==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JAN-10 3LGK . COMPND 2 MOLECULE: EPI-ISOZIZAENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR J.A.AARON,X.LIN,D.E.CANE,D.W.CHRISTIANSON . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 79.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 2 2 0 0 2 0 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 2 0 0 1 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 18 A P >> 0 0 103 0, 0.0 3,-2.4 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 110.6 20.2 -2.4 -44.7 2 19 A P T 34 + 0 0 122 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.797 360.0 53.3 -49.4 -42.2 20.1 1.4 -45.1 3 20 A S T 34 S+ 0 0 44 1,-0.2 223,-0.0 3,-0.0 222,-0.0 0.795 114.5 43.7 -62.9 -26.4 16.4 1.7 -44.2 4 21 A L T <4 S+ 0 0 29 -3,-2.4 2,-0.3 222,-0.1 -1,-0.2 0.599 90.1 100.1 -96.7 -12.6 17.1 -0.3 -41.0 5 22 A R < - 0 0 138 -4,-1.2 308,-0.0 -3,-0.4 0, 0.0 -0.573 48.9-170.6 -78.6 136.8 20.3 1.5 -39.9 6 23 A L >> - 0 0 2 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.824 8.4-169.7-131.0 93.7 20.0 4.2 -37.2 7 24 A P H 3> S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.801 86.1 59.4 -55.7 -33.5 23.2 6.2 -36.6 8 25 A V H 3> S+ 0 0 58 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.916 106.5 45.9 -63.6 -41.8 21.8 7.8 -33.5 9 26 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.951 114.6 48.1 -64.2 -46.7 21.3 4.4 -31.7 10 27 A E H < S+ 0 0 63 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 122.1 35.6 -62.0 -36.3 24.7 3.3 -32.8 11 28 A A H < S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 130.1 26.3 -83.2 -39.9 26.3 6.5 -31.6 12 29 A A H < S+ 0 0 37 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.547 110.5 60.2-110.3 -9.1 24.2 7.4 -28.5 13 30 A F < - 0 0 2 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.0 -0.659 68.2-162.2-125.8 73.6 22.8 4.2 -27.0 14 31 A P - 0 0 94 0, 0.0 296,-0.1 0, 0.0 -4,-0.1 -0.313 28.3-108.7 -57.9 134.7 25.7 1.9 -26.0 15 32 A R - 0 0 119 295,-0.1 2,-0.3 -5,-0.1 292,-0.1 -0.294 32.9-165.4 -68.5 144.0 24.6 -1.7 -25.5 16 33 A Q - 0 0 107 42,-0.4 2,-0.4 291,-0.2 45,-0.0 -0.929 0.9-160.9-124.1 154.5 24.5 -3.2 -22.1 17 34 A L - 0 0 85 -2,-0.3 41,-0.2 42,-0.0 40,-0.1 -0.971 20.9-124.0-143.1 125.7 24.2 -6.9 -21.1 18 35 A H > - 0 0 10 39,-2.8 3,-2.0 -2,-0.4 43,-0.1 -0.469 24.1-130.8 -64.3 134.1 23.1 -8.5 -17.9 19 36 A P T 3 S+ 0 0 110 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.653 102.6 68.9 -66.1 -14.6 25.8 -10.8 -16.6 20 37 A Y T >> + 0 0 41 1,-0.2 4,-2.2 2,-0.1 3,-0.5 0.487 67.8 111.2 -78.2 -2.1 23.3 -13.6 -16.1 21 38 A W H <> S+ 0 0 103 -3,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.807 71.4 50.6 -48.4 -41.0 22.8 -13.9 -19.9 22 39 A P H 3> S+ 0 0 64 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.953 115.0 41.8 -66.4 -44.3 24.5 -17.4 -20.4 23 40 A K H <> S+ 0 0 99 -3,-0.5 4,-2.6 -4,-0.2 5,-0.3 0.827 108.9 63.0 -67.3 -30.7 22.5 -19.1 -17.6 24 41 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.952 104.3 45.4 -59.2 -50.4 19.3 -17.2 -18.8 25 42 A Q H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.918 115.0 46.7 -62.1 -46.6 19.4 -18.9 -22.2 26 43 A E H X S+ 0 0 87 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.903 