==== 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 4FNB . 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) . 10299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 75.4 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 . 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 . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 39.7 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 3 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 70 0, 0.0 3,-0.3 0, 0.0 21,-0.3 0.000 360.0 360.0 360.0 171.7 -38.1 -7.2 25.6 2 1 A M + 0 0 97 1,-0.2 20,-0.1 19,-0.2 19,-0.1 0.833 360.0 39.1 -63.0 -33.5 -37.4 -9.5 22.6 3 2 A S S S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 18,-0.1 0.650 126.6 36.3 -91.1 -16.1 -40.0 -7.8 20.4 4 3 A D S S+ 0 0 113 -3,-0.3 -1,-0.2 16,-0.1 -2,-0.1 -0.628 73.3 156.2-133.3 70.8 -39.1 -4.3 21.6 5 4 A P + 0 0 9 0, 0.0 15,-2.9 0, 0.0 2,-0.4 0.499 51.9 55.2 -86.6 -5.2 -35.3 -4.5 22.2 6 5 A V E -A 19 0A 21 13,-0.2 2,-0.4 15,-0.1 13,-0.2 -0.984 55.6-166.6-133.2 136.7 -34.2 -0.8 21.9 7 6 A S E -A 18 0A 58 11,-2.2 11,-2.4 -2,-0.4 2,-0.5 -0.928 7.4-155.9-118.2 151.0 -35.2 2.4 23.6 8 7 A Y E +A 17 0A 49 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.990 14.5 176.3-126.5 123.8 -34.3 5.9 22.5 9 8 A T E -A 16 0A 67 7,-2.4 7,-3.1 -2,-0.5 2,-0.5 -0.985 19.9-145.7-133.5 125.4 -34.2 8.8 25.0 10 9 A R E -A 15 0A 138 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.772 15.4-178.1 -90.2 127.5 -33.2 12.3 24.4 11 10 A K E > -A 14 0A 77 3,-2.2 3,-2.8 -2,-0.5 -2,-0.0 -0.926 54.9 -77.9-123.9 103.6 -31.4 14.1 27.2 12 11 A D T 3 S+ 0 0 107 -2,-0.5 36,-0.1 1,-0.3 -1,-0.1 -0.168 119.0 3.6 43.6-107.4 -30.6 17.7 26.3 13 12 A S T 3 S+ 0 0 49 34,-0.1 35,-1.7 -3,-0.1 36,-0.9 0.399 128.4 56.8 -90.6 2.4 -27.6 17.6 24.1 14 13 A I E < -Ab 11 49A 0 -3,-2.8 -3,-2.2 34,-0.2 2,-0.4 -0.822 65.4-141.7-126.9 166.2 -27.3 13.8 23.9 15 14 A A E -Ab 10 50A 0 34,-1.9 36,-2.7 -2,-0.3 2,-0.5 -0.992 14.4-150.2-125.8 140.8 -29.4 10.8 22.9 16 15 A V E -Ab 9 51A 6 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.5 -0.957 8.5-169.2-115.8 119.4 -29.3 7.6 24.8 17 16 A I E -Ab 8 52A 0 34,-3.3 36,-2.6 -2,-0.5 2,-0.5 -0.943 10.7-167.4-109.3 119.6 -29.9 4.3 22.9 18 17 A S E -Ab 7 53A 31 -11,-2.4 -11,-2.2 -2,-0.5 2,-0.5 -0.945 11.3-150.8-119.0 127.1 -30.4 1.3 25.2 19 18 A M E +A 6 0A 0 34,-2.4 -13,-0.2 -2,-0.5 2,-0.1 -0.810 30.3 149.3 -92.1 125.9 -30.4 -2.3 24.2 20 19 A D + 0 0 78 -15,-2.9 -16,-0.1 -2,-0.5 4,-0.1 -0.589 10.6 164.7-154.7 93.1 -32.5 -4.7 26.3 21 20 A D - 0 0 7 -2,-0.1 -19,-0.2 -19,-0.1 3,-0.2 0.236 66.1-105.2 -87.9 14.1 -34.0 -7.7 24.6 22 21 A G S S+ 0 0 59 -21,-0.3 2,-0.1 1,-0.3 -20,-0.1 