==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JUN-12 4FND . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.B.BRUNING,N.GAO,E.D.HERNANDEZ,H.LI,N.DANG,L.W.HUNG,J.C SAC . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 1 1 1 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 0 A S 0 0 72 0, 0.0 21,-0.2 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 156.0 14.4 8.6 21.0 2 1 A M + 0 0 114 1,-0.2 20,-0.1 19,-0.1 19,-0.1 0.843 360.0 44.8 -69.9 -33.0 12.7 6.7 18.2 3 2 A S S S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.1 18,-0.1 0.836 127.8 30.0 -76.2 -34.3 12.8 9.7 15.9 4 3 A D S S+ 0 0 116 16,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.728 75.7 161.6-124.5 76.8 16.4 10.5 16.9 5 4 A P + 0 0 9 0, 0.0 15,-3.2 0, 0.0 2,-0.4 0.515 52.7 58.8 -87.4 -2.7 17.8 7.0 17.7 6 5 A V E -A 19 0A 17 13,-0.2 2,-0.3 15,-0.1 13,-0.2 -0.985 56.7-166.7-130.8 133.2 21.6 7.7 17.5 7 6 A S E -A 18 0A 57 11,-2.1 11,-2.3 -2,-0.4 2,-0.4 -0.877 7.1-156.6-111.3 150.9 23.9 10.1 19.3 8 7 A Y E +A 17 0A 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.995 14.0 174.3-127.9 128.8 27.5 10.9 18.3 9 8 A T E -A 16 0A 69 7,-1.9 7,-3.1 -2,-0.4 2,-0.4 -0.965 20.4-146.6-139.4 117.6 30.0 12.2 20.8 10 9 A R E -A 15 0A 127 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.712 14.3-175.0 -82.4 129.7 33.7 12.9 20.1 11 10 A K E > -A 14 0A 83 3,-3.2 3,-2.3 -2,-0.4 2,-0.3 -0.866 53.6 -78.5-126.1 97.6 36.0 12.2 23.1 12 11 A D T 3 S+ 0 0 116 -2,-0.5 36,-0.1 1,-0.3 -1,-0.1 -0.300 120.5 5.7 49.3-104.4 39.6 13.2 22.3 13 12 A S T 3 S+ 0 0 43 -2,-0.3 35,-2.0 34,-0.1 36,-0.8 0.422 128.8 54.1 -90.0 0.1 40.9 10.3 20.2 14 13 A I E < -Ab 11 49A 3 -3,-2.3 -3,-3.2 34,-0.2 2,-0.4 -0.877 65.2-140.1-131.8 160.7 37.7 8.4 19.9 15 14 A A E -Ab 10 50A 0 34,-2.2 36,-2.6 -2,-0.3 2,-0.6 -0.992 15.3-149.7-120.0 135.0 34.1 8.8 18.8 16 15 A V E -Ab 9 51A 8 -7,-3.1 -7,-1.9 -2,-0.4 2,-0.6 -0.917 10.1-169.5-106.5 115.4 31.2 7.2 20.8 17 16 A I E -Ab 8 52A 0 34,-3.5 36,-2.6 -2,-0.6 2,-0.5 -0.928 10.0-167.0-106.7 119.1 28.2 6.3 18.7 18 17 A S E -Ab 7 53A 29 -11,-2.3 -11,-2.1 -2,-0.6 2,-0.5 -0.917 11.7-150.6-118.7 122.3 25.2 5.3 20.9 19 18 A M E +A 6 0A 0 34,-2.7 -13,-0.2 -2,-0.5 2,-0.2 -0.735 30.5 148.7 -84.8 127.4 22.0 3.6 19.8 20 19 A D + 0 0 74 -15,-3.2 -16,-0.1 -2,-0.5 4,-0.1 -0.619 10.9 164.2-156.1 99.0 18.9 4.3 21.8 21 20 A D - 0 0 7 -2,-0.2 3,-0.2 -19,-0.1 -19,-0.1 0.281 66.6-103.9 -95.0 11.1 15.5 4.3 20.0 22 21 A G S S+ 0 0 46 1,-0.3 -20,-0.1 -21,-0.2 2,-0.0 0.363 103.9 43.9 85.6 -5.2 13.7 4.1 23.3 23 22 A K S S- 0 0 105 -22,-0.1 -1,-0.3 3,-0.0 35,-0.2 0.093 123.6 -34.2-134.7-117.2 13.1 0.4 22.8 24 23 A V S S- 0 0 61 -3,-0.2 37,-2.9 33,-0.1 38,-0.3 0.035 76.0-109.5-112.3 28.5 