2,-0.1 0.514 81.0 82.2 -58.6 3.4 222.1 117.3 -35.9 6 37 A b G < S+ 0 0 1 -3,-2.5 -1,-0.3 1,-0.2 124,-0.1 0.611 88.5 50.8 -80.1 -14.5 221.7 115.7 -39.3 7 38 A Y S < S- 0 0 125 -3,-3.1 -1,-0.2 -4,-0.2 -2,-0.2 0.582 105.6-129.9 -96.6 -14.4 223.4 118.7 -40.9 8 39 A Y + 0 0 30 -4,-0.5 -3,-0.1 -3,-0.1 -2,-0.1 0.984 40.0 172.3 61.8 57.0 226.3 118.6 -38.5 9 40 A P + 0 0 21 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.909 48.2 84.9 -64.7 -45.8 225.9 122.3 -37.7 10 41 A c - 0 0 19 4,-0.1 2,-0.3 15,-0.1 3,-0.2 -0.371 65.7-159.9 -64.2 137.3 228.5 122.4 -34.9 11 42 A Q + 0 0 55 26,-2.7 3,-0.4 1,-0.2 22,-0.1 -0.765 59.9 27.5-115.9 160.1 232.1 122.9 -36.1 12 43 A H S S- 0 0 80 -2,-0.3 21,-0.2 1,-0.2 -1,-0.2 0.807 132.7 -49.5 61.7 36.1 235.5 122.3 -34.4 13 44 A Q S S+ 0 0 106 1,-0.3 2,-0.5 -3,-0.2 -1,-0.2 0.753 89.4 158.9 77.1 26.5 234.4 119.4 -32.2 14 45 A G - 0 0 11 -3,-0.4 2,-0.3 23,-0.2 -1,-0.3 -0.714 44.2-117.3 -84.6 128.7 231.4 121.2 -30.8 15 46 A I E -A 27 0A 62 12,-1.0 12,-2.0 -2,-0.5 2,-0.6 -0.477 21.6-140.2 -70.0 124.5 228.8 118.8 -29.3 16 47 A a E -A 26 0A 43 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.741 24.9-178.1 -86.9 121.8 225.4 118.8 -31.1 17 48 A V E -A 25 0A 56 8,-2.0 8,-2.5 -2,-0.6 2,-0.4 -0.977 25.0-129.8-129.8 131.2 222.5 118.6 -28.7 18 49 A R E -A 24 0A 92 -2,-0.4 2,-0.5 6,-0.2 6,-0.3 -0.587 24.7-174.8 -76.1 126.1 218.8 118.4 -29.4 19 50 A F E > -A 23 0A 83 4,-1.5 4,-1.1 -2,-0.4 3,-0.3 -0.989 56.1 -21.7-123.9 120.9 216.8 120.9 -27.3 20 51 A G T 4 S- 0 0 48 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.211 104.9 -50.5 74.6-170.7 213.0 120.7 -27.5 21 52 A L T 4 S+ 0 0 155 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.820 131.9 9.1 -73.0 -32.6 211.2 119.2 -30.5 22 53 A D T 4 S+ 0 0 107 -3,-0.3 -2,-0.2 -19,-0.1 -1,-0.1 0.515 107.1 80.4-130.5 -2.8 213.0 121.0 -33.3 23 54 A R E < -A 19 0A 145 -4,-1.1 -4,-1.5 -20,-0.1 2,-0.3 -0.428 48.2-161.6-103.1 179.7 216.0 123.0 -32.1 24 55 A Y E -A 18 0A 70 -6,-0.3 2,-0.4 -2,-0.1 -6,-0.2 -0.986 5.7-150.2-155.8 155.8 219.6 122.3 -31.2 25 56 A Q E -A 17 0A 105 -8,-2.5 -8,-2.0 -2,-0.3 2,-0.5 -0.991 13.2-137.3-133.7 139.3 222.5 123.8 -29.3 26 57 A c E -A 16 0A 23 10,-0.6 2,-1.2 -2,-0.4 -10,-0.2 -0.841 7.2-150.9 -98.0 129.4 226.3 123.5 -29.9 27 58 A D E +A 15 0A 93 -12,-2.0 -12,-1.0 -2,-0.5 -11,-0.1 -0.664 19.6 176.6 -97.9 76.1 228.4 123.1 -26.8 28 59 A d > + 0 0 15 -2,-1.2 3,-2.1 7,-0.3 5,-0.5 0.409 20.4 155.1 -63.4 3.2 231.5 124.8 -28.1 29 60 A T T 3 S- 0 0 71 1,-0.3 -14,-0.1 2,-0.1 -2,-0.1 -0.006 71.8 -9.2 -38.5 129.8 233.2 124.3 -24.7 30 61 A R T 3 S+ 0 0 233 1,-0.1 -1,-0.3 -16,-0.0 4,-0.1 0.673 98.8 115.7 48.9 27.6 237.0 124.3 -25.0 31 62 A T S < S- 0 0 25 -3,-2.1 -2,-0.1 2,-0.4 -1,-0.1 0.561 86.4-118.2 -95.4 -10.4 236.9 124.1 -28.8 32 63 A G S S+ 0 0 13 1,-0.4 10,-2.6 -4,-0.4 2,-0.3 0.320 87.2 88.2 90.4 -9.1 238.6 127.4 -29.0 33 64 A Y E -B 41 0B 30 -5,-0.5 -2,-0.4 8,-0.2 -1,-0.4 -0.763 55.8-164.9-119.1 166.4 235.6 128.8 -30.8 34 65 A S E > +B 40 0B 57 6,-0.6 5,-1.0 -2,-0.3 6,-0.8 -0.873 37.8 75.2-139.4 169.8 232.3 130.3 -29.7 35 66 A G T > 5S- 0 0 31 -2,-0.3 3,-0.7 3,-0.2 -7,-0.3 -0.482 91.8 -46.9 116.3 173.2 229.0 131.0 -31.4 36 67 A P T 3 5S+ 0 0 101 0, 0.0 -10,-0.6 0, 0.0 -1,-0.2 0.899 140.7 8.7 -48.1 -47.6 225.8 129.2 -32.6 37 68 A N T 3 5S- 0 0 41 -3,-0.2 -26,-2.7 -27,-0.1 -23,-0.2 0.071 116.3 -93.3-125.0 25.1 227.9 126.5 -34.2 38 69 A d T < 5S+ 0 0 0 -3,-0.7 -3,-0.2 -28,-0.2 -24,-0.1 0.976 80.9 131.7 63.4 61.3 231.4 127.3 -33.0 39 70 A T < + 0 0 77 -5,-1.0 -4,-0.1 1,-0.1 -1,-0.1 -0.099 40.9 90.0-132.9 35.2 232.7 129.5 -35.8 40 71 A I E S-B 34 0B 90 -6,-0.8 -6,-0.6 -5,-0.1 -1,-0.1 -0.730 71.7-139.7-136.9 86.1 234.1 132.5 -34.0 41 72 A P E -B 33 0B 49 0, 0.0 -8,-0.2 0, 0.0 -9,-0.1 -0.102 16.8-123.2 -47.3 126.2 237.8 131.9 -33.2 42 73 A E > - 0 0 103 -10,-2.6 4,-2.8 1,-0.1 5,-0.2 -0.240 41.8 -89.0 -65.5 167.3 239.0 133.1 -29.8 43 74 A I H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.895 128.8 37.5 -46.4 -51.8 241.8 135.5 -30.0 44 75 A W H > S+ 0 0 194 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.875 112.0 56.7 -72.7 -37.0 244.5 