==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-SEP-06 2IDB . COMPND 2 MOLECULE: 3-OCTAPRENYL-4-HYDROXYBENZOATE CARBOXY-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.ZHOU,F.FOROUHAR,J SEETHARAMAN,Y.FANG,R.XIAO,K.CUNNINGHAM,L . 1385 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 137 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 4 0 3 4 2 5 8 6 2 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 3 1 6 0 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 PARALLEL BRIDGES PER LADDER . 8 11 14 6 0 4 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 4 3 0 3 0 0 2 1 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 6 A Y 0 0 140 0, 0.0 209,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -57.9 73.3 82.8 79.8 2 7 A N - 0 0 85 1,-0.3 2,-0.3 235,-0.0 206,-0.2 0.868 360.0 -3.4 -94.0 -43.8 76.8 81.6 80.9 3 8 A D S > S- 0 0 18 204,-0.1 4,-1.5 205,-0.1 3,-0.4 -0.878 78.3 -92.2-141.5 173.6 75.9 79.0 83.4 4 9 A L H > S+ 0 0 0 202,-0.4 4,-2.2 248,-0.3 5,-0.2 0.889 118.9 60.2 -53.6 -45.4 72.9 77.4 85.2 5 10 A R H > S+ 0 0 63 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.905 105.5 47.8 -51.2 -48.2 73.1 79.9 88.1 6 11 A D H > S+ 0 0 66 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.855 108.7 54.7 -64.6 -33.0 72.6 82.8 85.8 7 12 A F H X S+ 0 0 3 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.883 109.2 47.9 -68.0 -35.7 69.7 81.0 84.1 8 13 A L H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.817 108.3 52.4 -75.3 -30.9 68.0 80.6 87.5 9 14 A T H X S+ 0 0 68 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.877 111.7 49.2 -71.1 -34.0 68.5 84.2 88.6 10 15 A L H X S+ 0 0 46 -4,-1.6 4,-1.9 2,-0.2 3,-0.3 0.939 113.8 44.5 -66.3 -50.3 66.9 85.2 85.3 11 16 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 6,-0.7 0.897 109.6 55.3 -62.7 -42.5 64.0 82.9 85.7 12 17 A E H ><5S+ 0 0 62 -4,-2.6 3,-0.7 4,-0.3 -1,-0.2 0.811 108.4 49.7 -62.1 -29.3 63.5 83.9 89.4 13 18 A Q H 3<5S+ 0 0 141 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.902 109.7 50.3 -73.6 -42.2 63.2 87.5 88.3 14 19 A Q T 3<5S- 0 0 86 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.230 118.7-111.8 -81.0 15.2 60.7 86.6 85.6 15 20 A G T < 5S+ 0 0 56 -3,-0.7 -3,-0.2 -5,-0.1 -4,-0.1 0.630 88.4 118.9 64.6 13.0 58.6 84.7 88.2 16 21 A E < + 0 0 34 -5,-2.7 28,-3.2 -6,-0.2 2,-0.4 0.370 63.1 64.6 -89.2 2.3 59.5 81.4 86.4 17 22 A L E -a 44 0A 16 -6,-0.7 2,-0.4 26,-0.3 28,-0.2 -0.983 59.1-172.0-131.4 141.3 61.3 80.0 89.5 18 23 A K E -a 45 0A 46 26,-1.9 28,-2.2 -2,-0.4 2,-0.7 -0.999 14.8-143.2-133.8 134.1 60.0 79.1 93.0 19 24 A R E -a 46 0A 116 -2,-0.4 2,-1.4 26,-0.2 28,-0.2 -0.853 5.1-159.6-103.6 112.9 62.0 78.1 96.1 20 25 A I E +a 47 0A 3 26,-1.1 28,-0.6 -2,-0.7 29,-0.5 -0.649 