==== 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 4FN8 . 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 . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.3 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 1 1 0 1 2 0 2 0 0 0 0 1 0 1 0 0 0 0 0 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 . 0 1 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 94 0, 0.0 21,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -42.6 9.2 -7.5 16.8 2 1 A M - 0 0 78 19,-0.2 20,-0.1 1,-0.1 18,-0.0 -0.356 360.0-111.7 -74.3 166.3 12.4 -6.3 18.5 3 2 A S S S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 18,-0.1 0.797 113.0 33.7 -73.1 -26.6 15.1 -5.1 16.2 4 3 A D S S+ 0 0 115 16,-0.1 -1,-0.3 1,-0.1 27,-0.0 -0.652 71.7 162.0-130.1 73.8 17.4 -8.0 17.2 5 4 A P + 0 0 8 0, 0.0 15,-3.4 0, 0.0 2,-0.4 0.507 55.5 54.1 -82.6 -8.3 15.1 -11.0 17.8 6 5 A V E -A 19 0A 17 13,-0.2 2,-0.3 15,-0.1 13,-0.2 -0.991 59.0-164.8-130.8 134.1 17.4 -14.0 17.6 7 6 A S E -A 18 0A 60 11,-2.2 11,-2.1 -2,-0.4 2,-0.4 -0.890 5.6-156.9-113.2 149.6 20.7 -14.7 19.4 8 7 A Y E +A 17 0A 49 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 14.7 173.4-125.3 126.2 23.3 -17.4 18.4 9 8 A T E -A 16 0A 69 7,-2.1 7,-3.5 -2,-0.4 2,-0.5 -0.980 19.4-149.8-135.8 123.7 25.7 -18.8 20.9 10 9 A R E -A 15 0A 143 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.818 14.5-178.8 -91.9 127.0 28.1 -21.7 20.2 11 10 A K E > -A 14 0A 84 3,-2.6 3,-2.3 -2,-0.5 2,-0.1 -0.916 55.1 -73.9-124.8 104.1 28.9 -23.8 23.3 12 11 A D T 3 S+ 0 0 101 -2,-0.5 36,-0.1 1,-0.3 -1,-0.1 -0.246 120.9 5.8 47.5-112.8 31.4 -26.6 22.5 13 12 A S T 3 S+ 0 0 44 34,-0.1 35,-1.8 -2,-0.1 36,-1.0 0.454 127.1 57.2 -81.7 -0.2 29.5 -29.3 20.5 14 13 A I E < -Ab 11 49A 0 -3,-2.3 -3,-2.6 34,-0.2 2,-0.4 -0.881 64.4-140.2-131.8 161.0 26.3 -27.4 20.2 15 14 A A E -Ab 10 50A 0 34,-2.1 36,-2.5 -2,-0.3 2,-0.6 -0.974 17.4-152.0-114.0 133.6 24.8 -24.1 18.9 16 15 A V E -Ab 9 51A 9 -7,-3.5 -7,-2.1 -2,-0.4 2,-0.6 -0.941 10.4-171.5-109.4 119.2 22.1 -22.4 21.0 17 16 A I E -Ab 8 52A 1 34,-3.3 36,-2.7 -2,-0.6 2,-0.5 -0.943 7.6-168.7-112.1 117.0 19.6 -20.3 19.0 18 17 A S E -Ab 7 53A 30 -11,-2.1 -11,-2.2 -2,-0.6 2,-0.5 -0.921 12.4-149.5-116.1 126.2 17.2 -18.2 21.1 19 18 A M E +A 6 0A 1 34,-2.4 -13,-0.2 -2,-0.5 2,-0.2 -0.799 31.0 149.6 -88.2 126.3 14.1 -16.3 19.9 20 19 A D + 0 0 71 -15,-3.4 -16,-0.1 -2,-0.5 4,-0.1 -0.616 11.7 163.9-155.3 95.9 13.3 -13.2 21.9 21 20 A D - 0 0 6 -2,-0.2 -19,-0.2 -20,-0.1 3,-0.2 0.205 66.6-104.2 -91.3 14.2 11.5 -10.3 20.1 22 21 A G S S+ 0 0 60 1,-0.2 2,-0.1 -17,-0.1 -2,-0.0 0.447 103.6 42.3 77.5 0.6 10.6 -8.8 23.5 23 22 A K S S- 0 0 123 3,-0.0 -1,-0.2 -21,-0.0 34,-0.2 0.019 124.6 -32.5-137.6-113.1 7.0 -10.0 23.1 24 23 A V S S- 