==== 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 TRANSFERASE 29-AUG-00 1FP2 . COMPND 2 MOLECULE: ISOFLAVONE O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR C.ZUBIETA,R.A.DIXON,J.P.NOEL . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 11 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 3 2 1 2 2 2 1 0 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 2 0 1 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 . 1 1 0 0 0 0 1 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 8 A R 0 0 243 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.0 -16.6 -8.6 54.8 2 9 A K - 0 0 136 1,-0.4 2,-0.0 0, 0.0 0, 0.0 -0.285 360.0 -75.7-128.6-154.9 -15.3 -12.1 53.9 3 10 A P S > S- 0 0 81 0, 0.0 3,-1.6 0, 0.0 -1,-0.4 0.181 86.9 -37.5 -92.8-143.7 -11.8 -13.8 54.1 4 11 A S T 3> S+ 0 0 96 1,-0.3 4,-0.8 2,-0.2 3,-0.1 0.230 114.4 92.7 -69.6 19.3 -8.8 -13.3 51.7 5 12 A E H 3> S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.542 73.4 73.2 -84.7 -6.4 -11.3 -13.0 48.8 6 13 A I H <> S+ 0 0 59 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.908 91.5 51.7 -69.2 -44.5 -11.0 -9.3 49.7 7 14 A F H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 109.9 50.6 -60.1 -40.0 -7.5 -9.1 48.2 8 15 A K H X S+ 0 0 162 -4,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.912 111.3 46.6 -64.3 -40.6 -8.9 -10.7 45.0 9 16 A A H X S+ 0 0 55 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.836 109.3 55.8 -68.8 -34.2 -11.7 -8.1 44.8 10 17 A Q H X S+ 0 0 80 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.917 105.0 52.1 -64.7 -42.2 -9.2 -5.4 45.5 11 18 A A H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.946 110.9 48.0 -60.0 -41.7 -7.2 -6.5 42.4 12 19 A L H X S+ 0 0 100 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.937 111.0 49.8 -62.2 -48.7 -10.3 -6.3 40.3 13 20 A L H X S+ 0 0 103 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.945 111.9 48.8 -57.2 -46.8 -11.2 -2.9 41.6 14 21 A Y H X S+ 0 0 114 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 104.6 58.5 -62.2 -37.2 -7.6 -1.6 40.9 15 22 A K H < S+ 0 0 154 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.906 113.9 39.5 -57.7 -40.0 -7.7 -3.1 37.4 16 23 A H H >< S+ 0 0 125 -4,-1.7 3,-0.9 -3,-0.3 4,-0.3 0.859 109.2 56.3 -82.7 -34.4 -10.7 -0.9 36.7 17 24 A I H 3< S+ 0 0 84 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.946 119.1 35.4 -58.8 -41.0 -9.7 2.2 38.5 18 25 A Y T >< S+ 0 0 123 -4,-2.4 3,-2.0 1,-0.2 4,-0.4 0.225 81.2 111.8 -99.6 12.8 -6.6 2.3 36.3 19 26 A A T X> + 0 0 43 -3,-0.9 3,-1.9 1,-0.3 4,-0.9 0.805 65.4 72.6 -55.3 -28.9 -8.0 0.9 33.1 20 27 A F H 3> S+ 0 0 121 -3,-0.4 4,-2.6 -4,-0.3 -1,-0.3 0.759 84.6 68.9 -59.0 -25.6 -7.5 4.4 31.4 21 28 A I H <> S+ 0 0 66 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.818 91.5 58.8 -63.8 -28.2 -3.8 3.6 31.4 22 29 A D H <> S+ 0 0 65 -3,-1.9 4,-1.4 -4,-0.4 -1,-0.2 0.940 111.4 41.8 -62.9 -42.9 -4.5 0.9 28.8 23 30 A S H X S+ 0 0 51 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.938 116.6 47.2 -70.4 -41.7 -5.9 3.7 26.6 24 31 A M H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.843 110.0 51.5 -74.2 -31.3 -3.2 6.2 27.4 25 32 A S H X S+ 0 0 5 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.878 110.7 49.2 -71.7 -31.8 -0.3 3.8 26.9 26 33 A L H X S+ 0 0 33 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.933 110.7 50.5 -70.6 -45.5 -1.7 2.8 23.4 27 34 A K H X S+ 0 0 33 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.912 109.0 53.3 -55.5 -42.6 -2.0 6.5 22.5 28 35 A W H X S+ 0 0 52 -4,-2.2 4,-2.4 1,-0.2 6,-0.2 0.922 105.9 51.6 -61.4 -44.7 1.6 7.0 23.6 29 36 A A H <>S+ 0 0 2 -4,-2.2 5,-2.1 1,-0.2 4,-0.3 0.926 113.1 44.9 -60.4 -41.2 2.9 4.2 21.4 30 37 A V H ><5S+ 0 0 17 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.944 113.2 50.0 -67.6 -44.2 1.1 5.7 18.3 31 38 A E H 3<5S+ 0 0 115 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.841 109.9 50.6 -65.4 -32.8 2.3 9.3 19.2 32 39 A M T 3<5S- 0 0 55 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.517 110.2-128.8 -78.9 -6.2 5.8 8.1 19.6 33 40 A N T <>5 + 0 0 59 -3,-1.6 4,-2.2 -4,-0.3 -3,-0.2 0.733 56.1 149.8 65.7 30.3 5.5 6.4 16.1 34 41 A I H >< + 0 0 0 -5,-2.1 4,-2.6 -6,-0.2 5,-0.2 0.912 62.1 54.4 -64.1 -43.6 6.7 3.1 17.5 35 42 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.945 113.3 44.2 -56.7 -45.6 4.8 0.7 15.2 36 43 A N H > S+ 0 0 13 60,-0.2 4,-3.1 1,-0.2 5,-0.2 0.901 109.8 55.3 -67.9 -36.9 6.2 2.4 12.1 37 44 A I H X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.923 111.5 45.1 -60.3 -43.6 9.7 2.6 13.6 38 45 A I H X>S+ 0 0 6 -4,-2.6 4,-1.2 2,-0.2 5,-0.5 0.936 112.4 50.0 -67.0 -43.0 9.6 -1.1 14.1 39 46 A Q H ><5S+ 0 0 98 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.928 112.5 48.0 -57.2 -45.6 8.2 -1.8 10.6 40 47 A N H 3<5S+ 0 0 133 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 104.0 61.4 -67.4 -29.7 10.9 0.4 9.0 41 48 A H H 3<5S- 0 0 56 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.815 96.9-144.5 -66.0 -29.5 13.6 -1.4 11.0 42 49 A G T <<5S+ 0 0 69 -4,-1.2 -3,-0.1 -3,-0.7 -2,-0.1 0.394 71.4 44.3 79.8 -0.3 12.6 -4.7 9.3 43 50 A K S -A 86 0A 6 -2,-0.4 4,-2.8 40,-0.3 40,-0.2 -0.355 24.3-117.2 -71.8 154.6 16.4 -3.6 20.6 47 54 A L H > S+ 0 0 32 38,-1.9 4,-2.6 1,-0.2 5,-0.3 0.925 116.4 52.4 -58.2 -39.7 15.6 -1.3 23.5 48 55 A S H > S+ 0 0 55 37,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 