18.0 169.5 -90.5 84.0 60.5 75.4 98.4 21 26 A T + 0 0 96 -2,-1.4 -1,-0.2 26,-0.2 3,-0.1 0.634 48.3 104.8 -69.3 -10.7 62.3 76.0 101.7 22 27 A L S S- 0 0 33 1,-0.1 2,-0.4 -3,-0.1 27,-0.3 -0.382 90.8 -89.1 -71.2 150.4 59.8 73.6 103.3 23 28 A P + 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.435 55.8 173.2 -64.1 117.5 61.1 70.1 104.1 24 29 A V B -d 50 0B 2 25,-1.7 27,-2.5 -2,-0.4 25,-0.0 -0.986 28.1-128.5-130.8 139.7 60.6 67.8 101.1 25 30 A D >> - 0 0 47 -2,-0.4 5,-1.3 25,-0.2 4,-0.8 -0.708 3.7-149.5 -89.5 125.3 61.7 64.2 100.5 26 31 A P T 45S+ 0 0 3 0, 0.0 107,-1.5 0, 0.0 2,-1.0 0.641 78.1 97.9 -68.0 -7.4 63.6 63.4 97.3 27 32 A H B 45S-e 133 0C 96 105,-0.2 2,-0.9 1,-0.2 -2,-0.1 -0.715 120.6 -53.9 -83.7 102.4 62.0 59.9 97.6 28 33 A L T >5S+ 0 0 13 105,-2.6 4,-1.2 -2,-1.0 -1,-0.2 0.323 125.3 92.8 44.1 -3.7 59.0 60.2 95.3 29 34 A E H X5S+ 0 0 23 -2,-0.9 4,-2.0 -4,-0.8 5,-0.2 0.903 81.9 51.9 -78.9 -41.2 57.7 63.4 97.1 30 35 A I H > S+ 0 0 0 102,-0.3 4,-4.4 2,-0.2 -1,-0.2 0.949 105.6 51.9 -63.3 -48.1 58.0 64.1 91.8 32 37 A E H X S+ 0 0 8 -4,-1.2 4,-2.4 1,-0.2 5,-0.2 0.932 113.7 42.9 -54.0 -51.1 54.5 64.6 93.2 33 38 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.921 117.8 46.5 -62.8 -43.5 55.0 68.3 93.8 34 39 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.931 110.0 54.4 -64.9 -45.1 56.7 68.7 90.4 35 40 A D H X S+ 0 0 14 -4,-4.4 4,-2.7 1,-0.2 -2,-0.2 0.962 111.5 42.5 -53.9 -58.4 54.0 66.6 88.7 36 41 A R H < S+ 0 0 48 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.922 115.5 52.4 -54.0 -44.7 51.2 68.8 89.9 37 42 A T H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.922 113.1 41.7 -57.2 -48.8 53.3 71.9 89.2 38 43 A L H >< S+ 0 0 10 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.829 106.1 64.6 -70.1 -31.8 54.1 70.9 85.6 39 44 A R T 3< S+ 0 0 105 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.548 111.1 37.8 -70.8 -2.6 50.5 69.8 85.1 40 45 A A T < S- 0 0 65 -3,-1.1 2,-1.6 -4,-0.3 -1,-0.3 -0.106 120.8 -93.4-140.1 40.5 49.4 73.4 85.6 41 46 A G < + 0 0 43 -3,-1.2 -1,-0.1 22,-0.2 -4,-0.0 -0.676 68.1 167.2 85.3 -89.6 52.0 75.5 83.9 42 47 A G - 0 0 10 -2,-1.6 -1,-0.1 -3,-0.1 21,-0.1 0.738 34.5 -97.4 52.9 140.5 54.1 76.1 87.0 43 48 A P - 0 0 12 0, 0.0 -26,-0.3 0, 0.0 2,-0.1 -0.113 50.4 -77.9 -77.7 176.3 57.6 77.5 87.4 44 49 A A E -a 17 0A 0 -28,-3.2 -26,-1.9 17,-0.1 2,-0.4 -0.496 54.1-132.0 -70.7 148.4 60.9 75.6 87.8 45 50 A L E -aB 18 59A 0 14,-2.9 14,-2.4 -28,-0.2 2,-0.4 -0.882 20.8-170.4-109.8 140.2 61.1 74.3 91.4 46 51 A L E -aB 19 58A 12 -28,-2.2 -26,-1.1 -2,-0.4 2,-0.7 -0.867 6.2-164.7-131.1 98.1 64.2 74.6 93.6 47 52 A F E +aB 20 57A 0 10,-2.6 10,-2.1 -2,-0.4 -26,-0.2 -0.732 10.8 176.5 -84.1 112.7 63.9 72.5 96.9 48 53 A E S S+ 0 0 71 -2,-0.7 -1,-0.1 -28,-0.6 -27,-0.1 0.180 71.9 55.6-103.4 20.5 66.5 73.8 99.2 49 54 A N + 0 0 65 -29,-0.5 -25,-1.7 -27,-0.3 2,-0.2 -0.317 67.1 173.7-144.3 53.7 65.5 71.6 102.1 50 55 A P B > -d 24 0B 3 0, 0.0 3,-2.2 0, 0.0 2,-0.5 -0.489 46.2-102.3 -66.9 130.4 65.6 68.0 100.9 51 56 A K T 3 S+ 0 0 88 -27,-2.5 -24,-0.1 1,-0.3 3,-0.1 -0.331 103.9 0.6 -57.5 105.5 65.0 65.6 103.8 52 57 A G T 3 S+ 0 0 75 -2,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.631 114.8 91.2 93.3 14.8 68.4 64.2 104.7 53 58 A Y < - 0 0 79 -3,-2.2 -1,-0.3 1,-0.1 76,-0.1 -0.987 58.3-151.1-141.6 153.4 70.5 66.1 102.1 54 59 A S S S+ 0 0 124 74,-0.4 75,-0.1 -2,-0.3 -1,-0.1 0.601 75.7 87.6 -97.1 -12.8 72.5 69.3 101.9 55 60 A X S S- 0 0 13 73,-0.3 245,-0.1 245,-0.1 2,-0.1 -0.750 78.7-127.8 -90.8 122.2 72.2 69.8 98.2 56 61 A P - 0 0 26 0, 0.0 245,-2.6 0, 0.0 2,-0.6 -0.449 23.6-130.6 -69.2 140.1 69.1 71.6 97.0 57 62 A V E -Bc 47 301A 0 -10,-2.1 -10,-2.6 243,-0.2 2,-0.6 -0.834 18.9-161.2 -95.7 120.9 67.3 69.7 94.3 58 63 A L E +Bc 46 302A 0 243,-3.5 245,-3.1 -2,-0.6 2,-0.3 -0.885 23.6 152.3-105.3 119.3 66.4 71.6 91.2 59 64 A C E +B 45 0A 0 -14,-2.4 -14,-2.9 -2,-0.6 245,-0.2 -0.899 43.4 42.1-142.0 170.9 63.7 70.2 88.9 60 65 A N > + 0 0 1 243,-0.4 3,-1.3 -2,-0.3 -1,-0.1 0.815 64.7 148.3 63.9 29.3 61.0 71.0 86.3 61 66 A L T 3 S+ 0 0 0 1,-0.3 3,-0.3 242,-0.3 2,-0.2 0.954 75.4 32.6 -59.6 -52.5 63.4 73.4 84.8 62 67 A F T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -19,-0.1 254,-0.1 -0.275 81.3 128.1-100.6 47.1 62.1 72.9 81.2 63 68 A G < + 0 0 5 -3,-1.3 -1,-0.2 -2,-0.2 -22,-0.2 0.409 68.0 47.5 -81.4 0.4 58.5 72.3 82.4 64 69 A T S > S- 0 0 14 -3,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.998 79.0-128.8-142.2 142.9 57.2 75.0 80.0 65 70 A P H > S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.834 111.6 59.1 -58.0 -33.3 57.8 75.6 76.3 66 71 A K H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.977 107.4 44.1 -58.4 -56.8 58.5 79.2 77.2 67 72 A R H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.761 111.3 54.3 -61.1 -29.2 61.4 78.2 79.5 68 73 A V H < S+ 0 0 4 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.951 109.5 47.7 -70.0 -46.8 62.7 75.7 77.0 69 74 A A H ><>S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 5,-0.8 0.936 111.5 50.2 -54.7 -51.9 62.8 78.5 74.4 70 75 A X H ><5S+ 0 0 5 -4,-2.6 3,-2.3 1,-0.3 -1,-0.2 0.880 100.8 63.2 -55.1 -42.9 64.6 80.8 76.8 71 76 A G T 3<5S+ 0 0 3 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.630 101.5 54.2 -59.8 -12.4 67.1 78.2 77.6 72 77 A X T < 5S- 0 0 3 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.072 121.8-103.4-109.6 23.8 68.1 78.4 74.0 73 78 A G T < 5S+ 0 0 34 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.919 101.4 95.4 56.6 47.1 68.8 82.1 73.9 74 79 