==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-11 3AWJ . COMPND 2 MOLECULE: CHALCONE SYNTHASE-LIKE POLYKETIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUPERZIA SERRATA; . AUTHOR H.MORITA,S.KONDO,R.KATO,S.SUGIO,T.KOHNO,I.ABE . 760 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 15.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 53 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 0 1 3 0 2 4 3 1 3 1 0 4 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 4 0 2 2 1 1 2 4 2 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 2 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 20 A V 0 0 143 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.2 -41.7 35.2 28.3 2 21 A I - 0 0 130 171,-0.0 171,-0.5 0, 0.0 0, 0.0 -0.695 360.0-171.6 -83.4 118.4 -42.3 34.9 32.1 3 22 A K - 0 0 57 -2,-0.5 168,-0.1 169,-0.1 167,-0.1 -0.781 31.1 -97.1-105.7 151.5 -40.0 37.3 34.0 4 23 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 169,-0.1 -0.376 25.0-145.9 -71.2 155.6 -39.7 37.3 37.8 5 24 A D + 0 0 149 2,-0.1 165,-0.0 -2,-0.0 168,-0.0 0.883 66.8 66.4 -87.6 -44.7 -41.7 39.7 39.8 6 25 A G S S- 0 0 19 1,-0.1 3,-0.1 213,-0.0 211,-0.0 -0.226 85.2 -89.8 -83.6 169.2 -39.6 40.7 42.8 7 26 A P - 0 0 34 0, 0.0 211,-0.4 0, 0.0 2,-0.2 -0.299 56.3 -82.3 -72.5 156.9 -36.4 42.6 43.4 8 27 A A E -A 230 0A 0 222,-0.6 222,-3.8 209,-0.1 2,-0.4 -0.445 55.7-159.0 -61.3 123.7 -32.9 40.9 43.4 9 28 A T E -AB 229 216A 1 207,-2.2 207,-2.6 220,-0.2 2,-0.5 -0.945 20.2-129.6-118.2 135.7 -32.5 39.5 46.8 10 29 A I E +AB 228 215A 0 218,-3.2 217,-2.9 -2,-0.4 218,-1.0 -0.692 28.5 177.1 -78.6 117.8 -29.4 38.4 48.7 11 30 A L E + 0 0 4 203,-3.4 214,-0.4 -2,-0.5 2,-0.3 0.570 61.7 4.9-101.0 -14.7 -30.3 34.9 49.9 12 31 A A E - B 0 214A 0 202,-0.9 202,-1.6 212,-0.1 2,-0.4 -0.952 54.5-158.2-169.3 145.0 -26.9 34.0 51.6 13 32 A I E + B 0 213A 1 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.999 15.1 175.6-131.8 133.4 -23.6 35.5 52.5 14 33 A G E - B 0 212A 1 198,-2.9 198,-3.2 -2,-0.4 2,-0.3 -0.978 7.4-166.1-137.1 143.0 -20.4 33.5 53.1 15 34 A T E - B 0 211A 34 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.922 7.6-178.1-131.4 160.4 -16.9 34.7 53.8 16 35 A S E - B 0 210A 4 194,-2.5 194,-2.8 -2,-0.3 80,-0.1 -0.980 1.9-178.2-152.2 154.9 -13.3 33.4 53.9 17 36 A N - 0 0 21 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.960 39.5 -91.9-150.0 154.3 -9.8 34.7 54.7 18 37 A P - 0 0 14 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.352 36.0-121.3 -67.9 158.4 -6.4 33.0 54.7 19 38 A T S S+ 0 0 127 41,-0.1 2,-0.9 43,-0.1 43,-0.1 0.580 83.0 98.3 -79.7 -11.3 -5.2 31.5 58.0 20 39 A N E -I 61 0B 60 41,-0.7 41,-2.5 