111.0 44.9 -66.7 -39.2 18.9 0.6 22.9 49 56 A N H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 113.1 53.3 -67.9 -38.7 18.1 1.1 19.2 50 57 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.952 111.5 42.1 -61.7 -51.5 14.6 2.2 20.0 51 58 A V H X>S+ 0 0 14 -4,-2.6 4,-1.4 1,-0.2 5,-1.0 0.792 112.1 57.5 -70.4 -20.2 15.5 4.8 22.5 52 59 A S H <5S+ 0 0 66 -4,-1.5 3,-0.2 -5,-0.3 -2,-0.2 0.958 110.1 43.1 -69.6 -50.2 18.3 5.9 20.1 53 60 A I H <5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.4 48.0 -60.0 -41.9 15.8 6.6 17.4 54 61 A L H <5S- 0 0 33 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.757 95.4-144.9 -70.8 -23.8 13.4 8.2 19.8 55 62 A Q T <5 + 0 0 151 -4,-1.4 -3,-0.2 -3,-0.2 -4,-0.1 0.891 35.4 166.1 58.8 39.3 16.1 10.4 21.3 56 63 A V < - 0 0 32 -5,-1.0 -1,-0.2 1,-0.1 5,-0.1 -0.559 45.2 -94.2 -79.4 154.2 14.6 10.3 24.8 57 64 A P > - 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.334 32.2-115.9 -67.3 150.0 16.7 11.5 27.7 58 65 A S G >> S+ 0 0 102 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.835 113.8 65.2 -58.2 -31.7 18.7 8.7 29.4 59 66 A S G 34 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.611 107.3 42.6 -64.2 -16.4 16.7 9.4 32.7 60 67 A K G <> S+ 0 0 113 -3,-2.0 4,-2.0 2,-0.1 -1,-0.3 0.352 83.9 94.5-112.4 3.4 13.5 8.2 30.8 61 68 A I H <> S+ 0 0 53 -3,-1.2 4,-2.3 -4,-0.5 5,-0.2 0.926 86.1 52.1 -58.8 -45.7 14.9 5.2 29.0 62 69 A G H X S+ 0 0 25 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.874 107.3 53.9 -59.9 -34.1 13.7 2.9 31.9 63 70 A N H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 105.4 52.0 -68.3 -35.2 10.3 4.4 31.5 64 71 A V H X S+ 0 0 7 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.933 111.1 48.7 -63.4 -46.3 10.2 3.6 27.8 65 72 A R H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 110.1 50.8 -59.5 -42.0 11.1 -0.0 28.7 66 73 A R H X S+ 0 0 153 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.920 112.8 45.9 -64.6 -40.6 8.4 -0.2 31.4 67 74 A L H X S+ 0 0 54 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.891 111.4 52.3 -67.2 -40.8 5.8 1.1 28.9 68 75 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.884 109.7 48.1 -62.3 -41.5 6.9 -1.2 26.2 69 76 A R H X S+ 0 0 108 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.892 111.2 51.3 -67.3 -34.8 6.6 -4.3 28.4 70 77 A Y H X S+ 0 0 93 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.935 113.0 45.2 -67.2 -46.5 3.2 -3.2 29.6 71 78 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.5 0.859 111.4 54.1 -64.2 -35.2 2.0 -2.8 25.9 72 79 A A H ><5S+ 0 0 14 -4,-2.1 3,-1.9 4,-0.2 5,-0.3 0.952 104.9 51.7 -65.5 -44.9 3.6 -6.1 25.1 73 80 A H H 3<5S+ 0 0 169 