==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-OCT-07 2VF3 . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.S.ALPHEY,W.N.HUNTER . 539 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 47 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 1 1 0 0 2 2 2 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 4 0 4 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 0 A H 0 0 175 0, 0.0 42,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 47.4 67.1 9.0 -45.2 2 1 A M - 0 0 108 43,-0.1 2,-0.3 42,-0.1 42,-0.3 -0.261 360.0-174.4 -64.7 134.4 64.7 8.8 -42.3 3 2 A I E -A 43 0A 56 40,-3.3 40,-2.9 2,-0.0 2,-0.4 -0.872 16.7-135.1-120.9 159.7 61.1 7.8 -42.9 4 3 A K E -A 42 0A 113 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.970 18.8-177.9-114.6 133.3 58.0 7.6 -40.7 5 4 A V E -A 41 0A 22 36,-3.0 36,-2.4 -2,-0.4 2,-0.2 -0.995 20.9-133.9-125.6 135.9 55.5 4.7 -40.6 6 5 A L E -A 40 0A 78 -2,-0.4 34,-0.2 34,-0.2 32,-0.0 -0.619 12.1-157.8 -82.9 145.4 52.3 4.4 -38.6 7 6 A S E -A 39 0A 0 32,-2.1 32,-2.2 -2,-0.2 93,-0.1 -0.929 16.2-147.2-128.9 103.6 51.6 1.3 -36.6 8 7 A P E -A 38 0A 15 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.243 5.1-130.4 -75.5 157.4 47.9 0.8 -35.8 9 8 A A E -A 35 0A 0 28,-1.8 26,-2.1 26,-0.9 2,-0.3 -0.421 17.6-144.7 -86.7 171.5 46.3 -0.9 -32.8 10 9 A K E -A 34 0A 9 84,-2.1 2,-0.3 24,-0.2 24,-0.2 -0.926 3.7-153.9-123.9 162.1 43.6 -3.6 -32.8 11 10 A I E -A 33 0A 0 22,-2.3 22,-2.1 -2,-0.3 2,-0.7 -0.970 21.6-124.4-122.0 151.6 40.6 -4.4 -30.6 12 11 A N E -A 32 0A 5 -2,-0.3 2,-1.2 81,-0.3 20,-0.2 -0.878 15.2-161.2 -88.7 114.8 39.0 -7.8 -30.1 13 12 A L E S- 0 0 0 18,-3.2 224,-0.1 -2,-0.7 19,-0.1 -0.565 75.5 -20.9 -87.9 61.9 35.3 -7.4 -30.9 14 13 A G E - 0 0 0 -2,-1.2 17,-1.5 222,-0.3 2,-0.3 0.111 66.5-154.1 109.0 140.8 34.6 -10.6 -29.0 15 14 A L E -Ab 30 207A 7 191,-2.3 193,-0.7 15,-0.2 2,-0.3 -0.987 7.4-174.6-150.4 138.9 36.7 -13.6 -27.9 16 15 A W E -A 29 0A 7 13,-2.7 13,-2.3 -2,-0.3 2,-0.5 -0.982 16.6-144.1-132.4 142.4 36.0 -17.2 -27.1 17 16 A V E -A 28 0A 0 166,-0.5 168,-1.8 -2,-0.3 11,-0.2 -0.933 12.9-176.9-108.5 123.0 38.3 -19.9 -25.8 18 17 A L E - 0 0 31 9,-2.8 2,-0.3 -2,-0.5 10,-0.2 0.815 56.9 -68.6 -87.1 -34.2 37.6 -23.4 -27.2 19 18 A G E -A 27 0A 15 8,-1.2 8,-2.4 165,-0.1 -1,-0.3 -0.981 58.2 -52.3 167.2-175.9 40.2 -25.2 -25.1 20 19 A R E -A 26 0A 160 -2,-0.3 6,-0.3 6,-0.3 3,-0.0 -0.675 38.2-150.3 -86.7 137.3 43.9 -25.9 -24.3 21 20 A L > - 0 0 48 4,-3.9 3,-1.6 -2,-0.3 4,-0.2 -0.880 28.2-115.4-102.3 145.0 46.4 -26.9 -26.9 22 21 A P T 3 S+ 0 0 141 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.844 108.8 69.0 -43.9 -43.7 49.3 -29.2 -25.8 23 22 A S T 3 S- 0 0 86 1,-0.1 3,-0.1 -3,-0.0 -3,-0.0 0.191 125.7 -79.9 -67.8 15.1 