0 0 47 -3,-0.2 37,-2.8 33,-0.1 38,-0.3 0.080 75.9-110.6-112.4 25.2 5.5 -13.4 21.8 25 24 A N - 0 0 0 35,-0.2 37,-0.4 1,-0.2 2,-0.1 0.889 40.7-160.2 52.0 46.3 8.2 -14.3 19.2 26 25 A A - 0 0 24 1,-0.1 2,-1.6 35,-0.1 37,-0.2 -0.363 17.6-128.7 -58.2 133.9 5.8 -13.7 16.2 27 26 A L + 0 0 5 35,-2.8 37,-0.2 4,-0.1 -1,-0.1 -0.416 54.9 144.7 -91.6 59.6 7.2 -15.6 13.2 28 27 A G > - 0 0 7 -2,-1.6 4,-2.4 35,-0.2 5,-0.2 -0.161 68.6 -79.2 -84.9-174.7 7.1 -12.7 10.8 29 28 A P H > S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.886 128.8 50.0 -58.4 -42.5 9.7 -12.0 8.0 30 29 A A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.891 112.5 47.0 -63.7 -41.8 12.3 -10.5 10.3 31 30 A M H > S+ 0 0 4 2,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.902 112.9 49.1 -65.7 -41.1 12.2 -13.4 12.7 32 31 A Q H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.915 111.3 50.0 -65.6 -42.0 12.4 -15.9 9.9 33 32 A Q H X S+ 0 0 129 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.930 111.6 48.6 -58.9 -46.7 15.3 -14.0 8.4 34 33 A A H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.886 111.7 49.1 -64.1 -39.9 17.1 -14.0 11.7 35 34 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.922 110.9 49.2 -65.0 -46.2 16.5 -17.8 12.3 36 35 A N H X S+ 0 0 45 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 111.8 49.7 -58.4 -40.5 17.7 -18.7 8.8 37 36 A A H X S+ 0 0 42 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.889 109.4 51.3 -66.4 -40.3 20.9 -16.6 9.4 38 37 A A H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 109.5 49.9 -63.4 -41.3 21.4 -18.3 12.8 39 38 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 106.7 55.3 -64.3 -38.5 21.1 -21.7 11.1 40 39 A D H X S+ 0 0 84 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 106.0 52.9 -57.5 -40.0 23.7 -20.5 8.5 41 40 A N H X S+ 0 0 69 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.921 107.6 49.9 -61.3 -44.2 26.0 -19.7 11.4 42 41 A A H X>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 4,-0.8 0.859 109.9 52.2 -62.4 -35.6 25.5 -23.3 12.8 43 42 A D H ><5S+ 0 0 77 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.936 109.7 48.1 -63.3 -46.7 26.3 -24.6 9.3 44 43 A R H 3<5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.879 114.0 46.8 -60.9 -38.6 29.5 -22.6 9.2 45 44 A D H 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.570 99.0-140.5 -83.1 -9.4 30.5 -23.8 12.6 46 45 A D T <<5 - 0 0 120 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 0.909 32.5-169.4 49.2 50.4 29.7 -27.4 11.7 47 46 A V < - 0 0 6 -5,-1.5 -33,-0.2 1,-0.1 -34,-0.1 -0.170 29.7-124.5 -70.2 163.9 28.2 -27.9 15.2 48 47 A G S S- 0 0 25 -35,-1.8 2,-0.3 1,-0.3 -34,-0.2 0.805 84.9 -8.7 -80.6 -30.3 27.2 -31.3 16.5 49 48 A A E -b 14 0A 