15.2 -2.5 21.5 25 24 A N - 0 0 0 35,-0.2 37,-0.4 1,-0.2 2,-0.1 0.884 42.3-160.7 48.0 48.0 17.3 -0.6 18.9 26 25 A A - 0 0 21 35,-0.1 2,-1.6 1,-0.1 37,-0.2 -0.361 17.7-128.9 -59.0 134.9 15.6 -2.2 15.9 27 26 A L + 0 0 3 35,-3.0 37,-0.2 4,-0.1 -1,-0.1 -0.422 55.2 143.1 -91.1 60.8 17.9 -1.9 12.9 28 27 A G > - 0 0 5 -2,-1.6 4,-2.6 35,-0.2 5,-0.2 -0.131 69.8 -78.4 -84.1-172.5 15.3 -0.5 10.5 29 28 A P H > S+ 0 0 75 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.896 129.3 50.2 -58.5 -46.1 15.9 2.2 7.8 30 29 A A H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 113.4 46.2 -60.1 -44.0 15.9 5.2 10.2 31 30 A M H > S+ 0 0 5 -5,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.926 112.6 49.7 -65.7 -45.5 18.4 3.4 12.5 32 31 A Q H X S+ 0 0 17 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.923 112.5 47.2 -59.3 -45.9 20.6 2.4 9.7 33 32 A Q H X S+ 0 0 128 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 111.7 51.3 -63.0 -42.2 20.7 5.9 8.2 34 33 A A H X S+ 0 0 14 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.936 111.9 47.1 -59.2 -45.2 21.4 7.3 11.7 35 34 A L H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.943 112.0 48.9 -62.2 -49.4 24.3 4.9 12.1 36 35 A N H X S+ 0 0 48 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.893 111.6 50.4 -57.1 -38.8 25.8 5.6 8.7 37 36 A A H X S+ 0 0 36 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.876 109.1 50.7 -70.0 -36.8 25.5 9.4 9.3 38 37 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.902 109.7 50.7 -66.3 -39.7 27.3 9.0 12.6 39 38 A I H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 106.2 54.7 -64.7 -40.9 30.1 7.1 11.0 40 39 A D H X S+ 0 0 65 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.886 106.8 52.9 -56.0 -39.7 30.4 9.8 8.3 41 40 A N H X S+ 0 0 44 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.929 107.0 50.5 -61.4 -46.0 30.8 12.2 11.3 42 41 A A H X>S+ 0 0 0 -4,-2.1 5,-1.4 1,-0.2 4,-0.7 0.883 109.6 51.9 -59.8 -37.9 33.6 10.0 12.6 43 42 A D H ><5S+ 0 0 70 -4,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.928 109.6 49.3 -60.6 -45.7 35.2 10.1 9.1 44 43 A R H 3<5S+ 0 0 169 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 113.0 45.5 -62.4 -41.8 35.0 13.9 9.2 45 44 A D H 3<5S- 0 0 43 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.585 100.6-139.4 -76.7 -9.9 36.6 14.2 12.6 46 45 A D T <<5 - 0 0 114 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.913 33.1-171.3 49.0 50.0 39.2 11.7 11.5 47 46 A V < - 0 0 2 -5,-1.4 -33,-0.2 1,-0.1 -34,-0.1 -0.140 31.3-124.7 -68.9 165.2 39.0 10.0 15.0 48 47 A G S S- 0 0 23 -35,-2.0 2,-0.3 1,-0.2 -34,-0.2 0.762 84.7 -5.8 -81.1 -26.6 41.4 7.3 16.2 49 48 A A E -b 14 0A 0 -36,-0.8 -34,-2.2 46,-0.2 2,-0.4 -0.985 