A Q < - 0 0 63 -5,-0.8 -4,-0.3 -4,-0.2 5,-0.1 0.538 63.3-158.2-133.1 -32.8 65.5 82.9 72.1 75 80 A E + 0 0 50 -6,-0.5 2,-0.3 -9,-0.1 -5,-0.1 0.762 69.1 83.6 51.4 28.7 63.0 83.7 74.9 76 81 A D S >> S- 0 0 70 -10,-0.1 4,-0.7 -11,-0.1 3,-0.7 -0.807 71.5-144.5-162.9 118.1 60.2 82.8 72.4 77 82 A V G >4 S+ 0 0 61 1,-0.3 3,-0.8 -2,-0.3 4,-0.2 0.822 105.8 55.0 -50.4 -34.4 58.7 79.4 71.5 78 83 A S G >4 S+ 0 0 61 1,-0.2 3,-2.8 2,-0.2 4,-0.3 0.912 93.8 67.5 -66.5 -43.0 58.3 80.7 68.0 79 84 A A G X> S+ 0 0 17 -3,-0.7 3,-1.7 1,-0.3 4,-0.9 0.715 78.1 83.2 -49.7 -25.4 62.0 81.5 67.7 80 85 A L H XX S+ 0 0 2 -3,-0.8 4,-1.1 -4,-0.7 3,-0.6 0.817 79.5 67.5 -51.4 -29.7 62.7 77.8 67.9 81 86 A R H X> S+ 0 0 87 -3,-2.8 4,-2.2 1,-0.3 3,-0.7 0.888 93.2 56.4 -58.7 -39.2 62.0 77.8 64.1 82 87 A E H <> S+ 0 0 132 -3,-1.7 4,-1.9 -4,-0.3 -1,-0.3 0.831 103.6 55.1 -60.7 -31.9 65.1 79.9 63.6 83 88 A V H X S+ 0 0 23 -4,-2.2 3,-1.2 1,-0.2 4,-0.6 0.960 111.3 47.7 -62.4 -51.7 69.2 72.5 58.3 89 94 A F H 3< S+ 0 0 147 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.779 103.1 62.7 -59.1 -33.7 71.9 74.8 57.0 90 95 A L H 3< S+ 0 0 26 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.767 90.4 70.2 -66.7 -24.9 74.6 73.3 59.2 91 96 A K H << S+ 0 0 63 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.904 105.6 34.5 -60.7 -44.3 74.2 69.9 57.4 92 97 A E < + 0 0 150 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.0 -0.743 69.2 150.9-115.2 83.3 75.8 71.1 54.1 93 98 A P + 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.935 63.4 25.9 -78.1 -48.5 78.6 73.5 55.0 94 99 A E S S- 0 0 112 1,-0.0 6,-0.1 0, 0.0 0, 0.0 -0.905 74.8-121.8-123.7 150.2 81.0 73.1 52.1 95 100 A P - 0 0 68 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.316 42.4 -80.5 -80.8 164.5 80.8 71.9 48.5 96 101 A P - 0 0 85 0, 0.0 4,-0.4 0, 0.0 3,-0.2 -0.123 42.0-107.2 -62.2 161.5 82.6 69.0 46.8 97 102 A K S > S+ 0 0 158 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.897 113.7 68.3 -57.2 -41.7 86.2 69.3 45.6 98 103 A G T 3 S+ 0 0 53 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.915 117.2 18.0 -43.2 -58.6 85.0 69.3 42.0 99 104 A F T 3 S+ 0 0 149 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.105 93.6 106.4-106.6 23.6 83.3 72.7 42.2 100 105 A R < + 0 0 112 -3,-1.4 2,-2.4 -4,-0.4 -1,-0.2 0.729 56.8 86.6 -74.4 -19.7 84.9 74.1 45.3 101 106 A D 0 0 149 -4,-0.5 -1,-0.2 -3,-0.4 -4,-0.0 -0.430 360.0 360.0 -81.0 67.9 87.0 76.5 43.3 102 107 A L 0 0 184 -2,-2.4 -2,-0.1 0, 0.0 -1,-0.0 -0.690 360.0 360.0 169.9 360.0 84.3 79.2 43.3 103 ! 