114.5 46.7 -61.7 -43.2 20.1 -22.4 -20.7 27 44 A T H X S+ 0 0 41 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.858 111.9 49.5 -72.6 -34.9 17.4 -22.1 -18.1 28 45 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.914 109.9 51.9 -70.1 -41.3 14.7 -20.8 -20.5 29 46 A R H X S+ 0 0 62 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.921 111.2 48.1 -57.3 -43.8 15.5 -23.6 -22.9 30 47 A T H X S+ 0 0 78 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.868 111.6 50.1 -64.4 -37.4 15.0 -26.1 -20.1 31 48 A W H X S+ 0 0 20 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.934 108.1 51.8 -69.4 -46.3 11.8 -24.4 -19.0 32 49 A L H <>S+ 0 0 1 -4,-2.9 5,-2.2 1,-0.2 6,-0.5 0.915 114.4 44.1 -55.9 -44.4 10.3 -24.4 -22.5 33 50 A L H ><5S+ 0 0 75 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.928 112.2 51.6 -66.0 -45.4 11.0 -28.2 -22.8 34 51 A E H 3<5S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.883 113.8 43.7 -60.6 -37.7 9.8 -29.0 -19.3 35 52 A K T 3<5S- 0 0 51 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.433 105.0-131.8 -87.4 0.9 6.5 -27.2 -20.0 36 53 A R T < 5 + 0 0 169 -3,-1.3 -3,-0.2 -4,-0.2 84,-0.1 0.871 53.1 152.1 49.3 43.9 6.2 -28.8 -23.4 37 54 A L < - 0 0 16 -5,-2.2 -4,-0.1 -6,-0.2 -1,-0.1 0.847 67.0 -1.4 -75.4 -29.9 5.5 -25.4 -24.9 38 55 A M S S- 0 0 20 -6,-0.5 -1,-0.2 2,-0.0 -2,-0.1 -0.947 89.8 -84.1-150.3 162.4 6.9 -26.1 -28.3 39 56 A P >> - 0 0 85 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.327 48.1-101.4 -70.9 160.6 8.7 -29.1 -29.9 40 57 A A H 3> S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.866 119.8 53.1 -47.7 -50.9 12.4 -29.6 -29.4 41 58 A D H 3> S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 113.0 44.5 -56.2 -41.7 13.4 -28.2 -32.9 42 59 A K H <> S+ 0 0 107 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.885 113.0 50.6 -71.7 -37.5 11.4 -25.0 -32.3 43 60 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.893 110.7 48.9 -64.9 -41.9 12.7 -24.6 -28.7 44 61 A E H X>S+ 0 0 104 -4,-2.8 4,-3.0 -5,-0.2 5,-1.4 0.939 111.9 49.7 -66.3 -44.8 16.4 -25.0 -29.8 45 62 A E H X>S+ 0 0 111 -4,-2.0 5,-3.2 -5,-0.3 4,-0.7 0.936 113.7 46.0 -54.8 -49.2 15.8 -22.5 -32.6 46 63 A Y H <5S+ 0 0 6 -4,-2.5 6,-2.0 3,-0.2 7,-0.2 0.969 126.1 26.8 -61.3 -54.6 14.2 -20.0 -30.1 47 64 A A H <5S+ 0 0 0 -4,-2.7 6,-0.2 4,-0.2 -2,-0.2 0.813 137.6 22.0 -82.2 -31.6 16.8 -20.3 -27.3 48 65 A D H <5S+ 0 0 59 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.1 0.725 125.0 42.1-112.7 -31.2 19.9 -21.3 -29.2 49 66 A G T < + 0 0 32 -6,-0.5 3,-1.9 -7,-0.3 4,-0.3 0.884 25.6 176.7 48.5 52.3 19.0 -16.5 -28.8 52 69 A Y T >> + 0 0 59 -6,-2.0 3,-1.7 1,-0.3 4,-0.6 0.709 66.6 74.4 -60.5 -23.3 15.8 -14.5 -27.9 53 70 A T H >> S+ 0 0 0 1,-0.3 4,-2.2 -7,-0.2 3,-0.6 0.789 81.6 72.1 -65.8 -21.1 16.6 -14.4 -24.2 54 71 A D H <> S+ 0 0 52 -3,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.777 85.3 67.0 -61.6 -24.7 19.3 -11.8 -25.1 55 72 A L H <4 S+ 0 0 28 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.935 107.7 37.8 -60.3 -45.0 16.5 -9.3 -25.7 56 73 A M H XX S+ 0 0 4 -4,-0.6 4,-1.8 -3,-0.6 3,-1.5 0.889 113.5 56.3 -73.5 -41.0 15.6 -9.4 -22.0 57 74 A A H 3< S+ 0 0 0 -4,-2.2 -39,-2.8 1,-0.3 -1,-0.2 0.744 108.2 48.9 -62.0 -26.0 19.3 -9.6 -20.9 58 