62.3-125.4-164.8 158.0 38.7 4.7 17.0 50 49 A L E -bc 15 97A 0 46,-2.7 48,-3.6 -2,-0.3 2,-0.4 -0.905 10.8-166.5-112.3 139.8 35.0 4.1 17.2 51 50 A V E -bc 16 98A 0 -36,-2.6 -34,-3.5 -2,-0.4 2,-0.5 -0.992 8.5-167.3-115.8 132.1 32.9 2.8 20.1 52 51 A I E -bc 17 99A 5 46,-2.5 48,-3.5 -2,-0.4 2,-0.3 -0.983 11.6-178.1-117.8 129.0 29.4 1.7 19.2 53 52 A T E -bc 18 100A 7 -36,-2.6 -34,-2.7 -2,-0.5 48,-0.2 -0.806 19.5-145.5-121.7 161.8 26.9 1.1 22.1 54 53 A G - 0 0 6 46,-1.0 5,-0.2 -2,-0.3 2,-0.1 -0.093 38.6 -90.8 -95.3-153.7 23.4 -0.0 22.6 55 54 A N - 0 0 18 3,-2.0 -1,-0.2 4,-0.2 -35,-0.1 -0.328 47.6 -80.2-109.2-164.4 21.1 1.3 25.4 56 55 A G S S+ 0 0 83 1,-0.2 3,-0.1 -2,-0.1 -36,-0.1 0.612 127.1 45.1 -76.1 -9.2 20.5 0.1 28.9 57 56 A R S S- 0 0 155 1,-0.3 47,-0.9 -34,-0.2 2,-0.3 0.830 123.1 -13.5-101.5 -45.2 18.1 -2.6 27.7 58 57 A V E -f 104 0B 12 45,-0.3 -3,-2.0 1,-0.2 -1,-0.3 -0.950 42.3-130.0-146.1 167.1 19.8 -4.2 24.7 59 58 A F E S- 0 0 0 45,-2.7 2,-0.3 -2,-0.3 -1,-0.2 0.893 94.4 -42.5 -73.0 -66.7 22.7 -3.9 22.3 60 59 A S E -f 105 0B 0 44,-1.2 46,-2.0 43,-0.1 -1,-0.2 -0.935 35.6-144.3-160.6 142.5 20.1 -4.5 19.6 61 60 A G - 0 0 32 -37,-2.9 47,-0.2 1,-0.3 2,-0.2 0.345 58.4-120.5 -85.5 5.7 17.1 -6.8 19.0 62 61 A G + 0 0 0 -37,-0.4 -35,-3.0 -38,-0.3 -1,-0.3 -0.544 63.6 6.1 98.4-157.1 18.0 -7.0 15.3 63 62 A F S S- 0 0 31 -37,-0.2 2,-0.6 -2,-0.2 -35,-0.2 -0.228 87.6 -90.0 -61.0 152.5 16.1 -6.0 12.2 64 63 A D > - 0 0 50 1,-0.2 4,-2.3 -37,-0.2 3,-0.2 -0.539 34.4-159.2 -65.4 112.1 12.7 -4.3 12.6 65 64 A L H > S+ 0 0 108 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.751 86.8 64.2 -65.4 -28.8 10.1 -7.1 12.8 66 65 A K H 4 S+ 0 0 66 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.948 111.1 36.3 -61.7 -47.7 7.3 -4.8 11.8 67 66 A I H >4 S+ 0 0 38 -3,-0.2 3,-1.3 1,-0.2 5,-0.4 0.937 114.1 57.1 -67.9 -48.3 8.9 -4.2 8.4 68 67 A L H 3< S+ 0 0 36 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.858 120.5 28.1 -52.0 -39.9 10.2 -7.7 8.0 69 68 A T T 3< S+ 0 0 102 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.161 84.6 105.5-115.0 18.3 6.7 -9.2 8.4 70 69 A S S < S- 0 0 69 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.740 93.0-113.1 -68.5 -22.2 4.4 -6.5 7.1 71 70 A G S S+ 0 0 71 -4,-0.4 2,-0.6 1,-0.3 -2,-0.1 0.454 82.0 118.8 100.2 2.6 3.9 -8.6 3.9 72 71 A E > - 0 0 130 -5,-0.4 4,-0.9 1,-0.2 -1,-0.3 -0.917 47.4-162.7-101.3 120.8 5.7 -6.2 1.6 73 72 A V H > S+ 0 0 79 -2,-0.6 4,-2.6 1,-0.2 3,-0.3 0.933 76.8 52.3 -73.3 -51.0 8.7 -7.8 0.0 74 73 A Q H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.846 108.3 50.4 -61.8 -38.3 10.9 -5.1 -1.4 75 74 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.867 111.7 49.3 -67.8 -34.2 11.1 -3.0 1.8 76 75 A