==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-JUL-12 4GAX . COMPND 2 MOLECULE: AMORPHA-4,11-DIENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTEMISIA ANNUA; . AUTHOR J.LI,Z.PENG . 525 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 76.0 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 . 2 0.4 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 0.2 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 . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 0 2 0 2 4 1 2 1 2 0 1 0 0 3 1 0 0 0 1 1 0 0 0 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 . 1 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 13 A A 0 0 131 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.3 -23.3 -14.0 -7.3 2 14 A N - 0 0 159 248,-0.0 2,-0.4 0, 0.0 246,-0.1 -0.957 360.0-151.3-122.0 143.7 -24.6 -15.9 -4.2 3 15 A F - 0 0 69 -2,-0.4 503,-0.1 246,-0.3 246,-0.0 -0.887 30.2-104.7-108.9 147.7 -23.9 -15.3 -0.5 4 16 A S - 0 0 66 -2,-0.4 247,-0.5 502,-0.2 3,-0.1 -0.288 42.8 -99.3 -63.9 151.2 -24.0 -18.2 2.0 5 17 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.219 52.1 -79.3 -64.4 162.7 -27.1 -18.3 4.4 6 18 A S - 0 0 24 1,-0.1 3,-0.4 2,-0.0 246,-0.1 -0.423 35.9-143.9 -60.2 140.0 -26.7 -16.9 7.9 7 19 A I S S+ 0 0 98 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.608 92.0 66.7 -82.4 -8.8 -24.9 -19.5 10.0 8 20 A W S > S- 0 0 10 1,-0.2 3,-1.3 2,-0.0 -1,-0.2 0.654 77.5-171.0 -90.4 -18.0 -27.1 -18.6 13.0 9 21 A G T 3 - 0 0 56 -3,-0.4 3,-0.3 1,-0.2 -1,-0.2 -0.355 60.0 -36.0 62.4-137.1 -30.5 -19.8 11.8 10 22 A D T >> S+ 0 0 133 1,-0.2 3,-1.2 2,-0.1 4,-0.6 0.207 100.6 112.1-106.3 14.5 -33.4 -18.8 14.0 11 23 A Q T <4 S+ 0 0 88 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.716 83.0 41.1 -65.8 -22.3 -31.7 -19.1 17.4 12 24 A F T 34 S+ 0 0 4 -3,-0.3 -1,-0.3 -4,-0.1 222,-0.2 0.487 91.6 87.7-101.7 -4.1 -31.8 -15.4 18.2 13 25 A L T <4 S+ 0 0 37 -3,-1.2 2,-0.5 1,-0.2 222,-0.2 0.945 97.7 26.2 -64.3 -53.0 -35.3 -14.6 16.8 14 26 A I S < S- 0 0 106 -4,-0.6 2,-0.5 220,-0.1 -1,-0.2 -0.948 78.2-150.9-111.2 131.4 -37.2 -15.4 20.0 15 27 A V - 0 0 35 -2,-0.5 -3,-0.1 1,-0.1 -4,-0.0 -0.882 17.9-179.2-105.8 134.2 -35.5 -15.0 23.4 16 28 A D + 0 0 124 -2,-0.5 -1,-0.1 2,-0.0 -2,-0.0 0.003 20.4 172.7-113.4 23.7 -36.5 -17.1 26.4 17 29 A N - 0 0 55 207,-0.1 2,-0.6 1,-0.1 -2,-0.1 -0.095 20.6-148.6 -48.8 128.1 -33.9 -15.5 28.7 18 30 A Q - 0 0 147 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.886 15.4-171.3-123.7 107.5 -34.7 -16.9 32.1 19 31 A V - 0 0 98 -2,-0.6 2,-0.2 1,-0.0 202,-0.0 -0.543 17.3-132.9-102.7 156.6 -34.1 -15.0 35.4 20 32 A E > - 0 0 126 -2,-0.2 3,-0.6 1,-0.1 2,-0.2 -0.601 35.3-102.8 -92.9 164.6 -34.3 -15.8 39.1 21 33 A Q T 3 S+ 0 0 191 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.499 98.6 24.8 -86.5 158.8 -36.1 -13.6 41.6 22 34 A G T 3> S+ 0 0 30 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 0.475 78.8 122.3 