==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-12 4EUA . COMPND 2 MOLECULE: SUCCINYL-COA:ACETATE COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.A.MULLINS,T.J.KAPPOCK . 1017 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 63 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 4 2 8 2 6 0 1 3 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 6 12 6 0 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 PARALLEL BRIDGES PER LADDER . 10 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 4 0 0 0 2 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 2 A T 0 0 169 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.4 11.0 20.4 11.8 2 3 A E - 0 0 86 1,-0.1 3,-0.1 2,-0.1 135,-0.0 -0.259 360.0-160.7 -53.1 125.3 13.3 17.5 10.8 3 4 A R S S+ 0 0 35 1,-0.2 135,-2.9 134,-0.1 2,-1.0 0.753 80.1 67.0 -82.5 -26.6 11.7 15.4 8.1 4 5 A I B +a 138 0A 0 133,-0.2 -1,-0.2 1,-0.2 135,-0.2 -0.812 58.8 169.5 -98.2 99.0 13.9 12.4 8.7 5 6 A R + 0 0 69 133,-3.0 2,-0.8 -2,-1.0 134,-0.2 0.639 55.8 86.2 -91.3 -17.4 12.8 11.2 12.1 6 7 A N > - 0 0 36 132,-0.4 4,-0.7 133,-0.3 3,-0.3 -0.790 69.4-158.4 -77.0 113.0 14.7 7.9 12.0 7 8 A V T >4 S+ 0 0 96 -2,-0.8 3,-1.4 1,-0.2 4,-0.4 0.931 84.8 55.7 -62.5 -48.7 18.1 9.0 13.3 8 9 A A G >4 S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.826 100.9 58.7 -52.9 -38.3 20.1 6.1 11.8 9 10 A L G >4 S+ 0 0 5 -3,-0.3 3,-2.2 1,-0.3 -1,-0.3 0.739 86.2 77.1 -70.1 -19.9 18.8 6.8 8.3 10 11 A R G X< S+ 0 0 102 -3,-1.4 3,-1.2 -4,-0.7 -1,-0.3 0.746 82.3 69.4 -59.1 -23.6 20.3 10.4 8.4 11 12 A S G < S+ 0 0 109 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.639 92.0 59.4 -69.0 -14.6 23.7 8.7 7.8 12 13 A K G < S+ 0 0 62 -3,-2.2 207,-2.5 -4,-0.1 -1,-0.2 0.470 75.7 119.6 -96.4 -1.2 22.5 7.9 4.2 13 14 A V B < +d 219 0B 49 -3,-1.2 207,-0.2 -4,-0.2 -3,-0.0 -0.425 35.1 150.0 -63.7 131.2 21.9 11.5 3.2 14 15 A C - 0 0 34 205,-2.8 207,-0.5 -2,-0.2 2,-0.1 -0.909 47.5 -72.2-150.7 176.4 24.1 12.5 0.3 15 16 A P > - 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.426 41.6-113.9 -75.9 153.9 24.0 14.9 -2.7 16 17 A A H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.872 115.4 53.7 -49.2 -43.9 21.8 14.3 -5.8 17 18 A E H > S+ 0 0 113 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.958 109.7 46.6 -59.6 -51.5 24.8 13.7 -8.0 18 19 A T H >4 S+ 0 0 66 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.880 110.8 52.3 -59.4 -42.9 26.3 11.1 -5.8 19 20 A A H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 4,-0.3 0.905 103.0 59.4 -58.5 -40.7 23.0 9.3 -5.5 20 21 A S H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.768 91.3 69.9 -62.8 -24.6 22.7 9.2 -9.3 21 22 A E T << S+ 0 0 91 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.681 85.2 68.1 -67.6 -18.3 25.9 7.3 -9.5 22 23 A L T < S+ 0 0 45 -3,-1.8 2,-0.7 -4,-0.4 -1,-0.3 0.678 84.2 85.4 -72.6 -18.5 24.2 4.2 -8.0 23 24 A I < - 0 0 2 -3,-1.5 2,-0.2 -4,-0.3 3,-0.1 -0.783 69.7-163.4 -88.9 117.0 22.1 4.0 -11.2 24 25 A K > - 0 0 126 -2,-0.7 3,-2.2 1,-0.1 37,-0.1 -0.648 31.0 -85.8 -99.7 154.6 24.1 2.0 -13.9 25 26 A H T 3 S+ 0 0 89 1,-0.3 38,-0.2 -2,-0.2 -1,-0.1 -0.305 117.9 24.5 -51.6 136.5 23.6 1.8 -17.6 26 27 A G T 3 S+ 0 0 30 36,-3.9 -1,-0.3 1,-0.3 37,-0.2 0.330 90.5 145.9 86.9 -6.8 21.0 -0.9 -18.3 27 28 A D < - 0 0 19 -3,-2.2 37,-2.8 35,-0.3 2,-0.6 -0.318 48.9-133.3 -66.7 142.0 19.3 -0.6 -14.9 28 29 A V E -e 64 0B 10 99,-0.4 102,-2.0 35,-0.2 101,-1.7 -0.883 29.1-165.5 -89.7 124.5 15.6 -1.0 -14.5 29 30 A V E -ef 65 130B 2 35,-3.3 37,-2.9 -2,-0.6 2,-0.5 -0.964 12.2-162.7-122.2 120.4 14.4 1.9 -12.3 30 31 A G E -ef 66 131B 0 100,-2.9 102,-3.1 -2,-0.5 2,-0.3 -0.892 20.1-179.7 -99.9 128.1 11.0 2.1 -10.6 31 32 A T E - f 0 132B 1 35,-2.1 121,-0.3 -2,-0.5 102,-0.2 -0.882 30.7-112.3-125.8 155.8 10.0 5.6 -9.5 32 33 A S + 0 0 2 100,-1.5 6,-0.1 -2,-0.3 119,-0.1 -0.334 60.1 116.6 -66.5 166.7 7.1 7.4 -7.7 33 34 A G + 0 0 0 6,-0.2 36,-2.8 4,-0.2 35,-1.1 0.046 26.6 174.7 129.1 121.8 5.1 9.7 -9.9 34 35 A F B > S-K 37 0C 0 3,-1.7 3,-1.5 34,-0.2 282,-0.2 -0.958 72.8 -13.1-153.9 128.5 1.6 9.9 -11.1 35 36 A T T 3 S- 0 0 25 -2,-0.3 36,-0.2 1,-0.3 3,-0.1 0.877 129.0 -50.8 39.2 52.6 -0.1 12.7 -13.2 36 37 A G T 3 S+ 0 0 5 34,-0.9 191,-1.5 1,-0.2 2,-0.4 0.722 116.2 114.5 68.2 22.8 2.7 15.0 -12.6 37 38 A A B < S-K 34 0C 4 -3,-1.5 -3,-1.7 33,-0.5 -4,-0.2 -0.979 72.3 -0.5-134.4 126.0 2.7 14.5 -8.8 38 39 A G S S+ 0 0 0 -2,-0.4 96,-0.7 1,-0.3 109,-0.2 0.627 80.8 144.5 84.2 14.5 5.2 13.0 -6.5 39 40 A Y - 0 0 0 94,-0.1 -1,-0.3 1,-0.1 -6,-0.2 -0.580 58.9 -95.9 -81.5 148.6 7.9 12.0 -9.0 40 41 A P + 0 0 0 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 -0.381 44.7 176.6 -62.1 141.7 11.6 12.2 -8.1 41 42 A K > + 0 0 0 3,-0.1 4,-1.2 -2,-0.1 184,-0.0 0.805 61.7 40.1-119.6 -53.5 13.2 15.5 -9.2 42 43 A E H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.909 112.1 51.5 -75.4 -41.9 16.8 16.2 -8.3 43 44 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 108.3 51.7 -65.1 -43.8 18.3 12.8 -8.9 44 45 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.899 108.8 