0 -36,-1.0 -34,-2.1 46,-0.2 2,-0.4 -0.985 63.9-122.7-163.1 161.3 23.6 -30.3 17.3 50 49 A L E -bc 15 97A 0 46,-2.6 48,-3.1 -2,-0.3 2,-0.4 -0.889 12.3-166.4-112.7 139.8 21.2 -27.4 17.5 51 50 A V E -bc 16 98A 0 -36,-2.5 -34,-3.3 -2,-0.4 2,-0.5 -0.997 8.6-167.3-119.5 129.9 19.1 -26.2 20.4 52 51 A I E -bc 17 99A 4 46,-2.4 48,-3.2 -2,-0.4 2,-0.3 -0.980 11.3-179.9-118.3 128.9 16.3 -23.7 19.6 53 52 A T E -bc 18 100A 5 -36,-2.7 -34,-2.4 -2,-0.5 48,-0.1 -0.782 19.8-146.3-122.8 163.6 14.6 -21.8 22.4 54 53 A G - 0 0 5 46,-0.9 5,-0.2 -2,-0.3 2,-0.1 -0.127 37.9 -91.0-100.0-152.7 11.9 -19.2 22.9 55 54 A N - 0 0 19 3,-2.0 -1,-0.2 4,-0.2 -35,-0.1 -0.307 46.9 -79.1-110.9-162.3 11.9 -16.6 25.6 56 55 A G S S+ 0 0 82 1,-0.2 3,-0.1 -2,-0.1 -36,-0.1 0.683 126.7 43.0 -74.2 -15.5 10.5 -16.4 29.2 57 56 A R S S- 0 0 154 1,-0.3 47,-0.8 -34,-0.2 2,-0.3 0.831 123.9 -11.4 -99.6 -42.2 7.0 -15.8 28.0 58 57 A V E -f 104 0B 11 45,-0.3 -3,-2.0 1,-0.2 -1,-0.3 -0.946 42.7-131.1-146.8 166.6 6.4 -18.2 25.1 59 58 A F E S- 0 0 0 45,-2.9 2,-0.3 -2,-0.3 46,-0.2 0.869 95.1 -43.6 -76.1 -64.2 8.1 -20.5 22.7 60 59 A S E -f 105 0B 0 44,-1.3 46,-2.2 43,-0.1 -1,-0.2 -0.897 37.0-143.8-164.0 139.9 6.2 -18.7 20.0 61 60 A G - 0 0 30 -37,-2.8 47,-0.2 1,-0.3 2,-0.2 0.328 59.2-116.1 -81.4 5.8 2.7 -17.4 19.5 62 61 A G + 0 0 1 -37,-0.4 -35,-2.8 -38,-0.3 -1,-0.3 -0.565 63.1 0.0 100.2-160.1 2.9 -18.3 15.8 63 62 A F S S- 0 0 26 -37,-0.2 2,-0.6 -2,-0.2 -35,-0.2 -0.238 88.7 -85.4 -62.6 155.9 2.8 -16.2 12.6 64 63 A D > - 0 0 48 -37,-0.2 4,-2.3 1,-0.2 3,-0.2 -0.523 36.7-158.9 -65.2 110.4 2.5 -12.4 12.9 65 64 A L H > S+ 0 0 104 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.797 88.3 62.1 -64.1 -29.7 -1.3 -11.8 13.1 66 65 A K H 4 S+ 0 0 65 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.954 110.3 38.6 -60.4 -49.2 -0.9 -8.2 12.0 67 66 A I H >4 S+ 0 0 38 1,-0.2 3,-1.1 2,-0.2 5,-0.3 0.897 113.8 56.1 -67.4 -40.4 0.5 -9.3 8.6 68 67 A L H 3< S+ 0 0 38 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.889 117.6 33.7 -60.0 -38.7 -1.9 -12.2 8.4 69 68 A T T 3< S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.169 86.8 102.6-104.7 17.2 -4.9 -9.9 8.8 70 69 A S S < S- 0 0 74 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.1 0.677 89.1-119.2 -76.4 -16.0 -3.6 -6.8 7.0 71 70 A G S S+ 0 0 72 -3,-0.3 2,-0.8 -4,-0.3 -1,-0.1 0.403 77.5 123.0 89.1 -0.7 -5.6 -7.5 3.8 72 71 A E > - 0 0 42 -5,-0.3 4,-1.4 1,-0.2 -1,-0.2 -0.839 45.1-165.9 -98.0 107.6 -2.4 -7.7 1.7 73 72 A V H > S+ 0 0 86 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.898 77.7 48.0 -63.2 -49.7 -2.5 -11.2 0.1 74 73 A Q H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.894 110.0 51.0 -68.4 -39.5 1.1 -11.7 -1.2 75 74 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 