2,-0.0 2,-0.4 -0.701 61.2-158.4 -86.5 105.2 -2.0 33.6 58.4 21 40 A I E -I 60 0B 96 -2,-0.9 2,-0.5 39,-0.2 39,-0.2 -0.698 8.5-169.0 -89.1 128.0 -2.8 36.5 60.8 22 41 A F E -I 59 0B 34 37,-2.8 37,-2.0 -2,-0.4 2,-0.2 -0.978 17.7-138.1-120.0 113.4 -0.6 39.5 60.8 23 42 A E E -I 58 0B 123 -2,-0.5 3,-0.3 35,-0.2 35,-0.3 -0.525 7.8-141.1 -70.4 135.7 -1.1 42.0 63.6 24 43 A Q S > S+ 0 0 3 33,-2.5 3,-0.8 -2,-0.2 34,-0.1 0.810 95.3 68.6 -69.5 -29.3 -1.0 45.6 62.4 25 44 A S T 3 S+ 0 0 67 32,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.885 116.6 23.4 -55.7 -43.5 0.9 46.8 65.6 26 45 A T T 3> S+ 0 0 72 -3,-0.3 4,-1.3 1,-0.1 3,-0.5 0.184 90.4 107.4-112.0 15.9 4.0 44.9 64.5 27 46 A Y H <> S+ 0 0 7 -3,-0.8 4,-3.0 -4,-0.2 5,-0.2 0.850 75.5 59.9 -62.8 -35.6 3.4 44.7 60.7 28 47 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.875 102.5 53.6 -61.9 -31.1 6.2 47.3 60.0 29 48 A D H > S+ 0 0 79 -3,-0.5 4,-0.9 2,-0.2 -2,-0.2 0.910 114.9 39.3 -66.4 -43.1 8.7 45.0 61.6 30 49 A F H X S+ 0 0 42 -4,-1.3 4,-2.3 2,-0.2 3,-0.2 0.936 116.0 52.3 -69.8 -50.7 7.7 42.1 59.4 31 50 A F H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.884 112.2 42.5 -54.7 -48.6 7.3 44.2 56.2 32 51 A F H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 6,-0.4 0.739 114.3 54.0 -74.8 -19.6 10.7 45.9 56.4 33 52 A D H ><5S+ 0 0 78 -4,-0.9 3,-0.7 -3,-0.2 -2,-0.2 0.885 109.4 43.9 -81.5 -42.0 12.4 42.6 57.3 34 53 A V H 3<5S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.760 115.2 48.4 -74.9 -25.7 11.1 40.5 54.3 35 54 A T T 3<5S- 0 0 8 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.334 111.7-120.7 -94.6 5.2 11.8 43.2 51.8 36 55 A N T < 5S+ 0 0 112 -3,-0.7 -3,-0.2 1,-0.1 3,-0.2 0.872 75.0 127.5 53.9 46.0 15.3 43.7 53.2 37 56 A C > < + 0 0 9 -5,-2.8 3,-1.3 -6,-0.1 -4,-0.2 -0.038 17.9 121.6-118.3 29.6 14.6 47.4 54.0 38 57 A N T 3 S+ 0 0 75 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.757 71.7 61.6 -64.4 -24.2 15.7 47.5 57.6 39 58 A D T 3 S+ 0 0 125 1,-0.2 2,-1.9 -3,-0.2 -1,-0.3 0.660 81.5 83.0 -75.7 -20.2 18.2 50.2 56.8 40 59 A K <> + 0 0 59 -3,-1.3 4,-1.1 1,-0.2 -1,-0.2 -0.507 57.3 158.7 -85.1 66.7 15.4 52.6 55.7 41 60 A T H > + 0 0 96 -2,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.792 66.3 50.8 -62.8 -35.8 14.8 53.6 59.3 42 61 A E H > S+ 0 0 104 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.812 108.7 51.9 -75.3 -30.5 13.1 56.9 58.6 43 62 A L H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.753 104.3 58.8 -76.2 -24.6 10.7 55.3 56.2 44 63 A K H X S+ 0 0 51 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.867 102.8 51.4 -72.1 -36.6 9.8 52.7 58.8 45 64 A K H X S+ 0 0 111 