132.9 -29.8 45 76 A T H > S+ 0 0 27 -13,-0.2 4,-3.3 1,-0.2 5,-0.2 0.925 105.9 54.1 -57.8 -42.6 242.7 130.3 -32.0 46 77 A W H X S+ 0 0 133 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.919 110.7 45.1 -57.6 -45.8 242.5 133.1 -34.6 47 78 A L H >X S+ 0 0 60 -4,-1.5 4,-1.4 -5,-0.2 3,-0.9 0.988 113.7 49.2 -61.3 -57.2 246.3 133.4 -34.4 48 79 A R H >X S+ 0 0 61 -4,-3.3 4,-1.8 1,-0.3 3,-0.8 0.906 111.8 47.7 -48.2 -52.6 246.9 129.7 -34.5 49 80 A T H 3< S+ 0 0 83 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.760 112.4 49.3 -65.3 -24.3 244.7 129.1 -37.5 50 81 A T H << S+ 0 0 78 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.637 118.3 40.3 -88.0 -12.5 246.3 132.0 -39.4 51 82 A L H << S+ 0 0 139 -4,-1.4 -2,-0.2 -3,-0.8 -3,-0.2 0.589 87.5 103.2-108.1 -13.4 249.8 130.8 -38.6 52 83 A R < - 0 0 69 -4,-1.8 -4,-0.0 -5,-0.2 0, 0.0 -0.606 67.1-133.5 -79.0 119.5 249.5 127.0 -39.0 53 84 A P - 0 0 66 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.203 33.8 -90.2 -63.9 157.8 250.9 125.6 -42.3 54 85 A S > - 0 0 56 1,-0.1 4,-2.0 4,-0.0 3,-0.4 -0.380 29.8-122.6 -68.4 150.6 248.9 123.2 -44.3 55 86 A P H > S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.911 115.5 62.5 -58.8 -39.2 249.5 119.5 -43.5 56 87 A S H > S+ 0 0 67 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.892 104.8 47.3 -49.1 -46.0 250.4 119.1 -47.1 57 88 A F H >> S+ 0 0 100 -3,-0.4 4,-2.0 2,-0.2 3,-0.8 0.936 109.2 50.2 -65.1 -51.7 253.3 121.6 -46.5 58 89 A I H 3X S+ 0 0 69 -4,-2.0 4,-3.0 1,-0.3 5,-0.3 0.931 106.2 56.0 -55.2 -47.4 254.6 120.0 -43.3 59 90 A H H 3X S+ 0 0 27 -4,-2.7 4,-0.5 1,-0.2 -1,-0.3 0.824 107.3 54.8 -54.7 -28.0 254.7 116.5 -45.0 60 91 A F H X< S+ 0 0 102 -4,-0.8 3,-1.3 -3,-0.8 -2,-0.2 0.964 108.0 43.5 -69.1 -54.5 256.8 118.4 -47.5 61 92 A L H >X S+ 0 0 69 -4,-2.0 3,-1.3 1,-0.3 4,-0.9 0.913 112.3 55.4 -57.4 -41.8 259.4 119.7 -45.1 62 93 A L H 3< S+ 0 0 22 -4,-3.0 263,-1.7 1,-0.3 264,-0.5 0.656 113.4 41.8 -67.2 -14.2 259.5 116.3 -43.4 63 94 A T T << S+ 0 0 28 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.055 116.7 39.2-123.1 28.5 260.3 114.6 -46.7 64 95 A H T <4 S+ 0 0 99 -3,-1.3 2,-4.1 1,-0.1 -3,-0.1 0.647 76.2 84.2-139.6 -52.8 262.9 116.9 -48.3 65 96 A G X + 0 0 27 -4,-0.9 2,-3.2 1,-0.2 4,-3.1 -0.145 46.7 172.6 -62.3 55.1 265.7 118.7 -46.4 66 97 A R T 4 S+ 0 0 127 -2,-4.1 -1,-0.2 1,-0.2 -3,-0.0 0.166 80.7 38.7 -55.9 27.5 268.0 115.7 -46.6 67 98 A W T > S+ 0 0 210 -2,-3.2 4,-1.6 3,-0.0 -1,-0.2 0.392 112.9 50.2-137.8 -50.4 270.7 118.0 -45.1 68 99 A L H > S+ 0 0 96 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.840 114.2 50.3 -63.0 -32.3 268.7 120.1 -42.6 69 100 A W H X S+ 0 0 20 -4,-3.1 4,-3.2 2,-0.2 -1,-0.2 0.893 103.0 54.8 -75.9 -40.6 267.4 116.8 -41.3 70 101 A D H > S+ 0 0 85 -5,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.875 116.1 42.6 -59.5 -34.6 270.7 115.0 -40.9 71 102 A F H >< S+ 0 0 130 -4,-1.6 3,-1.5 2,-0.2 -2,-0.2 0.978 114.4 46.9 -71.7 -62.1 271.7 118.0 -38.7 72 103 A V H >< S+ 0 0 9 -4,-2.7 3,-1.1 1,-0.3 6,-0.3 0.840 109.3 59.9 -47.5 -36.8 268.5 118.3 -36.8 73 104 A N H 3< S+ 0 0 23 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.824 101.2 51.9 -63.3 -35.2 268.8 114.5 -36.4 74 105 A A T << S+ 0 0 86 -3,-1.5 2,-0.3 -4,-0.9 -1,-0.3 -0.051 108.3 59.2 -95.5 33.8 272.1 114.8 -34.5 75 106 A T S X S- 0 0 30 -3,-1.1 3,-2.5 1,-0.0 4,-0.4 -0.954 98.1 -92.7-151.3 169.4 270.9 117.3 -32.0 76 107 A F T 3> S+ 0 0 144 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.719 110.8 84.9 -54.5 -24.4 268.3 117.9 -29.3 77 108 A I H 3> S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.703 84.7 59.7 -54.3 -17.1 266.3 119.4 -32.1 78 109 A R H <> S+ 0 0 40 -3,-2.5 4,-3.5 -6,-0.3 5,-0.3 0.977 103.8 44.5 -73.4 -61.4 265.2 115.8 -32.6 79 110 A D H > S+ 0 0 48 -4,-0.4 4,-3.0 1,-0.3 5,-0.2 0.833 112.7 55.9 -51.0 -36.2 263.7 115.3 -29.1 80 111 A T H X S+ 0 0 72 -4,-2.4 4,-1.9 2,-0.2 -1,-0.3 0.949 111.9 40.0 -63.5 -50.9 262.1 118.7 -29.6 81 112 A L H X S+ 0 0 43 -4,-1.7 4,-3.8 2,-0.2 -2,-0.2 0.964 115.6 51.7 -64.0 -51.0 260.4 117.6 -32.8 82 113 A M H X S+ 0 0 4 -4,-3.5 4,-2.6 1,-0.3 -2,-0.2 0.939 111.5 47.5 -51.7 -50.4 259.6 114.2 -31.5 83 114 A R H X S+ 0 0 107 -4,-3.0 4,-1.3 -5,-0.3 -1,-0.3 0.862 114.1 48.1 -59.0 -35.6 258.0 115.7 -28.4 84 115 A L H X S+ 0 0 102 -4,-1.9 4,-1.6 -5,-0.2 5,-0.4 0.992 109.6 52.6 -66.1 -59.5 256.1 118.1 -30.7 85 116 A V H X S+ 0 0 30 -4,-3.8 4,-2.0 2,-0.2 5,-0.3 0.886 112.2 44.6 -38.0 -64.0 255.0 115.3 -33.0 86 117 A L H X S+ 0 0 4 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.965 114.2 44.8 -47.5 -79.8 253.5 113.1 -30.2 87 118 A T H X S+ 0 0 44 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.835 116.0 43.8 -29.8 -74.0 251.6 115.8 -28.2 88 119 A V H < S+ 0 0 88 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.853 120.5 41.6 -45.3 -50.2 250.0 117.6 -31.1 89 120 A R H >< S+ 0 0 34 -4,-2.0 3,-1.6 -5,-0.4 -1,-0.2 0.989 116.8 47.1 -63.2 -59.7 249.0 114.4 -32.8 90 121 A S H >< S+ 0 0 5 -4,-3.1 3,-1.2 -5,-0.3 -2,-0.2 0.691 95.4 75.3 -57.2 -22.1 247.9 112.6 -29.7 91 122 A N T 3< S+ 0 0 136 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.1 0.360 85.1 69.8 -74.4 9.4 245.9 115.6 -28.5 92 123 A L T < S+ 0 0 34 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.625 79.0 77.9-101.5 -15.4 243.3 114.6 -31.1 93 124 A I S < S- 0 0 17 -3,-1.2 -1,-0.1 404,-0.2 27,-0.0 -0.842 85.4-122.4-101.7 107.5 241.9 111.4 -29.6 94 125 A P - 0 0 41 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 -0.147 30.8-150.8 -48.8 132.0 239.4 112.0 -26.8 95 126 A S S S+ 0 0 30 2,-0.2 246,-0.1 -4,-0.1 249,-0.0 -0.864 85.1 46.8-159.5 120.4 240.5 110.3 -23.6 96 127 A P S S- 0 0 74 0, 0.0 15,-0.1 0, 0.0 249,-0.0 0.425 118.2-106.5 -45.2 148.1 238.7 109.3 -21.4 97 128 A P - 0 0 18 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 -0.109 33.3-156.0 -60.9 158.2 236.8 107.8 -24.4 98 129 A T + 0 0 23 21,-0.3 9,-0.3 1,-0.3 7,-0.1 0.755 48.4 5.7-102.2 -96.8 233.6 109.2 -25.7 99 130 A Y B -C 119 0C 23 20,-0.8 20,-2.4 7,-0.1 2,-0.3 -0.421 49.5-171.1 -95.9 169.3 230.9 107.4 -27.7 100 131 A N B > -D 103 0D 0 3,-1.7 3,-0.7 18,-0.3 18,-0.2 -0.877 50.3 -77.4-146.3 174.9 230.2 103.9 -28.9 101 132 A I T 3 S+ 0 0 47 16,-0.5 3,-0.1 87,-0.3 17,-0.1 0.716 131.5 44.2 -51.0 -22.5 227.9 102.0 -31.2 102 133 A A T 3 S+ 0 0 47 1,-0.2 2,-0.4 86,-0.1 -1,-0.3 0.754 114.7 42.8 -96.4 -28.4 225.3 102.3 -28.4 103 134 A H B < -D 100 0D 35 -3,-0.7 -3,-1.7 4,-0.1 -1,-0.2 -0.964 45.1-171.3-131.6 125.4 225.6 105.9 -27.3 104 135 A D S S+ 0 0 59 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.247 81.4 50.9 -98.0 42.0 226.1 109.1 -29.2 105 136 A Y S S- 0 0 134 -7,-0.1 -5,-0.2 -5,-0.1 5,-0.2 -0.958 101.4 -75.1-169.1 157.4 226.7 110.9 -25.9 106 137 A I + 0 0 118 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.1 -0.305 57.5 162.9 -61.5 146.4 228.9 110.6 -22.8 107 138 A S > - 0 0 24 -9,-0.3 4,-2.2 -4,-0.1 5,-0.1 -0.959 51.2-123.8-164.6 147.5 227.8 107.8 -20.4 108 139 A W H > S+ 0 0 192 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.802 115.8 56.6 -63.4 -27.8 229.1 105.8 -17.5 109 140 A E H > S+ 0 0 76 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.969 107.0 47.3 -65.5 -53.3 228.2 102.8 -19.6 110 141 A S H 4 S+ 0 0 5 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.9 50.6 -55.2 -45.3 230.4 103.9 -22.5 111 142 A F H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.971 122.0 29.6 -58.0 -56.5 233.3 104.7 -20.3 112 143 A S H < S+ 0 0 55 -4,-2.1 2,-2.2 -5,-0.1 -2,-0.2 0.702 91.4 89.2 -82.1 -28.1 233.4 101.4 -18.4 113 144 A N >< - 0 0 49 -4,-3.2 3,-2.0 1,-0.2 -1,-0.1 -0.468 54.1-174.2 -77.6 79.5 232.0 98.7 -20.9 114 145 A V T 3 S+ 0 0 47 -2,-2.2 -1,-0.2 1,-0.3 81,-0.1 0.568 71.9 76.5 -48.4 -11.9 235.4 97.8 -22.4 115 146 A S T 3 S+ 0 0 34 74,-0.1 75,-2.1 78,-0.1 -1,-0.3 0.904 77.6 84.5 -69.9 -40.4 233.6 95.5 -24.9 116 147 A Y B < S-E 189 0E 34 -3,-2.0 73,-0.2 73,-0.2 2,-0.1 -0.392 77.3-135.2 -65.0 133.1 232.4 98.4 -27.0 117 148 A Y - 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0 0 33 -2,-0.8 3,-3.2 1,-0.1 4,-0.3 -0.755 33.8-162.1-142.1 90.3 261.3 107.9 -25.3 332 363 A P G > S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.743 88.9 68.8 -42.9 -28.8 258.4 107.8 -22.8 333 364 A E G > S+ 0 0 107 