==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-APR-02 1LII . COMPND 2 MOLECULE: ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR M.A.SCHUMACHER,D.M.SCOTT,I.I.MATHEWS,S.E.EALICK,D.S.ROOS, . 331 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.5 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 . 1 0.3 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-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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 1 1 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 2 0 2 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 2 1 1 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 1 0 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 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 11 A G 0 0 76 0, 0.0 149,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.3 145.0 33.6 19.2 2 12 A P + 0 0 91 0, 0.0 2,-0.6 0, 0.0 148,-0.1 0.957 360.0 49.1 -48.0 -76.1 141.5 32.5 18.2 3 13 A M + 0 0 11 146,-0.4 74,-0.2 1,-0.2 75,-0.2 -0.579 62.3 165.2 -74.2 116.5 141.6 33.4 14.5 4 14 A R + 0 0 81 73,-2.9 149,-1.3 -2,-0.6 148,-1.0 0.778 63.9 27.3 -99.6 -37.7 144.7 31.9 13.1 5 15 A V E -ab 78 153A 0 72,-1.5 74,-2.4 146,-0.1 2,-0.4 -0.995 62.1-167.7-132.5 135.5 144.1 32.1 9.4 6 16 A F E +ab 79 154A 1 147,-2.5 149,-2.9 -2,-0.4 2,-0.3 -0.978 14.3 175.2-122.1 132.6 141.9 34.5 7.4 7 17 A A E -ab 80 155A 0 72,-1.9 74,-1.6 -2,-0.4 2,-0.3 -0.955 22.6-153.0-138.4 158.6 140.9 34.0 3.8 8 18 A I E +a 81 0A 0 147,-1.4 149,-0.5 -2,-0.3 2,-0.3 -0.900 35.4 137.9-121.2 150.3 138.7 35.5 1.0 9 19 A G - 0 0 1 72,-1.6 74,-0.4 -2,-0.3 50,-0.0 -0.956 55.6 -79.9-172.5-173.3 137.4 33.3 -1.8 10 20 A N - 0 0 13 -2,-0.3 2,-0.5 72,-0.2 52,-0.2 -0.947 40.3-144.8-109.6 109.9 134.5 32.4 -4.1 11 21 A P + 0 0 0 0, 0.0 104,-0.6 0, 0.0 2,-0.3 -0.654 33.0 167.1 -78.6 123.0 132.0 30.1 -2.3 12 22 A I E -Ij 58 115B 12 46,-0.6 46,-2.9 -2,-0.5 2,-0.5 -0.957 37.0-123.7-139.8 158.0 130.7 27.6 -4.7 13 23 A L E -Ij 57 116B 19 102,-2.2 104,-2.5 -2,-0.3 2,-0.4 -0.836 26.9-142.0 -98.5 131.8 128.7 24.4 -4.9 14 24 A D E -Ij 56 117B 7 42,-3.2 42,-2.4 -2,-0.5 2,-0.6 -0.807 9.2-163.6 -99.5 136.4 130.3 21.5 -6.8 15 25 A L E -Ij 55 118B 30 102,-2.5 104,-2.8 -2,-0.4 2,-0.4 -0.969 19.5-163.0-113.9 108.7 128.3 19.2 -9.0 16 26 A V E +Ij 54 119B 10 38,-2.9 38,-2.4 -2,-0.6 2,-0.3 -0.824 17.8 156.5-103.4 136.5 130.4 16.1 -9.5 17 27 A A E - j 0 120B 7 102,-2.1 104,-2.7 -2,-0.4 2,-0.6 -0.989 40.9-125.9-157.4 146.5 129.9 13.5 -12.2 18 28 A E E + j 0 121B 136 33,-0.3 104,-0.2 -2,-0.3 102,-0.1 -0.808 42.3 177.4 -90.3 121.9 131.7 10.9 -14.1 19 29 A V - 0 0 6 102,-2.1 104,-0.2 -2,-0.6 2,-0.1 -0.898 30.0-105.0-128.7 160.1 131.2 11.6 -17.8 20 30 A P >> - 0 0 57 0, 0.0 3,-1.3 0, 0.0 4,-1.0 -0.366 34.9-110.0 -77.0 160.1 132.3 10.2 -21.1 21 31 A S H 3> S+ 0 0 41 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.801 116.7 68.2 -59.5 -27.5 134.9 11.9 -23.2 22 32 A S H 3> S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.873 95.4 55.0 -60.4 -35.2 132.2 12.7 -25.7 23 33 A F H <> S+ 0 0 6 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.883 105.5 51.6 -65.0 -38.8 130.7 15.0 -23.1 24 34 A L H <>S+ 0 0 3 -4,-1.0 5,-2.8 2,-0.2 4,-0.2 0.912 110.6 49.3 -63.5 -41.6 133.9 16.9 -22.9 25 35 A D H ><5S+ 0 0 117 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.928 109.2 50.3 -64.3 -48.4 134.0 17.3 -26.6 26 36 A E H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 114.6 45.5 -61.4 -30.6 130.4 18.6 -26.9 27 37 A F T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.345 110.4-121.2 -94.3 4.8 131.1 21.1 -24.2 28 38 A F T < 5 + 0 0 141 -3,-1.5 2,-0.4 -4,-0.2 -3,-0.2 0.892 59.4 150.9 58.3 44.5 134.4 22.3 -25.7 29 39 A L < - 0 0 13 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.2 -0.840 43.7-136.6-111.2 147.0 136.4 21.4 -22.6 30 40 A K > - 0 0 126 -2,-0.4 3,-2.4 1,-0.0 -5,-0.0 -0.881 36.0-106.6-101.0 123.7 140.0 20.3 -22.3 31 41 A R T 3 S+ 0 0 67 -2,-0.6 96,-0.1 1,-0.3 3,-0.1 -0.234 102.7 12.9 -52.0 132.0 140.5 17.4 -19.9 32 42 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.3 88,-0.2 95,-0.1 0.308 100.1 125.0 83.2 -5.5 142.2 18.5 -16.7 33 43 A D < - 0 0 62 -3,-2.4 95,-2.9 156,-0.0 2,-0.4 -0.321 50.7-145.3 -83.6 168.5 141.6 22.2 -17.3 34 44 A A E +k 128 0B 7 93,-0.2 157,-0.4 -3,-0.1 2,-0.3 -0.995 33.1 150.0-132.0 122.2 139.8 24.8 -15.1 35 45 A T E -k 129 0B 43 93,-2.4 95,-2.4 -2,-0.4 2,-0.4 -0.908 46.4-102.9-147.0 175.2 137.8 27.6 -16.8 36 46 A L E -k 130 0B 53 -2,-0.3 95,-0.2 93,-0.2 2,-0.1 -0.864 52.0 -99.0-102.0 136.0 134.8 29.9 -16.4 37 47 A A - 0 0 21 93,-2.9 95,-0.1 -2,-0.4 -1,-0.0 -0.310 32.5-149.3 -60.1 131.1 131.7 28.9 -18.4 38 48 A T >> - 0 0 68 -2,-0.1 3,-1.0 1,-0.1 4,-0.8 -0.471 38.5 -91.9 -90.8 168.2 131.1 30.7 -21.7 39 49 A P G >4 S+ 0 0 118 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.857 127.0 52.2 -49.7 -41.7 127.5 31.2 -23.0 40 50 A E G >4 S+ 0 0 122 1,-0.2 3,-0.7 2,-0.1 -3,-0.1 0.812 107.1 52.8 -67.6 -29.4 127.5 27.9 -24.9 41 51 A Q G X4 S+ 0 0 10 -3,-1.0 3,-2.6 1,-0.2 4,-0.4 0.583 81.3 91.0 -83.6 -8.0 128.7 25.9 -21.9 42 52 A M G X< S+ 0 0 73 -3,-0.9 3,-1.2 -4,-0.8 4,-0.4 0.844 77.1 66.7 -54.9 -31.3 125.9 27.3 -19.7 43 53 A R G <> S+ 0 0 152 -3,-0.7 4,-1.7 -4,-0.3 -1,-0.3 0.595 79.5 81.8 -67.6 -7.8 123.8 24.3 -20.8 44 54 A I H <> S+ 0 0 0 -3,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.888 82.1 62.1 -66.1 -35.2 126.2 22.0 -19.0 45 55 A Y H <4 S+ 0 0 35 -3,-1.2 3,-0.4 -4,-0.4 4,-0.3 0.907 109.7 36.0 -57.8 -48.8 124.5 22.6 -15.6 46 56 A S H >4 S+ 0 0 87 -4,-0.4 3,-1.2 1,-0.2 4,-0.2 0.878 113.1 59.2 -74.7 -36.1 121.1 21.2 -16.5 47 57 A T H >< S+ 0 0 20 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.683 87.4 75.4 -66.6 -18.6 122.4 18.4 -18.7 48 58 A L G >< S+ 0 0 1 -4,-1.2 3,-2.9 -3,-0.4 -1,-0.2 0.760 74.6 80.0 -66.4 -24.1 124.5 16.9 -15.9 49 59 A D G X S+ 0 0 122 -3,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.786 80.6 67.1 -54.1 -28.0 121.3 15.4 -14.3 50 60 A Q G < S+ 0 0 149 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.628 99.1 52.6 -70.2 -8.4 121.5 12.6 -16.9 51 61 A F G < S- 0 0 59 -3,-2.9 -33,-0.3 -4,-0.1 -1,-0.3 0.295 109.5-120.7-107.4 9.9 124.7 11.4 -15.2 52 62 A N < - 0 0 143 -3,-1.6 -3,-0.1 -4,-0.2 -34,-0.1 0.962 42.6-165.4 51.4 59.6 123.3 11.2 -11.7 53 63 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.183 13.0-132.7 -72.1 167.8 125.8 13.7 -10.2 54 64 A T E -I 16 0B 76 -38,-2.4 -38,-2.9 2,-0.0 2,-0.4 -0.872 16.9-141.1-116.8 151.1 126.5 14.3 -6.6 55 65 A S E +I 15 0B 79 -2,-0.3 -40,-0.2 -40,-0.2 -42,-0.0 -0.945 27.5 154.5-121.9 143.2 126.6 17.7 -5.0 56 66 A L E -I 14 0B 35 -42,-2.4 -42,-3.2 -2,-0.4 37,-0.1 -0.986 48.0 -81.0-156.4 155.7 129.0 19.0 -2.3 57 67 A P E +I 13 0B 25 0, 0.0 272,-0.3 0, 0.0 -44,-0.2 -0.286 54.3 162.1 -60.8 148.7 130.4 22.3 -1.1 58 68 A G E +I 12 0B 0 -46,-2.9 -46,-0.6 270,-0.1 -45,-0.0 -0.524 17.9 135.5-141.0-152.3 133.4 23.6 -3.1 59 69 A G > - 0 0 5 -48,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.427 54.5-118.1 100.2 116.9 135.3 26.8 -3.7 60 70 A S H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.940 111.1 37.6 -53.2 -58.0 139.2 26.6 -3.6 61 71 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.875 116.2 55.0 -64.7 -36.0 139.9 28.9 -0.7 62 72 A L H > S+ 0 0 2 -52,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.941 106.6 50.7 -62.9 -45.3 136.9 27.6 1.2 63 73 A N H X S+ 0 0 3 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.946 112.5 47.7 -57.1 -47.3 138.1 24.0 0.8 64 74 A S H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.9 0.941 112.3 46.3 -58.9 -52.4 141.5 25.1 2.2 65 75 A V H 3X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.769 105.3 62.0 -64.3 -25.5 140.3 27.0 5.2 66 76 A R H 3X S+ 0 0 15 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.3 0.823 103.0 50.2 -70.6 -27.6 137.9 24.2 6.0 67 77 A V H S- 0 0 122 -2,-2.5 3,-1.8 1,-0.1 4,-0.2 -0.241 80.9 -94.5 -55.5 139.4 138.2 25.7 18.2 75 85 A P T 3 S+ 0 0 110 0, 0.0 27,-0.2 0, 0.0 -1,-0.1 -0.228 109.0 14.3 -55.9 139.0 135.4 27.8 16.8 76 86 A G T 3 S+ 0 0 16 25,-3.2 26,-0.1 2,-0.2 -72,-0.1 0.635 79.5 135.4 71.8 14.0 136.6 30.7 14.6 77 87 A S S < S+ 0 0 0 -3,-1.8 -73,-2.9 24,-0.3 -72,-1.5 0.834 77.9 32.3 -62.2 -31.2 140.1 29.2 14.2 78 88 A A E S-a 5 0A 0 23,-0.3 25,-2.5 -4,-0.2 2,-0.3 -0.973 77.9-158.7-126.5 141.4 139.7 30.0 10.5 79 89 A G E -ac 6 103A 0 -74,-2.4 -72,-1.9 -2,-0.4 2,-0.3 -0.878 9.9-176.5-120.0 150.6 137.8 33.0 9.1 80 90 A Y E -ac 7 104A 0 23,-1.8 25,-1.5 -2,-0.3 2,-0.4 -0.988 11.1-169.4-153.3 141.5 136.4 33.4 5.6 81 91 A M E +ac 8 105A 0 -74,-1.6 -72,-1.6 -2,-0.3 2,-0.3 -0.979 27.0 127.4-129.4 141.0 134.6 36.1 3.5 82 92 A G E - c 0 106A 0 23,-0.6 25,-2.5 -2,-0.4 2,-0.4 -0.942 51.7 -92.4-171.6-179.2 133.0 35.7 0.1 83 93 A A E - c 0 107A 0 -74,-0.4 2,-0.3 -2,-0.3 25,-0.2 -0.953 32.6-177.7-119.3 134.9 129.6 36.4 -1.6 84 94 A I E - c 0 108A 1 23,-2.6 25,-2.8 -2,-0.4 2,-0.1 -0.771 29.0-109.6-118.2 164.8 126.8 33.9 -2.0 85 95 A G E - c 0 109A 0 -2,-0.3 2,-1.6 23,-0.2 28,-0.2 -0.397 35.9-101.2 -88.0 173.2 123.4 