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.873 110.5 50.0 -66.6 -37.5 8.7 55.4 61.3 46 65 A K H X S+ 0 0 71 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.890 112.7 45.5 -67.9 -40.2 6.4 56.8 58.5 47 66 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.808 111.2 53.0 -73.9 -31.2 4.9 53.3 57.8 48 67 A Q H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.928 109.4 49.9 -68.9 -41.2 4.5 52.7 61.6 49 68 A R H X S+ 0 0 131 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.887 112.7 46.0 -63.1 -43.2 2.6 56.1 61.8 50 69 A I H < S+ 0 0 44 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.893 114.6 47.7 -68.2 -40.7 0.3 55.1 58.8 51 70 A C H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.2 5,-0.5 0.864 109.7 53.4 -68.4 -35.5 -0.3 51.6 60.3 52 71 A D H 3< S+ 0 0 108 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.779 116.7 38.5 -68.3 -30.9 -1.0 53.1 63.7 53 72 A K T 3< S+ 0 0 166 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.359 90.7 94.6-101.7 3.8 -3.7 55.4 62.2 54 73 A S S < S- 0 0 4 -3,-0.6 -1,-0.1 -4,-0.4 -2,-0.1 0.567 87.3-130.0 -72.5 -13.3 -5.0 52.8 59.6 55 74 A G + 0 0 24 1,-0.3 2,-0.4 -3,-0.3 271,-0.1 0.623 69.9 126.1 72.2 7.8 -7.8 51.7 61.9 56 75 A I + 0 0 5 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.863 34.8 174.3-101.9 135.3 -6.6 48.1 61.2 57 76 A K S S+ 0 0 137 266,-2.2 -33,-2.5 1,-0.4 -32,-0.5 0.703 70.7 0.3-107.6 -35.1 -5.8 45.8 64.0 58 77 A K E -I 23 0B 52 265,-1.8 -1,-0.4 -35,-0.3 2,-0.3 -0.981 57.3-161.0-153.1 156.8 -5.1 42.7 62.0 59 78 A R E -I 22 0B 1 -37,-2.0 -37,-2.8 -2,-0.3 2,-0.5 -0.978 17.6-132.8-139.6 148.4 -5.0 41.4 58.4 60 79 A H E -I 21 0B 22 265,-0.5 148,-2.5 148,-0.4 2,-0.3 -0.907 29.7-177.1-104.5 128.5 -5.1 37.9 57.0 61 80 A F E -I 20 0B 7 -41,-2.5 -41,-0.7 -2,-0.5 123,-0.1 -0.971 34.8-156.9-130.1 146.6 -2.5 37.1 54.3 62 81 A H S S+ 0 0 38 -2,-0.3 5,-0.1 -43,-0.1 -1,-0.1 0.834 81.4 86.0 -80.8 -38.4 -1.7 34.2 52.0 63 82 A L + 0 0 6 4,-0.1 2,-0.3 -43,-0.1 -2,-0.1 -0.401 59.7 173.9 -66.5 132.0 1.8 35.6 51.8 64 83 A T > - 0 0 23 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.791 50.2 -96.1-128.8 176.8 4.2 34.4 54.5 65 84 A D H > S+ 0 0 61 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.908 126.2 52.6 -62.3 -38.4 7.9 34.8 55.3 66 85 A E H > S+ 0 0 159 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 110.2 43.9 -64.4 -47.5 8.3 31.3 53.7 67 86 A I H > S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.850 113.9 51.3 -70.4 -33.4 6.4 32.1 50.4 68 87 A L H < S+ 0 0 4 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.720 109.2 51.3 -75.8 -20.6 8.3 35.5 50.1 69 88 A R H < S+ 0 0 162 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.816 