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.714 78.1 77.6 -67.7 -21.6 260.1 110.6 -21.0 334 365 A L G < S+ 0 0 4 -3,-3.2 -1,-0.3 1,-0.3 3,-0.2 0.729 101.3 40.8 -60.7 -21.9 259.5 113.1 -23.8 335 366 A L G X S+ 0 0 3 -3,-1.3 3,-2.3 -4,-0.3 -1,-0.3 0.398 83.0 104.1-104.9 -0.4 255.9 113.3 -22.6 336 367 A F T < S+ 0 0 71 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.735 85.5 45.1 -54.7 -21.5 256.7 113.4 -18.9 337 368 A G T 3 S+ 0 0 79 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.381 101.9 82.5-104.3 5.5 256.1 117.1 -18.8 338 369 A A S < S- 0 0 46 -3,-2.3 2,-0.8 2,-0.0 -3,-0.1 -0.250 88.1-101.6 -97.4-175.6 252.9 117.1 -20.8 339 370 A Q + 0 0 200 -2,-0.1 2,-0.4 2,-0.0 -3,-0.1 -0.921 60.6 154.0-109.9 98.0 249.2 116.5 -19.9 340 371 A F - 0 0 33 -2,-0.8 2,-0.6 -5,-0.1 -249,-0.0 -0.995 39.8-139.5-136.1 131.0 248.8 113.0 -21.2 341 372 A Q - 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0 0 22 -3,-1.9 50,-0.4 -4,-0.2 40,-0.1 -0.380 69.7-136.4 -66.4 134.5 249.1 91.6 -50.0 361 392 A P - 0 0 2 0, 0.0 49,-0.1 0, 0.0 3,-0.1 0.286 20.6-107.0 -71.9-162.1 250.9 90.4 -53.2 362 393 A D S S- 0 0 75 1,-0.4 11,-0.3 48,-0.1 2,-0.2 0.809 97.3 -5.6 -97.9 -47.3 249.8 88.2 -56.1 363 394 A S S S- 0 0 34 9,-0.1 2,-0.6 10,-0.1 -1,-0.4 -0.777 75.5-108.5-136.5 179.6 251.7 85.1 -55.1 364 395 A F E -P 371 0P 6 7,-2.9 7,-0.6 -2,-0.2 2,-0.5 -0.897 25.5-156.4-122.4 104.9 254.3 84.3 -52.4 365 396 A R E +P 370 0P 33 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.677 16.7 173.0 -83.4 123.7 257.9 83.8 -53.5 366 397 A V E > -P 369 0P 7 3,-1.2 3,-0.7 -2,-0.5 4,-0.1 -0.589 66.8 -63.5-127.3 66.1 259.9 81.7 -51.1 367 398 A G T 3 S- 0 0 60 1,-0.3 -1,-0.1 -2,-0.2 23,-0.0 -0.767 115.0 -13.7 92.0-130.7 263.2 81.2 -53.1 368 399 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.871 125.3 83.0 -74.8 -31.5 262.8 79.3 -56.3 369 400 A Q E < -P 366 0P 26 -3,-0.7 -3,-1.2 1,-0.1 -2,-0.0 -0.207 61.8-165.3 -65.5 159.9 259.3 78.2 -55.2 370 401 A D E -P 365 0P 90 -5,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.310 10.5-163.0-149.2 61.3 256.4 80.5 -55.8 371 402 A Y E -P 364 0P 50 -7,-0.6 -7,-2.9 -8,-0.1 2,-0.2 0.127 5.9-144.8 -45.1 155.1 253.3 79.5 -53.7 372 403 A S > - 0 0 45 -9,-0.2 4,-2.9 5,-0.1 5,-0.2 -0.542 36.6 -87.5-113.7-178.9 249.8 80.8 -54.5 373 404 A Y H > S+ 0 0 10 -11,-0.3 4,-1.9 2,-0.2 -10,-0.1 0.878 129.5 49.9 -60.3 -36.9 246.9 81.6 -52.2 374 405 A E H 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.964 115.7 41.5 -64.8 -52.7 245.7 78.0 -52.4 375 406 A Q H 4 S+ 0 0 92 1,-0.1 -2,-0.2 3,-0.1 -1,-0.2 0.834 125.7 38.4 -62.7 -33.2 249.2 76.7 -51.5 376 407 A F H >< S+ 0 0 0 -4,-2.9 3,-2.6 2,-0.1 -3,-0.2 0.973 93.8 79.5 -83.8 -70.0 249.6 79.5 -48.9 377 408 A L T 3< S- 0 0 57 -4,-1.9 -113,-0.2 1,-0.3 3,-0.1 -0.037 116.7 -3.4 -41.1 142.7 246.4 80.1 -47.1 378 409 A F T 3 S+ 0 0 99 -115,-2.4 -1,-0.3 1,-0.1 -114,-0.2 0.447 91.3 150.6 50.2 -2.5 245.8 77.5 -44.4 379 410 A N < - 0 0 40 -3,-2.6 -1,-0.1 -116,-0.2 -3,-0.1 -0.177 29.7-163.9 -48.7 160.9 249.0 75.7 -45.5 380 411 A T S S+ 0 0 68 -3,-0.1 -1,-0.1 -117,-0.0 4,-0.1 0.221 70.4 37.5-143.0 24.1 250.2 74.1 -42.3 381 412 A S S > S+ 0 0 64 2,-0.1 4,-3.6 3,-0.1 5,-0.2 0.415 79.2 96.7-146.3 -16.6 253.8 73.0 -42.8 382 413 A M H >>S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.879 88.4 55.0 -46.4 -42.2 255.5 75.8 -44.8 383 414 A L H >5S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.960 117.4 30.1 -58.0 -58.8 256.7 77.2 -41.5 384 415 A V H 45S+ 0 0 20 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.723 120.4 56.9 -76.7 -20.3 258.4 74.1 -40.2 385 416 A D H <5S+ 0 0 72 -4,-3.6 -2,-0.2 1,-0.1 -3,-0.2 0.992 121.3 24.2 -71.1 -61.2 259.3 73.0 -43.7 386 417 A Y H <5S- 0 0 67 -4,-3.0 4,-0.4 -5,-0.2 -2,-0.2 0.907 104.5-133.3 -70.8 -47.5 261.1 76.2 -44.7 387 418 A G X< - 0 0 11 -4,-2.5 4,-3.3 -5,-0.5 5,-0.3 0.188 21.1 -90.0 100.3 139.3 262.2 77.5 -41.3 388 419 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.941 123.9 52.7 -44.9 -64.6 262.1 81.0 -39.7 389 420 A E H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.896 116.9 38.9 -36.2 -64.7 265.5 82.0 -41.0 390 421 A A H > S+ 0 0 46 