112.7 47.7 -61.2 -39.3 2.9 -10.6 2.1 76 75 A A H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.919 112.8 48.6 -66.1 -44.6 0.7 -13.1 4.0 77 76 A I H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.946 112.3 48.7 -57.1 -48.8 1.4 -15.8 1.4 78 77 A D H X S+ 0 0 76 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.891 110.0 51.5 -63.9 -39.4 5.1 -15.1 1.6 79 78 A M H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.931 112.9 45.2 -61.5 -46.4 5.1 -15.2 5.4 80 79 A L H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.931 113.1 49.7 -63.8 -45.4 3.4 -18.5 5.5 81 80 A R H X S+ 0 0 78 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.922 110.9 50.4 -59.1 -44.2 5.6 -20.0 2.8 82 81 A G H X S+ 0 0 19 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.875 109.2 51.4 -61.6 -39.0 8.7 -18.8 4.7 83 82 A G H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 113.3 43.1 -65.8 -43.4 7.5 -20.4 7.9 84 83 A F H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.814 110.4 56.8 -75.5 -26.5 6.9 -23.8 6.3 85 84 A E H X S+ 0 0 80 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.915 107.3 49.2 -64.0 -41.7 10.2 -23.5 4.4 86 85 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 109.4 52.0 -64.3 -42.7 11.9 -23.1 7.8 87 86 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.925 110.4 48.8 -56.1 -45.2 10.0 -26.1 9.1 88 87 A Y H X S+ 0 0 61 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.929 109.7 51.7 -60.2 -47.1 11.2 -28.1 6.1 89 88 A R H < S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.6 43.9 -59.1 -40.5 14.8 -27.0 6.7 90 89 A L H >< S+ 0 0 2 -4,-2.3 3,-0.9 2,-0.2 -1,-0.2 0.900 111.0 52.3 -75.1 -41.2 14.7 -28.0 10.3 91 90 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 118.5 38.7 -63.2 -28.4 13.0 -31.4 9.7 92 91 A S T 3< S+ 0 0 29 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.382 85.7 136.7-101.1 4.2 15.6 -32.2 7.1 93 92 A Y < - 0 0 5 -3,-0.9 4,-0.1 -4,-0.2 -3,-0.1 -0.248 55.9-136.0 -59.8 133.9 18.5 -30.7 9.0 94 93 A P S S+ 0 0 58 0, 0.0 111,-0.3 0, 0.0 -1,-0.1 0.539 85.2 59.7 -72.0 -8.2 21.6 -32.9 8.9 95 94 A K S S- 0 0 20 109,-0.1 -46,-0.2 110,-0.1 -47,-0.1 -0.856 102.0 -87.1-114.4 155.2 22.4 -32.5 12.7 96 95 A P - 0 0 5 0, 0.0 -46,-2.6 0, 0.0 2,-0.5 -0.336 42.5-153.1 -57.8 139.5 20.1 -33.3 15.7 97 96 A V E -c 50 0A 0 -48,-0.2 20,-2.3 18,-0.1 21,-1.4 -0.982 9.5-168.9-121.3 123.7 17.7 -30.5 16.5 98 97 A V E -cd 51 118A 0 -48,-3.1 -46,-2.4 -2,-0.5 2,-0.5 -0.956 10.2-147.7-118.2 126.4 16.4 -30.1 20.0 99 98 A M E -cd 52 119A 0 19,-2.6 21,-2.5 -2,-0.5 2,-0.9 -0.810 1.9-157.1 -94.7 126.8 13.6 -27.7 20.9 100 99 A A E -cd 53 120A 0 -48,-3.2 2,-1.5 -2,-0.5 -46,-0.9 -0.857 10.9-158.2 -97.6 96.6 13.5 -25.9 24.2 