109.7 49.3 -82.2 -34.8 11.6 33.7 50.6 70 89 A K H < S+ 0 0 175 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.680 119.6 39.2 -77.1 -20.9 10.7 31.2 47.8 71 90 A N S >< S+ 0 0 37 -4,-1.0 3,-1.2 -5,-0.1 4,-0.4 -0.673 70.8 170.3-129.6 76.2 9.8 34.1 45.5 72 91 A P G > + 0 0 75 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.709 68.1 69.9 -62.1 -23.9 12.4 36.9 46.2 73 92 A S G > S+ 0 0 14 1,-0.2 3,-0.7 2,-0.2 6,-0.1 0.761 90.1 61.8 -67.3 -24.0 11.4 39.1 43.3 74 93 A I G < S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 117,-0.2 0.778 102.0 53.2 -71.5 -25.8 8.1 40.0 45.0 75 94 A C G < S+ 0 0 9 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.516 95.6 88.2 -84.4 -12.6 10.2 41.5 47.8 76 95 A K S < S- 0 0 100 -3,-0.7 115,-0.4 -4,-0.3 -40,-0.1 -0.678 75.7-133.9 -90.5 147.4 12.2 43.7 45.3 77 96 A F S S+ 0 0 76 -2,-0.3 114,-0.1 1,-0.1 -1,-0.1 0.974 90.6 2.1 -64.5 -66.2 11.0 47.2 44.3 78 97 A K S S+ 0 0 175 2,-0.1 -1,-0.1 173,-0.0 3,-0.1 0.474 95.3 121.4-107.3 -3.5 11.2 47.4 40.5 79 98 A E S S- 0 0 93 1,-0.2 2,-0.4 -6,-0.1 -3,-0.1 -0.238 79.5 -86.4 -64.1 147.4 12.5 43.9 39.5 80 99 A A + 0 0 36 1,-0.2 172,-0.3 2,-0.0 -1,-0.2 -0.398 68.8 143.6 -57.5 108.1 10.4 41.7 37.1 81 100 A S > + 0 0 0 170,-2.3 4,-1.5 -2,-0.4 171,-0.2 0.372 29.8 102.7-134.5 4.7 8.0 39.9 39.4 82 101 A L H > S+ 0 0 0 169,-2.4 4,-2.7 1,-0.2 5,-0.2 0.904 78.6 60.2 -60.1 -41.0 4.6 39.6 37.7 83 102 A D H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 109.6 38.0 -56.4 -53.2 5.2 35.8 36.8 84 103 A P H > S+ 0 0 23 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.828 116.0 54.6 -71.8 -24.3 5.5 34.5 40.4 85 104 A R H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.916 111.4 45.0 -67.9 -43.4 2.8 36.9 41.7 86 105 A Q H X S+ 0 0 5 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.923 107.6 57.1 -66.3 -45.6 0.4 35.6 39.1 87 106 A D H < S+ 0 0 89 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.809 114.1 40.4 -56.8 -32.5 1.3 31.9 39.8 88 107 A I H >X S+ 0 0 19 -4,-1.2 4,-2.6 -5,-0.1 3,-0.6 0.948 119.6 44.1 -79.4 -53.4 0.3 32.5 43.4 89 108 A A H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.904 107.3 56.9 -59.0 -49.0 -2.8 34.7 42.7 90 109 A V H 3< S+ 0 0 38 -4,-3.3 -1,-0.2 1,-0.2 -3,-0.1 0.757 117.2 36.5 -56.1 -30.8 -4.3 32.6 39.8 91 110 A L H <> S+ 0 0 115 -3,-0.6 4,-1.1 -4,-0.4 -1,-0.2 0.889 121.3 42.9 -89.8 -45.7 -4.4 29.5 42.1 92 111 A E H X S+ 0 0 33 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.792 102.1 64.7 -75.5 -31.7 -5.3 31.2 45.5 93 112 A V H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.931 110.9 36.0 -60.4 -49.7 -8.0 33.7 44.3 94 113 A P H > S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.837 115.9 56.4 -75.9 -24.4 -10.5 30.9 43.2 95 114 A K H X S+ 0 0 121 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.901 109.9 44.5 -68.0 -40.8 -9.4 28.6 46.1 96 115 A L H X S+ 0 0 16 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.903 113.2 51.0 -70.1 -39.0 -10.3 31.3 48.7 97 116 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.774 102.9 61.9 -67.9 -27.8 -13.5 32.1 46.8 98 117 A K H X S+ 0 0 63 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.922 104.6 46.1 -63.6 -45.2 -14.3 28.3 47.0 99 118 A E H X S+ 0 0 108 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.888 115.3 46.7 -66.9 -38.4 -14.4 28.4 50.8 100 119 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 112,-0.3 0.893 114.1 48.6 -69.4 -39.7 -16.5 31.5 50.8 101 120 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.896 108.3 52.5 -67.8 -41.5 -18.8 30.0 48.2 102 121 A I H X S+ 0 0 82 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 111.3 48.1 -61.3 -42.4 -19.2 26.7 50.0 103 122 A S H X S+ 0 0 50 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.867 113.4 47.1 -67.1 -36.7 -20.2 28.7 53.1 104 123 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.912 114.1 46.7 -71.3 -41.7 -22.7 30.8 51.1 105 124 A I H X>S+ 0 0 22 -4,-3.0 4,-2.0 2,-0.2 5,-0.5 0.891 112.6 50.0 -67.0 -39.4 -24.2 27.7 49.4 106 125 A K H <5S+ 0 0 178 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.903 112.2 47.6 -65.9 -40.6 -24.4 25.8 52.8 107 126 A Q H <5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 109.5 55.1 -68.3 -33.5 -26.2 28.9 54.4 108 127 A W H <5S- 0 0 7 -4,-1.8 117,-0.2 -5,-0.1 -2,-0.2 0.892 94.5-147.7 -66.6 -46.1 -28.5 29.1 51.4 109 128 A G T <5 + 0 0 56 -4,-2.0 -3,-0.1 1,-0.3 -4,-0.1 0.523 57.1 107.8 88.7 6.9 -29.7 25.5 51.8 110 129 A Q S - 0 0 72 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.378 29.9-122.3 -67.8 148.7 -28.2 22.4 45.8 112 131 A K G > S+ 0 0 91 1,-0.3 3,-1.2 2,-0.2 30,-0.4 0.649 106.7 74.7 -62.7 -14.2 -25.3 24.0 43.8 113 132 A S G 3 S+ 0 0 70 1,-0.3 -1,-0.3 28,-0.1 29,-0.0 0.632 84.6 65.3 -73.6 -16.3 -27.0 22.7 40.6 114 133 A K G < S+ 0 0 97 -3,-1.9 2,-0.6 61,-0.0 62,-0.3 0.523 75.6 105.3 -83.6 -7.2 -29.6 25.5 41.0 115 134 A I < + 0 0 0 -3,-1.2 27,-0.4 1,-0.2 62,-0.2 -0.670 39.4 168.1 -78.4 117.3 -26.9 28.1 40.5 116 135 A T + 0 0 16 60,-1.9 30,-2.8 -2,-0.6 2,-0.3 0.623 59.0 42.2-102.2 -26.2 -27.4 29.4 36.9 117 136 A H E -cd 146 177A 1 59,-1.6 61,-3.3 28,-0.2 2,-0.4 -0.946 57.1-164.5-128.3 150.8 -25.1 32.5 37.0 118 137 A L E -cd 147 178A 0 28,-2.9 30,-2.6 -2,-0.3 2,-0.5 -0.966 3.7-175.7-137.4 118.9 -21.6 33.3 38.4 119 138 A V E -cd 148 179A 0 59,-2.7 