34.4 -3.8 86 96 A D S S+ 0 0 98 26,-1.0 25,-0.1 23,-0.9 -1,-0.1 -0.438 86.2 103.9 -90.8 64.4 120.1 34.7 -2.0 87 97 A D S > S- 0 0 30 -2,-1.6 4,-2.3 1,-0.1 3,-0.4 -0.885 88.6 -95.2-140.2 172.7 119.1 31.2 -2.6 88 98 A P H > S+ 0 0 112 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.844 121.7 57.5 -55.3 -32.7 118.7 27.7 -1.2 89 99 A R H > S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.933 105.5 48.5 -66.6 -42.0 122.1 26.9 -2.5 90 100 A G H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.901 108.0 56.4 -63.7 -37.9 123.7 29.7 -0.6 91 101 A Q H X S+ 0 0 93 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.883 103.3 54.0 -62.9 -36.3 121.9 28.6 2.5 92 102 A V H X S+ 0 0 64 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 109.9 46.5 -65.1 -40.0 123.5 25.1 2.2 93 103 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.945 114.0 48.6 -66.3 -45.4 127.0 26.5 2.1 94 104 A K H X S+ 0 0 67 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.938 110.6 49.5 -59.3 -49.9 126.3 28.8 5.0 95 105 A E H X S+ 0 0 135 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.880 109.7 53.2 -57.8 -40.0 124.8 26.1 7.2 96 106 A L H X S+ 0 0 52 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.908 108.2 48.5 -64.7 -41.2 127.7 23.9 6.5 97 107 A C H X>S+ 0 0 2 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.932 111.4 50.5 -65.5 -42.3 130.3 26.6 7.5 98 108 A D H ><5S+ 0 0 83 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.943 109.6 50.3 -59.9 -46.7 128.3 27.2 10.8 99 109 A K H 3<5S+ 0 0 191 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 109.2 52.5 -65.4 -20.8 128.2 23.5 11.6 100 110 A E H 3<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.545 113.5-117.0 -91.6 -8.7 132.0 23.2 11.0 101 111 A G T <<5 + 0 0 26 -3,-1.2 -25,-3.2 -4,-0.7 -24,-0.3 0.555 61.0 149.8 87.1 7.8 132.8 26.1 13.4 102 112 A L < - 0 0 9 -5,-1.8 2,-0.5 -27,-0.2 -1,-0.3 -0.470 48.2-125.1 -74.0 149.7 134.3 28.4 10.8 103 113 A A E +c 79 0A 25 -25,-2.5 -23,-1.8 -2,-0.1 2,-0.3 -0.800 42.3 171.0 -91.6 127.3 133.9 32.1 11.4 104 114 A T E -c 80 0A 26 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.972 35.0-168.8-141.2 156.6 132.3 33.7 8.3 105 115 A R E -c 81 0A 92 -25,-1.5 -23,-0.6 -2,-0.3 2,-0.3 -0.751 25.5-169.1-138.9 81.8 130.8 36.9 7.2 106 116 A F E -c 82 0A 32 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.582 14.4-142.1 -81.7 141.1 129.1 36.1 3.9 107 117 A M E -c 83 0A 55 -25,-2.5 -23,-2.6 -2,-0.3 2,-0.5 -0.797 17.8-142.1 -94.6 137.6 127.9 39.0 1.7 108 118 A V E -c 84 0A 60 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.900 5.3-154.3-107.4 129.8 124.6 38.1 0.1 109 119 A A E > -c 85 0A 5 -25,-2.8 3,-1.6 -2,-0.5 -23,-0.9 -0.843 15.3-148.8-102.2 101.7 124.0 39.2 -3.5 110 120 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -23,-0.0 -0.350 81.5 26.2 -66.4 146.6 120.3 39.5 -4.0 111 121 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -25,-0.1 -26,-0.1 0.495 108.4 91.5 81.2 -1.3 119.1 38.8 -7.5 112 122 A Q S < S- 0 0 76 -3,-1.6 -26,-1.0 -28,-0.1 2,-0.2 -0.934 71.1-121.5-129.2 154.1 122.0 36.5 -8.2 113 123 A S - 0 0 45 -2,-0.3 21,-3.1 -28,-0.2 22,-0.3 -0.594 32.6 -98.1 -94.7 153.9 122.7 32.8 -7.8 114 124 A T - 0 0 0 -2,-0.2 19,-0.1 19,-0.2 -30,-0.1 -0.417 52.5 -98.5 -65.0 138.7 125.3 31.1 -5.7 115 125 A G E -j 12 0B 0 -104,-0.6 -102,-2.2 17,-0.4 2,-0.3 -0.109 41.3-164.5 -57.0 155.4 128.3 30.0 -7.9 116 126 A T E -jL 13 131B 8 15,-2.2 15,-2.9 -104,-0.2 2,-0.4 -0.995 8.6-159.2-144.2 147.0 128.4 26.5 -9.1 117 127 A C E -jL 14 130B 6 -104,-2.5 -102,-2.5 -2,-0.3 2,-0.7 -0.990 13.3-142.0-130.6 129.5 131.2 24.4 -10.6 118 128 A A E -jL 15 129B 0 11,-3.0 11,-1.9 -2,-0.4 2,-0.8 -0.805 14.9-160.9 -90.6 122.7 130.8 21.4 -12.7 119 129 A V E -jL 16 128B 0 -104,-2.8 -102,-2.1 -2,-0.7 2,-0.6 -0.895 9.3-165.4-105.6 104.3 133.5 18.9 -11.8 120 130 A L E -jL 17 127B 0 7,-2.8 7,-2.1 -2,-0.8 2,-0.5 -0.828 2.8-159.1 -97.5 119.9 133.7 16.4 -14.6 121 131 A I E +jL 18 126B 6 -104,-2.7 -102,-2.1 -2,-0.6 2,-0.4 -0.839 20.3 161.5-100.0 126.9 135.6 13.3 -13.9 122 132 A N E > - L 0 125B 12 3,-2.6 3,-1.9 -2,-0.5 2,-0.4 -0.984 66.1 -22.6-147.4 128.9 137.0 11.4 -16.9 123 133 A E T 3 S- 0 0 117 -2,-0.4 -2,-0.0 1,-0.3 -104,-0.0 -0.526 125.5 -44.5 66.6-120.3 139.7 8.8 -16.9 124 134 A K T 3 S+ 0 0 90 -2,-0.4 164,-0.6 -3,-0.1 -1,-0.3 0.471 118.0 96.3-112.7 -14.7 141.3 9.9 -13.7 125 135 A E E < - L 0 122B 93 -3,-1.9 -3,-2.6 162,-0.1 2,-0.4 -0.542 61.7-138.1 -83.7 155.5 141.3 13.6 -14.3 126 136 A R E - L 0 121B 48 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.897 