69.8 0.5 -34.4 -11.2 44.0 23 35 A V H <> S+ 0 0 23 -3,-0.6 4,-1.8 1,-0.3 5,-0.2 0.822 73.2 57.9 -61.9 -29.3 -31.4 -11.0 41.6 24 36 A E H > S+ 0 0 151 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.897 109.3 44.9 -61.4 -40.7 -32.2 -7.2 41.6 25 37 A Q H > S+ 0 0 80 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.902 110.6 49.6 -75.1 -46.9 -31.7 -7.2 45.4 26 38 A I H X S+ 0 0 75 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.943 114.2 47.8 -55.3 -47.9 -28.5 -9.3 45.6 27 39 A V H X S+ 0 0 9 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.853 106.9 57.0 -65.3 -35.1 -27.0 -7.1 43.0 28 40 A K H X S+ 0 0 88 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.938 109.8 43.4 -63.2 -47.2 -28.1 -3.9 44.8 29 41 A D H X S+ 0 0 61 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.831 111.2 54.6 -69.6 -33.7 -26.3 -4.8 48.0 30 42 A L H X S+ 0 0 8 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.923 105.3 55.3 -61.2 -44.0 -23.2 -5.9 46.1 31 43 A K H X S+ 0 0 38 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.879 105.9 50.5 -54.1 -44.1 -23.2 -2.5 44.5 32 44 A K H X S+ 0 0 100 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.832 107.3 53.2 -67.4 -35.7 -23.2 -0.7 47.8 33 45 A E H X S+ 0 0 95 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.912 111.0 47.7 -64.5 -41.6 -20.3 -2.8 49.1 34 46 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.881 108.5 53.3 -67.8 -38.5 -18.3 -1.9 46.0 35 47 A R H X S+ 0 0 94 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.943 109.4 50.1 -58.9 -44.1 -19.1 1.8 46.4 36 48 A Q H X S+ 0 0 92 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.861 107.4 53.7 -63.0 -38.2 -17.8 1.6 49.9 37 49 A L H X S+ 0 0 50 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.918 111.4 45.4 -59.5 -45.4 -14.6 -0.0 48.7 38 50 A L H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 114.0 49.4 -66.0 -41.8 -14.0 2.8 46.3 39 51 A K H X S+ 0 0 119 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 110.2 49.9 -64.6 -44.9 -14.8 5.4 48.9 40 52 A E H < S+ 0 0 81 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.882 114.4 44.5 -62.6 -41.2 -12.5 3.9 51.5 41 53 A A H >< S+ 0 0 8 -4,-1.9 3,-0.7 -5,-0.2 6,-0.3 0.881 113.7 49.9 -71.2 -40.8 -9.6 3.7 49.1 42 54 A L H 3< S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 103.7 60.1 -64.6 -39.9 -10.1 7.2 47.7 43 55 A D T 3< S+ 0 0 107 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.643 102.6 56.7 -67.5 -14.4 -10.4 8.8 51.2 44 56 A I X - 0 0 66 -3,-0.7 3,-2.5 -4,-0.4 4,-0.2 -0.924 67.4-155.2-128.3 113.8 -6.8 7.7 52.1 45 57 A P G > S+ 0 0 85 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.828 95.8 62.7 -52.6 -40.9 -3.8 8.7 50.0 46 58 A M G 3 S+ 0 0 169 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.794 105.4 49.0 -51.9 -30.2 -1.8 5.7 51.2 47 59 A K G <> S+ 0 0 78 -3,-2.5 4,-1.9 -6,-0.3 -1,-0.3 0.316 79.3 101.9 -95.6 10.3 -4.5 3.5 