==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JAN-00 1EE0 . COMPND 2 MOLECULE: 2-PYRONE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GERBERA HYBRID CULTIVAR; . AUTHOR J.M.JEZ,M.B.AUSTIN,J.FERRER,M.E.BOWMANN,J.SCHROEDER,J.P.NOEL . 751 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 14.9 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 . 3 0.4 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 . 50 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 0 4 0 0 2 4 2 0 2 0 4 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 3 8 2 0 0 0 4 2 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 . 8 0 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 G 0 0 94 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-177.2 33.9 41.4 65.4 2 21 A L - 0 0 46 1,-0.1 211,-0.3 210,-0.1 209,-0.1 -0.372 360.0 -96.4 -67.9 141.6 33.5 37.8 64.3 3 22 A A - 0 0 0 222,-0.3 222,-3.3 209,-0.2 2,-0.4 -0.346 50.6-158.1 -50.2 128.2 30.9 35.5 65.9 4 23 A T E -AB 211 224A 2 207,-2.5 207,-2.3 220,-0.2 2,-0.5 -0.944 19.7-126.4-125.2 140.8 32.8 33.7 68.6 5 24 A I E +AB 210 223A 0 218,-3.0 217,-2.7 -2,-0.4 218,-1.1 -0.782 32.5 171.9 -82.2 120.9 32.2 30.4 70.3 6 25 A L E + 0 0 2 203,-3.1 214,-0.5 -2,-0.5 2,-0.3 0.454 58.8 10.1-111.0 -18.2 32.2 31.2 74.1 7 26 A A E -A 209 0A 0 202,-0.9 202,-1.8 212,-0.1 2,-0.3 -0.951 54.9-161.7-163.4 149.2 31.1 28.0 75.7 8 27 A I E +A 208 0A 4 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.944 9.0 178.8-136.5 131.6 30.4 24.4 74.8 9 28 A G E -A 207 0A 4 198,-2.6 198,-2.7 -2,-0.3 2,-0.3 -0.937 5.6-170.5-128.2 137.5 28.3 21.8 76.8 10 29 A T E +A 206 0A 23 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.959 5.7 176.3-123.5 162.7 27.5 18.1 75.8 11 30 A A E -A 205 0A 5 194,-2.2 194,-2.5 -2,-0.3 84,-0.1 -0.993 6.0-169.0-154.5 154.4 25.2 15.4 77.2 12 31 A T - 0 0 36 -2,-0.3 192,-0.2 192,-0.2 44,-0.1 -0.927 37.6 -89.9-137.7 157.0 24.2 11.8 76.2 13 32 A P - 0 0 8 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.316 41.4-117.4 -55.8 155.2 21.5 9.4 77.4 14 33 A P S S+ 0 0 129 0, 0.0 2,-0.2 0, 0.0 43,-0.1 0.887 88.6 89.4 -67.7 -42.2 22.7 7.3 80.4 15 34 A N - 0 0 57 41,-0.3 41,-2.4 40,-0.1 2,-0.4 -0.393 58.7-171.8 -64.3 122.1 22.4 3.8 78.6 16 35 A C E -I 55 0B 59 39,-0.3 2,-0.4 -2,-0.2 39,-0.2 -0.954 6.2-165.0-114.4 137.1 25.7 2.9 77.0 17 36 A V E -I 54 0B 21 37,-2.3 37,-1.5 -2,-0.4 2,-0.3 -0.996 19.6-129.1-126.9 125.1 26.2 -0.1 74.7 18 37 A A E >> -I 53 0B 40 -2,-0.4 3,-1.5 35,-0.2 4,-0.8 -0.543 12.0-136.9 -69.8 142.7 29.6 -1.5 73.7 19 38 A Q H >> S+ 0 0 8 33,-2.2 3,-1.3 1,-0.3 4,-0.7 0.920 104.2 63.8 -68.2 -33.0 30.0 -2.0 69.9 20 39 A A H 34 S+ 0 0 97 32,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.814 112.4 37.0 -63.0 -18.8 31.7 -5.3 70.5 21 40 A D H <> S+ 0 0 99 -3,-1.5 4,-2.1 1,-0.1 -1,-0.3 0.512 93.1 91.9-106.4 -8.1 28.4 -6.4 72.0 22 41 A Y H S+ 0 0 76 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.934 116.0 47.9 -62.5 -41.9 24.5 -9.9 69.7 25 44 A Y H X S+ 0 0 35 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.982 113.1 48.2 -61.3 -48.9 22.2 -7.3 71.4 26 45 A Y H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.949 113.4 43.5 -62.8 -49.1 20.6 -6.2 68.1 27 46 A F H <>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.3 6,-0.5 0.854 115.8 51.2 -70.7 -22.2 19.8 -9.7 66.7 28 47 A R H ><5S+ 0 0 120 -4,-1.5 3,-1.4 -5,-0.3 -2,-0.2 0.964 113.1 41.7 -77.9 -53.9 18.5 -10.8 70.1 29 48 A V H 3<5S+ 0 0 16 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.785 116.8 48.6 -68.5 -24.0 16.2 -7.8 70.7 30 49 A T T 3<5S- 0 0 8 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.358 108.3-127.9 -94.8 8.2 14.9 -7.8 67.1 31 50 A K T < 5 + 0 0 173 -3,-1.4 -3,-0.2 1,-0.1 3,-0.2 0.884 68.2 130.2 53.6 46.3 14.4 -11.6 67.4 32 51 A S > < + 0 0 9 -5,-2.6 3,-2.1 -6,-0.2 7,-0.2 0.090 13.2 127.6-123.5 26.1 16.4 -12.3 64.2 33 52 A E T 3 + 0 0 83 -6,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.757 67.0 65.9 -56.4 -30.1 18.7 -15.0 65.4 34 53 A H T 3 S+ 0 0 143 1,-0.2 2,-2.0 -3,-0.2 -1,-0.3 0.755 81.3 81.6 -69.3 -17.8 17.8 -17.3 62.5 35 54 A M <> + 0 0 51 -3,-2.1 4,-2.7 1,-0.2 -1,-0.2 -0.410 58.8 158.9 -83.3 67.3 19.3 -14.7 60.1 36 55 A V H > + 0 0 82 -2,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.894 67.3 46.9 -57.4 -50.3 22.8 -16.2 60.8 37 56 A D H > S+ 0 0 133 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.920 114.3 47.1 -66.8 -39.0 24.6 -14.9 57.7 38 57 A L H > S+ 0 0 21 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.900 112.0 52.1 -65.2 -42.6 23.2 -11.4 58.1 39 58 A K H X S+ 0 0 30 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.969 109.9 48.8 -55.3 -49.0 24.2 -11.6 61.8 40 59 A E H X S+ 0 0 89 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.902 112.2 48.1 -59.0 -42.5 27.7 -12.6 60.7 41 60 A K H X S+ 0 0 66 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.936 108.3 54.3 -67.6 -36.5 27.8 -9.7 58.2 42 61 A F H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.898 105.1 54.7 -62.7 -32.8 26.5 -7.3 61.0 43 62 A K H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.942 108.8 48.3 -66.5 -39.6 29.4 -8.4 63.2 44 63 A R H X S+ 0 0 149 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.910 111.8 49.0 -61.8 -45.4 31.9 -7.5 60.3 45 64 A I H X S+ 0 0 26 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.948 111.2 49.2 -62.3 -45.9 30.3 -4.1 59.8 46 65 A C H < S+ 0 0 9 -4,-2.5 5,-0.5 1,-0.3 3,-0.4 0.908 109.9 52.2 -62.2 -39.2 30.4 -3.3 63.6 47 66 A E H >< S+ 0 0 141 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.3 0.871 