==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUN-09 3HPX . COMPND 2 MOLECULE: 2-ISOPROPYLMALATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.KOON,C.J.SQUIRE,E.N.BAKER . 815 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 52 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 3 0 2 0 0 2 4 0 4 0 4 2 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 0 4 0 2 2 0 2 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 . 3 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 . 2 0 0 0 0 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 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 19 A I 0 0 51 0, 0.0 2,-0.5 0, 0.0 732,-0.0 0.000 360.0 360.0 360.0 120.4 -36.1 -42.9 -58.7 2 20 A V - 0 0 63 494,-0.1 20,-0.2 495,-0.0 732,-0.1 -0.891 360.0-118.0-107.3 126.0 -33.8 -43.5 -61.7 3 21 A K - 0 0 89 -2,-0.5 493,-0.2 1,-0.1 494,-0.1 -0.434 42.5-101.1 -58.7 125.7 -31.4 -46.5 -61.6 4 22 A P + 0 0 10 0, 0.0 17,-0.2 0, 0.0 15,-0.1 -0.358 48.0 172.1 -47.9 131.4 -27.9 -45.0 -61.8 5 23 A A + 0 0 82 15,-0.5 16,-0.2 14,-0.1 15,-0.1 0.325 34.1 114.6-128.7 2.9 -26.7 -45.5 -65.4 6 24 A G S S- 0 0 22 14,-2.5 14,-0.2 1,-0.1 16,-0.1 -0.091 76.0 -82.4 -67.1 171.5 -23.4 -43.6 -65.5 7 25 A P - 0 0 93 0, 0.0 13,-1.0 0, 0.0 -1,-0.1 -0.340 46.8-101.0 -74.1 164.1 -20.1 -45.4 -66.0 8 26 A P - 0 0 66 0, 0.0 2,-0.1 0, 0.0 11,-0.1 -0.205 49.8 -87.2 -68.3 172.2 -18.2 -47.2 -63.2 9 27 A R > - 0 0 75 1,-0.1 3,-2.0 4,-0.1 2,-0.3 -0.465 51.3 -89.2 -76.4 154.4 -15.2 -45.4 -61.7 10 28 A V T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.526 118.9 16.6 -62.6 123.3 -11.8 -45.8 -63.3 11 29 A G T 3 S+ 0 0 74 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.550 84.9 153.9 85.2 10.9 -10.3 -48.9 -61.6 12 30 A Q < - 0 0 23 -3,-2.0 -1,-0.3 1,-0.1 4,-0.0 -0.570 52.3-107.7 -68.7 128.6 -13.6 -50.2 -60.1 13 31 A P > - 0 0 47 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.175 20.7-120.5 -57.9 149.3 -13.3 -54.0 -59.7 14 32 A S T 3 S+ 0 0 110 1,-0.3 -2,-0.1 -3,-0.1 621,-0.0 0.704 110.4 62.8 -67.3 -19.7 -15.3 -56.1 -62.2 15 33 A W T 3 S+ 0 0 63 1,-0.1 -1,-0.3 2,-0.0 620,-0.0 0.472 90.8 74.9 -83.3 -5.6 -17.3 -57.8 -59.3 16 34 A N < + 0 0 9 -3,-1.6 -1,-0.1 1,-0.1 -4,-0.0 -0.907 57.5 177.0-106.5 98.1 -18.8 -54.4 -58.4 17 35 A P + 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.243 32.5 135.9 -82.3 10.1 -21.4 -53.6 -61.2 18 36 A Q - 0 0 0 1,-0.1 2,-0.3 444,-0.0 713,-0.1 -0.239 40.3-152.0 -59.3 146.1 -22.5 -50.3 -59.4 19 37 A R - 0 0 98 711,-0.5 2,-0.1 478,-0.2 -14,-0.1 -0.853 24.3 -89.0-121.4 157.1 -22.9 -47.2 -61.8 20 38 A A - 0 0 25 -13,-1.0 -14,-2.5 -2,-0.3 -15,-0.5 -0.410 40.5-140.1 -65.4 132.9 -22.5 -43.5 -61.3 21 39 A S - 0 0 18 -17,-0.2 711,-0.1 -16,-0.2 -18,-0.1 -0.347 16.5-121.8 -81.1 172.2 -25.7 -41.8 -60.1 22 40 A S + 0 0 101 -20,-0.2 -1,-0.1 -2,-0.1 710,-0.1 0.077 65.0 136.1-101.5 17.6 -26.8 -38.4 -61.5 23 41 A M - 0 0 10 708,-0.1 2,-2.2 1,-0.1 3,-0.2 -0.487 68.3-112.4 -63.4 138.8 -26.8 -36.9 -58.0 24 42 A P > + 0 0 36 