A H X S+ 0 0 2 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.932 113.1 47.0 -67.3 -46.0 12.1 -6.1 3.8 77 76 A I H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.932 112.8 49.4 -56.4 -46.7 14.7 -6.9 1.2 78 77 A D H X S+ 0 0 74 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.875 110.4 50.1 -64.5 -38.8 15.9 -3.3 1.2 79 78 A M H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.935 112.7 47.7 -64.3 -43.7 16.2 -3.3 5.1 80 79 A L H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.934 111.1 49.6 -62.5 -48.0 18.1 -6.6 5.0 81 80 A R H X S+ 0 0 70 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.913 111.3 50.1 -58.1 -43.6 20.5 -5.3 2.3 82 81 A G H X S+ 0 0 16 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.868 108.1 52.7 -64.5 -38.4 21.2 -2.1 4.2 83 82 A G H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.927 113.5 42.6 -61.8 -45.1 21.9 -4.0 7.5 84 83 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.828 110.7 56.3 -75.8 -29.3 24.5 -6.2 5.8 85 84 A E H X S+ 0 0 71 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.915 108.1 49.0 -59.3 -46.7 25.9 -3.2 3.9 86 85 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 109.7 51.7 -62.3 -40.9 26.5 -1.5 7.2 87 86 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.909 109.4 50.1 -59.3 -44.5 28.1 -4.7 8.6 88 87 A Y H X S+ 0 0 61 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.923 109.9 51.4 -58.8 -44.6 30.4 -4.7 5.6 89 88 A R H < S+ 0 0 60 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.891 112.2 45.3 -62.9 -42.2 31.3 -1.1 6.2 90 89 A L H >< S+ 0 0 2 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.913 111.2 51.9 -69.8 -41.2 32.1 -1.8 9.9 91 90 A L H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.807 118.4 38.4 -63.6 -28.3 34.2 -4.9 9.1 92 91 A S T 3< S+ 0 0 30 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.399 85.1 135.1-101.1 1.2 36.2 -2.9 6.5 93 92 A Y < - 0 0 4 -3,-0.8 4,-0.1 -4,-0.4 -3,-0.1 -0.225 56.3-136.7 -56.0 133.1 36.4 0.3 8.5 94 93 A P S S+ 0 0 57 0, 0.0 111,-0.3 0, 0.0 -1,-0.1 0.536 84.4 62.2 -75.3 -4.7 39.9 1.8 8.5 95 94 A K S S- 0 0 14 109,-0.1 -46,-0.2 110,-0.1 -47,-0.1 -0.870 101.8 -88.2-112.3 153.1 39.9 2.7 12.2 96 95 A P - 0 0 4 0, 0.0 -46,-2.7 0, 0.0 2,-0.5 -0.311 42.2-152.2 -56.3 139.6 39.5 0.2 15.2 97 96 A V E -c 50 0A 0 -48,-0.2 20,-2.0 -4,-0.1 21,-1.6 -0.973 9.8-168.7-121.0 119.5 35.9 -0.4 16.0 98 97 A V E -cd 51 118A 0 -48,-3.6 -46,-2.5 -2,-0.5 2,-0.5 -0.937 9.6-149.6-111.5 127.2 34.9 -1.4 19.6 99 98 A M E -cd 52 119A 0 19,-2.6 21,-2.7 -2,-0.5 2,-0.9 -0.821 1.3-156.8 -94.2 126.0 31.4 -2.6 20.3 100 99 A A E -cd 53 120A 0 -48,-3.5 2,-1.4 -2,-0.5 -46,-1.0 -0.844 10.8-157.7 -99.1 96.2 30.0 -1.9 23.8 101 100 A C E + d 0 121A 0 19,-3.1 21,-0.5 -2,-0.9 -42,-0.1 -0.602 19.5 172.5 -77.8 94.1 27.4 -4.7 24.1 102 101 A T - 0 0 16 -2,-1.4 2,-0.3 -44,-0.2 -1,-0.2 0.421 61.5 -8.4 -91.3 0.7 25.2 -3.0 26.7 103 102 A G S S- 0 0 2 1,-0.1 -45,-0.3 23,-0.1 -43,-0.1 -0.886 106.4 -26.5-170.1-165.5 22.4 -5.5 26.6 104 103 A H E -f 58 0B 71 -47,-0.9 -45,-2.7 -2,-0.3 -44,-1.2 -0.196 47.7-154.8 -61.7 152.7 21.1 -8.6 24.7 105 104 A A E +fg 60 127B 0 21,-3.1 23,-1.9 -46,-0.2 2,-0.4 -0.925 17.4 179.8-133.0 106.6 22.1 -8.9 21.0 106 105 A I E > - 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0 0 69 22,-2.5 4,-2.9 -2,-0.2 5,-0.2 -0.169 38.8-100.2 -57.1 161.4 34.9 -21.3 16.8 152 151 A R H > S+ 0 0 233 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.896 122.7 40.3 -54.4 -45.6 34.1 -24.3 14.5 153 152 A S H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 114.7 51.2 -74.6 -35.8 31.9 -26.1 17.0 154 153 A A H > S+ 0 0 10 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.894 106.8 56.3 -65.6 -37.7 30.2 -22.9 18.3 155 154 A Y H X S+ 0 0 38 -4,-2.9 4,-1.8 1,-0.2 5,-0.3 0.924 105.1 52.0 -58.7 -45.4 29.4 -21.9 14.7 156 155 A Q H X>S+ 0 0 123 -4,-1.5 4,-1.1 -5,-0.2 5,-0.6 0.933 116.7 37.9 -55.8 -49.1 27.6 -25.3 14.3 157 156 A Q H X5S+ 0 0 83 -4,-1.7 6,-2.0 1,-0.2 4,-0.8 0.870 112.3 57.1 -75.8 -34.2 25.4 -24.8 17.4 158 157 A A H <5S+ 0 0 0 -4,-3.2 -29,-0.3 4,-0.2 -1,-0.2 0.836 119.3 31.0 -65.0 -31.7 24.9 -21.0 16.9 159 158 A T H ><5S+ 0 0 18 -4,-1.8 3,-1.1 -5,-0.2 -27,-0.3 0.928 127.3 31.1 -91.1 -77.2 23.4 -21.6 13.5 160 159 A G H 3<5S+ 0 0 46 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.791 132.5 33.6 -53.9 -34.4 21.6 -24.9 13.2 161 160 A L T 3<> - 0 0 96 -2,-0.3 3,-1.5 -40,-0.2 4,-1.2 -0.974 50.4 -21.0-162.2 156.0 26.5 -15.4 27.3 167 166 A G H 3> S+ 0 0 4 -45,-0.7 4,-2.1 -42,-0.4 3,-0.2 -0.059 128.4 5.0 47.9-125.3 29.4 -14.5 29.5 168 167 A E H 3> S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.822 133.7 52.3 -60.8 -35.9 32.1 -17.1 29.5 169 168 A T H <> S+ 0 0 62 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.851 110.9 48.3 -73.1 -31.1 30.4 -19.4 26.9 170 169 A A H X>S+ 0 0 0 -4,-1.2 5,-2.9 -3,-0.2 4,-1.2 0.862 112.7 49.2 -71.4 -37.1 30.1 -16.4 24.6 171 170 A L H <5S+ 0 0 62 -4,-2.1 -2,-0.2 4,-0.2 3,-0.2 0.915 113.7 44.6 -67.5 -45.5 33.8 -15.6 25.2 172 171 A A H <5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.0 51.3 -65.3 -35.7 34.9 -19.1 24.6 173 172 A A H <5S- 0 0 6 -4,-1.6 -22,-2.5 -5,-0.2 -1,-0.2 0.749 115.6-114.0 -75.2 -24.1 32.7 -19.4 21.5 174 173 A G T <5S+ 0 0 13 -4,-1.2 -3,-0.2 2,-0.3 -4,-0.1 0.659 82.6 121.5 94.1 20.7 34.1 -16.1 20.0 175 174 A F S > - 0 0 100 -2,-0.3 3,-2.2 -59,-0.2 4,-0.7 -0.364 46.6-110.9 -61.3 145.2 30.2 -5.8 34.8 182 