75 A G T 3< S+ 0 0 5 -4,-1.8 -42,-0.4 -41,-0.2 253,-0.3 0.430 118.5 40.2 -91.1 4.6 20.0 -6.4 -22.8 59 76 A Y T <4 S+ 0 0 0 -3,-1.5 2,-2.1 1,-0.1 248,-0.2 0.805 104.4 52.0-115.7 -67.0 17.0 -4.6 -21.3 60 77 A Y S >< S+ 0 0 0 -4,-1.8 3,-1.9 247,-0.1 -1,-0.1 -0.331 72.3 179.4 -81.9 59.1 16.4 -5.3 -17.6 61 78 A L T 3 + 0 0 34 -2,-2.1 243,-0.1 1,-0.3 -3,-0.1 -0.319 66.7 24.2 -62.0 142.4 19.9 -4.4 -16.4 62 79 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 242,-0.0 3,-0.1 0.355 85.2 143.1 85.4 -7.3 20.3 -4.8 -12.7 63 80 A A < - 0 0 4 -3,-1.9 -1,-0.3 1,-0.1 130,-0.1 -0.372 60.7-105.2 -62.3 142.1 17.4 -7.3 -12.2 64 81 A P > - 0 0 70 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.389 36.1-110.4 -57.2 151.4 18.0 -10.0 -9.6 65 82 A D H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 118.1 52.0 -55.1 -39.4 18.7 -13.3 -11.5 66 83 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 110.5 47.6 -68.2 -33.6 15.4 -14.8 -10.4 67 84 A V H > S+ 0 0 5 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.943 111.8 49.5 -70.9 -48.7 13.4 -11.8 -11.7 68 85 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.909 111.7 49.5 -56.3 -42.1 15.3 -11.8 -15.0 69 86 A Q H X S+ 0 0 9 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.905 109.6 50.7 -66.4 -41.1 14.6 -15.5 -15.4 70 87 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.904 113.0 47.4 -61.3 -38.0 10.9 -15.1 -14.6 71 88 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.921 111.2 49.4 -69.4 -44.1 10.8 -12.3 -17.2 72 89 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.906 112.3 48.2 -60.7 -43.3 12.6 -14.3 -19.9 73 90 A D H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.929 113.1 47.7 -65.4 -43.9 10.4 -17.3 -19.3 74 91 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.933 112.6 49.5 -60.6 -43.4 7.2 -15.1 -19.5 75 92 A S H X S+ 0 0 20 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.886 110.2 50.1 -66.7 -35.6 8.6 -13.5 -22.6 76 93 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.921 110.1 50.8 -63.9 -44.6 9.3 -16.9 -24.1 77 94 A W H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.918 106.9 54.9 -54.1 -42.4 5.7 -17.9 -23.3 78 95 A F H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.882 105.3 52.8 -62.6 -39.2 4.5 -14.7 -25.0 79 96 A F H X S+ 0 0 72 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.901 110.7 47.0 -60.1 -42.3 6.4 -15.8 -28.2 80 97 A V H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.881 110.4 52.2 -71.0 -38.6 4.6 -19.1 -28.1 81 98 A W H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.922 108.0 52.0 -62.0 -43.6 1.2 -17.5 -27.5 82 99 A N H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.869 109.0 50.3 -61.6 -38.6 1.8 -15.3 -30.5 83 100 A D H X S+ 0 0 61 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.909 111.2 48.1 -63.2 -44.8 2.6 -18.3 -32.6 84 101 A R H X S+ 0 0 32 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.918 111.1 51.7 -59.3 -43.3 -0.6 -20.0 -31.4 85 102 A H H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.906 111.0 47.3 -60.2 -45.1 -2.6 -16.8 -32.1 86 103 A D H X S+ 0 0 59 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.907 112.9 48.8 -65.4 -43.0 -1.2 -16.6 -35.7 87 104 A R H X S+ 0 0 98 -4,-2.3 4,-2.1 1,-0.2 