109.1 51.2 -62.9 -38.6 34.0 -4.3 63.7 48 67 A K H 3< S+ 0 0 128 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.741 90.9 79.5 -69.5 -23.2 34.8 -2.0 60.8 49 68 A T T 3< S- 0 0 10 -4,-1.4 -1,-0.2 -3,-0.4 244,-0.2 0.660 85.3-138.9 -61.0 -27.5 33.1 1.1 62.3 50 69 A A < + 0 0 49 -3,-0.7 2,-0.5 -4,-0.4 271,-0.1 0.879 58.7 135.4 63.9 38.2 36.0 2.1 64.7 51 70 A I - 0 0 13 -5,-0.5 -1,-0.3 1,-0.1 267,-0.2 -0.971 37.7-173.4-114.1 130.0 33.3 2.8 67.3 52 71 A K - 0 0 123 266,-2.8 -33,-2.2 -2,-0.5 -32,-0.5 0.850 67.2 -16.0 -89.0 -40.9 33.8 1.6 70.9 53 72 A K E -I 18 0B 36 265,-1.7 -1,-0.3 -35,-0.3 2,-0.3 -0.974 53.7-153.3-157.3 163.5 30.4 2.5 72.4 54 73 A R E -I 17 0B 6 -37,-1.5 -37,-2.3 -2,-0.3 2,-0.3 -0.986 18.5-130.3-138.0 146.0 27.3 4.6 71.8 55 74 A Y E -I 16 0B 45 148,-0.4 148,-2.5 265,-0.4 2,-0.4 -0.727 29.9-169.7 -96.0 132.4 24.8 6.1 74.3 56 75 A L - 0 0 12 -41,-2.4 -41,-0.3 -2,-0.3 123,-0.1 -0.980 29.0-163.4-131.9 129.1 21.2 5.3 73.3 57 76 A A S S+ 0 0 32 -2,-0.4 2,-0.4 -43,-0.1 -1,-0.1 0.784 75.4 93.1 -76.0 -25.6 17.9 6.7 74.7 58 77 A L - 0 0 11 -43,-0.1 2,-0.2 4,-0.1 -2,-0.0 -0.508 66.8-163.6 -67.3 124.1 16.2 3.7 73.0 59 78 A T > - 0 0 58 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.672 31.8-119.5-109.1 164.4 15.9 0.9 75.6 60 79 A E H > S+ 0 0 56 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.897 116.2 54.2 -62.2 -37.1 15.2 -2.8 75.4 61 80 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 106.9 51.2 -66.2 -43.5 12.1 -2.4 77.6 62 81 A Y H > S+ 0 0 45 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 110.4 49.4 -59.9 -38.5 10.8 0.3 75.2 63 82 A L H < S+ 0 0 4 -4,-2.0 7,-0.2 2,-0.2 -2,-0.2 0.908 110.0 49.8 -69.3 -34.4 11.4 -2.1 72.3 64 83 A Q H < S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.3 47.2 -73.4 -31.9 9.6 -4.9 74.0 65 84 A E H < S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 122.2 35.9 -76.8 -24.9 6.7 -2.5 74.8 66 85 A N S >< S+ 0 0 40 -4,-1.4 3,-1.7 -5,-0.2 -1,-0.3 -0.632 72.4 170.8-126.3 68.2 6.6 -1.3 71.1 67 86 A P G > + 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.702 65.9 73.2 -62.0 -22.4 7.5 -4.4 69.1 68 87 A T G > S+ 0 0 41 1,-0.3 3,-1.2 2,-0.2 6,-0.4 0.789 82.0 73.3 -68.6 -15.6 6.7 -2.9 65.7 69 88 A M G < S+ 0 0 1 -3,-1.7 117,-0.3 1,-0.3 -1,-0.3 0.744 100.1 45.5 -62.8 -25.0 9.9 -0.9 66.0 70 89 A C G < S+ 0 0 18 -3,-1.8 2,-0.6 -7,-0.2 -1,-0.3 0.486 93.7 88.0 -96.2 -6.2 11.8 -4.2 65.4 71 90 A E S X S- 0 0 104 -3,-1.2 3,-2.7 -4,-0.3 -41,-0.0 -0.851 92.8-109.0 -98.9 113.3 9.6 -5.4 62.5 72 91 A F T 3 S- 0 0 52 -2,-0.6 -2,-0.1 1,-0.3 113,-0.1 -0.146 95.0 -12.6 -54.8 117.0 11.1 -4.1 59.2 73 92 A M T 3 S+ 0 0 74 174,-0.3 -1,-0.3 1,-0.2 175,-0.1 0.553 92.1 143.4 64.9 14.8 8.6 -1.4 58.0 74 93 A A S < S- 0 0 16 -3,-2.7 2,-0.3 -6,-0.4 -1,-0.2 -0.431 71.2 -82.0 -68.1 157.7 5.8 -2.3 60.4 75 94 A P S S+ 0 0 66 0, 0.0 172,-0.3 0, 0.0 -1,-0.1 -0.507 75.5 137.8 -62.1 124.3 4.0 0.9 61.5 76 95 A S > + 0 0 2 170,-2.6 4,-2.3 -2,-0.3 171,-0.2 0.295 27.7 108.3-155.7 3.8 6.1 2.4 64.3 77 96 A L H > S+ 0 0 0 169,-2.4 4,-3.1 1,-0.2 5,-0.3 0.859 80.9 54.2 -56.9 -43.7 6.3 6.2 63.8 78 97 A N H > S+ 0 0 40 168,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.950 109.7 47.2 -61.8 -42.8 4.0 6.9 66.7 79 98 A A H > S+ 0 0 8 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 114.4 48.5 -61.7 -44.5 6.1 4.9 69.2 80 99 A R H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 3,-0.3 0.955 113.1 45.1 -58.3 -53.0 9.2 6.6 67.8 81 100 A Q H X S+ 0 0 3 -4,-3.1 4,-2.4 1,-0.2 5,-0.4 0.854 106.1 60.6 -61.1 -40.3 7.8 10.1 68.1 82 101 A D H X S+ 0 0 83 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.919 113.5 39.5 -60.8 -29.5 6.4 9.3 71.6 83 102 A L H X S+ 0 0 22 -4,-1.4 4,-2.2 -3,-0.3 3,-0.2 0.942 122.5 36.8 -75.6 -59.2 10.1 8.7 72.6 84 103 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -3,-0.2 0.775 102.7 68.9 -78.6 -21.6 11.9 11.5 70.7 85 104 A V H < S+ 0 0 37 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.1 0.905 118.2 24.6 -65.4 -33.9 9.3 14.3 71.0 86 105 A T H X S+ 0 0 95 -4,-0.5 4,-1.8 -5,-0.4 5,-0.2 0.863 123.1 55.8 -92.9 -35.6 10.1 14.6 74.7 87 106 A G H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.880 100.3 55.0 -64.9 -40.4 13.6 13.1 74.6 88 107 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.964 112.3 41.2 -63.2 -53.9 15.3 15.4 72.2 89 108 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.858 115.7 51.0 -62.2 -37.9 14.4 18.6 74.0 90 109 A M H X S+ 0 0 69 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.951 112.2 46.3 -65.2 -47.7 15.2 17.1 77.4 91 110 A L H X S+ 0 0 9 -4,-2.6 4,-1.6 -5,-0.2 5,-0.2 0.923 112.6 51.0 -60.8 -37.9 18.6 15.8 76.2 92 111 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.910 105.9 55.9 -67.5 -35.7 19.3 19.2 74.6 93 112 A K H X S+ 0 0 55 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.943 104.3 53.7 -63.4 -38.4 18.4 20.9 77.9 94 113 A E H X S+ 0 0 78 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.898 112.4 43.3 -65.4 -36.5 21.1 18.8 79.7 95 114 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 112,-0.3 0.918 113.0 53.1 -70.1 -42.3 23.7 20.0 77.2 96 115 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.864 103.6 55.3 -62.5 -39.9 22.5 23.6 77.4 97 116 A V H X S+ 0 0 56 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.922 109.4 48.6 -60.1 -41.9 22.7 23.8 81.2 98 117 A K H X S+ 0 0 113 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.891 111.4 48.4 -65.1 -43.3 26.3 22.8 81.0 99 118 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 113.8 46.8 -64.0 -44.1 27.2 25.3 78.2 100 119 A I H X S+ 