11.7-163.8-111.0 138.3 139.0 16.3 -13.2 127 137 A T E - L 0 120B 1 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.5 -0.976 11.0-151.2-120.6 133.9 137.9 19.1 -15.4 128 138 A L E +kL 34 119B 15 -95,-2.9 -93,-2.4 -2,-0.4 2,-0.5 -0.927 17.2 176.1-114.3 130.1 136.4 22.2 -13.9 129 139 A C E -kL 35 118B 0 -11,-1.9 -11,-3.0 -2,-0.5 2,-0.3 -0.958 19.5-168.5-129.9 110.3 133.8 24.5 -15.5 130 140 A T E -kL 36 117B 19 -95,-2.4 -93,-2.9 -2,-0.5 2,-0.6 -0.811 27.1-163.0-114.8 148.7 132.5 27.3 -13.3 131 141 A H E - L 0 116B 57 -15,-2.9 -15,-2.2 -2,-0.3 -95,-0.0 -0.960 14.0-163.2-119.8 105.5 129.8 29.9 -13.2 132 142 A L > + 0 0 21 -2,-0.6 3,-2.1 -17,-0.2 -17,-0.4 0.825 23.6 162.1 -60.4 -40.0 130.6 32.5 -10.6 133 143 A G G > S+ 0 0 17 1,-0.3 3,-1.7 2,-0.2 -19,-0.2 -0.249 73.8 7.0 54.5-130.5 127.2 34.1 -10.2 134 144 A A G > S+ 0 0 0 -21,-3.1 3,-2.4 1,-0.3 4,-0.3 0.747 116.6 78.4 -54.5 -28.0 127.1 36.0 -7.0 135 145 A C G X S+ 0 0 0 -3,-2.1 3,-1.3 -22,-0.3 -1,-0.3 0.819 83.9 65.0 -53.9 -31.0 130.8 35.5 -6.3 136 146 A G G < S+ 0 0 25 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.651 95.0 57.9 -67.8 -13.6 131.6 38.2 -8.8 137 147 A S G < S+ 0 0 35 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.433 74.5 132.6 -95.7 0.5 129.9 40.9 -6.6 138 148 A F < + 0 0 6 -3,-1.3 2,-0.4 -4,-0.3 29,-0.2 -0.288 26.8 172.8 -57.4 130.0 132.1 40.3 -3.6 139 149 A R - 0 0 129 -57,-0.1 -57,-0.1 27,-0.1 -2,-0.0 -0.998 36.3-114.5-135.6 128.6 133.5 43.5 -2.0 140 150 A I - 0 0 22 -2,-0.4 2,-0.1 1,-0.1 -132,-0.0 -0.508 35.2-118.7 -67.9 135.9 135.4 43.4 1.3 141 151 A P > - 0 0 40 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.355 21.6-112.9 -70.9 153.7 133.5 45.2 4.1 142 152 A E T 3 S+ 0 0 194 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.791 114.9 48.8 -57.1 -31.9 135.3 48.2 5.7 143 153 A N T >> S+ 0 0 69 1,-0.2 4,-1.6 2,-0.1 3,-1.0 0.118 70.1 117.2 -98.3 24.2 135.6 46.5 9.0 144 154 A W H <> S+ 0 0 16 -3,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.865 71.0 63.3 -58.4 -31.7 137.0 43.2 7.7 145 155 A T H 34 S+ 0 0 43 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.870 102.2 50.8 -60.9 -33.6 140.2 44.0 9.8 146 156 A T H X4 S+ 0 0 99 -3,-1.0 3,-1.1 2,-0.2 -1,-0.2 0.924 108.4 49.6 -70.7 -42.6 138.1 43.8 12.9 147 157 A F H 3< S+ 0 0 44 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.892 117.8 41.1 -63.4 -36.0 136.6 40.4 12.0 148 158 A A T >< S+ 0 0 2 -4,-2.1 3,-2.5 -5,-0.2 -1,-0.3 0.333 82.9 143.5 -93.1 6.4 140.0 39.0 11.3 149 159 A S T < + 0 0 78 -3,-1.1 -146,-0.4 1,-0.3 3,-0.1 -0.190 67.9 25.1 -50.0 130.2 141.7 40.7 14.3 150 160 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.3 -148,-0.1 2,-0.2 0.100 89.1 125.5 101.4 -22.8 144.4 38.4 15.7 151 161 A A < - 0 0 8 -3,-2.5 -1,-0.3 1,-0.1 -147,-0.2 -0.468 34.1-177.9 -72.9 141.0 145.0 36.4 12.5 152 162 A L + 0 0 79 -148,-1.0 30,-2.6 1,-0.2 2,-0.5 0.506 67.1 65.5-113.6 -9.7 148.6 36.3 11.4 153 163 A I E -bd 5 182A 12 -149,-1.3 -147,-2.5 28,-0.2 2,-0.4 -0.968 62.5-173.5-119.7 120.3 148.2 34.3 8.2 154 164 A F E -bd 6 183A 1 28,-2.4 30,-2.8 -2,-0.5 2,-0.4 -0.927 6.5-171.4-111.8 132.2 146.2 35.8 5.3 155 165 A Y E +bd 7 184A 2 -149,-2.9 -147,-1.4 -2,-0.4 2,-0.3 -0.976 11.3 169.5-131.7 143.9 145.3 33.8 2.3 156 166 A A E - d 0 185A 0 28,-1.7 30,-1.5 -2,-0.4 2,-0.3 -0.987 23.4-137.7-144.6 148.7 143.8 34.6 -1.1 157 167 A T E > - d 0 186A 2 -149,-0.5 3,-1.7 -2,-0.3 4,-0.2 -0.788 23.2-124.4-105.5 152.8 143.4 32.6 -4.3 158 168 A A G > S+ 0 0 0 28,-1.8 3,-2.1 -2,-0.3 4,-0.3 0.767 107.2 76.7 -67.1 -20.0 144.0 34.2 -7.7 159 169 A Y G > S+ 0 0 40 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.772 83.0 66.4 -60.6 -21.7 140.5 33.1 -8.6 160 170 A T G X> S+ 0 0 3 -3,-1.7 4,-1.3 1,-0.2 3,-0.6 0.667 81.7 77.9 -74.3 -13.1 139.3 36.0 -6.5 161 171 A L G <4 S+ 0 0 3 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.745 78.3 71.0 -67.8 -22.8 140.7 38.4 -9.0 162 172 A T G <4 S+ 0 0 46 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.908 100.9 43.8 -61.7 -40.4 137.8 37.9 -11.4 163 173 A A T <4 S- 0 0 19 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.968 140.5 -47.9 -66.8 -49.8 135.4 39.8 -9.1 164 174 A T >X - 0 0 11 -4,-1.3 3,-0.6 1,-0.0 4,-0.5 -0.805 37.0-131.8 177.8 139.5 138.0 42.5 -8.6 165 175 A P H 3> S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.676 95.5 82.3 -75.9 -14.1 141.7 42.6 -7.7 166 176 A K H 3> S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 84.7 58.2 -58.0 -39.9 141.0 45.2 -5.1 167 177 A N H <> S+ 0 0 6 