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.408 52.7 158.4 -77.3 62.2 -25.1 -33.4 -58.0 25 43 A V G > + 0 0 35 -2,-2.2 3,-1.6 1,-0.3 -2,-0.0 0.718 62.9 74.0 -56.9 -25.2 -22.0 -34.4 -55.9 26 44 A N G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.2 770,-0.1 0.674 83.0 67.8 -68.1 -12.7 -20.2 -31.4 -57.4 27 45 A R G < S+ 0 0 2 -3,-1.8 770,-2.4 769,-0.1 2,-0.3 0.489 99.8 61.3 -78.7 -0.6 -22.2 -29.0 -55.1 28 46 A Y < - 0 0 12 -3,-1.6 697,-0.2 768,-0.2 770,-0.0 -0.938 69.2-155.8-135.7 142.5 -20.5 -30.6 -52.1 29 47 A R - 0 0 75 695,-0.3 697,-0.2 -2,-0.3 698,-0.1 -0.871 31.8 -94.4-122.2 148.7 -16.8 -30.7 -51.1 30 48 A P >> - 0 0 45 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.332 45.6-108.2 -54.3 147.3 -14.7 -33.0 -48.9 31 49 A F H 3> S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.829 117.0 61.0 -47.0 -43.3 -14.5 -31.7 -45.3 32 50 A A H 34 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.814 112.2 37.7 -56.1 -33.6 -10.8 -30.7 -45.8 33 51 A E H <4 S+ 0 0 129 -3,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.729 115.1 53.0 -90.5 -30.0 -11.6 -28.3 -48.6 34 52 A E H < S- 0 0 26 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.877 138.3 -7.7 -74.3 -37.7 -14.9 -27.0 -47.1 35 53 A V S < S- 0 0 19 -4,-2.6 -3,-0.2 -5,-0.2 171,-0.1 0.514 111.9 -61.4-120.1 -91.0 -13.1 -26.1 -43.9 36 54 A E - 0 0 44 -5,-0.4 -3,-0.2 169,-0.1 -1,-0.1 -0.980 47.1 -93.3-158.6 160.3 -9.5 -27.2 -43.3 37 55 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.363 63.8 -69.2 -73.4 162.6 -7.4 -30.4 -43.2 38 56 A I - 0 0 73 1,-0.1 -6,-0.0 2,-0.1 206,-0.0 -0.311 36.5-166.0 -53.2 110.3 -6.6 -32.2 -39.8 39 57 A R + 0 0 52 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.719 53.6 112.8 -64.9 -16.0 -4.3 -30.1 -37.5 40 58 A L - 0 0 13 1,-0.0 3,-0.4 2,-0.0 2,-0.4 -0.452 41.5-176.4 -86.7 116.5 -3.6 -33.2 -35.1 41 59 A R S S+ 0 0 55 -2,-0.5 -2,-0.0 1,-0.2 -1,-0.0 -0.778 70.6 4.9-103.4 141.1 -0.2 -34.9 -34.9 42 60 A N S S- 0 0 136 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.879 82.3-157.3 57.1 44.7 0.3 -38.0 -32.7 43 61 A R - 0 0 36 -3,-0.4 -1,-0.1 1,-0.1 204,-0.1 -0.145 16.4-173.6 -47.3 142.4 -3.4 -38.5 -31.7 44 62 A T > + 0 0 47 2,-0.1 3,-2.1 241,-0.1 4,-0.3 0.625 62.4 88.4-115.8 -20.0 -3.9 -40.5 -28.4 45 63 A W G > S+ 0 0 3 1,-0.3 3,-1.5 2,-0.2 241,-0.1 0.803 80.5 63.2 -49.0 -36.9 -7.7 -40.9 -28.3 46 64 A P G 3 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.765 107.3 45.3 -64.0 -17.8 -7.7 -44.1 -30.3 47 65 A D G < S+ 0 0 95 -3,-2.1 2,-0.6 237,-0.1 -2,-0.2 0.340 95.2 91.2-101.3 3.9 -5.7 -45.7 -27.5 48 66 A R < - 0 0 142 -3,-1.5 2,-0.5 -4,-0.3 236,-0.1 -0.859 58.8-157.2-109.5 119.1 -7.8 -44.5 -24.6 49 67 A V - 0 0 116 -2,-0.6 -2,-0.0 1,-0.1 2,-0.0 -0.780 30.5-110.5 -87.4 130.2 -10.7 -46.5 -23.2 50 68 A I + 0 0 31 -2,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.274 42.2 168.3 -56.6 125.6 -13.3 -44.5 -21.2 51 69 A D + 0 0 124 1,-0.2 2,-0.3 388,-0.0 268,-0.2 0.242 57.4 38.7-128.0 12.2 -13.1 -45.4 -17.6 52 70 A R S S- 0 0 90 266,-0.1 -1,-0.2 366,-0.0 266,-0.1 -0.989 83.5 -96.7-157.0 157.8 -15.3 -42.7 -15.9 53 71 A A - 0 0 1 266,-0.4 2,-0.1 -2,-0.3 266,-0.1 -0.481 36.9-130.6 -70.3 139.8 -18.5 -40.8 -16.5 54 72 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 235,-0.2 -0.437 37.1 -89.1 -75.3 167.0 -18.2 -37.3 -18.0 55 73 A L E -a 289 0A 1 233,-1.9 235,-2.3 -2,-0.1 2,-0.3 -0.751 52.2-141.4 -67.4 123.2 -20.0 -34.4 -16.3 56 74 A W E -a 290 0A 2 -2,-0.6 35,-0.6 233,-0.2 34,-0.5 -0.701 19.5-170.2 -89.6 139.9 -23.4 -34.4 -18.0 57 75 A C E -ab 291 91A 0 233,-2.4 235,-1.9 -2,-0.3 2,-0.6 -0.981 12.7-150.9-127.7 119.6 -25.4 -31.3 -19.0 58 76 A A E +ab 292 92A 0 33,-2.0 35,-1.9 -2,-0.4 3,-0.3 -0.825 16.1 179.3 -91.8 122.8 -29.0 -31.9 -20.1 59 77 A V > > + 0 0 0 233,-2.6 5,-2.8 -2,-0.6 3,-0.7 0.026 46.0 115.7-110.3 23.9 -30.3 -29.3 -22.6 60 78 A D T 3 >S+ 0 0 0 232,-0.3 5,-1.8 1,-0.2 -1,-0.2 0.867 71.4 58.0 -62.1 -32.9 -33.8 -30.8 -23.0 61 79 A L T 3 5S+ 0 0 0 32,-0.5 -1,-0.2 -3,-0.3 33,-0.1 0.689 127.6 6.2 -78.4 -21.2 -35.5 -27.7 -21.5 62 80 A R T <>5S+ 0 0 24 -3,-0.7 4,-2.5 31,-0.2 5,-0.2 0.639 136.6 35.8-122.5 -69.6 -34.2 -25.2 -24.0 63 81 A D H >5S+ 0 0 21 -4,-0.4 4,-0.5 2,-0.2 236,-0.4 0.871 127.2 43.5 -58.4 -36.7 -32.2 -26.8 -26.9 64 82 A G H >44 - 0 0 31 -2,-0.2 4,-2.4 264,-0.1 5,-0.2 -0.350 35.4 -95.0 -73.2 163.5 -46.4 -26.2 -21.5 74 92 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.885 128.9 51.4 -46.9 -40.2 -45.3 -24.9 -18.0 75 93 A A H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.902 109.3 47.6 -65.8 -46.2 -46.5 -28.3 -16.6 76 94 A R H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 110.5 53.9 -65.3 -37.5 -44.5 -30.4 -19.2 77 95 A K H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.946 109.3 47.2 -60.5 -47.2 -41.4 -28.3 -18.4 78 96 A R H X S+ 0 0 119 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.840 110.8 52.1 -63.6 -37.3 -41.7 -28.9 -14.6 79 97 A R H X S+ 0 0 44 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.900 111.8 46.5 -62.9 -42.7 -42.1 -32.6 -15.3 80 98 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.933 112.7 48.6 -64.0 -48.3 -38.9 -32.6 -17.4 81 99 A F H X S+ 0 0 10 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.943 112.6 49.0 -56.3 -48.7 -36.9 -30.7 -14.9 82 100 A D H X S+ 0 0 84 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.893 111.8 48.8 -55.5 -45.6 -38.1 -33.1 -12.1 83 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.947 111.7 49.0 -60.6 -49.6 -37.2 -36.1 -14.1 84 102 A L H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.9 0.907 112.6 48.0 -60.0 -46.3 -33.7 -34.7 -14.9 85 103 A V H ><5S+ 0 0 15 -4,-2.8 3,-0.7 -5,-0.2 -1,-0.2 0.928 112.1 48.2 -55.2 -48.6 -33.1 -33.9 -11.2 86 104 A R H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.793 106.0 59.2 -68.7 -28.4 -34.2 -37.4 -10.0 87 105 A M H 3<5S- 0 0 0 -4,-2.0 236,-2.4 -5,-0.2 -1,-0.2 0.770 123.1-103.2 -67.8 -29.2 -32.0 -39.1 -12.6 88 106 A G T <<5 + 0 0 1 -4,-0.9 340,-0.2 -3,-0.7 -3,-0.2 0.479 65.5 152.3 119.1 5.3 -29.0 -37.4 -11.2 89 107 A Y < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.453 20.8-174.0 -70.5 138.3 -28.2 -34.6 -13.6 90 108 A K + 0 0 3 -34,-0.5 31,-3.1 1,-0.2 2,-0.4 0.566 69.1 51.1-112.7 -17.8 -26.4 -31.6 -12.0 91 109 A E E +bc 57 121A 1 -35,-0.6 -33,-2.0 29,-0.2 2,-0.4 -0.998 67.5 177.2-124.7 122.9 -26.2 -29.0 -14.8 92 110 A I E -bc 58 122A 0 29,-1.8 31,-2.3 -2,-0.4 2,-0.3 -0.963 27.6-134.9-136.1 115.4 -29.5 -28.3 -16.5 93 111 A E E + c 0 123A 1 -35,-1.9 -32,-0.5 -2,-0.4 31,-0.2 -0.521 27.5 174.4 -63.8 125.3 -30.2 -25.8 -19.3 94 112 A V E - 0 0 0 29,-3.3 2,-0.3 1,-0.3 30,-0.2 0.546 46.0 -34.6-119.8 -9.8 -33.4 -24.0 -18.4 95 113 A G E - c 0 124A 0 28,-0.9 30,-3.0 11,-0.1 -1,-0.3 -0.953 31.2-115.1 169.1 172.9 -33.9 -21.2 -21.0 96 114 A F >> + 0 0 20 -2,-0.3 3,-2.0 28,-0.2 4,-1.2 -0.727 49.0 171.1-123.8 60.9 -33.0 -18.4 -23.5 97 115 A P T 34 + 0 0 0 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 0.713 65.7 58.2 -65.1 -20.5 -34.8 -16.0 -21.2 98 116 A S T 34 S+ 0 0 14 27,-0.5 3,-0.1 1,-0.2 28,-0.1 0.640 116.9 33.3 -79.5 -17.3 -33.8 -12.8 -23.0 99 117 A A T <4 S+ 0 0 65 -3,-2.0 2,-0.4 1,-0.2 -1,-0.2 0.535 119.1 51.3-113.0 -8.6 -35.4 -14.0 -26.3 100 118 A S X - 0 0 31 -4,-1.2 4,-2.8 1,-0.1 -1,-0.2 -0.963 56.5-161.8-138.7 110.9 -38.4 -15.9 -24.9 101 119 A Q H > S+ 0 0 104 -2,-0.4 4,-3.2 2,-0.2 5,-0.2 0.883 98.3 52.5 -60.2 -37.8 -40.9 -14.7 -22.4 102 120 A T H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.8 47.6 -67.7 -40.0 -42.1 -18.3 -21.6 103 121 A D H > S+ 0 0 8 2,-0.2 4,-2.4 -7,-0.2 -2,-0.2 0.931 112.5 50.2 -55.1 -50.7 -38.4 -19.2 -21.0 104 122 A F H X S+ 0 0 29 -4,-2.8 4,-2.1 -7,-0.3 -2,-0.2 0.948 111.0 48.4 -56.6 -50.5 -38.1 -16.1 -18.8 105 123 A D H X S+ 0 0 82 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.901 110.9 50.8 -55.5 -45.5 -41.3 -17.1 -16.8 106 124 A F H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.914 107.9 51.7 -60.7 -45.5 -40.0 -20.6 -16.3 107 125 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 111.8 48.0 -57.0 -48.9 -36.6 -19.4 -14.9 108 126 A R H X S+ 0 0 46 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.881 110.7 52.2 -55.2 -49.3 -38.5 -17.1 -12.4 109 127 A E H X S+ 0 0 54 -4,-2.4 4,-2.4 2,-0.2 6,-0.3 0.929 110.7 44.4 -55.8 -51.0 -40.8 -19.9 -11.3 110 128 A I H <>S+ 0 0 4 -4,-2.5 5,-2.0 2,-0.2 6,-0.7 0.896 119.4 44.5 -67.1 -35.2 -38.0 -22.4 -10.6 111 129 A I H ><5S+ 0 0 23 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.968 118.4 40.8 -69.2 -55.2 -36.0 -19.7 -8.7 112 130 A E H 3<5S+ 0 0 120 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.796 116.7 48.6 -66.9 -30.4 -39.0 -18.2 -6.8 113 131 A Q T 3<5S- 0 0 148 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.467 109.6-118.2 -90.1 -1.8 -40.6 -21.5 -5.9 114 132 A G T < 5 + 0 0 63 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.831 64.1 144.5 67.7 33.7 -37.4 -23.1 -4.6 115 133 A A < + 0 0 47 -5,-2.0 -4,-0.1 -6,-0.3 -5,-0.1 0.641 40.7 94.6 -72.8 -17.8 -37.4 -25.9 -7.3 116 134 A I S S- 0 0 23 -6,-0.7 6,-0.0 -5,-0.1 -1,-0.0 -0.699 71.7-135.6 -89.3 117.6 -33.6 -26.0 -7.7 117 135 A P > - 0 0 26 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.277 27.3-110.9 -61.7 155.0 -31.7 -28.7 -5.5 118 136 A D T 3 S+ 0 0 141 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.801 117.3 50.0 -62.7 -30.0 -28.5 -27.3 -3.9 119 137 A D T 3 S+ 0 0 51 307,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.250 93.6 94.7 -94.4 14.2 -26.2 -29.4 -6.1 120 138 A V < - 0 0 0 -3,-1.7 2,-0.6 -29,-0.0 -29,-0.2 -0.876 57.2-160.0-104.4 135.6 -27.9 -28.4 -9.4 121 139 A T E -c 91 0A 11 -31,-3.1 -29,-1.8 -2,-0.4 25,-0.2 -0.962 14.6-140.5-115.0 114.1 -26.6 -25.5 -11.5 122 140 A I E -cd 92 146A 0 23,-0.7 25,-2.9 -2,-0.6 2,-0.4 -0.359 14.4-147.5 -64.5 143.4 -29.1 -23.9 -13.9 123 141 A Q E -cd 93 147A 0 -31,-2.3 -29,-3.3 23,-0.2 -28,-0.9 -0.974 11.5-168.5-120.0 132.2 -27.8 -22.9 -17.3 124 142 A V E -cd 95 148A 0 23,-3.1 25,-3.5 -2,-0.4 2,-0.4 -0.957 12.7-139.3-121.4 139.7 -29.1 -20.0 -19.4 125 143 A L E + d 0 149A 9 -30,-3.0 -27,-0.5 -2,-0.4 2,-0.3 -0.759 25.7 168.0 -95.1 138.2 -28.3 -19.2 -23.0 126 144 A T E - d 0 150A 0 23,-2.9 25,-1.2 -2,-0.4 2,-0.1 -0.998 29.2-129.9-145.2 149.5 -27.7 -15.7 -24.4 127 145 A Q E - d 0 151A 50 -2,-0.3 25,-0.1 23,-0.2 6,-0.1 -0.383 40.5-100.7 -83.1 168.8 -26.4 -14.0 -27.5 128 146 A C S S+ 0 0 16 23,-0.6 52,-0.1 -2,-0.1 5,-0.1 0.697 79.7 115.9 -74.0 -18.6 -23.6 -11.4 -27.3 129 147 A R > - 0 0 38 1,-0.1 4,-2.3 2,-0.1 3,-0.5 -0.196 69.7-126.8 -49.3 135.2 -25.7 -8.1 -27.5 130 148 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.844 106.1 50.8 -62.2 -35.6 -25.3 -6.1 -24.2 131 149 A E H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.843 110.4 49.0 -71.9 -32.2 -29.1 -5.7 -23.6 132 150 A L H > S+ 0 0 36 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.921 110.1 52.3 -70.1 -44.6 -29.8 -9.4 -24.1 133 151 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.885 109.7 50.1 -55.6 -42.6 -26.9 -10.2 -21.7 134 152 A E H X S+ 0 0 69 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 109.6 49.3 -61.8 -43.6 -28.5 -7.8 -19.1 135 153 A R H X S+ 0 0 78 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.818 107.7 56.2 -64.6 -30.9 -31.9 -9.4 -19.5 136 154 A T H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.926 108.4 46.1 -67.4 -49.6 -30.3 -12.9 -18.9 137 155 A F H < S+ 0 0 0 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.890 111.2 52.8 -59.6 -43.5 -28.8 -11.8 -15.6 138 156 A Q H >< S+ 0 0 86 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.894 105.0 55.0 -59.0 -43.7 -32.1 -10.3 -14.5 139 157 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.3 50.3 -53.8 -34.6 -34.0 -13.6 -15.3 140 158 A C T >< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.3 -1,-0.3 0.289 79.2 139.8 -94.6 8.8 -31.5 -15.3 -13.0 141 159 A S T < S+ 0 0 57 -3,-1.7 -3,-0.1 1,-0.3 -30,-0.0 -0.264 72.9 18.0 -56.0 125.5 -32.0 -12.8 -10.1 142 160 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.261 88.4 135.2 94.9 -13.7 -32.1 -14.7 -6.8 143 161 A A < - 0 0 1 -3,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.443 