0 0 15 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.863 109.8 54.1 -69.2 -30.8 25.4 28.1 80.2 101 120 A D H < S+ 0 0 117 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.905 110.5 46.0 -70.5 -44.9 27.2 27.1 83.4 102 121 A E H < S+ 0 0 58 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.931 113.5 49.9 -56.7 -49.0 30.6 27.3 81.7 103 122 A W H < S- 0 0 9 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 89.5-163.6 -57.2 -57.9 29.6 30.6 80.2 104 123 A G < + 0 0 60 -4,-2.7 -1,-0.1 1,-0.2 -3,-0.1 0.153 43.7 116.8 94.5 -10.4 28.5 31.9 83.6 105 124 A L S S- 0 0 29 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.358 79.1 -76.4 -84.9 163.2 26.4 34.9 82.5 106 125 A P > - 0 0 68 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.296 30.6-134.6 -60.6 136.7 22.7 35.1 83.1 107 126 A K G > S+ 0 0 91 1,-0.3 3,-2.0 2,-0.2 30,-0.4 0.781 102.6 73.7 -63.9 -21.5 20.4 33.0 80.8 108 127 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.712 86.5 64.4 -65.8 -16.8 18.2 36.1 80.4 109 128 A K G < S+ 0 0 114 -3,-2.0 2,-0.6 61,-0.0 -1,-0.3 0.376 73.1 106.8 -85.5 -5.5 20.9 37.5 78.2 110 129 A I < + 0 0 2 -3,-2.0 27,-0.4 1,-0.1 62,-0.2 -0.791 43.4 175.0 -71.6 118.5 20.4 34.7 75.6 111 130 A T + 0 0 52 60,-2.1 30,-2.5 -2,-0.6 2,-0.3 0.628 59.2 32.7-102.6 -19.8 18.7 36.5 72.7 112 131 A H E -cd 141 172A 6 59,-1.4 61,-2.7 28,-0.2 2,-0.4 -0.984 61.4-161.4-140.6 143.1 18.5 33.8 70.0 113 132 A L E -cd 142 173A 0 28,-2.8 30,-1.8 -2,-0.3 2,-0.6 -0.995 1.1-167.7-129.5 123.1 18.0 30.1 70.2 114 133 A I E -cd 143 174A 0 59,-2.9 61,-3.3 -2,-0.4 2,-0.5 -0.970 10.0-172.9-110.6 114.9 18.9 27.7 67.3 115 134 A F E -cd 144 175A 0 28,-2.3 30,-3.3 -2,-0.6 2,-0.4 -0.953 6.4-178.0-110.8 129.5 17.5 24.2 68.0 116 135 A C E +cd 145 176A 0 59,-3.3 61,-2.3 -2,-0.5 2,-0.3 -0.979 10.9 147.3-132.0 131.4 18.5 21.5 65.5 117 136 A T - 0 0 0 28,-2.3 31,-2.0 -2,-0.4 61,-0.2 -0.971 37.2-155.3-150.9 170.5 17.6 17.9 65.2 118 137 A T S S+ 0 0 4 59,-0.4 2,-0.6 -2,-0.3 60,-0.1 0.181 76.1 87.5-126.8 6.4 17.0 15.0 62.8 119 138 A A S S- 0 0 3 58,-0.4 -31,-0.1 1,-0.1 -1,-0.1 -0.903 92.7 -34.4-122.7 106.5 14.8 13.0 65.1 120 139 A G - 0 0 3 -2,-0.6 27,-0.4 -3,-0.1 2,-0.3 0.157 54.3-131.4 75.7 167.7 11.0 13.6 65.2 121 140 A V + 0 0 1 500,-0.2 500,-0.6 25,-0.1 2,-0.3 -0.959 24.6 166.4-148.3 157.8 8.9 16.8 64.8 122 141 A D E -J 620 0C 16 -2,-0.3 498,-0.2 402,-0.1 4,-0.2 -0.975 35.2 -93.6-164.8 164.4 6.1 18.3 66.7 123 142 A M E S+J 619 0C 6 496,-1.5 496,-2.1 -2,-0.3 2,-0.2 -0.993 115.5 35.6-133.9 123.4 4.2 21.6 67.1 124 143 A P S S- 0 0 7 0, 0.0 615,-0.1 0, 0.0 495,-0.1 0.701 113.1-131.9 -53.7 153.1 5.1 23.6 69.2 125 144 A G >> - 0 0 10 -2,-0.2 4,-1.7 613,-0.1 3,-0.7 -0.203 21.3 -89.7 -84.8-177.9 8.5 22.4 68.3 126 145 A A H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.761 