49.5 48 60 A H H <> S+ 0 0 3 -3,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.872 79.5 52.8 -65.5 -34.8 -4.5 5.4 46.2 49 61 A A H > S+ 0 0 16 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.912 110.5 49.0 -62.7 -40.9 -2.5 2.7 44.5 50 62 A N H > S+ 0 0 100 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.826 107.0 56.6 -66.7 -30.9 -5.0 0.1 45.7 51 63 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 -10,-0.2 -2,-0.2 0.920 105.4 50.0 -65.4 -42.8 -7.8 2.4 44.4 52 64 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.902 110.2 51.1 -61.8 -40.9 -6.3 2.3 40.9 53 65 A K H X S+ 0 0 24 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.886 110.4 48.4 -62.9 -40.3 -6.1 -1.5 41.1 54 66 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 110.9 50.6 -66.2 -42.4 -9.8 -1.7 42.2 55 67 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.940 110.1 50.8 -59.6 -47.2 -10.8 0.7 39.3 56 68 A D H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.893 110.6 48.3 -57.4 -41.8 -8.8 -1.5 36.9 57 69 A E H X S+ 0 0 26 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.933 110.9 50.1 -69.1 -41.8 -10.5 -4.7 38.2 58 70 A I H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 6,-0.5 0.923 114.1 46.3 -59.8 -41.7 -14.0 -3.1 37.9 59 71 A Q H ><5S+ 0 0 24 -4,-2.5 3,-0.9 1,-0.2 5,-0.3 0.933 115.5 43.7 -68.5 -47.4 -13.2 -2.0 34.3 60 72 A R H 3<5S+ 0 0 27 -4,-2.7 137,-0.3 1,-0.3 138,-0.2 0.793 107.7 59.3 -70.3 -28.7 -11.8 -5.3 33.2 61 73 A L T 3<5S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.574 115.2-119.9 -74.9 -9.6 -14.6 -7.2 34.9 62 74 A G T < 5S+ 0 0 2 -3,-0.9 -3,-0.2 -4,-0.4 3,-0.2 0.678 85.5 106.1 86.3 20.2 -16.9 -5.2 32.6 63 75 A I > < + 0 0 1 -5,-2.1 3,-1.7 -6,-0.2 4,-0.5 0.098 32.9 113.7-116.8 20.5 -19.0 -3.5 35.4 64 76 A S G > + 0 0 21 -6,-0.5 3,-1.8 -5,-0.3 7,-0.2 0.852 69.4 68.6 -60.2 -30.4 -17.6 0.0 35.1 65 77 A Y G > S+ 0 0 11 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.695 92.9 59.5 -63.2 -18.7 -21.0 1.2 33.9 66 78 A L G < S+ 0 0 29 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.707 115.9 32.6 -77.4 -20.0 -22.4 0.5 37.3 67 79 A F G <> S+ 0 0 0 -3,-1.8 4,-2.9 -4,-0.5 5,-0.3 -0.198 73.8 136.2-132.6 41.8 -19.9 3.0 38.9 68 80 A E H <> S+ 0 0 71 -3,-0.5 4,-2.8 1,-0.2 5,-0.3 0.933 78.7 41.1 -57.8 -54.0 -19.5 5.7 36.2 69 81 A Q H > S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 115.9 50.8 -63.3 -42.4 -19.7 8.6 38.6 70 82 A E H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 115.1 42.1 -64.8 -42.6 -17.6 7.0 41.2 71 83 A I H X S+ 0 0 3 -4,-2.9 4,-2.8 -7,-0.2 5,-0.3 0.923 114.9 48.6 -71.3 -47.7 -14.8 6.0 38.8 72 84 A D H X S+ 0 0 65 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.944 115.1 46.6 -56.7 -44.9 -14.8 9.4 36.9 73 85 A H H X S+ 0 0 82 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.902 112.6 49.8 -64.6 -40.7 -14.7 11.2 40.2 74 86 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.946 