53.8-142.8 -66.7 137.0 -30.5 -18.0 -8.2 144 162 A P S S- 0 0 64 0, 0.0 48,-1.9 0, 0.0 2,-0.3 0.793 83.6 -1.0 -72.2 -27.2 -27.9 -19.2 -5.8 145 163 A R E + e 0 192A 58 46,-0.2 -23,-0.7 -25,-0.1 2,-0.3 -0.970 69.7 172.8-157.6 152.0 -25.7 -20.2 -8.8 146 164 A A E -de 122 193A 0 46,-1.7 48,-2.2 -2,-0.3 2,-0.6 -0.986 28.3-131.1-157.6 148.7 -26.1 -20.2 -12.6 147 165 A I E -de 123 194A 0 -25,-2.9 -23,-3.1 -2,-0.3 2,-0.7 -0.956 18.9-155.6-101.5 119.0 -24.1 -20.8 -15.8 148 166 A V E -de 124 195A 0 46,-2.5 48,-2.2 -2,-0.6 2,-0.7 -0.880 10.4-162.3 -91.6 110.8 -24.4 -17.9 -18.2 149 167 A H E +de 125 196A 11 -25,-3.5 -23,-2.9 -2,-0.7 2,-0.3 -0.869 12.0 179.0 -99.9 106.4 -23.7 -19.5 -21.7 150 168 A F E +de 126 197A 0 46,-2.3 48,-1.4 -2,-0.7 2,-0.3 -0.842 7.8 168.7-106.6 147.1 -22.9 -16.8 -24.3 151 169 A Y E -de 127 198A 31 -25,-1.2 -23,-0.6 -2,-0.3 2,-0.3 -0.982 20.8-171.4-152.1 160.5 -22.0 -17.6 -27.8 152 170 A N E - e 0 199A 8 46,-1.5 48,-1.9 -2,-0.3 2,-0.3 -0.967 38.5 -97.6-155.8 147.9 -21.5 -16.4 -31.4 153 171 A S E + e 0 200A 5 -2,-0.3 48,-0.2 46,-0.2 10,-0.0 -0.489 36.6 172.2 -67.1 123.6 -21.0 -18.0 -34.7 154 172 A T + 0 0 0 46,-2.5 52,-0.2 -2,-0.3 47,-0.1 0.387 31.6 126.9-109.1 -3.3 -17.3 -18.4 -35.7 155 173 A S > - 0 0 7 45,-0.6 4,-2.4 50,-0.1 50,-0.3 -0.089 68.9-118.1 -63.5 156.3 -17.5 -20.6 -38.9 156 174 A I H > S+ 0 0 46 48,-2.3 4,-1.7 2,-0.2 5,-0.1 0.934 116.1 47.8 -52.7 -51.8 -15.9 -19.6 -42.3 157 175 A L H > S+ 0 0 26 47,-0.4 4,-2.7 2,-0.2 5,-0.5 0.927 113.3 44.5 -57.6 -50.6 -19.4 -19.6 -43.8 158 176 A Q H >>S+ 0 0 7 1,-0.2 5,-2.8 2,-0.2 4,-1.5 0.884 108.9 56.2 -67.3 -40.4 -21.1 -17.5 -41.2 159 177 A R H <>S+ 0 0 25 -4,-2.4 6,-2.3 3,-0.2 5,-0.8 0.916 117.3 38.3 -49.9 -47.4 -18.3 -14.9 -41.0 160 178 A R H <5S+ 0 0 115 -4,-1.7 -2,-0.2 4,-0.2 -3,-0.1 0.979 129.9 21.3 -71.3 -59.4 -18.8 -14.4 -44.7 161 179 A V H <5S+ 0 0 20 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.734 132.0 33.7 -90.8 -24.6 -22.6 -14.6 -45.4 162 180 A V T <5S+ 0 0 22 -4,-1.5 -3,-0.2 -5,-0.5 -4,-0.1 0.862 134.5 19.0 -97.7 -48.1 -24.1 -13.8 -42.0 163 181 A F T - 0 0 89 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.169 42.0 -90.3 -79.5 178.4 -13.3 -10.7 -40.6 167 185 A R H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.903 122.2 47.9 -64.9 -49.0 -11.6 -12.7 -37.9 168 186 A A H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.5 51.2 -58.0 -44.3 -10.8 -9.9 -35.5 169 187 A E H > S+ 0 0 101 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.926 111.5 45.8 -63.9 -44.6 -14.3 -8.4 -35.7 170 188 A V H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.884 111.5 53.3 -65.4 -39.0 -16.0 -11.7 -34.9 171 189 A Q H X S+ 0 0 51 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 104.0 57.1 -60.7 -42.5 -13.6 -12.3 -32.0 172 190 A A H X S+ 0 0 37 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.845 99.4 58.9 -57.6 -37.1 -14.5 -8.8 -30.6 173 191 A I H X S+ 0 0 52 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.957 111.9 41.1 -53.6 -50.3 -18.2 -9.9 -30.4 174 192 