101 100 A C E + d 0 121A 0 19,-2.9 21,-0.6 -2,-0.9 -42,-0.1 -0.626 18.3 173.7 -80.5 92.7 9.8 -25.1 24.6 102 101 A T - 0 0 17 -2,-1.5 2,-0.3 -44,-0.2 -1,-0.2 0.382 62.1 -13.6 -88.4 3.0 10.2 -22.3 27.1 103 102 A G S S- 0 0 1 23,-0.0 -45,-0.3 22,-0.0 -43,-0.1 -0.936 105.9 -21.3-175.7-166.1 6.6 -21.2 27.1 104 103 A H E -f 58 0B 71 -47,-0.8 -45,-2.9 -2,-0.3 -44,-1.3 -0.156 48.3-155.7 -57.7 149.2 3.3 -21.6 25.2 105 104 A A E -fg 60 127B 0 21,-2.8 23,-1.8 -46,-0.2 2,-0.4 -0.932 16.1-177.0-131.1 106.1 3.5 -22.8 21.5 106 105 A I E > - 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0 0 70 22,-2.4 4,-2.9 -2,-0.2 5,-0.2 -0.187 39.6-100.1 -59.6 161.8 -1.0 -40.1 17.6 152 151 A R H > S+ 0 0 228 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.921 122.6 39.3 -53.1 -49.5 -3.9 -40.8 15.3 153 152 A S H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 115.1 51.5 -71.4 -37.1 -6.6 -39.8 17.8 154 153 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 107.3 55.4 -63.3 -39.5 -4.7 -36.8 19.2 155 154 A Y H X S+ 0 0 38 -4,-2.9 4,-1.5 1,-0.2 5,-0.3 0.899 104.6 53.9 -59.0 -41.4 -4.2 -35.6 15.6 156 155 A Q H X>S+ 0 0 124 -4,-1.5 4,-1.2 -5,-0.2 5,-0.6 0.934 115.2 37.8 -59.0 -47.4 -8.0 -35.7 15.1 157 156 A Q H X5S+ 0 0 83 -4,-1.7 6,-2.0 1,-0.2 4,-0.7 0.839 111.2 58.6 -77.9 -31.7 -8.7 -33.5 18.1 158 157 A A H <5S+ 0 0 0 -4,-2.8 -29,-0.3 4,-0.2 -1,-0.2 0.813 117.6 32.5 -63.0 -31.9 -5.7 -31.2 17.6 159 158 A T H ><5S+ 0 0 18 -4,-1.5 3,-0.9 -5,-0.2 -27,-0.4 0.927 126.1 29.9 -92.0 -74.8 -6.9 -30.2 14.2 160 159 A G H 3<5S+ 0 0 45 -4,-1.2 -3,-0.2 -5,-0.3 -2,-0.1 0.778 132.8 34.0 -61.2 -28.6 -10.7 -30.2 13.9 161 160 A L T 3<> - 0 0 92 -2,-0.3 3,-1.5 -40,-0.2 4,-1.1 -0.965 50.1 -18.8-164.9 154.1 0.0 -29.7 27.9 167 166 A G H 3> S+ 0 0 5 -45,-0.5 4,-2.1 -42,-0.4 3,-0.2 -0.093 128.6 5.0 52.4-128.7 2.2 -31.7 30.3 168 167 A E H 3> S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.834 134.1 52.6 -60.5 -36.0 1.2 -35.3 30.4 169 168 A T H <> S+ 0 0 60 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.878 109.6 48.9 -70.2 -35.8 -1.4 -35.0 27.7 170 169 A A H X>S+ 0 0 0 -4,-1.1 5,-2.2 -3,-0.2 4,-1.3 0.858 111.9 49.8 -66.3 -38.4 1.1 -33.4 25.3 171 170 A L H <5S+ 0 0 64 -4,-2.1 3,-0.5 4,-0.2 -2,-0.2 0.962 113.8 44.4 -64.5 -49.9 3.6 -36.1 26.1 172 171 A A H <5S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 114.3 50.4 -61.2 -37.6 1.0 -38.9 25.4 173 172 A A H <5S- 0 0 6 -4,-2.0 -22,-2.4 -5,-0.2 -1,-0.2 0.725 114.1-114.2 -74.5 -24.3 -0.3 -37.1 22.3 174 173 A G T <5S+ 0 0 14 -4,-1.3 -3,-0.2 -3,-0.5 -4,-0.1 0.655 82.4 120.9 93.8 18.1 3.2 -36.7 20.8 175 174 A F S > - 0 0 124 -2,-0.3 3,-2.1 -59,-0.2 4,-0.7 -0.407 46.7-111.7 -67.2 149.2 10.5 -27.9 35.4 182 181 A P G >4 S+ 0 0 72 