51.9 -26.4 -26.6 24 23 A G S < S+ 0 0 62 -3,-1.6 -1,-0.1 -2,-0.4 2,-0.1 -0.166 96.1 74.1 156.6 -67.1 50.8 -24.1 -23.7 25 24 A Y - 0 0 111 -4,-0.2 -4,-3.9 -6,-0.1 2,-0.4 0.385 68.4 -88.9 166.7 153.8 48.3 -22.8 -24.9 26 25 A H E -A 20 0A 13 -6,-0.3 2,-0.4 -3,-0.1 -6,-0.3 -0.975 19.0-136.4-137.9 133.5 44.7 -22.2 -26.1 27 26 A E E +A 19 0A 75 -8,-2.4 -9,-2.8 -2,-0.4 -8,-1.2 -0.733 40.5 175.5 -81.8 135.3 42.6 -22.5 -29.2 28 27 A I E -A 17 0A 7 117,-1.9 117,-0.4 -2,-0.4 2,-0.4 -0.823 31.4-143.6-135.4 166.1 40.5 -19.4 -29.6 29 28 A L E +A 16 0A 4 -13,-2.3 -13,-2.7 -2,-0.3 2,-0.3 -0.991 34.2 156.7-129.8 133.7 38.0 -17.6 -31.8 30 29 A T E -AC 15 143A 0 113,-2.0 113,-3.4 -2,-0.4 2,-0.6 -0.996 39.6-130.3-151.9 151.9 38.1 -13.8 -32.1 31 30 A L E - C 0 142A 0 -17,-1.5 -18,-3.2 -2,-0.3 2,-0.4 -0.951 27.6-154.2-106.1 115.1 37.1 -10.9 -34.3 32 31 A Y E -AC 12 141A 9 109,-2.7 109,-1.6 -2,-0.6 2,-0.4 -0.701 10.3-172.7 -83.1 132.4 40.0 -8.5 -34.9 33 32 A Q E -AC 11 140A 18 -22,-2.1 -22,-2.3 -2,-0.4 2,-0.2 -0.985 17.9-138.4-130.3 123.6 39.4 -4.9 -35.7 34 33 A E E -A 10 0A 54 105,-2.8 -24,-0.2 -2,-0.4 101,-0.0 -0.548 23.1-159.2 -69.7 138.6 42.0 -2.4 -36.7 35 34 A I E -A 9 0A 1 -26,-2.1 2,-2.6 -2,-0.2 -26,-0.9 -0.937 28.4-112.2-126.0 146.7 41.6 1.0 -35.1 36 35 A P E S+ 0 0 51 0, 0.0 2,-0.4 0, 0.0 232,-0.1 -0.327 79.9 115.0 -76.4 62.1 43.0 4.4 -36.1 37 36 A F E - 0 0 18 -2,-2.6 -28,-1.8 -28,-0.2 2,-0.4 -0.996 49.2-171.0-137.3 117.9 45.2 4.6 -33.1 38 37 A Y E -A 8 0A 80 -2,-0.4 2,-0.4 -30,-0.2 49,-0.1 -0.928 33.4-147.1-130.3 138.0 48.9 4.6 -33.9 39 38 A D E -A 7 0A 0 -32,-2.2 -32,-2.1 -2,-0.4 2,-0.5 -0.761 36.4-129.8 -78.7 141.4 52.4 4.4 -32.6 40 39 A E E -AD 6 85A 44 45,-1.6 45,-3.1 -2,-0.4 2,-0.5 -0.877 21.5-161.7 -99.7 130.3 54.7 6.5 -34.8 41 40 A I E -AD 5 84A 0 -36,-2.4 -36,-3.0 -2,-0.5 2,-0.6 -0.947 5.4-163.0-118.2 116.7 57.8 4.7 -36.1 42 41 A Y E -AD 4 83A 62 41,-2.9 41,-2.9 -2,-0.5 2,-0.5 -0.876 8.5-167.5-101.4 122.1 60.8 6.6 -37.4 43 42 A I E +AD 3 82A 1 -40,-2.9 -40,-3.3 -2,-0.6 2,-0.3 -0.967 10.9 174.5-116.8 127.2 63.2 4.5 -39.4 44 43 A R E - D 0 81A 124 37,-2.0 37,-3.5 -2,-0.5 2,-0.4 -0.958 38.8-102.8-134.1 146.6 66.6 5.9 -40.3 45 44 A E E S+ D 0 80A 99 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.602 77.2 93.3 -71.3 124.3 69.7 4.4 -42.0 46 45 A G S S- 0 0 26 33,-1.6 2,-0.3 -2,-0.4 3,-0.1 -0.945 79.6 -32.2 175.4-166.2 72.2 3.6 -39.2 47 46 A V S S- 0 0 104 -2,-0.3 32,-0.1 1,-0.1 31,-0.0 -0.610 80.4 -82.5 -82.3 136.5 73.4 0.8 -37.0 48 47 A L S S+ 0 0 23 30,-0.6 2,-0.3 -2,-0.3 33,-0.2 -0.049 70.7 148.9 -41.9 121.3 70.7 -1.7 -35.9 49 48 A R E -e 81 0A 107 31,-1.5 33,-4.0 -3,-0.1 2,-0.5 -0.928 32.4-164.1-160.9 130.3 68.9 -0.1 -32.9 50 49 A V E +e 82 0A 3 -2,-0.3 2,-0.3 31,-0.2 