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.911 117.1 45.6 -66.8 -48.9 -17.2 -12.7 -28.1 175 193 A T H X S+ 0 0 18 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.890 113.3 50.8 -64.5 -39.6 -14.7 -10.8 -26.0 176 194 A D H X S+ 0 0 99 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.921 109.9 51.8 -60.3 -45.0 -17.2 -7.8 -25.7 177 195 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.918 109.6 48.6 -51.1 -47.8 -19.8 -10.4 -24.6 178 196 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.885 109.9 52.3 -62.5 -43.7 -17.3 -11.7 -21.9 179 197 A R H X S+ 0 0 151 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.912 109.6 49.3 -57.9 -45.5 -16.6 -8.1 -20.7 180 198 A K H X S+ 0 0 30 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.884 109.1 52.3 -60.0 -38.5 -20.3 -7.5 -20.4 181 199 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 109.5 49.4 -66.2 -38.7 -20.8 -10.8 -18.4 182 200 A V H X S+ 0 0 63 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.940 111.9 48.4 -64.7 -48.3 -18.0 -9.7 -16.0 183 201 A E H X S+ 0 0 89 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.945 114.4 46.1 -53.8 -52.3 -19.7 -6.3 -15.6 184 202 A Q H X S+ 0 0 2 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.844 107.9 55.0 -62.4 -39.0 -23.1 -7.9 -14.9 185 203 A A H < S+ 0 0 21 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.873 108.0 50.5 -60.5 -38.6 -21.8 -10.5 -12.5 186 204 A A H < S+ 0 0 80 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.810 106.8 55.2 -69.0 -32.8 -20.2 -7.7 -10.4 187 205 A K H < S+ 0 0 110 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 111.4 46.5 -69.0 -27.1 -23.6 -6.0 -10.4 188 206 A Y S >< S+ 0 0 57 -4,-1.1 3,-1.3 -3,-0.2 -1,-0.2 -0.485 74.1 173.6-120.0 63.9 -25.3 -9.1 -9.0 189 207 A P T 3 + 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.063 62.4 48.4 -60.4 167.6 -23.2 -10.4 -6.0 190 208 A G T 3 S+ 0 0 79 1,-0.3 2,-0.5 3,-0.0 -2,-0.0 0.217 90.4 91.2 80.1 -25.3 -24.7 -13.3 -4.0 191 209 A T S < S- 0 0 15 -3,-1.3 2,-1.1 -6,-0.2 -1,-0.3 -0.914 81.0-134.3 -87.2 132.9 -25.4 -15.3 -7.2 192 210 A Q E -e 145 0A 59 -48,-1.9 -46,-1.7 -2,-0.5 2,-0.3 -0.786 27.6-155.7 -84.1 101.3 -22.4 -17.4 -7.9 193 211 A W E -e 146 0A 35 -2,-1.1 2,-0.3 -48,-0.2 -46,-0.2 -0.578 14.9-176.5 -86.5 137.6 -22.0 -16.9 -11.6 194 212 A R E -e 147 0A 43 -48,-2.2 -46,-2.5 -2,-0.3 2,-0.3 -0.944 15.9-136.3-124.5 153.1 -20.2 -19.4 -13.8 195 213 A F E -e 148 0A 22 33,-0.4 35,-2.3 -2,-0.3 2,-0.4 -0.854 17.5-176.1-118.3 147.4 -19.5 -18.9 -17.5 196 214 A E E -ef 149 230A 0 -48,-2.2 -46,-2.3 -2,-0.3 2,-0.4 -0.991 8.1-170.0-135.4 135.1 -19.7 -21.0 -20.7 197 215 A Y E -ef 150 231A 0 33,-2.5 35,-2.4 -2,-0.4 -46,-0.2 -0.991 0.1-169.9-123.5 134.5 -18.6 -19.8 -24.1 198 216 A S E -e 151 0A 3 -48,-1.4 -46,-1.5 -2,-0.4 2,-1.4 -0.988 23.2-144.5-123.2 125.8 -19.2 -21.6 -27.5 199 217 A P E > -e 152 0A 0 0, 0.0 3,-0.7 0, 0.0 -46,-0.2 -0.749 41.5-138.0 -76.7 97.0 -17.6 -20.7 -30.8 200 218 A E E 3 S+e 153 0A 18 -48,-1.9 -46,-2.5 -2,-1.4 -45,-0.6 -0.259 