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.834 116.3 49.4 -60.3 -39.4 264.5 81.1 -44.6 391 422 A L H X S+ 0 0 0 -4,-3.3 4,-1.4 2,-0.2 -1,-0.2 0.789 110.1 50.3 -75.0 -26.5 260.9 82.4 -44.4 392 423 A V H >X S+ 0 0 0 -4,-2.8 4,-3.5 -3,-0.4 3,-0.5 0.957 110.2 50.7 -70.6 -51.7 261.8 85.8 -43.0 393 424 A D H 3X S+ 0 0 46 -4,-2.2 4,-0.5 -5,-0.4 -2,-0.2 0.851 109.5 52.8 -52.1 -36.9 264.5 86.2 -45.7 394 425 A A H 3X S+ 0 0 8 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.3 0.858 114.8 38.8 -70.2 -36.7 261.8 85.4 -48.2 395 426 A F H << S+ 0 0 1 -4,-1.4 -230,-0.9 -3,-0.5 -229,-0.8 0.919 109.7 58.6 -79.8 -45.1 259.3 88.0 -47.0 396 427 A S H < S+ 0 0 0 -4,-3.5 -1,-0.2 150,-0.3 -2,-0.2 0.681 111.7 46.9 -57.7 -14.3 261.9 90.6 -46.3 397 428 A R H < S+ 0 0 128 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.759 94.7 76.2-100.5 -29.6 262.7 90.3 -50.0 398 429 A Q S < S- 0 0 27 -4,-1.1 -233,-2.3 -3,-0.5 -232,-0.3 -0.702 82.4-120.3 -87.4 134.0 259.4 90.3 -51.8 399 430 A P B -K 164 0K 55 0, 0.0 -235,-0.3 0, 0.0 2,-0.1 -0.280 18.2-139.6 -70.1 156.9 257.7 93.7 -52.1 400 431 A A - 0 0 0 -237,-1.8 -241,-1.1 -241,-0.1 2,-0.3 -0.213 30.3 -93.9 -97.7-167.6 254.3 94.6 -50.7 401 432 A G B -I 158 0I 0 -42,-0.7 2,-0.1 -243,-0.3 -242,-0.1 -0.847 34.8 -92.8-119.6 154.9 251.7 96.7 -52.5 402 433 A R - 0 0 56 -245,-2.1 -245,-0.1 -2,-0.3 4,-0.1 -0.386 31.6-152.6 -59.7 130.6 250.7 100.3 -52.5 403 434 A I S S+ 0 0 4 83,-1.0 84,-0.2 -2,-0.1 3,-0.2 0.912 72.3 31.0 -73.6 -44.2 248.0 100.8 -50.0 404 435 A G S S+ 0 0 1 82,-2.0 2,-0.7 1,-0.1 73,-0.1 0.006 76.1 81.3 -98.0-155.4 246.3 103.8 -51.5 405 436 A G S S- 0 0 22 74,-1.3 -1,-0.1 -2,-0.0 47,-0.1 -0.189 95.9 -97.8 88.8 -44.9 245.8 105.1 -55.1 406 437 A G S S+ 0 0 7 -2,-0.7 -255,-0.2 -3,-0.2 72,-0.1 -0.020 94.0 51.0 106.4 148.2 242.9 102.8 -55.7 407 438 A R S S+ 0 0 62 -257,-2.1 -253,-0.6 -260,-0.1 -255,-0.2 0.976 70.9 110.9 57.6 65.6 242.5 99.4 -57.4 408 439 A N + 0 0 3 -257,-0.9 2,-0.6 -255,-0.2 -256,-0.2 0.231 35.1 111.7-152.7 21.1 245.2 97.4 -55.7 409 440 A I B S-h 152 0H 3 -258,-1.8 -256,-2.8 -50,-0.1 5,-0.1 -0.895 70.8-119.0-100.5 115.2 243.5 94.8 -53.5 410 441 A D > - 0 0 12 -2,-0.6 4,-0.7 -50,-0.4 3,-0.2 -0.095 22.1-119.9 -47.9 151.7 244.0 91.2 -54.9 411 442 A H T >4 S+ 0 0 97 -258,-0.2 3,-1.1 1,-0.2 4,-0.5 0.922 105.3 67.0 -64.6 -46.7 240.7 89.5 -55.8 412 443 A H T 34 S+ 0 0 83 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.882 116.3 26.6 -39.2 -54.0 241.1 86.6 -53.4 413 444 A I T >> S+ 0 0 22 1,-0.2 3,-2.2 -3,-0.2 4,-0.6 0.483 87.9 108.6 -92.1 -4.2 240.7 88.9 -50.4 414 445 A L H > S+ 0 0 115 -3,-0.5 4,-1.8 -4,-0.5 3,-0.5 0.897 85.9 61.8 -67.5 -37.2 235.8 90.2 -50.1 416 447 A V H X> S+ 0 0 29 -3,-2.2 4,-2.1 1,-0.3 3,-0.6 0.948 101.6 52.4 -50.9 -54.5 237.2 91.7 -46.9 417 448 A A H 3X S+ 0 0 1 -4,-0.6 4,-2.0 1,-0.3 -1,-0.3 0.808 104.8 56.1 -51.8 -37.2 236.9 95.3 -48.3 418 449 A V H X S+ 0 0 35 -4,-5.0 4,-2.7 1,-0.2 3,-1.2 0.951 106.7 61.2 -57.3 -54.2 230.0 97.2 -41.7 424 455 A S H 3X>S+ 0 0 2 -4,-3.8 5,-1.6 1,-0.3 4,-1.0 0.843 106.8 48.9 -40.0 -40.9 230.9 100.9 -41.9 425 456 A R H 3<5S+ 0 0 54 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.818 106.8 52.8 -71.8 -34.7 227.2 101.4 -42.9 426 457 A V H <<5S+ 0 0 76 -4,-1.3 -2,-0.2 -3,-1.2 -1,-0.2 0.929 112.4 46.9 -64.7 -44.7 225.8 99.3 -40.0 427 458 A L H <5S- 0 0 2 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.741 106.4-136.9 -67.5 -25.7 227.9 101.4 -37.7 428 459 A R T <5 - 0 0 39 -4,-1.0 -304,-2.3 -5,-0.4 -3,-0.2 0.969 27.1-169.1 65.3 53.6 226.7 104.5 -39.5 429 460 A L < - 0 0 3 -5,-1.6 -1,-0.1 -306,-0.2 43,-0.1 -0.535 25.0-109.4 -73.9 141.1 230.0 106.3 -39.7 430 461 A Q - 0 0 5 -308,-0.4 42,-0.3 -2,-0.2 -1,-0.1 -0.144 50.9 -70.2 -65.0 167.1 229.8 109.9 -40.8 431 462 A P >> - 0 0 6 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.250 42.4-108.3 -64.0 146.4 231.1 111.0 -44.3 432 463 A F H >> S+ 0 0 2 38,-1.2 4,-2.1 1,-0.3 3,-0.8 0.873 120.2 53.7 -35.3 -60.7 234.8 111.1 -45.2 433 464 A N H 3> S+ 0 0 3 34,-0.3 4,-2.7 1,-0.3 -1,-0.3 0.873 104.0 54.5 -46.5 -46.8 234.7 114.9 -45.3 434 465 A E H <> S+ 0 0 31 -3,-1.0 4,-2.1 