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.960 110.6 38.9 -55.3 -57.0 140.0 42.6 -2.6 168 178 A A H X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.2 5,-0.3 0.881 114.5 56.4 -62.9 -36.0 143.2 40.6 -2.6 169 179 A L H X S+ 0 0 66 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.906 106.8 49.5 -63.5 -37.9 145.2 43.9 -2.8 170 180 A E H X S+ 0 0 118 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.905 110.8 49.4 -68.3 -37.3 143.6 45.2 0.3 171 181 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.942 113.1 45.8 -65.7 -45.9 144.3 42.0 2.2 172 182 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 110.7 54.6 -62.7 -40.6 147.9 42.0 1.2 173 183 A G H X S+ 0 0 37 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.952 110.0 46.0 -58.2 -50.2 148.3 45.6 2.0 174 184 A Y H >< S+ 0 0 78 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.950 111.9 49.8 -59.3 -51.4 147.0 45.1 5.5 175 185 A A H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 6,-0.3 0.886 104.5 60.8 -54.3 -43.4 149.2 42.0 6.2 176 186 A H H 3< S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.890 102.2 50.4 -53.6 -43.8 152.2 43.9 5.0 177 187 A G T << S+ 0 0 60 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.515 96.5 85.1 -76.2 -1.7 151.9 46.6 7.6 178 188 A I S X S- 0 0 47 -3,-1.8 3,-1.6 -4,-0.4 2,-0.2 -0.891 77.6-134.7-107.2 119.8 151.6 44.0 10.4 179 189 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.469 91.9 20.1 -70.0 136.1 154.8 42.6 11.8 180 190 A N T 3 S+ 0 0 138 1,-0.3 2,-0.3 -2,-0.2 -5,-0.0 0.454 102.1 113.5 84.5 3.0 154.8 38.8 12.2 181 191 A A < - 0 0 13 -3,-1.6 2,-0.4 -6,-0.3 -1,-0.3 -0.803 48.9-160.9-105.4 146.4 151.9 38.5 9.6 182 192 A I E -d 153 0A 23 -30,-2.6 -28,-2.4 -2,-0.3 2,-0.5 -0.962 11.9-142.8-130.2 149.7 152.3 36.9 6.2 183 193 A F E -d 154 0A 1 -2,-0.4 25,-2.8 23,-0.2 26,-1.6 -0.921 20.4-168.3-108.8 128.9 150.3 37.1 3.0 184 194 A T E -de 155 209A 0 -30,-2.8 -28,-1.7 -2,-0.5 2,-0.3 -0.942 2.4-170.0-120.8 142.7 149.9 33.9 1.0 185 195 A L E -de 156 210A 0 24,-2.4 26,-3.0 -2,-0.4 2,-0.4 -0.975 14.0-149.0-135.2 146.7 148.6 33.5 -2.5 186 196 A N E -de 157 211A 12 -30,-1.5 -28,-1.8 -2,-0.3 26,-0.2 -0.928 14.7-143.9-112.5 135.2 147.6 30.6 -4.8 187 197 A L - 0 0 0 24,-2.5 2,-2.9 -2,-0.4 6,-0.2 0.718 31.8-170.7 -69.2 -18.9 148.1 30.9 -8.6 188 198 A S - 0 0 9 23,-0.3 -1,-0.2 4,-0.1 3,-0.1 -0.237 52.1 -8.8 63.3 -56.5 144.8 28.9 -8.8 189 199 A A >> - 0 0 1 -2,-2.9 4,-1.5 -3,-0.1 3,-0.9 -0.977 68.2-103.3-166.1 157.7 144.8 28.2 -12.6 190 200 A P H 3> S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.904 116.2 61.6 -54.7 -42.4 146.6 29.1 -15.8 191 201 A F H 3> S+ 0 0 35 -157,-0.4 4,-2.5 1,-0.2 5,-0.2 0.859 102.6 50.3 -54.7 -36.9 143.7 31.4 -16.8 192 202 A C H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.902 109.0 51.7 -69.5 -37.7 144.3 33.6 -13.8 193 203 A V H < S+ 0 0 1 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.914 116.1 40.5 -62.6 -43.4 148.0 33.9 -14.5 194 204 A E H < S+ 0 0 60 -4,-2.3 3,-0.5 1,-0.1 -2,-0.2 0.868 119.7 42.4 -75.6 -37.9 147.4 35.0 -18.1 195 205 A L H < S+ 0 0 101 -4,-2.5 3,-0.2 -5,-0.3 -2,-0.2 0.836 116.8 41.6 -82.4 -32.4 144.4 37.3 -17.5 196 206 A Y X + 0 0 48 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 -0.098 68.2 138.0-109.4 41.1 145.5 39.2 -14.4 197 207 A K H > S+ 0 0 105 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.868 73.6 45.2 -49.1 -48.8 149.1 39.9 -15.2 198 208 A D H > S+ 0 0 120 -3,-0.2 4,-1.7 2,-0.2 3,-0.3 0.981 114.7 44.6 -65.0 -56.3 149.2 43.4 -13.9 199 209 A A H > S+ 0 0 19 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.904 112.2 54.7 -55.0 -42.2 147.3 42.9 -10.7 200 210 A M H X S+ 0 0 2 -4,-2.8 4,-3.4 1,-0.2 -1,-0.3 0.898 102.7 57.0 -59.3 -39.6 149.3 39.9 -10.0 201 211 A Q H X S+ 0 0 123 -4,-1.8 4,-1.2 -3,-0.3 -1,-0.2 0.937 110.3 42.3 -58.2 -47.6 152.6 41.8 -10.4 202 212 A S H X S+ 0 0 69 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.910 116.2 50.7 -66.1 -38.0 151.6 44.3 -7.7 203 213 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.913 102.5 58.4 -64.8 -45.0 150.3 41.5 -5.5 204 214 A L H >< S+ 0 0 2 -4,-3.4 3,-1.9 1,-0.3 -1,-0.2 0.834 96.4 63.4 -55.4 -36.5 153.5 39.3 -5.8 205 215 A L H 3< S+ 0 0 85 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.854 109.0 41.1 -57.7 -35.3 155.6 42.1 -4.3 206 216 A H T << S+ 0 0 65 -3,-1.2 2,-0.4 -4,-0.7 -1,-0.3 0.149 94.3 109.5 -99.3 17.6 153.6 41.8 -1.1 207 217 A T < + 0 0 2 -3,-1.9 -23,-0.2 1,-0.2 3,-0.1 -0.814 39.2 179.9-101.2 136.0 153.4 38.0 -1.1 208 218 A N S S+ 0 