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.863 106.9 56.5 -59.8 -32.9 1.8 -8.0 27.8 74 81 A N T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.616 126.1-102.7 -74.2 -11.4 -1.4 -6.5 26.3 75 82 A G T < 5S+ 0 0 34 -3,-1.9 17,-0.4 -4,-0.5 18,-0.3 0.538 92.6 110.1 107.3 5.3 -0.6 -7.9 23.0 76 83 A F S - 0 0 29 -14,-0.5 4,-1.9 -13,-0.1 5,-0.2 -0.744 38.6 -93.0-126.2 175.1 2.0 -8.3 16.5 91 98 A V H > S+ 0 0 113 -2,-0.2 4,-0.7 1,-0.2 -15,-0.1 0.898 127.1 53.5 -61.2 -35.0 -1.1 -8.5 14.3 92 99 A A H >4 S+ 0 0 36 -17,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.900 111.0 42.6 -67.3 -41.6 -2.7 -5.9 16.6 93 100 A S H >4 S+ 0 0 0 -18,-0.3 3,-1.8 1,-0.2 4,-0.2 0.730 102.4 68.4 -80.1 -14.3 0.2 -3.4 16.2 94 101 A E H >< S+ 0 0 94 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.799 89.6 65.8 -68.1 -24.1 0.4 -4.1 12.5 95 102 A L T << S+ 0 0 64 -4,-0.7 9,-3.0 -3,-0.6 10,-0.6 0.542 99.1 53.5 -69.3 -7.0 -3.1 -2.4 12.4 96 103 A L T < S+ 0 0 14 -3,-1.8 2,-0.4 7,-0.2 -1,-0.2 0.402 83.7 106.9-107.9 2.0 -1.1 0.8 13.5 97 104 A V S X S- 0 0 8 -3,-1.2 3,-1.7 -4,-0.2 8,-0.1 -0.686 74.2-117.0 -89.7 126.2 1.4 0.8 10.7 98 105 A R T 3 S+ 0 0 188 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.262 96.4 13.8 -58.5 143.1 1.0 3.4 8.0 99 106 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.625 90.9 135.7 67.8 5.5 0.3 2.2 4.5 100 107 A S S < S- 0 0 40 -3,-1.7 3,-0.3 -6,-0.1 -1,-0.2 -0.408 75.7 -99.3 -74.6 167.0 -0.4 -1.2 5.9 101 108 A D S S+ 0 0 166 1,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.923 113.4 22.1 -54.8 -51.4 -3.6 -2.6 4.3 102 109 A L S S- 0 0 44 -8,-0.1 2,-0.6 64,-0.1 -1,-0.3 -0.954 77.0-178.7-121.9 109.8 -5.9 -1.7 7.2 103 110 A C + 0 0 27 -2,-0.5 -7,-0.2 60,-0.4 -8,-0.1 -0.930 12.7 172.2-116.2 114.5 -4.5 1.1 9.4 104 111 A L >> + 0 0 37 -9,-3.0 4,-1.5 -2,-0.6 3,-1.2 0.249 47.2 109.4-104.0 13.5 -6.6 2.2 12.4 105 112 A A H 3> S+ 0 0 12 -10,-0.6 4,-2.1 1,-0.3 5,-0.2 0.897 75.7 59.3 -58.7 -36.3 -4.0 4.5 14.0 106 113 A P H 3> S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.829 101.9 54.3 -63.1 -24.5 -6.2 7.5 13.1 107 114 A M H <> S+ 0 0 61 -3,-1.2 4,-2.2 2,-0.2 5,-0.3 0.901 106.1 51.9 -71.1 -41.6 -9.0 6.0 15.1 108 115 A V H X S+ 0 0 20 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.954 113.6 44.5 -59.4 -46.4 -6.8 5.8 18.2 109 116 A E H < S+ 0 0 91 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.861 113.9 48.3 -69.2 -39.1 -5.8 9.4 17.9 110 117 A C H >< S+ 0 0 13 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.964 114.9 42.5 -63.4 -54.9 -9.3 10.7 17.2 111 118 A V H 3< S+ 0 0 74 -4,-2.2 6,-0.2 1,-0.3 -2,-0.2 0.866 112.2 54.9 -61.4 -38.0 -11.1 8.9 20.0 112 119 A L T 3< S+ 0 0 19 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 