113.5 44.1 -62.0 -51.6 -11.9 8.9 41.5 75 87 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.855 112.1 54.2 -65.1 -34.4 -9.7 9.3 38.5 76 88 A Q H X S+ 0 0 83 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.922 110.4 46.6 -61.2 -44.9 -10.4 13.1 38.4 77 89 A H H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.872 111.8 50.6 -68.1 -37.9 -9.2 13.3 42.0 78 90 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.5 0.928 112.2 47.7 -62.7 -45.4 -6.2 11.2 41.3 79 91 A Y H X S+ 0 0 81 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.928 114.4 46.0 -63.0 -44.6 -5.3 13.4 38.4 80 92 A E H < S+ 0 0 124 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.844 114.7 47.8 -66.1 -33.4 -5.8 16.6 40.5 81 93 A T H < S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.924 129.4 16.0 -77.6 -44.0 -3.8 15.3 43.4 82 94 A Y H >< S- 0 0 62 -4,-2.3 3,-2.6 1,-0.2 -3,-0.2 0.580 82.4-173.4-108.2 -11.9 -0.7 14.0 41.7 83 95 A G T 3< S- 0 0 21 -4,-1.8 3,-0.4 -5,-0.5 -1,-0.2 -0.248 73.1 -24.8 48.0-132.1 -1.0 15.6 38.3 84 96 A D T 3 S+ 0 0 47 1,-0.2 -1,-0.3 21,-0.1 25,-0.1 0.392 127.5 83.8 -84.4 4.5 1.8 14.3 36.1 85 97 A N < + 0 0 132 -3,-2.6 -1,-0.2 23,-0.0 -2,-0.1 -0.022 49.6 149.0-109.7 30.8 3.9 13.4 39.1 86 98 A W + 0 0 13 -3,-0.4 9,-0.0 1,-0.1 -7,-0.0 -0.403 11.1 167.4 -55.9 134.4 2.7 10.0 40.3 87 99 A S + 0 0 113 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.375 35.3 96.2-149.5 64.5 5.5 8.0 41.8 88 100 A G S > S- 0 0 40 1,-0.3 3,-0.6 -39,-0.0 6,-0.1 -0.555 82.5 -54.7-126.9-166.9 4.1 5.0 43.6 89 101 A A T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 -0.354 121.7 36.9 -56.2 159.8 3.4 1.4 43.2 90 102 A R T 3> + 0 0 50 1,-0.1 4,-2.7 -3,-0.1 -1,-0.2 0.811 69.1 148.6 61.3 35.4 1.3 0.8 40.1 91 103 A S H <> S+ 0 0 19 -3,-0.6 4,-2.3 2,-0.2 5,-0.1 0.924 74.0 48.6 -65.7 -41.3 3.0 3.5 38.1 92 104 A S H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 113.6 47.5 -63.4 -38.1 2.4 1.6 34.9 93 105 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.914 109.5 53.2 -69.5 -41.2 -1.2 1.1 35.8 94 106 A W H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.941 108.3 51.1 -57.4 -45.9 -1.6 4.8 36.7 95 107 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.921 113.3 43.2 -59.6 -49.0 -0.3 5.8 33.3 96 108 A R H X S+ 0 0 13 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.912 114.4 48.5 -67.8 -44.1 -2.6 3.6 31.4 97 109 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.873 111.8 51.0 -64.7 -37.4 -5.8 4.4 33.4 98 110 A M H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 4,-0.4 0.965 113.6 43.3 -62.1 -51.0 -5.0 8.1 33.2 99 111 A R H ><5S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.878 110.4 55.5 -65.5 -37.7 -4.6 8.0 29.4 100 112 A K H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.0 53.4 -59.5 -33.6 -7.7 5.7 29.0 101 113 A Q T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.563 127.7-102.8 -79.3 -7.1 -9.6 