123.3 63.7 -59.2 -24.3 11.5 21.2 70.3 127 146 A D H 3> S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 103.9 46.1 -65.9 -42.2 12.7 24.9 70.4 128 147 A Y H <> S+ 0 0 17 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.907 111.3 51.6 -65.8 -43.7 9.6 25.9 72.4 129 148 A Q H X S+ 0 0 39 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.895 108.8 52.5 -59.9 -40.1 10.0 22.9 74.8 130 149 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 6,-0.3 0.867 106.1 52.3 -65.2 -39.3 13.6 24.0 75.4 131 150 A V H X>S+ 0 0 9 -4,-1.7 5,-1.7 2,-0.2 4,-1.6 0.920 113.4 44.9 -61.9 -43.8 12.7 27.6 76.3 132 151 A K H <5S+ 0 0 121 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.946 114.7 48.0 -64.7 -50.4 10.2 26.2 78.8 133 152 A L H <5S+ 0 0 69 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.833 121.2 34.9 -59.0 -42.9 12.6 23.7 80.2 134 153 A L H <5S- 0 0 18 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.609 104.3-122.7 -90.9 -19.6 15.5 26.1 80.6 135 154 A G T <5 + 0 0 41 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.853 48.4 168.2 73.4 41.0 13.5 29.2 81.5 136 155 A L < - 0 0 9 -5,-1.7 -1,-0.1 -6,-0.3 -28,-0.1 -0.372 49.6 -72.4 -73.8 166.6 14.8 31.4 78.6 137 156 A S > - 0 0 43 -30,-0.4 3,-1.9 -27,-0.4 -1,-0.1 -0.284 36.1-130.8 -57.0 137.2 13.1 34.7 77.9 138 157 A P T 3 S+ 0 0 71 0, 0.0 471,-1.6 0, 0.0 -1,-0.2 0.695 110.6 55.7 -59.8 -24.8 9.6 34.2 76.3 139 158 A S T 3 S+ 0 0 34 469,-0.3 468,-0.4 2,-0.1 2,-0.1 0.090 74.8 132.7 -93.8 12.5 10.8 36.7 73.7 140 159 A V < - 0 0 2 -3,-1.9 2,-0.6 1,-0.1 -28,-0.2 -0.484 63.4-117.5 -65.0 141.0 14.0 34.7 72.7 141 160 A K E -c 112 0A 32 -30,-2.5 -28,-2.8 -2,-0.1 2,-0.3 -0.722 36.7-154.4 -87.5 121.9 14.2 34.6 68.9 142 161 A R E -c 113 0A 11 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.703 24.0-170.1-109.4 151.0 14.0 31.0 67.7 143 162 A Y E -c 114 0A 4 -30,-1.8 -28,-2.3 -2,-0.3 2,-0.9 -0.937 15.5-160.7-135.9 97.0 15.2 29.0 64.7 144 163 A M E -c 115 0A 10 -2,-0.4 2,-0.7 -30,-0.2 379,-0.3 -0.858 6.5-171.4 -95.1 107.1 13.7 25.5 64.7 145 164 A L E +c 116 0A 4 -30,-3.3 -28,-2.3 -2,-0.9 3,-0.3 -0.878 10.7 177.6-102.2 102.3 15.7 23.3 62.4 146 165 A Y + 0 0 6 -2,-0.7 -28,-0.2 375,-0.3 377,-0.2 -0.725 60.2 11.2-105.8 152.6 14.0 19.9 61.9 147 166 A Q S S+ 0 0 7 -27,-0.4 -29,-0.3 -2,-0.3 -1,-0.2 0.813 80.9 146.3 50.3 43.0 15.1 16.9 59.7 148 167 A Q - 0 0 31 -31,-2.0 3,-0.4 -3,-0.3 -30,-0.2 0.895 32.1-165.0 -79.6 -48.4 18.5 18.5 59.2 149 168 A G > - 0 0 1 1,-0.2 3,-1.9 2,-0.1 4,-0.2 -0.280 43.0 -32.7 89.2-176.7 20.9 15.5 59.1 150 169 A X T 3 S+ 0 0 27 1,-0.3 209,-0.8 2,-0.1 3,-0.2 0.550 127.9 54.5 -65.4 -9.1 24.7 15.0 59.3 151 170 A A T >> S+ 0 0 8 -3,-0.4 4,-1.4 207,-0.3 3,-1.1 0.588 83.6 91.1 -99.8 -1.0 25.8 18.3 57.7 152 171 A A H <> + 0 0 1 -3,-1.9 4,-2.5 1,-0.3 5,-0.2 0.636 67.0 70.7 -83.8 -2.7 23.8 20.4 60.1 153 172 A G H 3> S+ 0 0 0 -3,-0.2 4,-1.1 -4,-0.2 -1,-0.3 0.905 106.3 45.0 -72.8 -29.5 26.5 20.9 62.8 154 173 A G H <> S+ 0 0 0 -3,-1.1 4,-2.4 1,-0.2 5,-0.2 0.948 110.0 56.9 -72.3 -40.7 28.0 23.1 60.0 155 174 A T H X S+ 0 0 9 -4,-1.4 4,-2.9 1,-0.2 5,-0.3 0.920 103.4 50.3 -52.3 -55.6 24.6 24.7 59.4 156 175 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.917 111.6 49.0 -57.4 -38.3 24.0 25.9 63.0 157 176 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.2 -1,-0.2 0.900 110.5 51.2 -67.6 -40.7 27.4 27.6 63.0 158 177 A R H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.914 115.6 41.8 -60.5 -44.8 26.6 29.2 59.6 159 178 A L H X S+ 0 0 2 -4,-2.9 4,-2.1 -5,-0.2 5,-0.2 0.943 112.7 51.7 -68.3 -45.5 23.4 30.5 61.0 160 179 A A H X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.3 5,-0.4 0.930 103.8 60.7 -61.2 -32.5 24.6 31.6 64.4 161 180 A K H X S+ 0 0 19 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.962 108.2 41.8 -59.6 -44.6 27.4 33.6 62.8 162 181 A D H X S+ 0 0 4 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.927 115.8 49.4 -69.9 -42.3 25.0 35.9 60.9 163 182 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.981 115.1 43.7 -63.6 -42.9 22.6 36.3 63.9 164 183 A A H < S+ 0 0 3 -4,-3.3 48,-0.4 -5,-0.2 6,-0.3 0.929 116.7 46.0 -66.1 -43.7 25.5 37.1 66.3 165 184 A E H < S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.865 115.0 45.6 -73.3 -25.4 27.2 39.5 63.9 166 185 A N H < S+ 0 0 42 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.2 0.630 106.3 63.1 -91.5 -11.1 24.1 41.4 62.8 167 186 A N S >< S- 0 0 36 -4,-1.3 3,-2.2 -3,-0.3 45,-0.2 -0.938 82.7-136.0-120.9 96.9 22.6 41.9 66.3 168 187 A K T 3 S+ 0 0 214 -2,-0.6 3,-0.1 1,-0.3 -3,-0.1 -0.422 89.5 8.0 -54.9 125.8 24.7 44.0 68.6 169 188 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 43,-0.2 -58,-0.1 0.274 95.4 146.7 84.9 -1.7 24.9 42.5 72.1 170 189 A S < - 0 0 4 -3,-2.2 42,-0.5 -6,-0.3 2,-0.4 -0.204 32.6-163.3 -74.1 151.6 23.2 39.3 71.0 171 190 A R - 0 0 9 -62,-0.2 -60,-2.1 40,-0.1 -59,-1.4 -0.962 8.9-154.6-133.6 124.7 24.1 35.9 72.4 172 191 A V E -dE 112 210A 0 38,-3.3 38,-2.7 -2,-0.4 2,-0.5 -0.838 5.0-155.8-106.1 130.9 23.0 32.8 70.6 173 192 A L E -dE 113 209A 0 -61,-2.7 -59,-2.9 -2,-0.5 2,-0.5 -0.875 13.1-164.9-101.0 124.7 22.4 29.5 72.2 174 193 A I E -dE 114 208A 0 34,-2.5 34,-2.2 -2,-0.5 2,-0.4 -0.929 6.6-176.0-107.2 128.1 22.8 26.7 69.7 175 194 A V E -dE 115 207A 0 -61,-3.3 -59,-3.3 -2,-0.5 2,-0.6 -0.946 8.8-179.1-129.0 120.8 21.4 23.3 70.6 176 195 A C E +dE 116 206A 0 30,-2.5 30,-2.2 -2,-0.4 2,-0.5 -0.938 12.3 174.3-107.3 124.8 21.8 20.1 68.4 177 196 A S E - E 0 205A 0 -61,-2.3 2,-0.5 -2,-0.6 -58,-0.4 -0.968 5.4-176.9-140.0 120.4 20.2 17.1 69.9 178 