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.863 114.8 57.2 -50.8 -41.7 10.5 -24.5 33.8 183 182 A E G 34 S+ 0 0 115 1,-0.3 4,-0.2 2,-0.1 -2,-0.0 0.588 114.4 37.9 -70.7 -11.5 13.9 -23.5 35.2 184 183 A V G <> S+ 0 0 35 -3,-2.1 4,-3.0 2,-0.1 5,-0.3 0.336 82.4 101.6-120.9 5.7 15.6 -26.5 33.6 185 184 A V H S+ 0 0 50 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.936 114.6 50.6 -64.7 -44.5 16.8 -25.1 28.4 187 186 A S H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.917 110.8 48.9 -60.0 -42.4 19.4 -27.1 30.4 188 187 A R H X S+ 0 0 91 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.873 110.7 51.6 -63.8 -37.1 17.6 -30.4 29.6 189 188 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.921 111.3 46.5 -64.3 -45.2 17.5 -29.4 25.9 190 189 A E H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.877 111.1 52.8 -66.0 -38.4 21.2 -28.6 25.9 191 190 A E H X S+ 0 0 117 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.928 110.9 46.1 -62.3 -46.8 22.0 -31.9 27.7 192 191 A A H X S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.926 111.0 53.3 -62.7 -43.3 20.0 -33.9 25.1 193 192 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.899 107.2 51.3 -58.5 -42.8 21.7 -32.0 22.2 194 193 A R H < S+ 0 0 88 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.899 111.3 48.7 -63.9 -37.6 25.1 -32.9 23.6 195 194 A E H >< S+ 0 0 79 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.928 110.0 50.2 -65.0 -46.3 24.1 -36.5 23.8 196 195 A F H >< S+ 0 0 56 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.769 97.7 67.5 -67.8 -25.5 22.7 -36.6 20.3 197 196 A A T 3< S+ 0 0 31 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.714 92.5 64.2 -64.5 -17.7 25.9 -35.0 18.9 198 197 A G T < S+ 0 0 70 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.627 83.6 94.0 -80.2 -15.6 27.5 -38.3 20.0 199 198 A L S < S- 0 0 97 -3,-1.5 2,-0.5 -4,-0.3 3,-0.1 -0.348 99.4 -86.3 -68.8 158.4 25.4 -40.3 17.4 200 199 A N > - 0 0 106 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.577 39.0-150.7 -68.6 119.4 27.0 -40.9 14.0 201 200 A Q H > S+ 0 0 86 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.921 90.9 50.7 -61.8 -47.7 26.1 -37.8 12.0 202 201 A H H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 115.2 43.5 -56.5 -45.6 26.0 -39.4 8.6 203 202 A A H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.877 113.3 51.6 -69.4 -39.8 23.7 -42.1 9.8 204 203 A H H X S+ 0 0 32 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.948 112.0 46.6 -59.3 -49.1 21.5 -39.7 11.8 205 204 A A H X S+ 0 0 16 -4,-2.9 4,-1.3 -111,-0.3 -2,-0.2 0.912 116.6 42.9 -62.0 -45.6 21.1 -37.4 8.7 206 205 A A H X S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.905 116.3 47.6 -68.7 -42.0 20.3 -40.2 