61,-2.7 -2,-0.4 2,-0.4 -0.970 12.7-177.1-115.2 119.0 -20.3 36.9 38.8 120 139 A F E -cd 149 180A 0 28,-2.4 30,-3.6 -2,-0.5 2,-0.4 -0.953 7.4-172.0-121.3 137.5 -16.7 37.0 40.0 121 140 A A E +cd 150 181A 0 59,-2.5 61,-2.0 -2,-0.4 2,-0.3 -0.985 15.4 150.1-131.4 134.7 -14.6 40.0 40.8 122 141 A T E -c 151 0A 1 28,-1.9 30,-1.8 -2,-0.4 31,-0.4 -0.954 30.9-171.7-158.6 147.4 -10.9 40.2 41.6 123 142 A T + 0 0 4 -2,-0.3 2,-1.2 59,-0.3 60,-0.1 0.185 67.9 102.6-120.5 10.4 -8.1 42.7 41.2 124 143 A S S S- 0 0 6 58,-0.4 -31,-0.2 1,-0.2 62,-0.1 -0.601 95.7 -53.5 -99.2 71.3 -5.5 40.1 42.2 125 144 A G - 0 0 2 -2,-1.2 2,-0.3 -36,-0.1 27,-0.2 0.142 58.3-105.0 81.1 162.0 -4.0 39.1 38.8 126 145 A V + 0 0 1 504,-0.2 504,-0.4 -3,-0.1 2,-0.3 -0.911 33.3 167.3-125.6 153.7 -5.5 38.0 35.5 127 146 A D - 0 0 14 -2,-0.3 502,-0.2 502,-0.1 4,-0.2 -0.978 33.6-106.5-161.5 156.2 -5.7 34.6 33.7 128 147 A M B S+J 628 0C 2 500,-2.0 500,-3.0 -2,-0.3 2,-0.2 -0.979 113.0 38.1-131.3 113.4 -7.4 32.8 30.8 129 148 A P S S- 0 0 4 0, 0.0 -1,-0.1 0, 0.0 619,-0.1 0.536 112.3-129.7 -65.1 145.5 -9.5 30.8 31.7 130 149 A G > - 0 0 1 617,-0.2 4,-1.9 -2,-0.2 3,-0.4 -0.004 19.4 -97.1 -66.9 176.2 -10.5 33.3 34.4 131 150 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.757 122.7 63.1 -63.6 -25.8 -11.0 32.9 38.1 132 151 A D H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 105.6 43.6 -64.7 -43.5 -14.8 32.6 37.4 133 152 A F H > S+ 0 0 12 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.907 113.4 51.9 -67.2 -46.3 -14.1 29.4 35.4 134 153 A Q H X S+ 0 0 47 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.911 111.5 46.4 -60.2 -40.6 -11.8 28.1 38.0 135 154 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.911 111.7 51.3 -66.5 -45.8 -14.3 28.7 40.8 136 155 A A H X>S+ 0 0 10 -4,-2.2 5,-2.3 1,-0.2 4,-1.1 0.856 114.0 44.7 -59.6 -37.3 -17.1 27.1 38.7 137 156 A K H <5S+ 0 0 113 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.891 112.1 51.3 -74.2 -43.1 -14.9 24.0 38.1 138 157 A L H <5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 116.1 41.3 -63.1 -37.2 -13.8 23.8 41.8 139 158 A L H <5S- 0 0 13 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.690 108.0-123.6 -83.4 -23.3 -17.4 23.9 43.1 140 159 A G T <5 + 0 0 43 -4,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.844 46.7 171.4 81.0 36.3 -18.7 21.6 40.4 141 160 A L < - 0 0 13 -5,-2.3 -28,-0.1 -6,-0.2 -1,-0.1 -0.266 47.8 -70.5 -72.5 165.0 -21.4 24.0 39.1 142 161 A R > - 0 0 93 -27,-0.4 3,-1.7 -30,-0.4 -1,-0.2 -0.246 41.7-125.5 -55.3 137.8 -23.4 23.2 35.9 143 162 A P T 3 S+ 0 0 80 0, 0.0 475,-1.4 0, 0.0 -1,-0.1 0.676 110.2 61.0 -62.4 -12.2 -21.1 23.5 32.8 144 163 A T T 3 S+ 