34,-0.3 -1,-0.3 0.912 111.7 45.1 -57.3 -39.8 233.3 115.0 -41.8 435 466 A Y H S+ 0 0 11 -4,-2.1 5,-1.7 -5,-0.3 3,-0.5 0.959 108.8 44.6 -66.4 -48.9 238.6 115.0 -42.7 437 468 A K H >X5S+ 0 0 60 -4,-2.7 3,-2.9 1,-0.2 4,-0.6 0.991 108.4 57.5 -54.5 -65.1 237.5 118.1 -40.7 438 469 A R H 3<5S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 106.3 50.2 -37.7 -34.7 237.7 116.3 -37.4 439 470 A F T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.078 129.5 -90.6 -99.7 29.4 241.3 115.4 -38.0 440 471 A G T <45S+ 0 0 56 -3,-2.9 2,-0.2 1,-0.2 -3,-0.2 0.818 87.4 114.0 73.1 36.4 242.4 118.9 -38.9 441 472 A M << - 0 0 23 -5,-1.7 -1,-0.2 -4,-0.6 -387,-0.0 -0.721 66.3 -99.7-127.7 177.9 241.9 119.0 -42.6 442 473 A K - 0 0 64 -2,-0.2 2,-0.1 1,-0.0 3,-0.1 -0.797 40.5-111.0-100.0 140.9 239.7 120.7 -45.2 443 474 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 25,-0.1 -0.468 39.7-105.2 -68.6 141.6 236.7 118.9 -46.7 444 475 A Y - 0 0 7 1,-0.1 3,-0.1 -2,-0.1 -11,-0.1 -0.417 21.8-153.9 -66.7 143.4 237.3 117.9 -50.4 445 476 A T S S+ 0 0 108 1,-0.2 2,-0.3 -2,-0.1 22,-0.2 0.543 73.6 5.4 -95.0 -9.0 235.3 120.1 -52.8 446 477 A S > - 0 0 38 21,-0.1 4,-1.7 1,-0.1 -1,-0.2 -0.981 65.8-116.6-165.5 161.7 235.1 117.5 -55.5 447 478 A F H > S+ 0 0 8 -2,-0.3 4,-3.1 2,-0.2 10,-0.1 0.812 118.7 59.9 -73.9 -29.8 236.0 113.9 -56.4 448 479 A Q H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 9,-0.1 0.927 107.7 44.8 -61.1 -42.2 238.3 115.3 -59.0 449 480 A E H 4 S+ 0 0 82 1,-0.1 -2,-0.2 8,-0.0 -1,-0.2 0.858 114.0 50.8 -69.9 -35.1 240.0 117.0 -56.1 450 481 A L H < S+ 0 0 0 -4,-1.7 30,-1.6 29,-0.1 2,-0.3 0.995 111.9 46.0 -63.7 -64.3 239.9 113.8 -54.1 451 482 A T S < S- 0 0 5 -4,-3.1 28,-0.1 28,-0.2 -1,-0.1 -0.627 81.4-133.0 -84.2 135.4 241.4 111.5 -56.7 452 483 A G S S+ 0 0 66 -2,-0.3 -1,-0.1 -47,-0.1 -4,-0.1 0.719 89.4 51.1 -59.5 -18.9 244.5 112.7 -58.6 453 484 A E S S- 0 0 64 1,-0.1 -2,-0.1 0, 0.0 27,-0.1 0.007 76.8-130.5-100.6-153.8 242.8 111.7 -61.9 454 485 A K S > S+ 0 0 72 3,-0.1 4,-2.2 -5,-0.0 5,-0.2 0.526 89.6 65.4-134.7 -29.7 239.5 112.3 -63.6 455 486 A E H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.1 3,-0.5 0.991 107.8 36.3 -61.3 -80.0 238.2 108.9 -64.7 456 487 A M H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.867 117.2 58.1 -36.5 -52.6 237.6 107.2 -61.3 457 488 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.908 104.9 45.7 -45.3 -61.7 236.5 110.5 -59.9 458 489 A A H X S+ 0 0 59 -4,-2.2 4,-2.3 -3,-0.5 -1,-0.2 0.882 111.0 54.4 -53.9 -43.9 233.6 111.2 -62.4 459 490 A E H X S+ 0 0 38 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.857 109.1 48.3 -60.6 -37.6 232.3 107.7 -62.0 460 491 A L H >X>S+ 0 0 0 -4,-1.9 4,-3.0 -3,-0.5 3,-1.1 0.938 108.1 52.2 -70.1 -48.6 232.1 108.1 -58.2 461 492 A E H 3X5S+ 0 0 113 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.934 106.9 55.8 -50.8 -46.2 230.3 111.5 -58.4 462 493 A E H 3<5S+ 0 0 132 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.799 116.9 36.7 -55.5 -31.6 227.9 109.7 -60.7 463 494 A L H <<5S+ 0 0 24 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.943 126.6 31.3 -87.0 -59.9 227.4 107.1 -57.8 464 495 A Y H <5S- 0 0 3 -4,-3.0 -327,-0.3 1,-0.1 -3,-0.2 0.708 87.5-151.4 -73.8 -21.4 227.5 109.1 -54.6 465 496 A G S <> S- 0 0 47 -6,-0.2 3,-1.6 -2,-0.1 4,-0.7 -0.963 74.1-136.8-153.3 131.8 227.9 114.4 -53.9 467 498 A I G >4 S+ 0 0 12 -2,-0.3 3,-1.3 1,-0.3 -34,-0.3 0.886 107.0 61.7 -52.7 -40.7 231.4 114.4 -52.6 468 499 A D G 34 S+ 0 0 52 1,-0.3 -1,-0.3 -23,-0.1 -34,-0.3 0.745 98.9 55.4 -58.4 -27.1 230.0 115.1 -49.1 469 500 A A G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 -38,-0.1 -2,-0.2 0.694 80.9 120.6 -81.6 -19.4 228.2 111.8 -49.2 470 501 A L << - 0 0 0 -3,-1.3 -38,-1.2 -4,-0.7 2,-0.2 0.042 63.5-113.3 -42.9 154.1 231.3 109.8 -49.9 471 502 A E > - 0 0 2 -40,-0.2 4,-1.9 -39,-0.1 5,-0.2 -0.546 11.2-116.8 -98.4 160.6 232.2 107.1 -47.3 472 503 A F H > S+ 0 0 2 -42,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.962 108.2 37.3 -57.0 -63.8 235.1 106.7 -44.8 473 504 A Y H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.917 118.4 47.9 -61.6 -46.3 236.8 103.5 -46.1 474 505 A P H > S+ 0 0 2 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.898 111.4 51.7 -62.5 -39.5 236.4 104.2 -49.8 475 506 A G H >X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 3,-0.7 0.969 107.7 50.6 -60.6 -55.2 237.7 107.7 -49.5 476 507 A L H 3< S+ 0 0 4 -4,-2.1 12,-0.3 1,-0.3 3,-0.3 0.896 118.4 38.8 -49.6 -45.2 240.8 106.8 -47.6 477 508 A L H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.631 118.1 48.2 -84.6 -12.9 241.6 104.1 -50.2 478 509 A L H << S+ 0 0 3 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.421 87.7 109.3-103.5 -1.8 240.5 106.2 -53.2 479 510 A E S < S- 0 0 0 -4,-1.4 -74,-1.3 -3,-0.3 9,-0.3 -0.476 82.1 -97.1 -75.1 146.6 242.4 109.3 -52.1 480 511 A K - 0 0 88 -30,-1.6 9,-0.7 -31,-0.2 -1,-0.1 -0.395 41.1-120.5 -64.6 132.9 245.4 110.4 -54.1 481 512 A C B -Q 488 0Q 29 7,-0.2 7,-0.3 -2,-0.1 3,-0.1 -0.412 28.1-102.2 -73.2 150.8 248.7 109.2 -52.6 482 513 A H > - 0 0 25 5,-1.0 3,-3.0 1,-0.2 -1,-0.1 -0.466 67.3 -72.0 -65.0 146.5 251.4 111.7 -51.5 483 514 A P T 3 S- 0 0 115 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.184 117.8 -6.7 -47.4 120.1 254.0 111.5 -54.3 484 515 A N T 3 S+ 0 0 133 1,-0.2 2,-0.1 -3,-0.1 -2,-0.1 0.552 106.7 134.9 68.5 11.1 255.9 108.2 -54.0 485 516 A S < - 0 0 11 -3,-3.0 -1,-0.2 -325,-0.1 -81,-0.1 -0.454 69.2-122.4 -88.7 161.0 254.1 107.5 -50.8 486 517 A I S S- 0 0 0 -165,-0.4 -82,-2.0 1,-0.2 -83,-1.0 0.799 93.7 -9.7 -71.2 -27.5 252.5 104.2 -49.7 487 518 A F S S- 0 0 12 -84,-0.2 -5,-1.0 -85,-0.1 -1,-0.2 -0.978 82.2 -79.9-161.8 170.3 249.3 106.1 -49.3 488 519 A G B > -Q 481 0Q 1 -9,-0.3 4,-0.8 -12,-0.3 3,-0.4 0.247 47.3 -84.7 -69.9-171.5 247.7 109.6 -49.3 489 520 A E H >> S+ 0 0 20 -9,-0.7 4,-1.9 1,-0.2 3,-1.3 0.972 117.2 55.4 -58.3 -63.0 247.2 112.5 -46.9 490 521 A S H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 5,-0.2 0.679 100.0 61.9 -48.8 -25.9 244.1 111.3 -45.0 491 522 A M H 3> S+ 0 0 6 -3,-0.4 4,-1.5 -15,-0.2 -1,-0.3 0.896 111.9 34.7 -70.6 -40.5 245.7 108.0 -44.0 492 523 A I H S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.933 114.8 40.4 -59.0 -47.6 246.7 110.3 -33.8 498 529 A F H X S+ 0 0 7 -4,-0.7 4,-1.2 -3,-0.2 -2,-0.2 0.893 118.7 52.7 -65.6 -38.6 245.0 107.0 -33.2 499 530 A S H X S+ 0 0 26 -4,-2.9 4,-1.8 2,-0.2 -3,-0.2 0.954 114.8 32.3 -65.0 -58.7 248.4 105.3 -33.6 500 531 A L H X S+ 0 0 14 -4,-3.4 4,-2.7 2,-0.2 5,-0.5 0.852 112.6 62.7 -73.9 -30.5 250.7 107.3 -31.2 501 532 A K H X S+ 0 0 6 -4,-1.5 4,-0.6 -5,-0.5 -158,-0.2 0.899 112.9 38.7 -57.4 -37.1 247.9 107.9 -28.7 502 533 A G H < S+ 0 0 9 -4,-1.2 -305,-0.4 -5,-0.2 -1,-0.2 0.789 115.1 52.0 -83.1 -32.2 247.8 104.1 -28.4 503 534 A L H >< S+ 0 0 7 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.962 121.1 30.4 -69.9 -52.5 251.5 103.5 -28.5 504 535 A L H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.589 107.7 72.4 -83.2 -11.5 252.5 106.0 -25.8 505 536 A G T 3< S+ 0 0 2 -4,-0.6 -1,-0.2 -5,-0.5 -161,-0.2 0.441 70.3 116.4 -81.7 0.9 249.2 105.6 -23.8 506 537 A N S X S- 0 0 15 -3,-0.7 3,-3.1 -4,-0.1 4,-0.3 -0.527 76.0-124.1 -70.8 129.8 250.4 102.2 -22.7 507 538 A P G > S+ 0 0 63 0, 0.0 3,-2.0 0, 0.0 6,-0.4 0.799 108.0 67.1 -44.7 -36.6 250.8 102.0 -18.9 508 539 A I G 3 S+ 0 0 2 1,-0.3 10,-0.1 5,-0.1 7,-0.1 0.733 97.3 57.7 -59.9 -19.0 254.4 100.8 -19.3 509 540 A C G < S+ 0 0 1 -3,-3.1 -1,-0.3 -6,-0.1 -3,-0.1 0.511 83.6 101.8 -89.2 -7.1 255.1 104.3 -20.7 510 541 A S S <> S- 0 0 11 -3,-2.0 4,-2.9 -4,-0.3 3,-0.2 -0.316 85.0-112.9 -74.6 162.1 253.9 106.3 -17.7 511 542 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -178,-0.0 0.939 116.6 58.9 -59.0 -43.6 256.3 107.9 -15.3 512 543 A E T 4 S+ 0 0 127 1,-0.2 -4,-0.1 2,-0.0 3,-0.1 0.858 118.4 27.4 -50.9 -45.7 255.1 105.5 -12.6 513 544 A Y T 4 S+ 0 0 112 -6,-0.4 2,-3.1 -3,-0.2 -1,-0.2 0.808 95.0 90.1 -90.8 -35.9 256.0 102.4 -14.6 514 545 A W < + 0 0 21 -4,-2.9 2,-0.3 -7,-0.2 -1,-0.1 -0.289 64.0 116.9 -66.9 65.6 258.9 103.5 -16.8 515 546 A K S > S- 0 0 93 -2,-3.1 3,-1.0 -7,-0.1 4,-0.3 -0.811 77.3-114.7-124.8 165.9 261.5 102.5 -14.2 516 547 A A G > S+ 0 0 27 -2,-0.3 3,-0.5 1,-0.2 5,-0.5 0.679 113.3 63.0 -78.1 -15.8 264.3 99.9 -14.5 517 548 A S G 3 S+ 0 0 92 3,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.419 89.4 67.6 -88.0 3.2 262.7 97.9 -11.7 518 549 A T G < S+ 0 0 33 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.620 108.4 38.1 -92.6 -14.4 259.5 97.3 -13.8 519 550 A F S < S- 0 0 0 -3,-0.5 5,-0.3 2,-0.3 -1,-0.2 -0.100 122.0-115.3-119.9 25.1 261.6 95.2 -16.2 520 551 A G S S+ 0 0 7 -3,-0.4 4,-0.3 4,-0.1 -3,-0.2 0.879 78.4 6.8 35.8 92.9 263.4 93.8 -13.2 521 552 A G S > S- 0 0 25 -5,-0.5 4,-1.1 1,-0.1 -2,-0.3 -0.303 91.9 -82.8 102.5 171.2 267.0 95.0 -13.6 522 553 A E H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.737 123.5 67.7 -84.2 -25.6 268.9 97.3 -15.9 523 554 A V H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.843 99.6 49.7 -61.7 -36.0 269.1 94.3 -18.3 524 555 A G H >> S+ 0 0 0 -5,-0.3 4,-1.8 -4,-0.3 3,-0.9 0.990 109.5 48.6 -66.6 -59.1 265.4 94.5 -18.8 525 556 A F H 3X S+ 0 0 12 -4,-1.1 4,-2.5 -9,-0.3 -2,-0.2 0.875 111.1 50.6 -47.4 -48.8 265.2 98.3 -19.5 526 557 A N H 3X S+ 0 0 74 -4,-2.4 4,-1.2 1,-0.2 -1,-0.3 0.835 105.0 57.1 -62.5 -32.4 268.1 98.1 -22.0 527 558 A L H << S+ 0 0 26 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.896 113.5 41.3 -64.8 -36.5 266.3 95.2 -23.8 528 559 A V H >< S+ 0 0 0 -4,-1.8 3,-0.5 -3,-0.2 -2,-0.2 0.841 115.2 50.9 -77.4 -34.0 263.3 97.6 -24.2 529 560 A K H 3< S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.542 118.8 34.2 -81.9 -9.3 265.5 100.6 -25.1 530 561 A T T 3< S+ 0 0 71 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.064 81.4 141.7-134.4 27.2 267.5 98.9 -27.8 531 562 A A < + 0 0 6 -3,-0.5 2,-0.3 -4,-0.1 3,-0.1 -0.186 22.1 175.8 -66.6 162.8 265.1 96.5 -29.5 532 563 A T > - 0 0 38 1,-0.2 4,-3.1 -216,-0.0 5,-0.2 -0.973 44.4-119.6-165.5 151.0 265.1 96.0 -33.3 533 564 A L H > S+ 0 0 0 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.989 118.5 52.9 -57.5 -54.8 263.4 93.8 -35.9 534 565 A K H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.843 112.2 42.7 -46.5 -46.1 266.9 92.5 -36.7 535 566 A K H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 105.5 63.3 -70.1 -42.7 267.5 91.5 -33.1 536 567 A L H < S+ 0 0 4 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.813 119.3 27.0 -50.5 -31.6 264.0 90.1 -32.6 537 568 A V H >< S+ 0 0 0 -4,-1.6 3,-4.1 -3,-0.2 4,-0.2 0.894 117.8 51.2 -93.4 -72.4 264.9 87.6 -35.3 538 569 A e H 3< S+ 0 0 26 -4,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.493 107.8 57.0 -49.0 -4.6 268.7 87.0 -35.3 539 570 A L T 3< S+ 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -3,-0.1 0.403 112.0 41.4-106.0 -0.2 268.7 86.4 -31.6 540 571 A N S < S+ 0 0 17 -3,-4.1 2,-0.3 -5,-0.2 -2,-0.2 0.089 107.8 67.3-132.9 24.2 266.2 83.6 -31.9 541 572 A T S S- 0 0 24 -4,-0.2 3,-0.1 -3,-0.1 -4,-0.0 -0.907 80.4-119.5-138.0 163.6 267.5 81.8 -35.0 542 573 A K S S+ 0 0 138 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.844 98.7 24.4 -72.6 -33.5 270.6 79.8 -35.9 543 574 A T S S- 0 0 93 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.985 78.7-116.5-140.6 148.8 271.5 82.3 -38.5 544 575 A e - 0 0 70 -2,-0.4 3,-0.1 -3,-0.1 -10,-0.0 -0.681 36.8-179.5 -84.6 104.5 271.0 85.9 -39.4 545 576 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -7,-0.1 0.007 44.7 -69.9 -83.8-163.7 269.0 86.1 -42.7 546 577 A Y + 0 0 57 -157,-0.2 2,-0.3 -156,-0.1 -150,-0.3 -0.841 62.3 169.2 -95.5 127.7 268.1 89.4 -44.4 547 578 A V + 0 0 18 -2,-0.5 2,-0.3 -151,-0.1 -13,-0.2 -0.991 11.6 114.6-146.4 136.0 265.4 91.3 -42.5 548 579 A S - 0 0 14 -2,-0.3 -382,-0.2 -15,-0.1 -381,-0.1 -0.945 65.6-101.0-177.3 171.7 263.8 94.7 -42.6 549 580 A F S S+ 0 0 7 -2,-0.3 -385,-1.1 -383,-0.1 2,-0.3 0.267 105.5 54.8 -92.2 11.3 260.5 96.5 -43.3 550 581 A H B S-J 163 0J 85 -387,-0.3 -387,-0.2 -154,-0.1 -388,-0.1 -0.995 91.7-105.9-146.4 138.7 261.7 97.4 -46.7 551 582 A V - 0 0 36 -389,-2.6 -154,-0.2 -2,-0.3 -2,-0.1 -0.156 39.9-112.2 -58.5 151.9 263.1 95.4 -49.6 552 583 A P 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.319 360.0 360.0 -77.7 172.4 266.9 95.7 -50.2 553 584 A D 0 0 228 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.109 360.0 360.0 66.9 360.0 268.1 97.4 -53.3