197 A E E - E 0 204A 1 26,-2.9 26,-1.9 -2,-0.5 2,-0.5 -0.948 11.9-179.9-125.1 128.6 19.9 13.7 68.3 179 198 A I > - 0 0 4 -2,-0.5 3,-1.0 24,-0.2 24,-0.1 -0.968 17.1-154.2-123.8 119.4 18.2 10.5 69.4 180 199 A T G > S+ 0 0 12 -2,-0.5 3,-1.8 1,-0.3 4,-0.5 0.395 71.8 98.9 -81.1 6.9 18.6 7.6 66.9 181 200 A A G > S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.787 74.5 67.2 -57.2 -30.5 15.4 5.8 67.9 182 201 A I G < S+ 0 0 3 -3,-1.0 67,-2.6 1,-0.2 -1,-0.3 0.706 109.4 35.6 -65.4 -24.2 13.7 7.5 64.9 183 202 A L G < S+ 0 0 7 -3,-1.8 -1,-0.2 65,-0.2 -2,-0.2 0.312 83.5 124.2-115.6 10.1 16.0 5.4 62.6 184 203 A F < + 0 0 9 -3,-0.9 2,-0.3 -4,-0.5 65,-0.1 -0.502 34.9 170.2 -67.7 138.4 16.3 2.1 64.4 185 204 A H - 0 0 2 -2,-0.2 -115,-0.2 9,-0.2 3,-0.1 -0.996 33.9-113.6-150.0 144.9 15.2 -0.9 62.3 186 205 A G - 0 0 2 -117,-0.3 2,-0.1 -2,-0.3 -115,-0.1 -0.081 53.6 -80.5 -70.7 166.3 15.3 -4.7 62.5 187 206 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 -115,-0.3 -0.493 47.5 178.2 -77.4 145.8 17.5 -6.5 59.9 188 207 A N > - 0 0 44 3,-0.3 3,-2.1 -2,-0.1 7,-0.2 -0.897 29.6-139.5-154.2 126.7 16.3 -7.3 56.4 189 208 A E T 3 S+ 0 0 137 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.733 102.9 52.6 -48.0 -39.4 18.2 -9.0 53.5 190 209 A N T 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.400 107.6 53.9 -87.5 2.4 16.9 -6.6 50.8 191 210 A H <> + 0 0 75 -3,-2.1 4,-1.4 1,-0.1 -3,-0.3 -0.554 56.8 155.3-136.8 73.1 18.1 -3.5 52.7 192 211 A L H > S+ 0 0 71 -3,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.761 75.0 56.8 -72.6 -25.9 21.7 -3.9 53.6 193 212 A D H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.852 105.0 52.5 -72.5 -37.0 22.4 -0.2 53.8 194 213 A S H > S+ 0 0 4 57,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.889 109.4 50.5 -64.2 -32.5 19.7 0.0 56.5 195 214 A L H >< S+ 0 0 1 -4,-1.4 3,-1.2 -7,-0.2 4,-0.5 0.964 108.5 50.7 -69.4 -42.7 21.6 -2.8 58.2 196 215 A V H >< S+ 0 0 45 -4,-2.4 3,-2.0 1,-0.3 4,-0.3 0.916 104.2 60.1 -58.9 -43.4 24.8 -0.9 58.0 197 216 A A H >X S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.3 4,-0.7 0.765 90.5 67.8 -59.4 -22.8 23.0 2.1 59.5 198 217 A Q T << S+ 0 0 5 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.675 104.6 46.0 -71.4 -13.7 22.2 0.2 62.7 199 218 A A T <4 S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.533 105.4 58.9-101.0 -8.3 25.9 0.2 63.5 200 219 A L T <4 S+ 0 0 21 -3,-1.2 122,-2.6 -4,-0.3 2,-0.4 0.710 85.8 69.0 -94.7 -35.1 26.8 3.9 62.8 201 220 A F B < +k 322 0D 10 -4,-0.7 2,-0.2 120,-0.2 122,-0.2 -0.860 45.5 178.0-105.9 146.8 24.8 6.3 64.9 202 221 A G - 0 0 0 120,-1.4 2,-0.3 -2,-0.4 -146,-0.2 -0.684 31.0 -99.4-133.6 175.0 24.7 7.2 68.6 203 222 A D + 0 0 0 -148,-2.5 -148,-0.4 -2,-0.2 2,-0.3 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