51.9 -58.3 -41.3 16.9 12.4 -12.4 45 46 A K H X S+ 0 0 81 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.933 112.2 45.3 -60.0 -45.8 18.3 15.8 -13.4 46 47 A A H X S+ 0 0 14 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.861 111.9 52.4 -66.1 -36.8 21.8 14.8 -12.1 47 48 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.902 107.3 53.1 -64.3 -39.1 21.4 11.4 -13.9 48 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 107.4 50.5 -64.3 -44.7 20.6 13.2 -17.1 49 50 A Q H X S+ 0 0 124 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.903 112.4 46.5 -58.0 -45.8 23.7 15.4 -17.0 50 51 A R H X S+ 0 0 74 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.816 110.9 54.2 -69.8 -29.8 25.9 12.4 -16.4 51 52 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 108.2 47.7 -66.3 -46.7 24.1 10.5 -19.2 52 53 A E H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.947 111.7 50.9 -60.3 -48.7 24.8 13.3 -21.7 53 54 A A H X S+ 0 0 51 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.904 111.1 48.6 -54.5 -45.5 28.4 13.5 -20.7 54 55 A A H ><>S+ 0 0 11 -4,-2.0 5,-2.5 1,-0.2 3,-1.0 0.929 110.5 50.6 -59.8 -48.1 28.8 9.7 -21.2 55 56 A H H ><5S+ 0 0 56 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.897 103.3 58.8 -58.1 -45.0 27.1 9.8 -24.6 56 57 A D H 3<5S+ 0 0 134 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.769 109.1 46.6 -56.5 -24.2 29.4 12.6 -25.8 57 58 A R T <<5S- 0 0 213 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.243 124.2-100.8-104.0 9.8 32.3 10.2 -25.0 58 59 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.697 77.4 135.5 82.3 21.1 30.8 7.2 -26.8 59 60 A E < - 0 0 120 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.884 54.0-127.0-102.1 129.6 29.6 5.4 -23.6 60 61 A K + 0 0 175 -2,-0.5 -35,-0.2 -35,-0.0 2,-0.1 -0.504 34.5 167.2 -65.0 139.0 26.2 3.9 -23.5 61 62 A Y + 0 0 15 22,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.607 15.7 136.1-157.2 92.9 24.1 5.0 -20.6 62 63 A Q - 0 0 50 -2,-0.1 -36,-3.9 23,-0.1 -35,-0.3 -0.974 29.2-156.7-136.7 153.0 20.4 4.2 -20.7 63 64 A I E - g 0 85B 2 21,-2.7 23,-1.7 -2,-0.3 24,-1.1 -0.870 23.7-120.2-121.8 160.2 17.8 2.9 -18.2 64 65 A S E -eg 28 87B 3 -37,-2.8 -35,-3.3 -2,-0.3 2,-0.5 -0.909 35.7-155.2 -89.6 127.2 14.5 1.2 -18.3 65 66 A L E +eg 29 88B 0 22,-3.0 24,-1.7 -2,-0.5 2,-0.5 -0.935 16.5 177.9-115.9 114.5 12.1 3.6 -16.5 66 67 A I E +eg 30 89B 0 -37,-2.9 -35,-2.1 -2,-0.5 2,-0.1 -0.975 13.9 167.9-119.7 125.7 8.9 2.2 -14.9 67 68 A T - 0 0 0 22,-1.8 -35,-0.1 -2,-0.5 -34,-0.1 -0.434 49.8-104.0-122.5-172.8 6.6 4.7 -13.0 68 69 A G S S- 0 0 0 -35,-1.1 -34,-0.2 1,-0.3 2,-0.2 0.919 89.8 -61.9 -75.9 -65.6 3.2 5.0 -11.5 69 70 A A S S- 0 0 1 -36,-2.8 22,-0.3 1,-0.4 -1,-0.3 -0.487 98.8 -0.8-146.7-130.8 2.0 7.0 -14.4 70 71 A S - 0 0 4 -2,-0.2 -34,-0.9 22,-0.1 -33,-0.5 -0.255 59.4-174.1 -66.9 151.8 3.1 10.3 -16.0 71 72 A T - 0 0 2 -36,-0.2 -1,-0.1 -35,-0.2 156,-0.1 0.235 21.3 -97.2-113.6-122.4 5.9 12.3 -14.3 72 73 A G >>> - 0 0 4 -32,-0.2 5,-1.6 -37,-0.1 3,-1.2 -0.914 40.5 -76.7-155.8 179.4 7.2 15.8 -15.1 73 74 A P T 34>S+ 0 0 54 0, 0.0 5,-2.4 0, 0.0 6,-0.2 0.851 121.8 60.2 -56.1 -37.0 10.0 17.8 -16.9 74 75 A Q T 345S+ 0 0 20 3,-0.2 5,-0.1 4,-0.1 -33,-0.0 0.795 122.1 20.6 -62.0 -27.5 12.6 16.9 -14.2 75 76 A L T <>5S+ 0 0 2 -3,-1.2 4,-2.6 3,-0.1 5,-0.3 0.801 137.0 22.1-106.1 -81.6 12.2 13.2 -14.9 76 77 A D H X5S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 5,-0.2 0.918 128.8 50.2 -53.7 -45.7 10.7 12.2 -18.3 77 78 A G H >S+ 0 0 2 -4,-2.6 5,-2.9 2,-0.2 6,-0.3 0.874 113.0 48.3 -65.2 -37.5 16.0 11.9 -19.2 80 81 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.906 107.8 54.7 -69.0 -41.7 14.4 12.1 -22.7 81 82 A K H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 111.0 46.9 -55.2 -36.9 16.4 15.2 -23.6 82 83 A A T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.418 110.0-125.6 -86.2 0.5 19.5 13.1 -22.7 83 84 A N T < 5 + 0 0 57 -3,-1.6 -3,-0.2 1,-0.1 -22,-0.2 0.915 65.6 140.5 55.0 44.6 18.3 10.1 -24.7 84 85 A G < + 0 0 0 -5,-2.9 -21,-2.7 -6,-0.1 2,-0.5 0.277 37.4 81.4-105.9 10.3 18.7 8.1 -21.5 85 86 A V E +g 63 0B 0 -6,-0.3 -21,-0.2 -23,-0.3 3,-0.1 -0.935 39.8 174.3-123.8 112.1 15.7 5.8 -21.6 86 87 A Y E S+ 0 0 83 -23,-1.7 21,-2.2 -2,-0.5 2,-0.3 0.735 78.2 20.6 -84.9 -22.5 15.7 2.6 -23.7 87 88 A F E -gh 64 107B 13 -24,-1.1 -22,-3.0 19,-0.2 2,-0.4 -0.992 66.0-173.4-147.8 141.0 12.3 1.5 -22.3 88 89 A R E -gh 65 108B 0 19,-2.9 21,-1.8 -2,-0.3 -22,-0.2 -0.989 12.5-147.4-138.1 141.8 9.4 3.3 -20.7 89 90 A S E -g 66 0B 0 -24,-1.7 -22,-1.8 -2,-0.4 21,-0.2 -0.940 46.8 -14.8-165.6 148.5 6.1 2.1 -19.1 90 91 A P S S- 0 0 0 0, 0.0 296,-0.4 0, 0.0 2,-0.3 -0.990 105.3 -0.9-112.1 -0.4 3.3 2.5 -18.4 91 92 A F + 0 0 33 -22,-0.3 2,-0.3 293,-0.1 293,-0.2 -0.952 50.6 175.6-158.2 129.2 2.2 6.2 -19.0 92 93 A N + 0 0 1 291,-1.1 -22,-0.1 -2,-0.3 -4,-0.0 -0.980 17.4 173.9-134.6 145.1 3.9 9.4 -20.1 93 94 A T + 0 0 60 -2,-0.3 2,-0.3 -24,-0.1 -1,-0.1 0.342 47.4 116.9-125.8 2.2 2.7 13.0 -20.8 94 95 A D > - 0 0 25 1,-0.1 4,-2.3 -22,-0.1 5,-0.1 -0.535 59.1-143.3 -75.4 133.8 6.1 14.7 -21.4 95 96 A A H > S+ 0 0 54 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.899 98.7 48.8 -66.7 -42.5 6.5 16.0 -25.0 96 97 A T H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 114.0 46.9 -62.8 -45.3 10.2 15.2 -25.3 97 98 A M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.875 108.8 56.1 -63.3 -36.9 9.6 11.7 -24.1 98 99 A R H X S+ 0 0 41 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.934 107.6 48.8 -60.5 -43.7 6.6 11.4 -26.4 99 100 A N H X S+ 0 0 101 -4,-2.4 4,-1.6 2,-0.2 6,-0.3 0.898 108.7 52.1 -63.5 -39.7 8.9 12.3 -29.3 100 101 A R H <>S+ 0 0 51 -4,-2.1 5,-2.6 1,-0.2 6,-1.6 0.925 114.0 45.1 -61.5 -42.5 11.5 9.7 -28.3 101 102 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.1 4,-0.2 -2,-0.2 0.927 113.7 47.5 -63.0 -49.0 8.7 7.2 -28.2 102 103 A N H 3<5S+ 0 0 17 -4,-3.0 891,-1.9 1,-0.3 -1,-0.2 0.653 111.8 52.0 -73.7 -14.0 7.2 8.2 -31.6 103 104 A A T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.485 115.1-115.5 -94.1 -7.3 10.6 8.2 -33.2 104 105 A G T < 5S+ 0 0 37 -3,-1.1 -3,-0.2 -4,-0.4 3,-0.1 0.648 86.0 117.7 83.3 14.4 11.4 4.7 -32.0 105 106 A E S > - 0 0 0 1,-0.1 3,-2.2 828,-0.1 4,-0.7 -0.437 43.4-128.2 -55.7 127.5 -3.3 -0.9 -17.7 113 114 A L G >4 S+ 0 0 3 273,-1.8 3,-1.0 1,-0.3 4,-0.5 0.859 107.0 54.7 -51.6 -40.4 -2.3 1.2 -14.7 114 115 A G G 34 S+ 0 0 5 1,-0.2 4,-0.3 272,-0.2 -1,-0.3 0.659 109.1 49.6 -69.1 -14.1 -4.0 -1.2 -12.2 115 116 A Q G <> S+ 0 0 17 -3,-2.2 4,-2.3 2,-0.1 -1,-0.2 0.523 84.0 89.0 -99.9 -8.9 -2.0 -4.1 -13.6 116 117 A V H S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.930 112.5 48.6 -49.0 -52.5 2.4 -3.7 -10.0 118 119 A G H > S+ 0 0 2 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.895 112.7 46.9 -60.5 -42.6 1.3 -7.3 -10.7 119 120 A R H X>S+ 0 0 21 -4,-2.3 5,-2.5 2,-0.2 4,-1.0 0.837 110.8 52.8 -67.6 -34.6 3.3 -7.5 -14.0 120 121 A A H ><5S+ 0 0 3 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.941 111.4 45.5 -64.5 -48.6 6.4 -6.0 -12.3 121 122 A V H 3<5S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.845 109.1 56.1 -61.5 -37.4 6.2 -8.6 -9.5 122 123 A Q H 3<5S- 0 0 31 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.749 120.4-114.9 -64.7 -26.7 5.7 -11.3 -12.2 123 124 A G T X<5S+ 0 0 36 -4,-1.0 3,-1.6 -3,-0.5 -3,-0.2 0.559 71.4 138.0 104.3 12.5 8.9 -10.1 -13.7 124 125 A N T 3 - 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0 0 6 -5,-0.3 3,-0.3 -24,-0.1 2,-0.2 -0.837 52.6-164.4-103.1 127.6 1.8 -31.3 -13.7 800 287 B E + 0 0 113 -26,-0.6 21,-0.1 -2,-0.5 