33,-0.2 -0.934 22.7 167.2-123.7 108.4 65.4 -0.3 -31.6 51 50 A E E -e 83 0A 66 31,-3.0 33,-2.8 -2,-0.5 2,-0.3 -0.888 14.5-166.8-117.1 148.9 64.4 2.4 -29.1 52 51 A T E > -e 84 0A 17 4,-0.4 3,-0.6 -2,-0.3 33,-0.2 -0.816 32.7-120.8-121.4 167.4 61.1 3.5 -27.6 53 52 A N T 3 S+ 0 0 90 31,-1.2 32,-0.1 -2,-0.3 30,-0.0 0.279 108.1 58.6 -84.5 7.3 60.1 6.7 -25.6 54 53 A I T 3 S- 0 0 79 2,-0.1 -1,-0.2 0, 0.0 31,-0.0 0.172 112.9-103.1-131.1 15.9 58.9 4.4 -22.7 55 54 A G < + 0 0 66 -3,-0.6 -2,-0.1 1,-0.2 -4,-0.0 0.664 55.0 161.3 78.1 20.8 62.0 2.4 -21.8 56 55 A I - 0 0 54 1,-0.1 -4,-0.4 2,-0.0 -1,-0.2 -0.617 45.2-118.3 -65.6 124.4 61.5 -1.0 -23.3 57 56 A P >> - 0 0 69 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.482 17.0-121.7 -65.6 143.2 65.0 -2.6 -23.3 58 57 A Q G >4 S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 6,-0.3 0.879 110.5 56.0 -51.4 -48.3 66.2 -3.5 -26.9 59 58 A E G 34 S+ 0 0 131 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.800 109.4 46.8 -57.5 -32.3 66.6 -7.2 -26.1 60 59 A E G <4 S+ 0 0 135 -3,-0.9 2,-0.3 4,-0.1 -1,-0.3 0.693 88.1 110.3 -81.4 -19.2 63.0 -7.5 -24.9 61 60 A N XX - 0 0 9 -4,-1.0 4,-2.5 -3,-0.9 3,-0.7 -0.436 60.7-150.3 -71.9 120.0 61.6 -5.6 -28.0 62 61 A L H 3> S+ 0 0 41 -2,-0.3 4,-3.1 1,-0.3 -1,-0.1 0.819 99.8 55.3 -50.1 -39.1 59.7 -7.8 -30.5 63 62 A V H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.849 110.0 45.8 -65.9 -36.6 60.8 -5.5 -33.3 64 63 A Y H <> S+ 0 0 20 -3,-0.7 4,-2.0 -6,-0.3 -2,-0.2 0.942 113.4 47.7 -73.5 -50.0 64.4 -6.1 -32.4 65 64 A K H >X S+ 0 0 95 -4,-2.5 4,-2.5 -7,-0.2 3,-0.8 0.977 112.8 51.6 -44.5 -61.8 64.0 -9.8 -32.0 66 65 A G H 3X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.3 -2,-0.2 0.825 110.6 47.0 -45.1 -44.4 62.2 -9.8 -35.4 67 66 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.767 110.8 51.1 -75.9 -28.4 65.0 -7.9 -37.1 68 67 A R H - 0 0 40 0, 0.0 3,-1.5 0, 0.0 5,-0.3 -0.432 16.6-114.6 -70.9 133.3 50.3 1.3 -24.1 90 89 A P T 3 S+ 0 0 72 0, 0.0 80,-0.0 0, 0.0 -4,-0.0 -0.409 103.8 26.8 -60.1 137.5 51.9 -2.2 -23.5 91 90 A G T 3 S+ 0 0 27 78,-0.1 79,-1.7 -2,-0.1 151,-0.1 0.513 87.1 112.4 82.9 7.4 49.5 -4.4 -21.6 92 91 A A S < S- 0 0 2 -3,-1.5 150,-1.8 149,-0.2 149,-0.4 0.478 86.1-118.5 -89.2 -6.7 46.4 -2.6 -22.9 93 92 A G S S+ 0 0 16 77,-0.2 -81,-0.3 148,-0.2 147,-0.2 0.745 85.4 111.9 76.7 29.8 45.2 -5.6 -25.0 94 93 A L S S- 0 0 2 -5,-0.3 -84,-2.1 143,-0.1 5,-0.1 0.218 83.5-119.1-120.6 6.4 45.5 -3.6 -28.3 95 94 A G > + 0 0 15 -86,-0.2 4,-2.6 1,-0.1 5,-0.2 0.686 56.6 152.5 64.1 26.2 48.4 -5.4 -29.8 96 95 A G H > S+ 0 0 8 -7,-0.3 4,-2.3 1,-0.2 5,-0.1 0.871 72.3 47.2 -53.7 -48.0 50.9 -2.5 -30.0 97 96 A G H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 114.4 46.9 -59.6 -40.6 54.1 -4.6 -29.8 98 97 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.851 111.8 51.3 -72.9 -39.2 52.8 -7.0 -32.5 99 98 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.922 109.1 50.4 -59.1 -48.1 51.8 -4.2 -34.7 100 99 A N H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.952 112.0 48.5 -57.5 -52.3 55.2 -2.6 -34.3 101 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.914 114.1 44.9 -51.0 -55.5 56.9 -6.0 -35.3 102 101 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.920 116.0 43.6 -59.4 -50.4 54.7 -6.6 -38.3 103 102 A V H X S+ 0 0 24 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.843 116.2 46.6 -71.1 -32.1 54.8 -3.1 -39.8 104 103 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.917 114.4 46.9 -75.7 -44.3 58.6 -2.6 -39.3 105 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.909 112.5 50.1 -63.6 -43.3 59.5 -6.0 -40.6 106 105 A K H X S+ 0 0 93 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.922 115.2 44.7 -57.0 -46.8 57.2 -5.5 -43.7 107 106 A K H X S+ 0 0 67 -4,-2.0 4,-3.1 2,-0.2 3,-0.4 0.960 114.4 45.2 -64.2 -54.2 58.9 -2.1 -44.3 108 107 A V H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.851 110.5 57.0 -59.3 -35.1 62.5 -3.2 -43.8 109 108 A N H <>S+ 0 0 9 -4,-2.2 5,-2.4 -5,-0.3 -1,-0.2 0.845 112.5 41.1 -63.5 -38.2 61.7 -6.3 -46.0 110 109 A E H ><5S+ 0 0 96 -4,-1.6 3,-2.2 -3,-0.4 -2,-0.2 0.941 110.0 56.5 -69.2 -52.4 60.6 -3.9 -48.8 111 110 A L H 3<5S+ 0 0 72 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.664 107.6 52.5 -57.0 -18.9 63.5 -1.4 -48.2 112 111 A L T 3<5S- 0 0 47 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.086 129.7 -91.9-108.0 29.3 65.9 -4.3 -48.8 113 112 A G T < 5 - 0 0 70 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.588 66.3 -78.4 75.0 14.2 64.4 -5.5 -52.1 114 113 A S < + 0 0 65 -5,-2.4 -1,-0.2 -6,-0.2 -4,-0.2 0.886 63.3 167.7 62.6 50.6 61.9 -8.0 -50.7 115 114 A P + 0 0 50 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 0.929 65.4 58.9 -52.0 -52.5 64.1 -11.1 -49.9 116 115 A L S S- 0 0 11 -7,-0.1 2,-0.2 1,-0.1 -42,-0.0 -0.492 85.2-129.7 -81.0 152.5 61.3 -12.7 -47.9 117 116 A S >> - 0 0 46 -2,-0.2 4,-3.1 1,-0.1 3,-1.0 -0.597 29.9 -97.7 -98.1 162.6 57.9 -13.5 -49.5 118 117 A E H 3> S+ 0 0 159 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.851 126.2 45.7 -42.2 -46.3 54.4 -12.7 -48.2 119 118 A E H 3> S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.772 115.6 46.1 -73.6 -28.1 54.1 -16.2 -46.7 120 119 A E H <> S+ 0 0 82 -3,-1.0 4,-3.6 2,-0.2 -2,-0.2 0.932 110.8 50.4 -77.3 -52.9 57.6 -16.1 -45.1 121 120 A L H X S+ 0 0 11 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.913 113.3 49.2 -48.5 -45.1 57.2 -12.6 -43.6 122 121 A R H X S+ 0 0 120 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.2 