0 0 47 473,-0.2 472,-0.5 2,-0.1 2,-0.1 0.115 71.5 142.4-100.1 18.2 -23.7 26.0 31.4 145 164 A V < - 0 0 2 -3,-1.7 2,-0.7 1,-0.1 -28,-0.2 -0.412 54.3-125.8 -63.3 125.3 -23.3 28.5 34.2 146 165 A K E -c 117 0A 32 -30,-2.8 -28,-2.9 -2,-0.1 2,-0.3 -0.741 33.7-155.1 -79.4 115.3 -23.5 32.0 32.8 147 166 A R E -c 118 0A 5 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.739 26.1-174.7-104.0 141.7 -20.4 33.9 33.8 148 167 A V E -c 119 0A 0 -30,-2.6 -28,-2.4 -2,-0.3 2,-0.7 -0.940 15.8-165.3-129.6 103.3 -19.5 37.6 34.3 149 168 A M E -c 120 0A 2 -2,-0.4 2,-0.9 -30,-0.2 383,-0.4 -0.851 2.0-166.8 -97.3 112.2 -15.8 37.9 35.1 150 169 A L E -c 121 0A 0 -30,-3.6 -28,-1.9 -2,-0.7 3,-0.4 -0.811 12.3-176.6-104.6 92.1 -14.9 41.3 36.5 151 170 A Y E -c 122 0A 6 -2,-0.9 -28,-0.2 379,-0.4 381,-0.1 -0.710 60.0 -1.7 -91.5 142.5 -11.1 41.7 36.4 152 171 A Q S S+ 0 0 2 -30,-1.8 -1,-0.2 -2,-0.3 -29,-0.2 0.772 78.4 134.5 51.3 40.6 -9.1 44.7 37.7 153 172 A Q > - 0 0 5 -3,-0.4 3,-0.8 -31,-0.4 4,-0.1 0.470 48.9-154.6 -93.4 -1.9 -12.1 46.8 38.8 154 173 A G G > - 0 0 0 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 -0.235 51.2 -16.2 69.6-150.5 -10.6 47.7 42.2 155 174 A X G 3 S+ 0 0 19 1,-0.2 209,-0.7 174,-0.2 3,-0.2 0.388 127.2 60.7 -73.8 -6.1 -12.4 48.6 45.3 156 175 A Y G X> S+ 0 0 4 -3,-0.8 4,-1.8 207,-0.3 3,-1.4 0.524 78.6 92.9 -95.4 -9.0 -15.8 49.4 43.8 157 176 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.3 5,-0.2 0.664 72.3 65.8 -59.3 -20.6 -16.2 45.8 42.5 158 177 A G H 3> S+ 0 0 1 -3,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.864 110.4 39.0 -69.8 -32.6 -18.0 44.6 45.6 159 178 A A H <> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.870 111.7 57.7 -82.6 -36.9 -20.8 46.9 44.5 160 179 A T H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.891 102.6 54.3 -61.0 -42.7 -20.4 46.2 40.8 161 180 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.883 110.4 46.2 -61.1 -36.2 -21.0 42.4 41.3 162 181 A L H X S+ 0 0 0 -4,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.801 111.4 52.0 -75.4 -30.3 -24.3 43.2 43.1 163 182 A R H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.891 114.6 42.8 -71.0 -40.6 -25.3 45.7 40.4 164 183 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.945 113.3 51.9 -70.1 -46.0 -24.6 43.0 37.7 165 184 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.809 102.9 61.8 -59.6 -32.1 -26.3 40.3 39.8 166 185 A K H X S+ 0 0 19 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.967 108.2 40.2 -59.3 -54.6 -29.3 42.6 40.1 167 186 A D H X S+ 0 0 5 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.871 116.8 49.7 -65.7 -35.5 -30.0 42.6 36.4 168 187 A L H X S+ 0 0 3 