0.188 70.8 134.1 -89.3 19.7 -8.3 9.6 22.6 113 120 A D <>> - 0 0 34 -3,-1.3 4,-2.3 1,-0.1 5,-0.5 -0.430 65.0-123.0 -56.4 139.0 -8.3 13.4 22.1 114 121 A P H >5S+ 0 0 88 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.876 107.0 46.3 -60.8 -36.0 -8.3 14.8 25.6 115 122 A T H >5S+ 0 0 70 2,-0.2 4,-0.8 3,-0.2 -3,-0.0 0.934 117.0 42.1 -73.7 -44.5 -11.5 16.8 25.2 116 123 A L H >45S+ 0 0 13 2,-0.2 3,-1.0 1,-0.2 4,-0.3 0.975 122.5 36.8 -67.7 -52.6 -13.5 14.1 23.6 117 124 A S H ><5S+ 0 0 38 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.874 111.9 61.7 -68.9 -32.4 -12.4 11.2 25.8 118 125 A G H >< + 0 0 84 -3,-2.1 4,-2.4 -4,-0.2 -1,-0.2 0.039 62.1 120.7-104.5 27.8 -19.3 13.8 33.0 123 130 A L H <> S+ 0 0 74 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.909 76.7 54.7 -57.1 -40.2 -21.5 10.7 32.7 124 131 A K H > S+ 0 0 161 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.956 109.0 44.7 -60.0 -53.4 -23.3 11.8 35.9 125 132 A K H >4 S+ 0 0 114 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.947 116.1 49.8 -55.6 -42.7 -24.3 15.3 34.6 126 133 A W H >< S+ 0 0 48 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.869 102.2 58.0 -65.3 -38.8 -25.3 13.6 31.3 127 134 A I H 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.9 52.2 -67.0 -19.1 -27.5 10.9 32.9 128 135 A Y T << S+ 0 0 181 -4,-1.1 2,-0.5 -3,-0.8 -1,-0.3 0.460 88.3 98.1 -92.6 -2.4 -29.5 13.8 34.4 129 136 A E < - 0 0 77 -3,-1.7 8,-0.0 -4,-0.3 5,-0.0 -0.738 61.4-154.9 -88.7 128.4 -30.0 15.6 31.2 130 137 A E S S+ 0 0 181 -2,-0.5 -1,-0.2 1,-0.1 -4,-0.0 0.893 88.5 3.0 -66.3 -39.7 -33.4 15.0 29.5 131 138 A D S S+ 0 0 128 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.740 97.5 103.3-118.8 -33.8 -32.1 15.8 26.0 132 139 A L - 0 0 78 4,-0.1 2,-0.2 1,-0.1 -3,-0.1 -0.188 60.0-133.5 -61.1 146.7 -28.4 16.6 25.8 133 140 A T > - 0 0 30 173,-0.1 4,-1.7 1,-0.1 173,-0.2 -0.484 33.6-101.8 -85.1 167.8 -25.9 14.0 24.4 134 141 A L H > S+ 0 0 0 171,-2.2 4,-1.6 1,-0.2 3,-0.3 0.927 126.5 47.2 -60.7 -46.5 -22.7 13.5 26.4 135 142 A F H > S+ 0 0 14 171,-2.1 4,-3.1 170,-0.3 5,-0.4 0.871 106.8 58.9 -62.1 -31.9 -20.8 15.6 23.9 136 143 A G H > S+ 0 0 9 170,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.867 105.4 50.0 -62.9 -36.0 -23.5 18.2 24.1 137 144 A V H < S+ 0 0 23 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.890 121.3 32.1 -66.1 -41.5 -22.9 18.5 27.8 138 145 A T H < S+ 0 0 45 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.1 0.788 121.5 42.9 -93.7 -29.4 -19.1 18.9 27.5 139 146 A L H < S- 0 0 31 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.1 0.638 96.5-127.9 -94.0 -17.3 -18.6 20.8 24.2 140 147 A G S < S+ 0 0 69 -4,-0.9 