0 25 -25,-2.8 41,-2.7 -2,-0.4 2,-0.4 0.831 77.1 26.4 -95.2 -43.5 155.3 36.0 1.4 209 219 A I E -ef 184 249A 2 -26,-1.6 -24,-2.4 39,-0.2 2,-0.5 -0.982 67.2-167.8-128.8 122.4 154.3 32.5 0.3 210 220 A L E -ef 185 250A 7 39,-2.2 41,-3.1 -2,-0.4 2,-0.3 -0.926 6.2-170.7-112.0 128.8 153.2 31.6 -3.2 211 221 A F E +ef 186 251A 3 -26,-3.0 -24,-2.5 -2,-0.5 2,-0.3 -0.880 21.4 126.9-117.9 150.7 151.6 28.3 -4.0 212 222 A G E - f 0 252A 5 39,-1.4 41,-2.7 -2,-0.3 2,-0.2 -0.960 48.4 -98.7 179.0 172.7 150.8 26.8 -7.4 213 223 A N E > - f 0 253A 32 -2,-0.3 4,-2.3 39,-0.2 5,-0.3 -0.563 45.5 -95.5-103.4 172.2 151.2 23.7 -9.5 214 224 A E H > S+ 0 0 71 39,-1.4 4,-2.5 1,-0.2 5,-0.2 0.915 123.5 53.6 -53.6 -46.1 153.8 23.1 -12.3 215 225 A E H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 109.2 47.5 -56.7 -49.3 151.3 24.2 -15.0 216 226 A E H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 112.7 48.2 -59.7 -46.8 150.5 27.5 -13.3 217 227 A F H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.900 106.2 58.8 -61.2 -38.8 154.3 28.4 -12.7 218 228 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.948 110.3 42.1 -54.6 -50.0 155.1 27.5 -16.4 219 229 A H H X S+ 0 0 61 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.888 112.7 54.3 -65.4 -37.6 152.6 30.2 -17.5 220 230 A L H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.896 107.5 50.7 -63.8 -36.1 153.9 32.5 -14.8 221 231 A A H < S+ 0 0 5 -4,-3.2 6,-0.8 2,-0.2 -2,-0.2 0.967 114.8 42.5 -64.2 -50.8 157.4 32.0 -16.2 222 232 A K H < S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.962 112.5 51.5 -58.4 -57.4 156.3 32.8 -19.7 223 233 A V H < S+ 0 0 32 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.848 124.4 30.7 -50.8 -35.8 154.1 35.8 -18.8 224 234 A H S < S- 0 0 39 -4,-1.6 -3,-0.1 -5,-0.3 13,-0.0 0.025 104.6 -91.8-100.6-146.7 157.0 37.1 -16.9 225 235 A N S S+ 0 0 123 1,-0.1 2,-1.8 2,-0.1 -1,-0.2 0.720 97.1 73.2 -93.9-103.1 160.7 36.6 -17.7 226 236 A L + 0 0 54 10,-0.1 -4,-0.1 1,-0.1 -5,-0.1 0.175 61.3 163.2 20.8 -53.0 162.6 33.7 -16.1 227 237 A V 0 0 83 -2,-1.8 -5,-0.1 -6,-0.8 9,-0.1 -0.263 360.0 360.0 52.3-124.0 160.8 31.1 -18.4 228 238 A A 0 0 112 -7,-0.1 -1,-0.1 4,-0.1 -10,-0.0 -0.810 360.0 360.0 97.4 360.0 162.8 27.9 -18.4 229 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 230 241 A K > 0 0 44 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-117.7 160.9 22.5 -12.1 231 242 A V H > + 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.852 360.0 47.4 -51.4 -44.9 163.7 23.9 -9.9 232 243 A A H > S+ 0 0 63 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.946 112.1 48.9 -66.3 -47.1 164.6 26.8 -12.2 233 244 A L H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.934 114.2 48.3 -54.7 -47.4 161.0 27.9 -12.7 234 245 A S H X S+ 0 0 1 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.927 114.4 43.3 -60.2 -50.0 160.7 27.7 -8.9 235 246 A V H < S+ 0 0 48 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.841 112.0 58.5 -66.5 -29.7 163.9 29.7 -8.3 236 247 A A H >X S+ 0 0 19 -4,-3.1 3,-2.6 -5,-0.3 4,-0.7 0.986 101.4 51.4 -60.9 -59.4 162.8 32.0 -11.0 237 248 A N H 3X S+ 0 0 2 -4,-2.8 4,-1.0 1,-0.3 3,-0.3 0.774 94.6 72.2 -50.7 -30.7 159.4 32.9 -9.4 238 249 A K H 3X S+ 0 0 13 -4,-1.2 4,-1.3 1,-0.2 -1,-0.3 0.709 90.1 60.4 -64.5 -14.6 161.1 33.8 -6.2 239 250 A E H <> S+ 0 0 63 -3,-2.6 4,-1.1 -4,-0.4 -1,-0.2 0.936 96.7 59.6 -73.7 -45.1 162.5 37.0 -7.9 240 251 A H H < S+ 0 0 36 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.814 112.6 39.0 -50.5 -33.7 159.0 38.2 -8.6 241 252 A A H < S+ 0 0 12 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.771 117.4 55.1 -86.7 -27.8 158.4 38.2 -4.8 242 253 A V H < 0 0 35 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.999 360.0 360.0 -67.0 -81.1 161.9 39.5 -4.0 243 254 A E < 0 0 128 -4,-1.1 -3,-0.1 0, 0.0 -2,-0.1 0.878 360.0 360.0 -33.6 360.0 162.8 42.7 -5.8 244 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 245 270 A G 0 0 108 0, 0.0 2,-0.5 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 114.0 164.3 38.1 7.7 246 271 A A - 0 0 73 18,-0.2 18,-0.1 2,-0.0 -64,-0.0 -0.984 360.0-103.0-120.1 119.5 161.0 38.5 5.8 247 272 A T + 0 0 52 -2,-0.5 2,-0.4 16,-0.1 18,-0.1 -0.157 46.6 165.2 -50.2 121.7 159.4 35.3 4.6 248 273 A K + 0 0 34 16,-0.3 16,-2.4 2,-0.0 2,-0.3 -0.893 14.9 147.8-140.2 102.1 159.8 34.7 0.9 249 274 A L E -fG 209 263A 8 -41,-2.7 -39,-2.2 -2,-0.4 2,-0.4 -0.998 30.7-157.1-142.6 145.3 159.0 31.2 -0.2 250 275 A V E -fG 210 262A 2 12,-2.7 12,-2.3 -2,-0.3 2,-0.5 -0.981 9.1-165.3-122.1 131.1 157.6 