181 A P G >4 S+ 0 0 52 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.852 115.1 57.0 -46.4 -45.0 27.2 -4.0 33.3 183 182 A E G 34 S+ 0 0 145 1,-0.3 4,-0.2 2,-0.1 -2,-0.1 0.592 115.2 35.9 -71.2 -11.1 28.1 -0.7 34.8 184 183 A V G <> S+ 0 0 37 -3,-2.2 4,-2.8 2,-0.1 5,-0.3 0.297 82.7 103.7-122.3 9.4 31.5 -0.6 33.2 185 184 A V H S+ 0 0 49 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.944 113.7 51.1 -62.1 -48.8 30.9 1.2 28.1 187 186 A S H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 110.8 49.4 -55.1 -43.1 33.9 2.5 30.1 188 187 A R H X S+ 0 0 91 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.887 110.8 50.1 -64.6 -40.0 35.9 -0.7 29.2 189 188 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.945 111.5 47.7 -62.9 -48.3 35.0 -0.3 25.5 190 189 A E H X S+ 0 0 27 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.909 111.8 51.3 -57.9 -42.6 36.1 3.4 25.5 191 190 A E H X S+ 0 0 93 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.918 111.3 46.4 -61.1 -46.4 39.4 2.4 27.3 192 191 A A H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.913 110.9 53.7 -61.4 -43.4 40.1 -0.3 24.7 193 192 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.912 106.1 51.8 -58.3 -45.6 39.3 2.1 21.9 194 193 A R H < S+ 0 0 113 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.897 111.3 48.4 -59.7 -40.1 41.8 4.7 23.2 195 194 A E H >< S+ 0 0 137 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.931 110.5 49.7 -65.3 -45.7 44.4 2.0 23.3 196 195 A F H >< S+ 0 0 47 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.838 99.4 65.9 -65.6 -32.3 43.7 0.8 19.8 197 196 A A T 3< S+ 0 0 29 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.711 93.6 63.4 -59.5 -20.5 43.9 4.3 18.5 198 197 A G T < S+ 0 0 68 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.573 83.7 96.3 -81.4 -11.8 47.5 4.2 19.4 199 198 A L S < S- 0 0 98 -3,-2.0 2,-0.5 -4,-0.3 3,-0.1 -0.331 99.1 -85.5 -67.1 158.9 48.1 1.4 16.9 200 199 A N > - 0 0 109 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.594 40.1-150.2 -67.9 121.0 49.5 2.5 13.5 201 200 A Q H > S+ 0 0 84 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.934 90.9 47.7 -65.4 -45.6 46.3 3.4 11.6 202 201 A H H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 114.2 46.9 -60.2 -48.0 47.6 2.5 8.1 203 202 A A H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 114.1 48.9 -61.4 -38.4 49.0 -0.9 9.2 204 203 A H H X S+ 0 0 30 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.939 111.5 47.4 -67.7 -50.5 45.7 -1.6 11.1 205 204 A A H X S+ 0 0 16 -4,-2.9 4,-1.3 -111,-0.3 -2,-0.2 0.930 118.0 42.8 -55.2 -46.9 43.5 -0.7 8.2 206 205 A A H X S+ 0 0 40 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.896 115.2 48.1 -69.5 -41.7 45.6 -2.8 5.8 207 206 A T H X S+ 0 0 87 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.901 107.7 53.6 -69.5 -41.5 46.0 -5.8 8.1 208 207 A K H X S+ 0 0 7 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.882 107.3 52.7 -62.3 -36.2 42.4 -6.1 9.1 209 208 A L H >X S+ 0 0 75 -4,-1.3 3,-1.0 -5,-0.3 4,-0.7 0.935 110.2 47.5 -63.6 -44.5 41.4 -6.3 5.4 210 209 A R H >< S+ 0 0 214 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.867 110.1 52.7 -60.6 -38.2 43.9 -9.1 4.8 211 210 A S H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.607 121.8 32.0 -76.5 -8.5 42.6 -10.9 7.9 212 211 A R H S+ 0 0 142 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.866 115.7 50.4 -66.4 -38.0 37.5 -14.0 2.0 215 214 A A H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 109.9 49.6 -64.7 -43.0 34.8 -13.1 4.5 216 215 A L H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.896 111.2 49.3 -67.1 -39.6 34.3 -9.6 3.0 217 216 A T H X S+ 0 0 103 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.923 113.6 46.5 -62.1 -45.0 34.1 -11.1 -0.5 218 217 A A H X S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.830 111.7 51.6 -67.0 -33.2 31.5 -13.6 0.6 219 218 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 107.1 52.4 -70.7 -39.7 29.6 -10.9 2.5 220 219 A R H X S+ 0 0 82 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.933 112.4 46.5 -58.5 -44.3 29.4 -8.8 -0.6 221 220 A A H X S+ 0 0 63 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.894 110.7 52.5 -64.5 -40.3 28.0 -11.8 -2.5 222 221 A G H < S+ 0 0 5 -4,-2.0 -81,-0.3 2,-0.2 -1,-0.2 0.840 107.5 51.7 -66.1 -33.4 25.6 -12.4 0.3 223 222 A I H >< S+ 0 0 1 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.914 111.4 46.5 -66.9 -45.4 24.4 -8.8 0.2 224 223 A D H 3< S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.586 112.9 52.5 -72.7 -10.2 23.8 -9.1 -3.6 225 224 A G T 3X S+ 0 0 25 -4,-0.8 4,-1.1 -5,-0.2 -1,-0.2 0.273 75.9 101.8-107.3 10.0 22.0 -12.5 -3.0 226 225 A I H X> S+ 0 0 1 -3,-1.1 4,-1.1 1,-0.2 3,-0.9 0.926 80.0 53.8 -60.0 -46.5 19.6 -11.3 -0.4 227 226 A A H 34>S+ 0 0 31 -4,-0.3 5,-2.1 1,-0.3 4,-0.4 0.881 105.1 55.1 -54.2 -40.6 16.7 -11.2 -2.9 228 227 A A H >45S+ 0 0 70 4,-0.2 3,-0.6 3,-0.2 -1,-0.3 0.761 94.5 68.0 -66.1 -26.8 17.4 -14.8 -3.9 229 228 A E H <<5S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.960 102.4 45.7 -56.4 -50.7 17.1 -15.9 -0.2 230 229 A F T 3<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.663 122.4-113.4 -61.1 -16.3 13.4 -15.0 -0.5 231 230 A G T < 5 0 0 70 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.551 360.0 360.0 85.0 11.0 13.5 -16.9 -3.8 232 231 A L < 0 0 84 -5,-2.1 -4,-0.2 -6,-0.2 -3,-0.1 0.003 360.0 360.0 -88.8 360.0 12.8 -13.5 -5.3