6,-0.2 0.902 110.3 51.0 -63.5 -42.2 -1.9 -20.3 -36.3 88 105 A D H <>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 4,-0.4 0.880 113.6 46.5 -61.5 -38.1 -5.5 -19.9 -34.9 89 106 A I H ><5S+ 0 0 11 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.959 111.1 49.3 -70.1 -51.4 -6.0 -17.0 -37.3 90 107 A V H 3<5S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.845 120.9 36.7 -56.8 -37.8 -4.5 -18.7 -40.4 91 108 A H T 3<5S- 0 0 135 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.351 108.3-121.9-100.8 6.0 -6.7 -21.8 -39.9 92 109 A G T < 5 + 0 0 47 -3,-1.2 2,-2.5 -4,-0.4 3,-0.3 0.765 46.6 165.5 62.8 32.2 -9.8 -20.0 -38.6 93 110 A R >< + 0 0 105 -5,-2.0 4,-2.6 -6,-0.2 5,-0.2 -0.360 6.3 158.2 -79.2 65.8 -10.0 -21.8 -35.2 94 111 A A H > S+ 0 0 56 -2,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.881 71.8 50.8 -55.4 -40.5 -12.4 -19.3 -33.8 95 112 A G H > S+ 0 0 57 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.928 111.5 44.5 -67.0 -46.2 -13.6 -21.8 -31.2 96 113 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 115.0 50.5 -66.4 -35.8 -10.1 -22.8 -30.0 97 114 A W H X S+ 0 0 1 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.957 109.1 49.0 -67.6 -49.9 -9.1 -19.1 -29.8 98 115 A R H X S+ 0 0 173 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.900 112.7 49.4 -54.2 -44.2 -12.2 -18.0 -27.9 99 116 A R H X S+ 0 0 139 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.942 112.8 45.8 -60.2 -50.4 -11.6 -20.8 -25.4 100 117 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.933 110.2 55.4 -57.3 -47.2 -7.9 -20.0 -24.9 101 118 A R H X S+ 0 0 46 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.944 112.1 42.5 -50.1 -53.5 -8.8 -16.3 -24.6 102 119 A G H X S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.888 112.5 53.0 -66.1 -39.7 -11.2 -17.1 -21.7 103 120 A L H X S+ 0 0 26 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.878 106.4 53.4 -60.1 -40.2 -8.8 -19.5 -20.1 104 121 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.884 107.7 50.9 -66.9 -36.0 -6.0 -16.9 -20.1 105 122 A H H X S+ 0 0 36 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.935 114.0 45.2 -60.1 -46.4 -8.3 -14.4 -18.3 106 123 A T H X S+ 0 0 68 -4,-1.9 4,-1.8 1,-0.2 3,-0.4 0.924 113.8 46.8 -66.6 -45.3 -9.1 -17.0 -15.7 107 124 A A H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 104.4 61.7 -67.4 -30.9 -5.6 -18.3 -15.2 108 125 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.878 110.2 41.8 -62.3 -34.0 -4.2 -14.7 -14.9 109 126 A D H < S+ 0 0 104 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.823 133.8 19.1 -83.3 -34.2 -6.5 -14.2 -11.8 110 127 A S >< + 0 0 37 -4,-1.8 3,-1.4 -5,-0.1 -1,-0.2 -0.573 65.4 165.9-138.5 75.0 -5.8 -17.6 -10.3 111 128 A P G > S+ 0 0 13 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.820 73.6 67.7 -55.7 -35.4 -2.6 -19.1 -11.7 112 129 A G G > S+ 0 0 47 1,-0.3 3,-0.6 2,-0.2 4,-0.1 0.765 95.4 53.5 -59.4 -30.1 -2.5 -21.7 -9.0 113 130 A D G < S+ 0 0 128 -3,-1.4 -1,-0.3 1,-0.2 3,-0.1 0.423 112.2 46.0 -85.1 -0.4 -5.6 -23.5 -10.2 114 131 A H G X S+ 0 0 21 -3,-1.9 3,-1.4 -4,-0.2 12,-0.3 0.217 70.8 109.9-129.3 11.4 -4.1 -23.8 -13.7 115 132 A L T < S+ 0 0 39 -3,-0.6 12,-0.1 1,-0.3 -2,-0.1 0.759 91.0 35.0 -66.5 -24.4 -0.6 -25.1 -13.2 116 133 A H T 3 S+ 0 0 178 -4,-0.1 -1,-0.3 -3,-0.1 4,-0.1 -0.037 85.1 158.7-120.7 31.7 -1.3 -28.5 -14.6 117 134 A H < - 0 0 41 -3,-1.4 6,-0.2 2,-0.2 -3,-0.1 -0.193 51.0-123.5 -58.6 143.6 -3.9 -27.6 -17.3 118 135 A E S S+ 0 0 181 1,-0.1 2,-0.9 4,-0.1 -1,-0.1 0.827 104.1 70.4 -54.7 -36.8 -4.5 -30.0 -20.2 119 136 A D S >> S- 0 0 32 1,-0.2 4,-2.1 2,-0.0 3,-0.9 -0.792 77.1-157.2 -84.3 108.4 -3.6 -27.1 -22.6 120 137 A T H 3> S+ 0 0 61 -2,-0.9 4,-2.4 1,-0.3 5,-0.2 0.780 90.3 61.6 -59.2 -27.1 0.2 -26.8 -22.0 121 138 A L H 3> S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.866 108.0 43.4 -67.4 -34.1 0.1 -23.2 -23.2 122 139 A V H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.868 113.2 51.3 -76.7 -38.5 -2.3 -22.3 -20.4 123 140 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 -6,-0.2 -2,-0.2 0.892 110.2 49.1 -65.1 -39.0 -0.3 -24.3 -17.9 124 141 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.885 110.7 51.6 -68.9 -38.4 2.9 -22.5 -19.0 125 142 A F H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.954 108.7 50.1 -57.7 -51.4 1.2 -19.2 -18.6 126 143 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -12,-0.3 5,-0.2 0.897 110.5 50.3 -59.1 -41.5 -0.0 -20.0 -15.1 127 144 A D H X S+ 0 0 12 -4,-2.0 4,-1.8 -13,-0.2 -1,-0.2 0.921 112.7 45.1 -64.9 -42.8 3.5 -21.0 -14.1 128 145 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.944 115.5 47.1 -66.3 -45.1 5.1 -17.8 -15.5 129 146 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.920 109.4 53.5 -60.9 -47.6 2.4 -15.5 -14.0 130 147 A R H < S+ 0 0 113 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.906 111.1 47.7 -55.2 -42.3 2.6 -17.3 -10.6 131 148 A R H >< S+ 0 0 48 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.923 109.0 51.7 -67.7 -41.5 6.3 -16.7 -10.5 132 149 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 4,-0.4 0.792 103.8 61.1 -65.4 -26.8 6.0 -13.0 -11.5 133 150 A Y T 3< S+ 0 0 44 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.417 90.6 70.1 -77.6 -0.5 3.5 -12.5 -8.7 134 151 A A T < S+ 0 0 81 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.1 0.491 88.9 61.2 -95.7 -3.4 6.1 -13.5 -6.0 135 152 A F S < S+ 0 0 63 -3,-0.9 -2,-0.1 -4,-0.2 -1,-0.1 0.860 103.4 25.8 -97.2 -39.4 8.3 -10.4 -6.3 136 153 A L S S- 0 0 23 -4,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.754 92.2 -71.6-123.8 168.6 6.2 -7.4 -5.3 137 154 A P >> - 0 0 74 0, 0.0 4,-1.6 0, 0.0 3,-1.6 -0.088 51.6-100.5 -57.2 158.9 3.1 -6.6 -3.2 138 155 A A H 3> S+ 0 0 75 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.724 119.9 66.9 -56.4 -25.4 -0.4 -7.6 -4.3 139 156 A T H 3> S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.868 103.4 44.6 -64.1 -38.7 -1.0 -4.0 -5.6 140 157 A W H <> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.921 111.7 53.4 -69.4 -44.6 1.6 -4.5 -8.3 141 158 A N H X S+ 0 0 26 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.910 108.4 49.7 -55.2 -45.0 0.2 -8.0 -9.1 142 159 A A H X S+ 0 0 62 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.854 110.1 50.7 -63.1 -37.0 -3.3 -6.5 -9.6 143 160 A R H X S+ 0 0 9 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.917 110.0 49.3 -67.3 -42.4 -1.9 -3.8 -11.9 144 161 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.942 113.3 