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 0.0 104 120 A X 0 0 99 0, 0.0 126,-0.1 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 62.1 83.0 78.1 67.0 105 121 A P - 0 0 82 0, 0.0 2,-0.6 0, 0.0 132,-0.0 -0.410 360.0-102.0 -80.7 155.1 85.8 76.3 68.9 106 122 A T - 0 0 56 -2,-0.1 2,-1.1 130,-0.1 132,-0.1 -0.664 30.8-139.5 -78.8 114.8 85.6 75.0 72.5 107 123 A K E -f 238 0D 105 130,-1.0 132,-0.8 -2,-0.6 2,-0.3 -0.638 19.5-157.6 -78.8 99.0 87.3 77.4 74.9 108 124 A R E -f 239 0D 134 -2,-1.1 132,-0.2 130,-0.2 2,-0.2 -0.609 6.4-158.4 -79.9 132.5 89.1 75.1 77.3 109 125 A L E -f 240 0D 57 130,-1.9 132,-0.6 -2,-0.3 3,-0.1 -0.539 18.9-136.8-103.0 173.2 90.0 76.7 80.7 110 126 A R S S+ 0 0 249 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.843 90.3 32.0 -95.2 -47.0 92.6 75.7 83.2 111 127 A G S S- 0 0 50 129,-0.0 -1,-0.1 3,-0.0 140,-0.1 -0.687 70.4-171.9-106.4 163.5 90.5 76.0 86.3 112 128 A A > - 0 0 15 -2,-0.2 3,-2.4 -3,-0.1 140,-0.1 -0.952 32.9-131.2-158.1 135.1 86.8 75.4 86.6 113 129 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.786 105.9 69.5 -57.7 -24.9 84.2 76.0 89.3 114 130 A C G 3 S+ 0 0 0 137,-1.6 142,-0.3 1,-0.3 138,-0.1 0.548 100.3 49.3 -70.9 -3.5 83.0 72.4 88.7 115 131 A Q G < S+ 0 0 38 -3,-2.4 -1,-0.3 136,-0.2 181,-0.1 0.035 76.8 106.1-120.5 22.9 86.2 71.3 90.3 116 132 A Q S < S+ 0 0 97 -3,-1.7 2,-0.4 179,-0.7 180,-0.2 0.913 87.0 33.0 -68.7 -44.1 86.1 73.5 93.4 117 133 A K E S+H 295 0E 99 178,-2.7 178,-2.6 -4,-0.3 2,-0.3 -0.948 78.7 178.8-115.4 136.5 85.2 70.5 95.6 118 134 A I E +H 294 0E 85 -2,-0.4 2,-0.3 176,-0.2 176,-0.2 -0.998 15.1 169.9-143.8 143.0 86.6 67.1 94.9 119 135 A V E -H 293 0E 40 174,-1.7 174,-2.7 -2,-0.3 2,-0.3 -0.975 15.8-175.7-144.1 148.2 86.6 63.6 96.3 120 136 A S E > -H 292 0E 47 -2,-0.3 3,-1.8 172,-0.2 172,-0.2 -0.953 41.7 -27.2-147.8 164.0 87.8 60.4 94.8 121 137 A G G > S+ 0 0 35 170,-2.9 3,-0.7 -2,-0.3 169,-0.0 -0.020 122.6 40.7 38.0-104.9 88.2 56.6 95.1 122 138 A D G 3 S+ 0 0 153 1,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.821 130.1 29.4 -36.7 -48.8 88.2 55.7 98.8 123 139 A D G < S+ 0 0 98 -3,-1.8 -1,-0.3 168,-0.1 -2,-0.1 -0.700 71.3 127.0-121.9 81.0 85.5 58.3 99.5 124 140 A V < + 0 0 2 -3,-0.7 2,-0.2 -2,-0.4 -1,-0.1 -0.253 33.7 179.2-125.9 46.9 83.1 58.9 96.6 125 141 A D > - 0 0 47 1,-0.2 3,-1.1 2,-0.1 4,-0.3 -0.296 17.7-169.7 -55.1 112.1 79.8 58.3 98.3 126 142 A L G > S+ 0 0 0 44,-2.4 3,-0.9 -2,-0.2 5,-0.4 0.636 80.8 78.4 -75.7 -14.8 77.0 58.9 95.8 127 143 A N G 3 S+ 0 0 80 1,-0.3 -1,-0.2 43,-0.2 -2,-0.1 0.604 80.5 66.1 -68.6 -14.0 74.6 58.7 98.8 128 144 A R G < S+ 0 0 128 -3,-1.1 -74,-0.4 2,-0.1 -73,-0.3 0.832 86.2 82.6 -76.6 -31.9 75.6 62.2 99.6 129 145 A I S < S- 0 0 6 -3,-0.9 2,-2.7 -4,-0.3 -3,-0.0 -0.556 89.4-123.6 -74.6 131.3 73.9 63.4 96.4 130 146 A P + 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.204 42.5 175.1 -70.8 50.4 70.0 63.9 96.8 131 147 A I - 0 0 6 -2,-2.7 2,-0.2 -5,-0.4 12,-0.1 -0.425 24.8-132.9 -58.6 