8.5 30.9 102 114 A G T < 5S+ 0 0 6 -3,-1.2 2,-0.7 -4,-0.4 -3,-0.2 0.486 77.9 136.4 99.7 1.8 -8.3 11.0 28.4 103 115 A Y < - 0 0 55 -5,-2.5 2,-2.8 -6,-0.2 -1,-0.3 -0.772 51.8-142.1 -87.2 116.1 -5.6 12.6 30.5 104 116 A F + 0 0 80 -2,-0.7 -1,-0.1 371,-0.3 -5,-0.1 -0.330 32.8 175.9 -78.6 61.4 -2.5 13.1 28.4 105 117 A V - 0 0 1 -2,-2.8 2,-0.1 -10,-0.2 -21,-0.1 -0.318 26.5-117.7 -60.5 147.3 -0.1 12.2 31.2 106 118 A T > - 0 0 47 1,-0.1 3,-0.7 -22,-0.1 -1,-0.1 -0.346 12.9-113.2 -91.2 173.5 3.5 12.0 30.1 107 119 A C G > S+ 0 0 12 1,-0.2 3,-2.4 2,-0.1 4,-0.3 0.477 89.2 100.8 -80.1 -2.8 6.1 9.2 30.0 108 120 A D G > + 0 0 98 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.806 68.5 70.5 -52.6 -32.5 8.3 10.8 32.7 109 121 A V G < S+ 0 0 20 -3,-0.7 3,-0.4 1,-0.3 -1,-0.3 0.759 94.8 56.1 -58.9 -23.1 6.8 8.4 35.3 110 122 A F G X S+ 0 0 1 -3,-2.4 3,-2.8 1,-0.2 4,-0.4 0.608 76.4 95.0 -85.4 -12.1 8.8 5.6 33.6 111 123 A N G X S+ 0 0 87 -3,-1.8 3,-1.2 -4,-0.3 -1,-0.2 0.831 83.5 52.3 -53.4 -35.9 12.2 7.2 33.8 112 124 A N G 3 S+ 0 0 130 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.278 87.0 80.0 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A K S < S- 0 0 42 -4,-2.2 -1,-0.3 -5,-0.1 5,-0.1 -0.891 78.3-123.6-156.3 122.8 -3.6 -8.5 21.8 184 196 A P >> - 0 0 17 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.310 28.7-110.1 -70.4 158.0 -3.1 -5.9 24.4 185 197 A L G >4 S+ 0 0 15 1,-0.3 3,-0.5 2,-0.2 8,-0.1 0.841 114.7 57.5 -51.4 -44.1 -5.9 -4.8 26.7 186 198 A W G 34 S+ 0 0 20 1,-0.2 -1,-0.3 -50,-0.2 307,-0.1 0.843 108.4 46.8 -60.7 -34.9 -6.3 -1.3 25.1 187 199 A K G <4 S+ 0 0 24 -3,-0.9 2,-0.3 2,-0.1 -1,-0.2 0.697 95.1 87.7 -82.9 -20.9 -6.9 -2.9 21.7 188 200 A R S << S- 0 0 16 -4,-1.1 306,-0.1 -3,-0.5 305,-0.1 -0.636 89.6-109.5 -80.7 134.7 -9.5 -5.5 22.9 189 201 A L >> - 0 0 10 -2,-0.3 4,-2.3 304,-0.1 3,-0.6 -0.399 29.1-120.2 -60.8 139.6 -13.1 -4.3 23.0 190 202 A P H 3> S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.808 110.8 51.1 -56.4 -37.7 -14.2 -4.0 26.7 191 203 A R H 3> S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.849 110.9 49.1 -69.9 -32.6 -17.0 -6.5 26.5 192 204 A I H <> S+ 0 0 7 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.880 109.5 52.5 -72.2 -37.2 -14.7 -9.1 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X S+ 0 0 84 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.889 109.1 54.9 -69.3 -37.5 -30.6 11.6 -6.6 305 317 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.5 0.868 108.6 48.6 -59.7 -37.4 -33.3 9.7 -4.8 306 318 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.923 110.6 50.4 -69.9 -40.9 -31.1 9.7 -1.7 307 319 A E H < S+ 0 0 47 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.873 110.6 50.6 -59.0 -38.7 -30.4 13.5 -2.2 308 320 A R H < S- 0 0 150 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.864 88.4-165.8 -69.8 -37.9 -34.2 13.9 -2.5 309 321 A W < + 0 0 21 