0.888 111.1 47.4 -64.4 -45.2 54.0 -13.9 -42.2 123 122 A E H X S+ 0 0 147 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.889 113.3 51.4 -62.3 -42.2 55.6 -17.1 -40.7 124 123 A L H >X S+ 0 0 7 -4,-3.6 4,-0.9 2,-0.2 3,-0.9 0.992 115.9 36.3 -57.6 -66.0 58.4 -14.9 -39.3 125 124 A V H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.7 0.873 115.9 57.6 -58.6 -34.7 56.3 -12.3 -37.5 126 125 A G H 3< S+ 0 0 26 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.806 97.2 61.5 -64.1 -31.8 53.8 -15.1 -36.6 127 126 A S H << S+ 0 0 87 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.806 112.7 37.1 -62.9 -32.5 56.5 -17.1 -34.8 128 127 A I H << S+ 0 0 51 -4,-0.9 2,-0.4 -3,-0.7 -2,-0.2 0.815 129.4 19.1 -91.8 -36.3 57.0 -14.2 -32.4 129 128 A S < - 0 0 13 -4,-2.3 -1,-0.3 1,-0.1 0, 0.0 -0.992 49.8-156.9-147.7 136.9 53.4 -13.0 -32.0 130 129 A A S S+ 0 0 20 -2,-0.4 4,-0.1 1,-0.3 16,-0.1 0.826 107.4 48.4 -94.5 -29.2 50.0 -14.6 -32.6 131 130 A D S >> S+ 0 0 57 1,-0.1 3,-1.9 2,-0.1 4,-0.5 0.799 94.8 82.4 -5.7 -74.9 48.6 -11.3 -32.8 132 131 A A T >4 S+ 0 0 0 -7,-0.3 3,-0.8 1,-0.3 4,-0.3 0.641 83.3 52.6 -51.0 -34.0 51.4 -10.2 -35.2 133 132 A P T >> S+ 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.763 93.4 71.3 -79.6 -17.5 50.2 -11.4 -38.6 134 133 A F H X> S+ 0 0 0 -3,-1.9 4,-3.3 1,-0.2 3,-1.2 0.873 94.4 59.7 -51.4 -32.0 46.8 -9.7 -38.3 135 134 A F H << S+ 0 0 17 -3,-0.8 -1,-0.2 -4,-0.5 -3,-0.1 0.640 89.8 67.3 -82.3 -10.4 48.8 -6.5 -38.8 136 135 A L H <4 S+ 0 0 37 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.662 120.4 20.4 -75.1 -19.8 50.1 -7.6 -42.2 137 136 A L H << S+ 0 0 72 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.735 89.3 176.2-110.6 -44.1 46.5 -7.3 -43.5 138 137 A G < + 0 0 4 -4,-3.3 -2,-0.1 -5,-0.2 2,-0.1 -0.313 40.4 84.1 71.4-152.3 44.7 -5.0 -41.0 139 138 A K S S- 0 0 151 -4,-0.1 -105,-2.8 13,-0.1 2,-0.4 -0.349 104.0 -27.5 54.5-126.4 41.1 -3.8 -41.5 140 139 A S E S+C 33 0A 13 13,-0.4 13,-2.4 -107,-0.2 2,-0.3 -0.979 70.1 160.8-121.8 132.7 38.8 -6.6 -40.0 141 140 A A E -CF 32 152A 0 -109,-1.6 -109,-2.7 -2,-0.4 2,-0.4 -0.997 36.4-122.3-144.0 144.8 39.6 -10.3 -39.8 142 141 A I E -CF 31 151A 8 9,-2.9 9,-2.0 -2,-0.3 2,-0.5 -0.704 28.2-149.6 -77.0 133.7 38.4 -13.5 -37.9 143 142 A G E +CF 30 150A 0 -113,-3.4 -113,-2.0 -2,-0.4 2,-0.2 -0.923 23.3 165.5-109.2 126.6 41.2 -15.2 -36.0 144 143 A R E > > + F 0 149A 60 5,-2.3 3,-2.1 -2,-0.5 5,-2.0 -0.726 52.5 35.3-126.7 179.1 41.1 -18.9 -35.5 145 144 A G T 3 5S- 0 0 15 -117,-0.4 -117,-1.9 1,-0.3 -2,-0.1 -0.707 142.5 -28.2 75.4-104.5 43.6 -21.4 -34.4 146 145 A K T 3 5S- 0 0 60 -2,-1.0 -1,-0.3 -119,-0.2 -117,-0.1 0.183 110.0 -74.8-122.0 9.4 45.5 -19.3 -31.9 147 146 A G T < 5S+ 0 0 0 -3,-2.1 -2,-0.2 -119,-0.2 -115,-0.1 0.081 118.7 93.1 122.4 -18.4 44.6 -16.1 -33.7 148 147 A E T 5 + 0 0 67 -5,-0.1 2,-0.9 1,-0.1 -3,-0.2 0.648 62.6 84.1 -76.4 -23.0 47.0 -16.5 -36.6 149 148 A V E - 0 0 59 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 -0.827 7.6-159.2 -82.2 112.6 49.4 -10.0 -17.9 172 171 A T H > S+ 0 0 82 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.881 90.5 55.6 -62.8 -37.9 47.8 -12.2 -20.5 173 172 A G H > S+ 0 0 41 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.891 106.7 48.6 -60.2 -45.5 49.6 -15.2 -19.0 174 173 A R H 4 S+ 0 0 130 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.804 111.7 51.6 -63.4 -33.0 48.1 -14.6 -15.6 175 174 A V H >< S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 4,-0.4 0.968 107.9 49.5 -68.7 -52.7 44.7 -14.2 -17.2 176 175 A Y H 3< S+ 0 0 61 -4,-2.8 3,-0.5 1,-0.3 -2,-0.2 0.715 105.1 63.0 -57.4 -20.0 44.9 -17.5 -19.1 177 176 A S T 3< S+ 0 0 93 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.580 95.9 55.5 -81.1 -14.8 45.9 -19.2 -15.8 178 177 A S S < S+ 0 0 34 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.479 84.1 120.0 -94.9 -2.5 42.6 -18.4 -14.1 179 178 A L - 0 0 5 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.0 -0.286 41.1-176.9 -60.6 136.9 40.8 -20.2 -16.9 180 179 A R > - 0 0 144 1,-0.0 3,-1.5 -2,-0.0 4,-0.5 -0.806 45.0 -95.5-128.8 174.8 38.7 -23.2 -16.0 181 180 A E G > S+ 0 0 172 -2,-0.3 3,-1.5 1,-0.3 -2,-0.0 0.867 119.9 67.3 -56.8 -36.7 36.7 -25.8 -18.0 182 181 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.649 93.1 58.2 -58.3 -24.8 33.6 -23.6 -17.3 183 182 A H G < S+ 0 0 41 -3,-1.5 -166,-0.5 2,-0.0 -1,-0.3 0.670 85.9 95.2 -81.3 -19.0 35.0 -20.7 -19.5 184 183 A F < - 0 0 44 -3,-1.5 2,-0.3 -4,-0.5 -166,-0.2 -0.458 52.4-171.1 -80.3 147.4 35.3 -22.8 -22.8 185 184 A V - 0 0 15 -168,-1.8 -2,-0.0 -2,-0.2 -169,-0.0 -0.805 30.3 -94.5-125.3 167.5 32.6 -22.8 -25.4 186 185 A T > - 0 0 57 -2,-0.3 4,-2.0 273,-0.2 5,-0.2 -0.521 32.2-119.9 -76.4 151.0 32.1 -24.9 -28.6 187 186 A P H > S+ 0 0 54 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.841 114.2 58.9 -61.9 -29.9 33.3 -23.4 -31.9 188 187 A E H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.931 104.7 49.5 -64.0 -44.2 29.7 -23.6 -33.2 189 188 A Y H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.966 114.1 45.2 -55.2 -53.9 28.6 -21.3 -30.4 190 189 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.881 109.1 55.6 -58.8 -42.1 31.4 -18.8 -31.1 191 190 A E H X S+ 0 0 65 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.837 106.9 49.8 -62.9 -36.2 30.9 -18.8 -34.9 192 191 A E H X S+ 0 0 29 -4,-1.8 4,-1.9 -3,-0.3 -1,-0.2 0.944 111.7 49.0 -67.6 -44.5 27.2 -17.9 -34.5 193 192 A K H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.931 