2,-0.3 -5,-0.4 -4,-0.1 0.577 83.5 48.7 84.6 2.6 -21.3 23.3 24.5 141 148 A S S S- 0 0 36 -6,-0.4 -2,-0.3 0, 0.0 -1,-0.2 -0.944 100.7 -74.8-159.0 171.8 -22.9 22.6 21.2 142 149 A G > - 0 0 36 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.366 50.3-107.9 -70.5 161.0 -23.9 19.5 19.3 143 150 A F H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 114.4 49.2 -59.0 -44.4 -21.1 17.4 17.8 144 151 A W H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 112.2 47.6 -67.4 -41.2 -21.7 18.3 14.1 145 152 A D H > S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 110.4 55.3 -60.0 -42.2 -21.8 22.0 14.8 146 153 A F H >X S+ 0 0 21 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.930 105.9 49.9 -56.5 -46.3 -18.7 21.5 16.9 147 154 A L H >< S+ 0 0 4 -4,-2.4 3,-0.6 1,-0.2 7,-0.4 0.896 106.4 56.7 -63.3 -34.5 -16.8 19.9 13.9 148 155 A D H 3< S+ 0 0 32 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 111.7 42.3 -65.4 -29.5 -17.9 22.8 11.7 149 156 A K H << S+ 0 0 160 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.515 112.8 54.9 -91.5 -9.1 -16.2 25.3 14.0 150 157 A N XX - 0 0 56 -4,-1.0 4,-2.1 -3,-0.6 3,-1.0 -0.731 61.1-175.3-132.7 83.8 -13.1 23.3 14.7 151 158 A P H 3> S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.822 84.3 53.9 -46.2 -45.7 -11.2 22.3 11.6 152 159 A E H 3> S+ 0 0 172 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.870 110.8 47.5 -63.3 -33.6 -8.6 20.2 13.3 153 160 A Y H <> S+ 0 0 49 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.870 110.6 51.9 -73.0 -36.9 -11.3 18.2 15.0 154 161 A N H X S+ 0 0 44 -4,-2.1 4,-2.8 -7,-0.4 -2,-0.2 0.927 111.1 48.0 -64.4 -41.1 -13.1 17.8 11.7 155 162 A T H X S+ 0 0 76 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.945 111.8 49.0 -63.7 -47.8 -9.9 16.5 10.0 156 163 A S H X S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.930 112.8 47.4 -59.0 -44.5 -9.2 14.1 12.8 157 164 A F H X S+ 0 0 31 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.926 112.7 49.2 -64.1 -45.3 -12.8 12.8 12.7 158 165 A N H X S+ 0 0 56 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.899 111.0 49.2 -62.8 -40.3 -12.7 12.4 8.9 159 166 A D H X S+ 0 0 87 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.878 111.1 50.8 -64.5 -37.3 -9.4 10.6 9.0 160 167 A A H X S+ 0 0 6 -4,-2.1 4,-0.5 -5,-0.3 3,-0.4 0.946 111.4 46.8 -65.8 -48.2 -10.8 8.3 11.7 161 168 A M H >< S+ 0 0 34 -4,-2.7 3,-0.6 1,-0.2 4,-0.3 0.868 111.8 52.8 -61.6 -34.0 -13.9 7.5 9.6 162 169 A A H >X S+ 0 0 43 -4,-2.3 3,-1.4 -5,-0.2 4,-0.6 0.828 90.0 80.5 -69.8 -28.7 -11.7 6.9 6.5 163 170 A S H 3< S+ 0 0 19 -4,-1.6 -60,-0.4 -3,-0.4 -1,-0.2 0.783 106.1 24.2 -54.4 -36.9 -9.5 4.4 8.3 164 171 A D T S+ 0 0 9 -3,-1.4 