6.3 207 206 A T H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 107.2 54.3 -68.7 -43.9 18.0 -42.0 8.7 208 207 A K H < S+ 0 0 7 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.893 108.5 51.0 -59.8 -37.4 16.0 -39.0 9.8 209 208 A L H >< S+ 0 0 72 -4,-1.3 3,-1.0 -5,-0.2 4,-0.3 0.916 109.8 49.1 -65.8 -42.8 15.2 -38.2 6.1 210 209 A R H >< S+ 0 0 211 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.888 109.3 52.9 -61.7 -37.1 14.0 -41.8 5.5 211 210 A S T 3< S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.572 120.1 34.1 -76.0 -7.2 11.8 -41.6 8.6 212 211 A R T <> S+ 0 0 22 -3,-1.0 4,-2.9 -4,-0.5 5,-0.3 0.169 80.7 118.5-128.8 12.9 10.2 -38.4 7.2 213 212 A A H <> S+ 0 0 47 -3,-0.9 4,-2.2 -4,-0.3 5,-0.2 0.892 79.5 41.3 -55.3 -51.0 10.3 -39.0 3.4 214 213 A D H > S+ 0 0 142 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.888 116.1 50.2 -66.6 -41.3 6.5 -38.8 2.8 215 214 A A H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 110.1 49.9 -61.8 -45.2 6.0 -35.9 5.1 216 215 A L H X S+ 0 0 10 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.928 111.5 48.5 -63.3 -43.8 8.8 -33.9 3.5 217 216 A T H X S+ 0 0 103 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.920 114.3 46.0 -59.2 -45.1 7.4 -34.5 0.0 218 217 A A H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.838 109.8 54.7 -68.8 -33.8 3.9 -33.5 1.2 219 218 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.912 106.2 51.8 -66.2 -41.3 5.3 -30.4 2.9 220 219 A R H X S+ 0 0 77 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.937 111.8 46.6 -58.2 -46.1 7.0 -29.3 -0.3 221 220 A A H X S+ 0 0 62 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.894 111.2 52.9 -60.3 -40.6 3.6 -29.7 -2.1 222 221 A G H < S+ 0 0 5 -4,-2.3 4,-0.3 2,-0.2 -81,-0.3 0.866 106.7 51.5 -65.6 -38.1 2.0 -27.8 0.8 223 222 A I H >< S+ 0 0 5 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.933 111.5 46.8 -62.3 -45.6 4.4 -24.9 0.5 224 223 A D H 3< S+ 0 0 119 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.636 111.1 55.8 -72.1 -11.2 3.7 -24.7 -3.3 225 224 A G T 3X S+ 0 0 24 -4,-0.8 4,-1.2 -3,-0.2 -1,-0.2 0.410 77.3 94.6 -99.1 0.3 -0.0 -24.9 -2.4 226 225 A I H X> S+ 0 0 0 -3,-1.3 4,-1.3 -4,-0.3 3,-1.1 0.946 81.5 54.9 -58.1 -49.1 -0.1 -21.9 0.0 227 226 A A H >4 S+ 0 0 47 -4,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.909 104.0 55.1 -49.3 -48.1 -1.2 -19.5 -2.7 228 227 A A H 34 S+ 0 0 90 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.813 99.8 61.5 -56.6 -33.2 -4.2 -21.7 -3.5 229 228 A E H << 0 0 70 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.914 360.0 360.0 -61.1 -43.3 -5.2 -21.5 0.2 230 229 A F << 0 0 102 -4,-1.3 -3,-0.1 -3,-0.6 -157,-0.0 0.412 360.0 360.0 -79.3 360.0 -5.6 -17.7 -0.2