128.5 69.4 61.5 93.9 132 148 A X - 0 0 0 10,-0.3 10,-1.9 -2,-0.1 2,-0.4 -0.558 8.9-139.0 -96.1 152.4 65.6 61.1 93.7 133 149 A T B -e 27 0C 11 -107,-1.5 -105,-2.6 8,-0.2 -102,-0.3 -0.887 17.4-165.8-100.4 135.8 63.3 58.1 93.4 134 150 A C + 0 0 4 -2,-0.4 -1,-0.1 6,-0.2 -102,-0.1 0.932 59.0 21.9 -92.7 -51.9 60.3 58.8 91.1 135 151 A W S > S- 0 0 11 779,-0.1 3,-2.8 138,-0.1 -1,-0.2 -0.919 75.7-111.1-123.6 150.9 57.6 56.2 91.5 136 152 A P T 3 S+ 0 0 45 0, 0.0 778,-0.1 0, 0.0 -1,-0.1 0.698 116.8 44.7 -47.0 -29.7 56.6 53.7 94.3 137 153 A E T 3 S+ 0 0 107 776,-0.2 777,-0.0 3,-0.0 2,-0.0 0.295 84.4 126.9-102.0 9.8 57.6 50.7 92.3 138 154 A D < - 0 0 17 -3,-2.8 134,-0.2 1,-0.1 132,-0.0 -0.348 63.8-127.9 -65.8 148.7 60.9 52.1 91.1 139 155 A A - 0 0 46 132,-2.2 -1,-0.1 1,-0.2 133,-0.1 0.981 69.7 -43.1 -62.3 -60.5 64.0 50.0 91.8 140 156 A A S S- 0 0 24 131,-0.2 -6,-0.2 130,-0.1 -1,-0.2 -0.917 85.6 -41.6-158.7 179.4 66.2 52.7 93.5 141 157 A P - 0 0 35 0, 0.0 26,-2.4 0, 0.0 2,-0.4 -0.220 59.5-159.5 -50.8 145.8 67.3 56.3 93.2 142 158 A L E -I 166 0E 7 -10,-1.9 2,-0.4 24,-0.2 -10,-0.3 -0.987 17.7-134.5-139.2 124.4 68.0 57.2 89.6 143 159 A I E +I 165 0E 2 22,-3.3 22,-2.7 -2,-0.4 160,-0.1 -0.641 29.1 175.6 -74.0 128.6 70.1 60.1 88.1 144 160 A T + 0 0 18 -2,-0.4 -1,-0.2 20,-0.2 159,-0.1 0.784 55.8 35.9-110.0 -32.2 67.9 61.5 85.4 145 161 A W + 0 0 12 157,-0.4 18,-0.2 159,-0.1 20,-0.1 -0.005 68.9 100.6 -98.9-149.9 69.7 64.5 83.9 146 162 A G - 0 0 3 16,-0.1 2,-0.5 1,-0.1 17,-0.5 0.661 69.2-108.6 74.0 119.7 73.4 65.1 83.5 147 163 A L E -J 204 0E 2 57,-1.8 57,-2.5 15,-0.1 2,-0.4 -0.716 26.2-137.8 -86.5 124.5 75.0 64.6 80.1 148 164 A T E -JK 203 161E 0 13,-3.6 13,-2.2 -2,-0.5 2,-0.5 -0.715 18.1-156.1 -83.1 127.3 77.2 61.5 79.8 149 165 A V E +JK 202 160E 1 53,-4.4 53,-1.8 -2,-0.4 2,-0.3 -0.920 21.8 158.4-110.3 127.7 80.4 62.3 77.9 150 166 A T E - K 0 159E 0 9,-1.4 9,-2.4 -2,-0.5 2,-0.4 -0.942 24.6-144.7-141.6 163.3 82.4 59.6 76.1 151 167 A R E - K 0 158E 64 49,-0.4 7,-0.2 -2,-0.3 5,-0.1 -0.985 22.2-114.2-133.6 142.8 84.9 59.4 73.3 152 168 A G - 0 0 7 5,-0.8 34,-0.1 3,-0.4 35,-0.1 -0.217 31.5-109.3 -68.5 164.6 85.4 56.8 70.5 153 169 A P S S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.528 114.0 9.1 -73.2 -4.5 88.6 54.6 70.4 154 170 A H S S+ 0 0 122 1,-0.1 2,-0.5 3,-0.1 3,-0.1 0.479 105.4 92.3-148.0 -17.0 89.8 56.5 67.3 155 171 A K - 0 0 103 1,-0.1 -3,-0.4 2,-0.1 -1,-0.1 -0.759 58.8-149.5 -91.3 131.5 87.5 59.6 66.7 156 172 A E S S+ 0 0 170 -2,-0.5 -1,-0.1 -5,-0.1 2,-0.0 0.836 73.3 90.3 -65.5 -33.8 88.7 62.9 68.3 157 173 A R - 0 0 83 -6,-0.1 -5,-0.8 1,-0.1 2,-0.3 -0.285 67.4-146.2 -66.9 148.8 85.1 64.1 68.6 158 174 A Q E -K 151 0E 30 -7,-0.2 67,-0.4 -9,-0.0 2,-0.3 -0.822 6.4-131.0-117.1 156.9 83.2 63.3 71.8 159 