29.5 -3.4 251 276 A V E -fG 211 261A 1 -41,-3.1 -39,-1.4 -2,-0.4 2,-0.6 -0.967 3.9-170.3-121.9 116.6 155.9 26.1 -3.2 252 277 A M E -fG 212 260A 1 8,-3.5 8,-2.2 -2,-0.5 2,-0.3 -0.915 2.9-164.9-110.4 121.6 155.3 24.2 -6.4 253 278 A T E -f 213 0A 28 -41,-2.7 -39,-1.4 -2,-0.6 3,-0.1 -0.699 7.6-178.9 -99.8 157.6 153.2 21.1 -6.4 254 279 A R E > - G 0 257A 48 3,-0.5 3,-2.3 1,-0.5 -41,-0.1 -0.353 41.3-100.2-156.7 70.3 153.1 18.6 -9.2 255 280 A G T 3 S- 0 0 73 1,-0.3 -1,-0.5 0, 0.0 4,-0.0 -0.231 99.3 -12.0 52.1-133.7 150.8 15.6 -9.0 256 281 A H T 3 S+ 0 0 154 -3,-0.1 21,-0.4 2,-0.0 -1,-0.3 0.554 115.6 99.8 -75.4 -8.9 152.7 12.5 -7.9 257 282 A N E < S-G 254 0A 62 -3,-2.3 -3,-0.5 1,-0.2 18,-0.1 -0.436 89.8 -78.1 -77.8 154.4 156.1 14.1 -8.5 258 283 A P E - 0 0 47 0, 0.0 2,-0.3 0, 0.0 18,-0.3 -0.086 47.8-113.8 -50.7 143.8 158.2 15.6 -5.6 259 284 A V E - H 0 275A 2 16,-2.8 16,-2.4 -3,-0.1 2,-0.5 -0.608 28.1-148.5 -81.4 139.8 157.1 18.9 -4.3 260 285 A I E +GH 252 274A 4 -8,-2.2 -8,-3.5 -2,-0.3 2,-0.4 -0.957 16.6 179.5-116.8 125.0 159.6 21.7 -4.8 261 286 A A E -GH 251 273A 1 12,-2.4 12,-3.5 -2,-0.5 2,-0.4 -0.983 5.0-170.9-124.3 131.1 160.0 24.6 -2.4 262 287 A A E -GH 250 272A 2 -12,-2.3 -12,-2.7 -2,-0.4 2,-0.3 -0.989 7.3-176.4-124.8 127.7 162.4 27.5 -2.8 263 288 A E E -GH 249 271A 53 8,-3.1 8,-2.4 -2,-0.4 2,-0.6 -0.909 19.6-145.0-124.3 151.2 163.0 30.0 -0.1 264 289 A Q E - H 0 270A 70 -16,-2.4 -16,-0.3 -2,-0.3 6,-0.2 -0.955 22.6-152.2-115.3 112.3 165.1 33.1 0.1 265 290 A T > - 0 0 40 4,-2.9 3,-1.6 -2,-0.6 -19,-0.0 -0.179 33.5 -92.3 -76.9 174.7 166.6 33.7 3.5 266 291 A A T 3 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.863 124.2 52.4 -53.8 -44.2 167.6 37.1 5.0 267 292 A D T 3 S- 0 0 119 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.466 123.1-102.0 -74.1 -3.9 171.2 37.0 3.8 268 293 A G S < S+ 0 0 40 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.450 73.6 149.1 95.4 0.7 170.1 36.3 0.3 269 294 A T - 0 0 71 -5,-0.1 -4,-2.9 1,-0.1 2,-0.6 -0.477 39.8-141.4 -69.8 139.6 170.9 32.6 0.6 270 295 A V E -H 264 0A 82 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.925 16.8-171.4-108.0 121.9 168.5 30.4 -1.5 271 296 A V E -H 263 0A 55 -8,-2.4 -8,-3.1 -2,-0.6 2,-0.4 -0.935 2.3-168.9-112.5 130.5 167.4 27.1 -0.0 272 297 A V E -H 262 0A 63 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.973 2.8-162.9-122.4 130.7 165.5 24.6 -2.2 273 298 A H E -H 261 0A 67 -12,-3.5 -12,-2.4 -2,-0.4 2,-0.5 -0.939 6.7-166.8-115.6 139.4 163.8 21.5 -0.9 274 299 A E E -H 260 0A 131 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.940 17.0-175.2-121.7 99.8 162.7 18.6 -3.1 275 300 A V E -H 259 0A 10 -16,-2.4 -16,-2.8 -2,-0.5 -2,-0.0 -0.880 19.8-128.7-106.1 125.3 160.3 16.4 -1.0 276 301 A G - 0 0 48 -2,-0.5 -19,-0.1 -18,-0.3 -20,-0.0 -0.253 14.9-132.2 -67.7 154.6 159.0 13.1 -2.3 277 302 A V - 0 0 25 -21,-0.4 3,-0.1 40,-0.0 -1,-0.1 -0.946 29.5-109.1-110.4 124.2 155.3 12.4 -2.3 278 303 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.162 42.9-102.1 -50.4 138.6 154.3 9.0 -0.9 279 304 A V - 0 0 139 1,-0.0 2,-0.5 -3,-0.0 -3,-0.0 -0.433 33.8-168.3 -71.0 138.0 153.1 6.7 -3.6 280 305 A V - 0 0 25 -2,-0.2 5,-0.1 -3,-0.1 -24,-0.0 -0.981 27.1-119.5-127.6 116.0 149.3 6.1 -4.0 281 306 A A > - 0 0 48 -2,-0.5 3,-1.4 1,-0.1 4,-0.4 -0.240 20.3-127.6 -53.7 139.9 148.3 3.2 -6.3 282 307 A A G > S+ 0 0 56 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.886 106.7 61.1 -58.7 -40.9 146.2 4.5 -9.2 283 308 A E G 3 S+ 0 0 174 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.670 100.8 57.0 -62.9 -12.1 143.3 2.1 -8.5 284 309 A K G < S+ 0 0 107 -3,-1.4 2,-0.4 2,-0.0 -1,-0.3 0.566 84.2 99.9 -94.7 -8.4 143.0 3.7 -5.1 285 310 A I < - 0 0 35 -3,-2.0 40,-0.2 -4,-0.4 3,-0.1 -0.683 44.4-179.8 -83.0 130.2 142.4 7.1 -6.5 286 311 A V - 0 0 65 38,-2.3 2,-0.3 -2,-0.4 39,-0.2 0.917 68.6 -35.4 -87.1 -64.2 138.7 8.3 -6.6 287 312 A D - 0 0 4 37,-0.6 39,-0.3 39,-0.6 -1,-0.3 -0.990 44.3-135.3-156.4 150.7 139.2 11.8 -8.1 288 313 A T > + 0 0 51 -164,-0.6 3,-2.1 -2,-0.3 4,-0.3 0.363 56.9 135.1 -96.5 14.6 142.0 14.4 -7.7 289 314 A N T 3 S+ 0 0 8 1,-0.3 -2,-0.1 2,-0.1 -170,-0.0 -0.455 77.8 11.8 -64.2 131.1 139.5 17.3 -7.3 290 315 A G T 3> S+ 0 0 6 -2,-0.2 4,-2.7 39,-0.1 5,-0.3 0.419 85.5 127.9 83.4 1.2 140.7 19.5 -4.4 291 316 A A H <> S+ 0 0 25 -3,-2.1 4,-2.3 1,-0.2 5,-0.2 0.945 78.4 42.7 -55.2 -48.8 144.1 17.8 -4.1 292 317 A G H > S+ 0 0 35 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.877 112.6 52.9 -66.2 -35.4 145.9 21.2 -4.2 293 318 A D