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.902 115.8 42.1 -70.4 -41.4 -29.2 38.8 35.9 169 188 A A H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 48,-0.4 0.914 116.9 46.8 -71.3 -44.1 -31.5 37.7 38.8 170 189 A E H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.655 114.3 46.6 -74.5 -18.7 -34.3 40.1 37.9 171 190 A N H 3< S+ 0 0 4 -4,-1.2 2,-0.5 -5,-0.2 -1,-0.2 0.484 105.3 61.8-102.7 -5.7 -34.4 39.3 34.1 172 191 A N S X< S- 0 0 36 -4,-0.6 3,-2.0 -3,-0.5 45,-0.3 -0.959 81.3-126.2-129.8 116.3 -34.2 35.5 34.3 173 192 A K T 3 S+ 0 0 143 -171,-0.5 3,-0.1 -2,-0.5 -3,-0.1 -0.345 95.8 6.4 -59.8 127.8 -36.9 33.3 35.9 174 193 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 43,-0.2 2,-0.1 0.453 90.9 157.0 77.7 2.7 -35.5 31.0 38.5 175 194 A A < - 0 0 3 -3,-2.0 42,-0.6 -6,-0.3 2,-0.5 -0.398 22.5-172.5 -67.3 128.6 -32.0 32.5 38.2 176 195 A R E - E 0 216A 16 -62,-0.3 -60,-1.9 40,-0.1 -59,-1.6 -0.973 11.8-155.8-125.4 108.2 -29.8 32.0 41.2 177 196 A V E -dE 117 215A 0 38,-3.5 38,-2.8 -2,-0.5 2,-0.7 -0.781 7.6-150.3 -92.1 124.6 -26.6 34.0 40.9 178 197 A L E -dE 118 214A 0 -61,-3.3 -59,-2.7 -2,-0.5 2,-0.4 -0.854 17.9-164.9 -93.5 118.6 -23.4 33.1 42.7 179 198 A V E +dE 119 213A 0 34,-3.3 34,-2.3 -2,-0.7 2,-0.4 -0.867 9.7 179.2-103.2 136.0 -21.5 36.3 43.4 180 199 A A E -dE 120 212A 0 -61,-2.7 -59,-2.5 -2,-0.4 2,-0.4 -0.987 14.9-178.9-145.5 130.4 -17.9 36.0 44.4 181 200 A C E +dE 121 211A 0 30,-2.8 30,-2.7 -2,-0.4 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-159,-0.1 -0.387 45.6 -96.5 -66.4 141.9 8.6 46.7 48.7 192 211 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.399 48.5 177.9 -67.3 140.8 8.7 50.1 50.6 193 212 A S > - 0 0 12 3,-0.4 3,-1.3 -2,-0.1 6,-0.2 -0.996 40.3-135.5-145.6 145.0 10.3 53.0 48.8 194 213 A E T 3 S+ 0 0 105 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.644 111.3 56.6 -70.3 -14.9 10.9 56.7 49.5 195 214 A T T 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.428 105.4 51.5 -94.5 -5.9 9.7 57.3 45.9 196 215 A H X> + 0 0 13 -3,-1.3 3,-0.6 1,-0.1 4,-0.5 -0.581 54.4 153.1-136.3 71.6 6.4 55.6 46.5 197 216 A L H >> S+ 0 0 72 -3,-0.3 4,-1.0 1,-0.2 3,-0.6 0.797 79.0 57.6 -70.4 -28.7 4.6 57.0 49.6 198 217 A D H 3> S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.682 100.7 60.1 -73.7 -15.9 1.2 56.1 48.2 199 218 A G H <> S+ 0 0 9 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.706 98.5 56.0 -81.7 -24.3 2.6 52.6 48.0 200 219 A L H X S+ 0 0 48 -4,-1.0 4,-1.6 2,-0.2 3,-0.7 0.948 110.4 46.7 -66.9 -47.5 -0.6 53.5 52.2 202 221 A G H 3X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.3 -2,-0.2 0.866 110.7 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