175 A N E -K 150 0E 34 -9,-2.4 -9,-1.4 -2,-0.3 2,-0.5 -0.808 3.5-149.4-111.5 149.1 79.5 62.6 72.4 160 176 A L E +K 149 0E 8 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.954 25.8 179.3-112.1 127.7 76.9 64.0 74.9 161 177 A G E -K 148 0E 5 -13,-2.2 -13,-3.6 -2,-0.5 2,-0.8 -0.973 31.1-142.1-136.5 149.5 74.2 61.7 76.0 162 178 A I + 0 0 64 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.1 -0.868 37.5 157.5-106.1 99.8 71.2 61.6 78.2 163 179 A Y - 0 0 26 -2,-0.8 14,-0.1 -17,-0.5 2,-0.1 -0.985 41.5-121.2-122.9 130.9 71.1 58.1 79.8 164 180 A R - 0 0 32 -2,-0.4 12,-1.2 12,-0.3 2,-0.5 -0.454 27.9-149.2 -70.9 144.2 69.2 57.4 83.1 165 181 A Q E -IL 143 175E 1 -22,-2.7 -22,-3.3 10,-0.1 2,-0.2 -0.942 1.7-147.8-126.4 118.2 71.5 56.0 85.8 166 182 A Q E -IL 142 174E 14 8,-0.6 8,-1.4 -2,-0.5 2,-0.9 -0.552 20.1-124.1 -79.4 139.8 70.4 53.7 88.5 167 183 A L E + L 0 173E 24 -26,-2.4 6,-0.2 -2,-0.2 3,-0.1 -0.726 43.9 154.7 -86.8 104.3 72.1 53.8 91.9 168 184 A I + 0 0 69 4,-2.0 2,-0.3 -2,-0.9 5,-0.2 0.444 61.8 5.3-110.6 0.5 73.5 50.4 92.7 169 185 A G S S- 0 0 23 3,-1.3 3,-0.4 1,-0.1 -43,-0.2 -0.993 82.2 -85.8-169.0 172.3 76.3 51.3 95.0 170 186 A K S S+ 0 0 108 -2,-0.3 -44,-2.4 1,-0.2 -43,-0.2 0.736 132.8 5.9 -60.0 -19.9 78.2 53.9 97.0 171 187 A N S S+ 0 0 49 -46,-0.2 119,-2.9 -45,-0.1 2,-0.4 0.100 113.3 93.4-151.8 26.4 80.1 54.4 93.8 172 188 A K E + M 0 289E 59 -3,-0.4 -4,-2.0 117,-0.2 -3,-1.3 -0.989 41.4 173.6-127.7 130.0 78.4 52.3 91.1 173 189 A L E -LM 167 288E 0 115,-3.1 115,-2.0 -2,-0.4 2,-0.5 -0.803 33.2-112.9-124.6 167.3 75.6 53.5 88.7 174 190 A I E -LM 166 287E 0 -8,-1.4 2,-0.9 -2,-0.3 -8,-0.6 -0.920 19.9-144.1-106.5 131.0 74.1 51.7 85.8 175 191 A X E -L 165 0E 2 111,-3.4 2,-1.4 -2,-0.5 -10,-0.1 -0.818 13.0-164.9 -95.1 99.1 74.7 53.1 82.4 176 192 A R + 0 0 19 -12,-1.2 2,-1.9 -2,-0.9 -12,-0.3 -0.557 12.6 174.4 -89.8 76.4 71.5 52.6 80.3 177 193 A W + 0 0 16 -2,-1.4 -1,-0.1 1,-0.2 -14,-0.1 -0.519 3.9 170.1 -80.4 74.0 72.6 53.1 76.7 178 194 A L + 0 0 95 -2,-1.9 -1,-0.2 2,-0.1 -15,-0.0 0.950 53.4 70.9 -49.5 -62.5 69.4 52.2 75.0 179 195 A S S S- 0 0 64 -3,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.179 81.3-128.8 -50.0 173.7 70.4 53.4 71.5 180 196 A H S S+ 0 0 134 4,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.120 92.5 55.9-110.6 12.6 72.9 51.6 69.3 181 197 A R S >> S+ 0 0 154 4,-0.1 3,-1.3 3,-0.1 4,-0.7 -0.423 86.0 36.8-125.1-161.3 74.6 55.0 68.9 182 198 A G H >> S- 0 0 21 1,-0.3 4,-1.7 2,-0.2 3,-0.8 -0.155 126.6 -6.9 51.4-136.5 76.1 57.7 71.1 183 199 A G H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.825 133.7 61.9 -59.5 -33.3 77.9 56.5 74.1 184 200 A A H <> S+ 0 0 10 -3,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.854 106.1 46.4 -62.4 -33.5 76.7 52.9 73.5 185 