H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 110.5 47.8 -66.2 -39.9 143.4 22.9 -1.9 294 319 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.902 110.4 52.4 -66.6 -40.1 143.9 20.1 0.7 295 320 A F H X S+ 0 0 5 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.958 110.7 46.8 -60.7 -49.1 147.7 20.4 0.3 296 321 A V H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.896 111.4 52.6 -61.5 -37.1 147.5 24.2 1.0 297 322 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.926 111.7 44.0 -65.9 -43.0 145.2 23.6 3.9 298 323 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 18,-0.2 0.917 114.1 52.1 -67.4 -40.1 147.6 21.1 5.6 299 324 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.4 45.3 -60.1 -50.1 150.5 23.4 4.8 300 325 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.862 111.2 53.3 -64.1 -37.2 148.9 26.5 6.4 301 326 A Y H X S+ 0 0 58 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.946 112.8 43.5 -64.5 -45.0 147.8 24.5 9.5 302 327 A G H <>S+ 0 0 3 -4,-2.3 5,-2.2 1,-0.2 3,-0.5 0.885 110.8 53.6 -66.7 -36.4 151.3 23.3 10.1 303 328 A L H ><5S+ 0 0 42 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.899 104.7 57.7 -64.4 -37.2 152.8 26.7 9.4 304 329 A S H 3<5S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.1 50.7 -59.5 -31.2 150.3 27.9 12.0 305 330 A Q T 3<5S- 0 0 78 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.315 119.9-110.3 -90.5 5.3 151.9 25.5 14.5 306 331 A G T < 5 + 0 0 64 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.704 62.6 156.0 74.6 21.9 155.4 26.7 13.7 307 332 A K < - 0 0 101 -5,-2.2 -1,-0.2 1,-0.1 2,-0.1 -0.307 46.2 -96.6 -74.4 166.7 156.6 23.6 11.9 308 333 A T > - 0 0 75 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.365 34.8-100.8 -80.8 165.0 159.4 23.8 9.4 309 334 A V H > S+ 0 0 26 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.906 124.5 48.1 -48.8 -50.0 159.0 24.1 5.6 310 335 A K H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.906 112.8 49.3 -60.9 -38.7 159.7 20.3 5.1 311 336 A Q H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 108.6 54.0 -67.1 -37.9 157.2 19.5 7.8 312 337 A C H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.954 108.5 48.3 -57.7 -50.0 154.7 21.8 6.2 313 338 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.897 108.7 53.2 -59.1 -42.2 155.0 20.1 3.0 314 339 A M H X S+ 0 0 104 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.882 110.1 48.4 -63.3 -37.4 154.6 16.6 4.6 315 340 A C H X S+ 0 0 34 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.913 111.4 49.7 -69.4 -41.1 151.4 17.7 6.3 316 341 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 -18,-0.2 5,-0.2 0.956 110.8 50.4 -61.6 -47.1 150.0 19.1 3.0 317 342 A N H X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.908 109.5 50.5 -58.2 -43.0 150.9 15.9 1.2 318 343 A A H X S+ 0 0 64 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.940 111.2 47.5 -62.9 -44.5 149.1 13.8 3.9 319 344 A C H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.915 113.4 49.0 -62.4 -41.4 146.0 15.9 3.6 320 345 A A H X S+ 0 0 13 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.868 106.4 55.9 -66.0 -37.1 146.0 15.8 -0.2 321 346 A Q H < S+ 0 0 36 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.837 108.3 48.6 -65.7 -30.6 146.5 12.0 -0.2 322 347 A D H >< S+ 0 0 35 -4,-1.4 3,-1.7 -5,-0.2 -2,-0.2 0.960 110.4 50.5 -72.6 -48.9 143.4 11.6 1.9 323 348 A V H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 -36,-0.2 0.809 103.3 58.8 -58.1 -34.5 141.3 13.9 -0.3 324 349 A I T 3< S+ 0 0 19 -4,-2.0 -38,-2.3 1,-0.3 -37,-0.6 0.591 98.7 60.8 -74.4 -7.0 142.3 12.1 -3.5 325 350 A Q T < S+ 0 0 61 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.192 104.3 60.8-101.0 15.4 140.8 8.9 -2.1 326 351 A H S < S- 0 0 68 -3,-1.4 -39,-0.6 -39,-0.3 2,-0.5 -0.862 94.2 -88.2-135.3 169.2 137.4 10.5 -1.9 327 352 A V S S- 0 0 67 -2,-0.3 -2,-0.1 -41,-0.1 -3,-0.0 -0.689 88.0 -36.4 -82.1 123.8 134.7 12.0 -4.1 328 353 A G S S- 0 0 0 -2,-0.5 2,-1.2 1,-0.1 -2,-0.2 -0.205 120.9 -15.5 60.1-156.1 135.3 15.7 -4.6 329 354 A F S S+ 0 0 4 -272,-0.3 2,-0.1 -273,-0.0 -1,-0.1 -0.677 81.0 179.3 -85.2 97.3 136.6 17.7 -1.6 330 355 A S - 0 0 20 -2,-1.2 2,-0.4 -7,-0.2 -7,-0.1 -0.437 22.5-138.9 -94.5 169.7 136.1 15.5 1.4 331 356 A L + 0 0 42 -2,-0.1 -264,-0.0 -9,-0.1 2,-0.0 -0.990 53.2 97.5-127.6 125.8 137.0 16.0 5.0 332 357 A S 0 0 68 -2,-0.4 -13,-0.0 -13,-0.1 -1,-0.0 -0.134 360.0 360.0-162.7 -95.1 138.4 13.2 7.2 333 358 A F 0 0 92 -14,-0.1 -1,-0.0 -15,-0.1 -2,-0.0 -0.499 360.0 360.0 98.1 360.0 142.0 12.4 8.1