48.6 -58.5 -46.2 -0.0 -6.4 -14.0 145 162 A A H X S+ 0 0 9 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.937 109.9 49.7 -60.2 -46.6 -3.3 -8.4 -14.1 146 163 A R H X S+ 0 0 135 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.930 114.0 46.7 -61.5 -43.8 -5.4 -5.4 -15.1 147 164 A H H X S+ 0 0 27 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.893 112.8 48.9 -62.9 -40.8 -2.9 -4.6 -17.9 148 165 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.858 104.0 58.3 -74.2 -32.2 -2.7 -8.2 -19.1 149 166 A H H X S+ 0 0 42 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.925 107.7 50.4 -56.2 -39.6 -6.5 -8.6 -19.3 150 167 A T H X S+ 0 0 62 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.886 107.5 51.7 -66.7 -40.7 -6.3 -5.6 -21.6 151 168 A V H X S+ 0 0 5 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.920 107.7 52.4 -59.8 -48.3 -3.6 -7.3 -23.7 152 169 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.932 109.4 49.2 -55.3 -46.1 -5.7 -10.5 -24.1 153 170 A E H X S+ 0 0 47 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.857 107.9 54.1 -64.1 -32.9 -8.7 -8.5 -25.3 154 171 A A H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.884 105.0 53.7 -67.6 -36.1 -6.5 -6.6 -27.8 155 172 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.876 106.7 53.6 -64.0 -33.6 -5.4 -10.0 -29.2 156 173 A D H X S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.909 107.0 50.4 -67.2 -40.7 -9.1 -10.9 -29.6 157 174 A R H X S+ 0 0 109 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.911 111.3 48.6 -61.2 -43.7 -9.6 -7.7 -31.6 158 175 A E H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.859 107.1 57.4 -64.7 -34.9 -6.7 -8.5 -33.8 159 176 A F H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.953 110.8 41.5 -58.3 -49.5 -8.1 -12.0 -34.2 160 177 A H H X S+ 0 0 70 -4,-2.1 4,-1.5 2,-0.2 6,-0.3 0.909 115.2 51.4 -69.1 -38.8 -11.4 -10.7 -35.6 161 178 A N H <>S+ 0 0 16 -4,-2.5 5,-3.0 1,-0.2 3,-0.2 0.970 115.5 40.4 -54.9 -58.4 -9.7 -8.1 -37.8 162 179 A R H ><5S+ 0 0 23 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.861 113.3 51.5 -66.4 -37.7 -7.3 -10.5 -39.4 163 180 A T H 3<5S+ 0 0 46 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.825 115.5 43.4 -72.7 -25.6 -9.7 -13.4 -39.9 164 181 A R T 3<5S- 0 0 154 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.248 115.2-116.1 -98.9 10.2 -12.2 -11.1 -41.6 165 182 A G T < 5 + 0 0 21 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.740 60.0 154.4 63.3 28.1 -9.4 -9.4 -43.6 166 183 A I < - 0 0 67 -5,-3.0 -1,-0.2 -6,-0.3 -2,-0.1 -0.780 33.1-153.3 -94.1 117.5 -9.9 -6.0 -42.0 167 184 A V - 0 0 12 -2,-0.6 69,-0.1 75,-0.1 71,-0.1 -0.808 22.6-127.6 -90.5 117.9 -6.9 -3.7 -42.1 168 185 A P - 0 0 2 0, 0.0 79,-0.2 0, 0.0 78,-0.1 -0.326 26.5-103.8 -64.7 144.1 -7.1 -1.3 -39.1 169 186 A G > - 0 0 20 1,-0.1 4,-2.8 77,-0.1 5,-0.2 -0.102 37.9-101.7 -58.9 167.2 -6.7 2.5 -39.8 170 187 A V H > S+ 0 0 16 73,-0.2 4,-2.4 1,-0.2 5,-0.2 0.962 122.6 41.1 -62.0 -52.7 -3.4 4.1 -38.9 171 188 A E H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 115.1 52.8 -64.6 -36.3 -4.5 5.7 -35.7 172 189 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 109.9 49.3 -64.1 -40.7 -6.5 2.6 -34.8 173 190 A Y H X S+ 0 0 4 