201 A L H < S- 0 0 59 -4,-3.2 3,-1.1 -5,-0.2 -1,-0.3 -0.527 83.7-163.4-135.6 70.1 91.4 48.1 73.3 195 211 A P T 3 S+ 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.173 73.8 13.3 -53.8 145.5 89.7 45.0 74.7 196 212 A G T 3 S+ 0 0 53 1,-0.2 2,-0.2 -5,-0.1 67,-0.2 -0.048 96.3 115.6 81.6 -35.1 89.8 44.5 78.4 197 213 A E S < S- 0 0 115 -3,-1.1 -1,-0.2 -2,-0.5 -3,-0.1 -0.514 76.3-101.2 -73.0 134.8 90.9 48.1 79.1 198 214 A R - 0 0 121 -2,-0.2 64,-0.2 1,-0.1 -1,-0.1 -0.178 31.4-123.7 -56.7 139.8 88.4 50.2 81.1 199 215 A F E - N 0 261E 1 62,-2.2 62,-1.7 -3,-0.1 2,-0.2 -0.768 23.3-126.7 -92.9 122.3 86.3 52.6 79.1 200 216 A P E + N 0 260E 36 0, 0.0 -49,-0.4 0, 0.0 2,-0.3 -0.441 34.6 172.6 -68.5 136.4 86.5 56.2 80.3 201 217 A V E - N 0 259E 0 58,-2.6 58,-2.1 -2,-0.2 2,-0.3 -0.998 12.8-174.5-147.8 143.0 83.2 57.9 81.1 202 218 A S E -JN 149 258E 0 -53,-1.8 -53,-4.4 -2,-0.3 2,-0.5 -1.000 7.4-160.3-140.3 138.8 82.1 61.3 82.6 203 219 A V E -JN 148 257E 0 54,-2.8 54,-3.6 -2,-0.3 2,-0.6 -0.968 6.6-157.3-120.8 128.5 78.7 62.7 83.5 204 220 A A E -JN 147 256E 0 -57,-2.5 -57,-1.8 -2,-0.5 2,-0.4 -0.918 7.2-163.4-109.6 119.6 78.0 66.4 84.0 205 221 A L E + N 0 255E 4 50,-3.4 50,-2.5 -2,-0.6 49,-1.6 -0.849 68.9 11.8-101.6 134.2 75.1 67.5 86.2 206 222 A G S S+ 0 0 2 -2,-0.4 -202,-0.4 48,-0.2 48,-0.3 0.951 78.8 164.1 70.0 53.4 73.7 71.0 86.0 207 223 A A - 0 0 0 -3,-0.3 -1,-0.1 46,-0.2 -204,-0.1 -0.353 51.0 -64.1 -91.0 175.8 75.5 72.5 82.9 208 224 A D > - 0 0 3 -206,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.338 51.3-112.3 -60.8 143.5 74.4 75.7 81.1 209 225 A P H > S+ 0 0 7 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.803 116.1 56.0 -46.0 -34.7 71.0 75.4 79.5 210 226 A A H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.954 106.8 45.3 -66.5 -51.2 72.6 75.5 76.0 211 227 A T H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.896 117.3 48.3 -60.2 -36.4 74.9 72.6 76.5 212 228 A I H X S+ 0 0 3 -4,-2.3 4,-1.4 2,-0.2 3,-0.4 0.994 116.2 40.5 -64.6 -61.4 72.0 70.7 78.0 213 229 A L H X S+ 0 0 2 -4,-3.5 4,-3.2 1,-0.3 -2,-0.2 0.789 112.1 57.9 -58.8 -29.0 69.6 71.6 75.2 214 230 A G H < S+ 0 0 0 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.933 104.7 50.3 -67.0 -42.0 72.3 71.0 72.7 215 231 A A H < S+ 0 0 12 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.814 115.3 46.4 -63.4 -27.8 72.7 67.5 74.0 216 232 A V H < S+ 0 0 42 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.954 99.0 69.8 -79.0 -56.8 68.9 67.2 73.5 217 233 A T S < S- 0 0 4 -4,-3.2 2,-0.4 -5,-0.1 103,-0.0 -0.366 91.8-114.8 -65.0 140.4 68.4 68.6 70.1 218 234 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.676 35.9-167.5 -80.7 129.5 69.8 66.4 67.3 219 235 A V - 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