22,-0.1 -0.674 60.0 21.0-109.3 157.0 -0.1 -32.7 -10.8 801 288 B N S S- 0 0 82 19,-0.4 21,-0.2 -2,-0.2 -1,-0.2 0.845 78.5-175.3 60.4 36.2 -3.1 -31.6 -8.7 802 289 B L E - s 0 822O 0 19,-2.6 21,-2.8 -3,-0.3 22,-0.7 -0.180 11.2-149.7 -62.7 156.1 -4.4 -29.3 -11.5 803 290 B V E - s 0 824O 34 -28,-0.3 -24,-2.6 -26,-0.3 2,-0.5 -0.991 1.6-146.1-131.7 136.2 -7.5 -27.1 -10.9 804 291 B G E +qs 779 825O 0 20,-2.5 22,-3.2 -2,-0.4 2,-0.3 -0.910 21.5 167.6-102.5 125.4 -10.1 -25.9 -13.4 805 292 B Y E + s 0 826O 0 -26,-2.1 22,-0.2 -2,-0.5 2,-0.2 -0.783 39.1 119.3-131.7 95.4 -11.7 -22.5 -13.1 806 293 B S S S- 0 0 0 20,-2.6 -26,-0.1 -2,-0.3 3,-0.1 -0.499 72.4-101.1-140.0-169.5 -13.4 -22.0 -16.4 807 294 B E S S+ 0 0 24 -26,-0.4 21,-2.7 1,-0.2 22,-1.4 0.768 97.9 28.0 -93.4 -37.6 -16.7 -21.4 -18.2 808 295 B V E -o 829 0N 4 -27,-0.5 2,-0.6 19,-0.2 -1,-0.2 -0.933 63.7-135.7-134.2 147.9 -17.3 -25.0 -19.4 809 296 B I E -o 830 0N 0 20,-2.6 22,-2.8 -2,-0.3 2,-0.2 -0.925 36.4-179.3 -98.9 118.5 -16.5 -28.6 -18.5 810 297 B Q E >> -o 831 0N 3 -2,-0.6 4,-1.6 20,-0.2 3,-0.5 -0.597 44.4 -85.5-113.8 177.6 -15.4 -30.4 -21.7 811 298 B D H 3> S+ 0 0 43 20,-0.6 4,-2.1 1,-0.2 5,-0.2 0.881 124.6 55.6 -48.6 -49.7 -14.3 -34.0 -22.5 812 299 B G H 3> S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 104.9 53.2 -49.9 -49.5 -10.7 -33.3 -21.5 813 300 B M H <> S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 5,-0.3 0.945 106.0 51.9 -50.0 -57.1 -11.7 -32.1 -18.1 814 301 B L H X S+ 0 0 8 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.924 108.4 52.2 -50.9 -49.6 -13.7 -35.2 -17.3 815 302 B A H X S+ 0 0 40 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.900 111.3 45.9 -52.3 -47.9 -10.8 -37.5 -18.2 816 303 B M H X>S+ 0 0 1 -4,-2.0 6,-1.9 2,-0.2 4,-1.2 0.856 110.9 51.5 -67.9 -36.1 -8.4 -35.6 -15.9 817 304 B L H <5S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.863 112.3 50.5 -64.4 -34.8 -10.9 -35.6 -13.0 818 305 B D H <5S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.973 112.9 42.1 -65.5 -57.1 -11.1 -39.3 -13.7 819 306 B S H <5S- 0 0 71 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.593 110.7-120.5 -66.8 -13.9 -7.3 -39.9 -13.7 820 307 B G T <5S+ 0 0 19 -4,-1.2 -19,-0.4 2,-0.3 -3,-0.2 0.422 83.8 117.8 86.6 -1.5 -6.9 -37.6 -10.7 821 308 B R S - 0 0 0 -2,-0.3 4,-3.1 -91,-0.2 5,-0.2 -0.456 43.7 -99.8 -78.5 163.5 -19.6 -35.3 -26.7 834 321 B P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.886 125.7 50.9 -50.9 -40.0 -22.1 -38.1 -26.7 835 322 B