83.3 25.0 -67.4 147.7 -20.9 -21.6 -32.4 201 219 A S T > S+ 0 0 13 -48,-0.2 3,-1.5 -47,-0.1 -1,-0.3 0.872 79.0 162.4 60.3 38.4 -20.5 -23.7 -35.7 202 220 A Y G X + 0 0 1 -3,-0.7 3,-1.6 32,-0.5 33,-0.2 0.802 66.5 59.9 -55.0 -39.1 -17.1 -24.8 -34.3 203 221 A T G 3 S+ 0 0 19 31,-1.0 -1,-0.3 1,-0.3 32,-0.1 0.661 106.3 48.5 -70.4 -16.9 -17.0 -27.7 -36.7 204 222 A G G < S+ 0 0 9 -3,-1.5 -48,-2.3 -169,-0.1 2,-0.4 0.221 100.9 88.9 -97.2 13.1 -17.1 -25.2 -39.6 205 223 A T S < S- 0 0 2 -3,-1.6 2,-0.2 -50,-0.3 -50,-0.1 -0.895 86.0-106.2-117.9 137.7 -14.4 -23.0 -38.0 206 224 A E > - 0 0 20 -2,-0.4 4,-2.8 -52,-0.2 3,-0.3 -0.409 29.7-132.2 -57.1 129.4 -10.6 -23.2 -38.4 207 225 A L H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.847 104.1 54.7 -53.6 -45.3 -9.1 -24.7 -35.2 208 226 A E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 112.9 45.4 -61.2 -36.7 -6.4 -22.0 -34.8 209 227 A Y H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.924 110.3 52.6 -71.6 -44.9 -9.1 -19.4 -34.9 210 228 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.932 111.8 47.1 -53.3 -49.8 -11.4 -21.4 -32.5 211 229 A K H X S+ 0 0 40 -4,-3.0 4,-3.2 1,-0.2 46,-0.2 0.902 111.2 53.5 -59.6 -40.6 -8.5 -21.6 -30.0 212 230 A Q H X S+ 0 0 83 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.910 110.4 43.6 -59.1 -47.9 -7.8 -17.8 -30.5 213 231 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.932 116.9 47.5 -66.3 -45.2 -11.4 -16.7 -29.7 214 232 A C H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.965 111.6 49.5 -62.5 -53.0 -11.6 -19.1 -26.7 215 233 A D H X S+ 0 0 38 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.914 112.4 49.0 -50.0 -44.3 -8.2 -18.0 -25.4 216 234 A A H X S+ 0 0 22 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.877 111.5 48.3 -64.8 -38.7 -9.3 -14.3 -25.7 217 235 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.929 110.7 52.6 -67.7 -43.8 -12.7 -14.9 -24.0 218 236 A G H X S+ 0 0 11 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.905 102.6 57.8 -58.2 -46.7 -10.8 -16.7 -21.2 219 237 A E H < S+ 0 0 79 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.928 110.2 44.4 -48.1 -50.3 -8.4 -13.8 -20.7 220 238 A V H < S+ 0 0 28 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.932 117.8 42.9 -59.5 -49.7 -11.4 -11.5 -20.0 221 239 A I H < S- 0 0 26 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.810 90.8-154.7 -70.5 -32.0 -13.2 -14.0 -17.6 222 240 A A < - 0 0 70 -4,-3.2 -3,-0.1 -5,-0.2 -4,-0.1 0.932 17.8-168.2 54.0 55.7 -9.9 -15.0 -15.8 223 241 A P - 0 0 12 0, 0.0 38,-0.1 0, 0.0 -1,-0.1 -0.236 5.3-159.7 -68.9 166.9 -11.0 -18.5 -14.7 224 242 A T - 0 0 53 3,-1.5 3,-0.1 37,-0.1 5,-0.0 -0.855 37.7 -95.8-137.2 166.5 -9.0 -20.5 -12.2 225 243 A P S S+ 0 0 67 0, 0.0 -1,-0.0 0, 0.0 36,-0.0 0.866 129.8 43.0 -56.7 -31.9 -8.9 -24.3 -11.4 226 244 A E S S+ 0 0 158 1,-0.2 35,-0.1 197,-0.0 0, 0.0 0.777 125.4 33.2 -83.8 -26.5 -11.4 -23.6 -8.6 227 245 A R S S- 0 0 88 -3,-0.1 -3,-1.5 -5,-0.1 -1,-0.2 -0.653 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