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.1 0.944 41.9 113.6 51.2 63.4 -34.8 12.0 0.7 310 322 A S > - 0 0 37 -5,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.919 68.5-134.7-162.9 138.1 -38.6 11.5 0.4 311 323 A I G > S+ 0 0 73 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.725 98.9 76.7 -65.0 -20.1 -40.8 8.5 -0.2 312 324 A T G > S+ 0 0 110 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.740 86.6 59.2 -66.1 -23.4 -42.7 10.5 -2.9 313 325 A C G X + 0 0 11 -3,-1.4 3,-1.4 1,-0.2 -1,-0.3 0.167 69.8 110.3 -90.9 21.5 -39.9 9.9 -5.4 314 326 A L G X S+ 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-4,-0.9 -1,-0.3 -5,-0.1 -2,-0.1 0.509 113.8-117.8 -84.2 -6.2 -15.6 3.2 4.3 389 401 A G T <>5S+ 0 0 5 -3,-2.2 4,-3.1 -31,-0.0 5,-0.4 0.485 74.4 129.6 89.9 4.5 -18.2 4.5 6.7 390 402 A A H > S+ 0 0 19 -6,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.896 118.9 49.9 -66.8 -42.6 -18.0 9.5 9.2 392 404 A L H > S+ 0 0 5 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.945 110.7 46.5 -67.3 -49.4 -21.3 7.7 8.9 393 405 A L H X S+ 0 0 9 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.879 113.6 51.2 -60.0 -39.6 -20.9 5.3 11.8 394 406 A T H X S+ 0 0 1 -4,-1.4 4,-1.4 -5,-0.4 -2,-0.2 0.955 113.9 41.5 -63.6 -50.6 -19.6 8.1 14.0 395 407 A T H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.761 107.8 61.4 -72.2 -22.4 -22.6 10.4 13.3 396 408 A T H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.874 104.5 50.5 -67.5 -35.3 -25.0 7.4 13.5 397 409 A C H X S+ 0 0 6 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.861 105.4 56.7 -64.5 -37.0 -23.7 7.2 17.1 398 410 A Y H < S+ 0 0 1 -4,-1.4 7,-0.3 1,-0.2 3,-0.2 0.942 108.0 46.7 -57.0 -48.1 -24.4 10.9 17.5 399 411 A L H >< S+ 0 0 2 -4,-2.1 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-4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.905 111.6 49.1 -65.8 -42.6 -4.8 -1.1 5.5 430 442 A L H >< S+ 0 0 12 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.885 112.8 47.9 -66.3 -36.8 -6.2 -3.8 7.7 431 443 A N H >X S+ 0 0 22 -4,-1.8 4,-3.1 -5,-0.2 3,-1.1 0.800 106.1 58.0 -73.1 -28.8 -8.5 -5.0 5.0 432 444 A D H 3< S+ 0 0 47 -4,-1.7 9,-0.4 1,-0.2 -1,-0.2 0.592 96.2 65.6 -75.5 -11.2 -5.7 -5.0 2.4 433 445 A L T << S+ 0 0 23 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.085 122.7 13.4 -99.9 21.4 -3.8 -7.5 4.7 434 446 A A T <4 S- 0 0 52 -3,-1.1 69,-0.2 68,-0.0 -2,-0.2 0.238 123.1 -80.1-156.2 -28.4 -6.4 -10.2 4.2 435 447 A G < 0 0 31 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.117 360.0 360.0 126.7 127.7 -8.4 -9.0 1.2 436 448 A H 0 0 106 -4,-0.1 -4,-0.1 -8,-0.0 -1,-0.1 0.235 360.0 360.0 -71.8 360.0 -11.3 -6.7 0.2 437 ! 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 0.0 438 458 A S >> 0 0 109 0, 0.0 4,-3.2 0, 0.0 2,-3.1 0.000 360.0 360.0 360.0 74.8 -3.0 -10.1 -2.1 439 459 A S T 45 + 0 0 99 1,-0.2 -7,-0.0 3,-0.2 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