E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.885 111.8 44.7 -68.2 -41.7 -19.4 -40.4 -25.4 836 323 B A H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 111.9 53.3 -69.1 -40.4 -18.3 -38.2 -22.6 837 324 B A H X S+ 0 0 15 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.925 108.5 50.6 -57.3 -47.0 -22.0 -37.5 -21.7 838 325 B E H X S+ 0 0 120 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.923 110.2 50.5 -54.5 -48.3 -22.5 -41.3 -21.5 839 326 B E H X S+ 0 0 84 -4,-1.9 4,-0.7 1,-0.2 3,-0.3 0.909 111.8 45.2 -60.2 -46.3 -19.5 -41.7 -19.2 840 327 B I H < S+ 0 0 5 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.831 109.5 55.8 -70.9 -31.3 -20.6 -39.0 -16.8 841 328 B N H < S+ 0 0 70 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.768 108.5 48.1 -72.2 -25.8 -24.2 -40.2 -16.6 842 329 B N H < S+ 0 0 115 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.613 124.9 30.4 -83.3 -14.6 -22.9 -43.7 -15.6 843 330 B R S >X S+ 0 0 74 -4,-0.7 4,-2.2 -3,-0.3 3,-0.8 -0.073 74.3 133.8-135.1 32.4 -20.6 -42.3 -12.9 844 331 B M H 3> S+ 0 0 5 -3,-0.4 4,-2.7 1,-0.3 5,-0.2 0.836 70.8 59.5 -57.8 -37.6 -22.4 -39.1 -11.8 845 332 B D H 3> S+ 0 0 113 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.892 111.0 42.5 -60.3 -39.5 -21.9 -39.9 -8.2 846 333 B F H X4 S+ 0 0 61 -3,-0.8 3,-1.1 2,-0.2 4,-0.3 0.975 118.0 42.0 -67.4 -58.5 -18.1 -39.8 -8.7 847 334 B F H >X S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 4,-0.8 0.789 103.8 67.5 -63.7 -30.1 -17.9 -36.8 -11.0 848 335 B R H 3< S+ 0 0 65 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.807 97.3 53.5 -62.2 -30.3 -20.4 -34.8 -8.9 849 336 B S T << S+ 0 0 85 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.566 113.7 44.6 -77.3 -7.6 -17.9 -34.7 -6.0 850 337 B K T <4 S+ 0 0 32 -3,-1.6 -25,-2.0 -4,-0.3 2,-0.4 0.482 104.9 67.2-114.9 -11.1 -15.3 -33.3 -8.4 851 338 B I E < - 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0 0 8 -4,-3.4 8,-0.1 -5,-0.2 3,-0.0 -0.113 68.2-118.6 -59.9 150.8 4.3 5.1 -41.0 991 478 B F S S+ 0 0 80 6,-0.4 2,-0.3 -614,-0.2 -1,-0.1 0.900 103.2 15.1 -54.1 -43.5 2.8 8.4 -39.6 992 479 B G - 0 0 3 3,-0.1 5,-0.4 5,-0.1 -612,-0.2 -0.916 69.7-142.2-126.4 159.9 4.3 7.4 -36.2 993 480 B K S S+ 0 0 59 -891,-1.9 -613,-0.1 -2,-0.3 -890,-0.1 0.397 84.8 82.6-103.2 2.3 6.9 4.8 -35.4 994 481 B H S S+ 0 0 8 -615,-1.0 -34,-0.5 1,-0.3 -614,-0.2 0.927 116.1 7.9 -72.2 -44.0 5.5 3.6 -32.1 995 482 B T S S- 0 0 2 -616,-1.7 -1,-0.3 -36,-0.1 -3,-0.1 -0.620 93.2-146.9-134.3 74.4 3.0 1.2 -33.8 996 483 