111.2 49.0 -56.6 -50.1 28.2 -15.0 -32.1 194 193 A I H X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.891 107.5 54.5 -58.8 -43.0 30.9 -13.7 -34.5 195 194 A Q H X S+ 0 0 86 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.921 110.1 48.1 -54.5 -47.9 28.5 -13.8 -37.5 196 195 A R H <>S+ 0 0 31 -4,-1.9 5,-2.2 2,-0.2 -2,-0.2 0.926 111.5 48.4 -63.2 -45.0 26.1 -11.6 -35.5 197 196 A I H ><5S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.2 -41,-0.3 0.961 108.3 55.3 -59.3 -48.1 28.9 -9.1 -34.5 198 197 A I H 3<5S+ 0 0 28 -4,-3.2 -42,-2.4 1,-0.3 -1,-0.2 0.860 103.1 55.7 -50.9 -38.9 30.1 -8.9 -38.1 199 198 A S T 3<5S- 0 0 51 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.369 132.1 -93.8 -79.3 5.0 26.5 -7.9 -39.1 200 199 A G T < 5S+ 0 0 26 -3,-2.8 2,-1.7 1,-0.2 -3,-0.2 0.541 81.3 138.1 99.9 8.8 26.7 -5.0 -36.6 201 200 A E > < + 0 0 67 -5,-2.2 3,-2.0 1,-0.2 -1,-0.2 -0.583 20.1 170.0 -87.6 77.4 25.1 -6.6 -33.5 202 201 A V G > + 0 0 33 -2,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.744 69.1 70.6 -65.2 -24.7 27.7 -5.2 -31.1 203 202 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.703 88.1 66.9 -63.6 -19.7 25.5 -6.3 -28.1 204 203 A E G < S+ 0 0 24 -3,-2.0 -1,-0.3 -11,-0.1 -2,-0.2 0.541 77.3 111.4 -79.0 -9.5 26.6 -9.9 -29.1 205 204 A I < + 0 0 11 -3,-1.8 2,-0.3 -4,-0.2 -191,-0.1 -0.448 37.2 153.1 -65.3 136.2 30.2 -9.1 -28.1 206 205 A E - 0 0 47 -2,-0.1 -191,-2.3 30,-0.1 2,-0.3 -0.956 21.9-168.5-159.3 160.3 31.6 -10.9 -25.1 207 206 A N B >> -b 15 0A 10 -2,-0.3 4,-1.5 -193,-0.2 3,-0.5 -0.831 13.8-161.0-161.8 105.3 35.0 -12.0 -23.9 208 207 A V H 3> S+ 0 0 18 -193,-0.7 4,-1.9 -2,-0.3 5,-0.1 0.692 94.9 63.0 -65.0 -23.9 35.8 -14.4 -21.0 209 208 A L H 3> S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.903 104.5 48.8 -66.2 -39.3 39.3 -13.1 -20.7 210 209 A G H <> S+ 0 0 1 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.898 107.7 53.9 -61.4 -44.0 37.8 -9.7 -19.9 211 210 A D H X S+ 0 0 92 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.903 114.9 41.8 -54.8 -44.9 35.5 -11.4 -17.3 212 211 A I H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 3,-0.5 0.909 110.4 55.0 -69.7 -43.5 38.6 -12.8 -15.7 213 212 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.3 7,-0.3 0.824 104.8 55.6 -62.5 -33.3 40.8 -9.7 -16.1 214 213 A R H < S+ 0 0 41 -4,-2.1 7,-0.4 2,-0.2 -1,-0.3 0.838 109.0 47.1 -67.0 -35.7 38.2 -7.7 -14.1 215 214 A E H < S+ 0 0 171 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.891 118.6 40.0 -71.9 -39.7 38.4 -10.2 -11.2 216 215 A L H < S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.725 121.8 40.1 -81.1 -30.4 42.2 -10.2 -11.2 217 216 A Y >X - 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