4,-3.1 -4,-0.3 5,-0.3 0.885 72.4 55.1 -64.8 -42.5 -13.6 2.7 4.9 166 173 A K H X S+ 0 0 149 -4,-0.6 4,-2.6 1,-0.2 5,-0.3 0.929 109.4 48.8 -56.2 -47.5 -11.8 0.7 2.2 167 174 A L H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 117.4 39.2 -57.7 -46.7 -12.7 -2.6 3.9 168 175 A I H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.924 116.5 50.1 -73.2 -43.2 -16.4 -1.7 4.4 169 176 A N H X S+ 0 0 1 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.873 111.2 48.1 -67.8 -37.5 -16.8 -0.0 1.0 170 177 A L H X S+ 0 0 69 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.913 111.3 51.2 -68.9 -38.1 -15.3 -2.9 -0.9 171 178 A A H < S+ 0 0 21 -4,-1.8 4,-0.3 -5,-0.3 -2,-0.2 0.935 112.4 48.5 -62.6 -40.2 -17.5 -5.4 1.0 172 179 A L H >< S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.943 109.0 49.0 -64.1 -48.6 -20.5 -3.2 0.1 173 180 A R H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.0 61.6 -67.5 -18.4 -19.7 -2.9 -3.7 174 181 A D T 3< S+ 0 0 108 -4,-1.5 2,-1.3 -5,-0.2 -1,-0.3 0.501 81.6 93.5 -80.9 -6.2 -19.2 -6.7 -3.8 175 182 A C X> + 0 0 19 -3,-1.9 3,-1.5 -4,-0.3 4,-1.2 -0.668 52.3 178.1 -86.6 87.6 -22.9 -7.1 -2.7 176 183 A D H 3> S+ 0 0 94 -2,-1.3 4,-2.7 1,-0.3 -1,-0.2 0.874 74.9 65.7 -60.1 -33.6 -24.6 -7.4 -6.1 177 184 A F H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.770 99.9 53.1 -61.1 -25.4 -28.0 -7.9 -4.5 178 185 A V H <4 S+ 0 0 2 -3,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 0.922 119.1 32.2 -73.9 -41.8 -27.8 -4.4 -3.2 179 186 A F H >< S+ 0 0 9 -4,-1.2 3,-2.0 -3,-0.2 -2,-0.2 0.678 83.2 121.6 -94.8 -14.0 -27.1 -2.8 -6.5 180 187 A D T 3< S+ 0 0 114 -4,-2.7 3,-0.1 1,-0.3 -3,-0.0 -0.168 87.9 1.7 -50.9 127.4 -28.9 -5.0 -9.0 181 188 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.320 93.5 137.9 79.1 -11.0 -31.5 -3.0 -11.0 182 189 A L < + 0 0 33 -3,-2.0 -1,-0.2 1,-0.2 3,-0.1 -0.429 29.6 179.0 -71.2 145.4 -30.7 0.4 -9.4 183 190 A E S S+ 0 0 142 1,-0.4 24,-2.2 -2,-0.1 2,-0.3 0.589 73.2 13.9-110.5 -20.9 -30.5 3.4 -11.6 184 191 A S E -c 207 0B 18 22,-0.2 58,-0.4 2,-0.0 -1,-0.4 -0.993 58.2-175.5-153.2 152.3 -29.8 5.9 -8.7 185 192 A I E -c 208 0B 2 22,-2.0 24,-2.3 -2,-0.3 2,-0.5 -0.988 13.4-150.3-146.8 144.0 -28.8 5.9 -5.1 186 193 A V E -cd 209 243B 0 56,-2.2 58,-2.7 -2,-0.3 2,-0.9 -0.982 10.8-147.7-116.7 126.4 -28.4 8.6 -2.5 187 194 A D E > -cd 210 244B 0 22,-2.9 24,-2.5 -2,-0.5 3,-1.2 -0.827 20.0-149.9 -93.8 103.5 -25.8 8.1 0.3 188 195 A V E 3 S+c 211 0B 0 56,-2.4 58,-0.4 -2,-0.9 24,-0.2 -0.710 84.2 9.4 -83.1 124.8 -27.4 9.9 3.2 189 196 A G T 3 S+ 0 0 0 22,-2.3 -1,-0.3 -2,-0.5 23,-0.2 0.822 88.5 163.1 69.9 35.3 -24.8 11.4 5.6 190 197 A G X - 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