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.111 26.8 165.7 -50.4 125.1 4.0 1.3 -37.5 997 484 B H - 0 0 12 -5,-0.4 2,-0.6 -11,-0.3 -6,-0.4 -0.992 36.8-147.1-137.9 151.9 1.1 1.0 -40.0 998 485 B L >> - 0 0 19 -2,-0.3 4,-2.0 1,-0.1 3,-1.9 -0.916 17.6-167.1-109.8 99.2 0.6 1.6 -43.7 999 486 B L T 34 S+ 0 0 14 -2,-0.6 4,-0.4 1,-0.3 -510,-0.2 0.787 82.3 64.0 -62.7 -27.3 -3.1 2.7 -43.7 1000 487 B T T 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 -510,-0.0 0.731 122.1 17.5 -66.5 -24.2 -3.3 2.2 -47.5 1001 488 B E T X4 S+ 0 0 49 -3,-1.9 3,-1.8 2,-0.1 4,-0.5 0.454 91.3 104.7-129.3 1.1 -2.7 -1.5 -47.2 1002 489 B A T 3< S+ 0 0 0 -4,-2.0 -71,-0.7 1,-0.3 3,-0.2 0.831 97.5 29.4 -50.8 -39.8 -3.4 -2.4 -43.5 1003 490 B L T 3> S+ 0 0 8 -4,-0.4 4,-2.0 -518,-0.2 -1,-0.3 0.238 93.5 102.6-105.9 13.7 -6.8 -4.0 -44.4 1004 491 B S H <> S+ 0 0 34 -3,-1.8 4,-2.7 1,-0.2 -1,-0.1 0.755 72.5 58.4 -75.3 -28.4 -5.8 -5.1 -47.9 1005 492 B W H > S+ 0 0 8 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.897 109.5 47.0 -65.6 -40.4 -5.2 -8.8 -47.2 1006 493 B H H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.939 113.6 46.3 -64.8 -48.3 -8.8 -9.0 -46.0 1007 494 B Q H X S+ 0 0 33 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.876 110.1 55.5 -62.7 -36.2 -10.1 -7.1 -49.0 1008 495 B R H X S+ 0 0 68 -4,-2.7 4,-2.5 2,-0.2 6,-0.6 0.910 107.1 49.3 -61.3 -42.2 -7.9 -9.4 -51.2 1009 496 B F H X S+ 0 0 30 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 111.9 48.7 -62.3 -43.3 -9.6 -12.4 -49.6 1010 497 B I H < S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 117.5 41.6 -57.2 -47.4 -13.0 -10.8 -50.3 1011 498 B D H < S+ 0 0 112 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.795 134.9 13.0 -73.2 -30.7 -12.0 -10.1 -53.9 1012 499 B T H < S- 0 0 88 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.460 94.4-112.6-131.6 -5.8 -10.2 -13.4 -54.7 1013 500 B G S < S+ 0 0 31 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.2 0.518 91.2 68.3 80.0 4.6 -10.9 -16.0 -52.1 1014 501 B T - 0 0 32 -6,-0.6 -2,-0.2 2,-0.1 -89,-0.2 -0.996 66.4-144.8-152.7 153.3 -7.3 -16.0 -50.8 1015 502 B M S S+ 0 0 0 -91,-2.6 -90,-0.1 -2,-0.3 -6,-0.1 0.505 75.0 103.2 -91.4 -7.8 -4.9 -13.8 -49.0 1016 503 B L S S- 0 0 58 -92,-0.2 -2,-0.1 1,-0.1 -41,-0.1 -0.613 76.9-119.8 -76.4 130.6 -2.0 -15.1 -51.1 1017 504 B P 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.229 360.0 360.0 -65.5 159.2 -0.9 -12.7 -53.8 1018 505 B S 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.805 360.0 360.0 -87.8 360.0 -1.1 -13.6 -57.5