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.925 106.6 53.7 -65.5 -46.3 -3.4 0.4 -35.3 174 191 A L H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.943 113.4 44.6 -52.7 -49.3 -1.2 2.6 -33.2 175 192 A E H X S+ 0 0 118 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.917 115.8 45.3 -62.0 -47.3 -3.6 2.3 -30.3 176 193 A L H >X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 3,-1.3 0.905 109.3 55.7 -63.3 -42.6 -4.2 -1.4 -30.7 177 194 A R H 3X S+ 0 0 45 -4,-3.3 4,-2.4 1,-0.3 5,-0.3 0.810 97.2 63.1 -65.0 -30.7 -0.4 -2.2 -31.1 178 195 A R H 3<>S+ 0 0 57 -4,-1.5 5,-1.6 -5,-0.3 6,-0.5 0.801 112.5 39.4 -59.8 -26.4 0.3 -0.5 -27.8 179 196 A L H <<5S+ 0 0 51 -3,-1.3 3,-0.4 -4,-0.6 -2,-0.2 0.911 116.8 44.3 -91.4 -47.7 -1.8 -3.2 -26.4 180 197 A T H <5S+ 0 0 2 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.778 113.8 51.7 -71.3 -24.1 -0.8 -6.3 -28.4 181 198 A F T <5S- 0 0 20 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.704 110.9-131.0 -80.5 -17.5 2.9 -5.4 -28.1 182 199 A A T >>5 + 0 0 0 -3,-0.4 4,-1.8 -5,-0.3 3,-1.0 0.871 39.8 171.8 69.3 42.1 2.1 -5.2 -24.3 183 200 A H H 3> S+ 0 0 55 -6,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.693 106.0 58.2 -79.8 -19.3 2.5 -1.5 -20.2 185 202 A I H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.944 108.3 44.6 -67.5 -52.0 3.5 -5.0 -19.2 186 203 A W H < S+ 0 0 14 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.874 114.2 52.4 -61.5 -31.4 7.2 -4.4 -20.1 187 204 A T H >< S+ 0 0 9 -4,-1.6 3,-1.3 -5,-0.3 4,-0.4 0.947 108.8 48.4 -67.1 -47.9 6.8 -1.0 -18.3 188 205 A D H >< S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.867 104.0 61.5 -53.1 -43.8 5.4 -2.8 -15.2 189 206 A L T 3X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.632 85.2 76.5 -66.4 -12.6 8.2 -5.3 -15.2 190 207 A L H <> S+ 0 0 1 -3,-1.3 4,-1.3 -4,-0.5 -1,-0.3 0.840 91.0 58.6 -60.3 -30.0 10.7 -2.4 -14.7 191 208 A E H <>>S+ 0 0 1 -3,-1.7 5,-2.1 -4,-0.4 4,-0.8 0.926 104.2 42.6 -79.0 -46.4 9.7 -2.4 -11.1 192 209 A P H 45S+ 0 0 3 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.869 111.5 61.1 -62.2 -30.8 10.5 -6.0 -9.9 193 210 A S H <5S+ 0 0 2 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.857 112.5 34.7 -63.8 -33.6 13.7 -5.5 -11.9 194 211 A S H <5S- 0 0 38 -4,-1.3 -1,-0.2 -3,-0.3 -3,-0.1 0.388 114.2-116.6-102.0 2.6 14.7 -2.6 -9.7 195 212 A G T <5S+ 0 0 55 -4,-0.8 2,-0.4 -3,-0.5 -4,-0.1 0.688 79.3 99.6 79.1 22.1 13.2 -4.1 -6.6 196 213 A C < - 0 0 11 -5,-2.1 2,-0.6 -6,-0.2 -2,-0.2 -0.938 63.0-143.1-148.2 119.0 10.6 -1.4 -6.0 197 214 A E - 0 0 44 -2,-0.4 100,-0.0 -5,-0.1 -9,-0.0 -0.694 35.5-137.6 -71.8 120.1 6.9 -1.0 -6.7 198 215 A L - 0 0 1 -2,-0.6 -7,-0.0 1,-0.1 -1,-0.0 -0.638 16.4-111.3 -83.6 138.3 6.6 2.7 -7.6 199 216 A P >> - 0 0 48 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.302 30.1-111.0 -58.3 151.5 3.7 4.8 -6.1 200 217 A D H 3> S+ 0 0 86 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.848 117.4 57.3 -54.4 -39.7 1.2 6.0 -8.7 201 218 A A H 34 S+ 0 0 84 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.810 110.3 45.1 -65.6 -29.3 2.3 9.6 -8.3 202 219 A V H X4 S+ 0 0 12 -3,-1.1 3,-1.4 2,-0.2 6,-0.2 0.955 116.7 40.7 -78.5 -53.6 5.8 8.6 -9.3 203 220 A R H 3< 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