0.469 103.3 42.9 75.9 4.0 -34.6 -9.2 28.1 23 22 A K S S- 0 0 118 -22,-0.1 -1,-0.3 3,-0.0 35,-0.2 -0.042 124.7 -32.5-141.0-118.5 -31.8 -11.6 27.5 24 23 A V S S- 0 0 43 -3,-0.2 37,-2.9 33,-0.1 38,-0.3 0.104 74.9-111.8-108.6 24.9 -28.3 -11.1 26.1 25 24 A N - 0 0 0 35,-0.2 37,-0.4 1,-0.2 -6,-0.0 0.894 41.7-161.7 52.1 45.5 -29.0 -8.4 23.5 26 25 A A - 0 0 19 35,-0.1 2,-1.5 1,-0.1 37,-0.2 -0.345 18.9-127.2 -60.4 136.8 -28.3 -10.7 20.6 27 26 A L + 0 0 3 35,-3.1 37,-0.2 4,-0.1 -1,-0.1 -0.384 54.8 145.8 -89.5 59.0 -27.7 -8.7 17.4 28 27 A G > - 0 0 5 -2,-1.5 4,-2.9 35,-0.2 5,-0.2 -0.166 67.7 -81.1 -79.4-177.9 -30.2 -10.4 15.2 29 28 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.846 128.9 49.3 -54.3 -43.8 -32.3 -8.7 12.4 30 29 A A H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.887 113.4 46.6 -68.8 -38.8 -34.9 -7.3 14.7 31 30 A M H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 112.7 49.4 -66.8 -45.0 -32.2 -5.8 17.0 32 31 A Q H X S+ 0 0 16 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.920 111.7 49.4 -60.5 -42.3 -30.2 -4.4 14.1 33 32 A Q H X S+ 0 0 143 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.934 112.1 47.6 -61.8 -46.8 -33.4 -2.8 12.7 34 33 A A H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.909 112.9 48.8 -61.9 -42.7 -34.3 -1.3 16.0 35 34 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.917 111.6 48.8 -63.5 -43.6 -30.8 0.1 16.5 36 35 A N H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 111.5 50.0 -65.3 -35.6 -30.7 1.5 12.9 37 36 A A H X S+ 0 0 47 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.868 110.1 50.8 -69.4 -36.1 -34.1 3.1 13.6 38 37 A A H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.900 110.8 47.7 -65.9 -43.4 -32.8 4.6 16.9 39 38 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.874 107.5 57.0 -64.4 -36.7 -29.8 6.1 15.1 40 39 A D H X S+ 0 0 65 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 105.7 51.8 -56.3 -41.7 -32.2 7.4 12.5 41 40 A N H X S+ 0 0 49 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.904 107.9 50.1 -59.7 -45.2 -33.9 9.2 15.4 42 41 A A H X>S+ 0 0 0 -4,-1.9 5,-1.3 1,-0.2 4,-0.9 0.895 109.3 53.0 -61.7 -38.4 -30.6 10.7 16.5 43 42 A D H <5S+ 0 0 76 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.910 111.6 44.7 -61.0 -46.2 -30.0 11.8 12.9 44 43 A R H <5S+ 0 0 169 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.0 47.7 -65.9 -39.6 -33.4 13.6 12.8 45 44 A D H <5S- 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.561 98.9-142.1 -79.0 -11.2 -32.9 15.2 16.2 46 45 A D T <5 - 0 0 115 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.913 29.3-168.6 49.7 55.2 -29.4 16.3 15.3 47 46 A V < - 0 0 4 -5,-1.3 -33,-0.2 1,-0.1 -34,-0.1 -0.239 29.9-123.9 -76.0 162.1 -28.1 15.5 18.8 48 47 A G S S- 0 0 25 -35,-1.7 2,-0.3 1,-0.2 -34,-0.2 0.782 87.4 -4.3 -77.3 -28.0 -24.7 16.6 20.1 49 48 A A E -b 14 0A 0 -36,-0.9 -34,-1.9 46,-0.2 2,-0.4 -0.981 64.3-127.1-163.9 157.8 -23.6 13.0 21.0 50 49 A L E -bc 15 97A 0 46,-2.9 48,-3.4 -2,-0.3 2,-0.5 -0.883 12.6-165.9-112.6 135.1 -24.8 9.4 21.1 51 50 A V E -bc 16 98A 0 -36,-2.7 -34,-3.3 -2,-0.4 2,-0.5 -0.989 6.0-167.8-115.5 131.9 -24.7 7.0 24.0 52 51 A I E +bc 17 99A 2 46,-2.5 48,-3.4 -2,-0.5 2,-0.3 -0.983 11.9 179.8-119.5 125.3 -25.3 3.3 23.4 53 52 A T E -bc 18 100A 6 -36,-2.6 -34,-2.4 -2,-0.5 48,-0.2 -0.791 19.4-146.7-118.3 161.2 -25.9 1.0 26.4 54 53 A G - 0 0 5 46,-1.0 5,-0.3 -2,-0.3 2,-0.1 -0.038 37.9 -90.0 -96.6-150.8 -26.6 -2.7 27.0 55 54 A N - 0 0 19 3,-2.3 -1,-0.2 4,-0.1 -35,-0.1 -0.345 47.5 -80.2-111.5-163.1 -28.7 -4.0 29.8 56 55 A G S S+ 0 0 82 1,-0.2 3,-0.1 -2,-0.1 -36,-0.1 0.651 127.4 42.3 -76.5 -13.5 -28.0 -5.1 33.4 57 56 A R S S- 0 0 163 1,-0.3 47,-0.8 -34,-0.2 2,-0.3 0.832 124.1 -8.5 -99.1 -43.5 -26.7 -8.5 32.3 58 57 A V E -f 104 0B 10 45,-0.3 -3,-2.3 -35,-0.2 -1,-0.3 -0.945 41.4-134.1-144.8 164.1 -24.6 -7.7 29.1 59 58 A F E S- 0 0 0 45,-2.6 2,-0.3 -2,-0.3 46,-0.2 0.869 94.1 -42.6 -74.0 -63.1 -23.5 -5.1 26.6 60 59 A S E -f 105 0B 0 44,-1.5 46,-2.2 43,-0.1 -1,-0.2 -0.895 34.4-145.1-166.9 137.7 -24.2 -7.8 24.0 61 60 A G - 0 0 31 -37,-2.9 47,-0.2 1,-0.3 -35,-0.1 0.300 58.1-123.5 -82.7 7.8 -23.6 -11.5 23.5 62 61 A G + 0 0 0 -37,-0.4 -35,-3.1 -38,-0.3 -1,-0.3 -0.450 63.2 10.2 91.9-159.7 -23.1 -10.8 19.7 63 62 A F S S- 0 0 24 -37,-0.2 2,-0.5 1,-0.1 -35,-0.2 -0.199 90.2 -89.2 -56.5 150.9 -24.9 -12.2 16.7 64 63 A D > - 0 0 24 -37,-0.2 4,-1.7 1,-0.2 3,-0.4 -0.486 33.6-155.4 -67.3 111.9 -28.0 -14.3 17.3 65 64 A L H > S+ 0 0 123 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.822 89.1 61.6 -59.6 -34.6 -26.8 -17.9 17.7 66 65 A K H 4 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.923 106.7 43.7 -59.9 -47.2 -30.1 -19.3 16.6 67 66 A I H >4 S+ 0 0 35 -3,-0.4 3,-1.0 1,-0.2 5,-0.3 0.883 113.8 52.3 -65.7 -37.1 -29.9 -17.7 13.1 68 67 A L H 3< S+ 0 0 64 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.853 116.1 37.9 -67.1 -36.4 -26.3 -18.7 12.8 69 68 A T T 3< S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.019 87.4 101.3-105.1 25.8 -26.9 -22.4 13.6 70 69 A S S < S- 0 0 69 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.1 0.580 89.2-119.1 -89.5 -10.7 -30.2 -22.8 11.7 71 70 A G S S+ 0 0 76 -3,-0.3 2,-0.7 1,-0.2 -3,-0.1 0.411 82.2 113.6 84.9 -2.5 -28.8 -24.5 8.6 72 71 A E > - 0 0 44 -5,-0.3 4,-1.0 1,-0.2 -2,-0.2 -0.889 48.5-168.3-106.2 108.0 -30.0 -21.6 6.5 73 72 A V H > S+ 0 0 81 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.861 75.1 57.2 -65.5 -41.4 -27.0 -19.8 5.0 74 73 A Q H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 105.2 47.2 -67.3 -45.3 -28.6 -16.6 3.6 75 74 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.851 112.7 54.0 -60.1 -34.5 -30.2 -15.2 6.7 76 75 A A H X S+ 0 0 14 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.933 111.0 43.4 -64.8 -47.1 -26.9 -15.9 8.5 77 76 A I H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.878 113.0 51.7 -67.4 -39.9 -24.9 -13.9 5.9 78 77 A D H X S+ 0 0 84 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.880 110.2 50.3 -61.8 -40.2 -27.5 -11.1 5.8 79 78 A M H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.932 111.8 47.1 -65.0 -45.4 -27.3 -10.8 9.6 80 79 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.955 113.2 48.7 -59.3 -50.9 -23.5 -10.7 9.5 81 80 A R H X S+ 0 0 75 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.923 111.8 49.1 -54.5 -47.7 -23.5 -8.1 6.8 82 81 A G H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.877 110.1 52.0 -62.5 -37.0 -26.1 -6.0 8.7 83 82 A G H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.929 112.5 43.3 -66.2 -45.2 -24.1 -6.2 11.9 84 83 A F H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.837 110.6 56.7 -73.2 -28.6 -20.9 -5.0 10.2 85 84 A E H X S+ 0 0 70 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.911 106.5 50.3 -62.5 -43.0 -22.8 -2.3 8.4 86 85 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.900 109.1 51.7 -60.2 -42.5 -24.0 -1.0 11.7 87 86 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.927 110.4 48.4 -58.7 -46.0 -20.4 -1.0 13.0 88 87 A Y H X S+ 0 0 59 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.923 109.1 53.8 -61.8 -44.1 -19.4 0.9 9.9 89 88 A R H < S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 112.5 43.4 -56.6 -41.8 -22.2 3.4 10.5 90 89 A L H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.905 111.0 53.3 -74.6 -41.2 -21.1 4.0 14.1 91 90 A L H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.772 117.2 38.8 -62.4 -28.6 -17.4 4.3 13.3 92 91 A S T 3< S+ 0 0 32 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.325 85.3 135.5-103.5 5.6 -18.1 6.9 10.6 93 92 A Y < - 0 0 6 -3,-1.0 4,-0.1 -4,-0.1 -3,-0.1 -0.290 55.9-137.1 -60.7 136.4 -20.8 8.7 12.6 94 93 A P S S+ 0 0 58 0, 0.0 111,-0.3 0, 0.0 -1,-0.1 0.537 84.5 61.2 -78.4 -5.5 -20.4 12.5 12.5 95 94 A K S S- 0 0 17 109,-0.1 -46,-0.2 110,-0.1 -47,-0.1 -0.843 102.3 -86.8-113.2 155.9 -21.2 13.0 16.2 96 95 A P - 0 0 5 0, 0.0 -46,-2.9 0, 0.0 2,-0.5 -0.372 42.0-153.5 -57.9 134.4 -19.2 11.5 19.2 97 96 A V E -c 50 0A 0 -48,-0.2 21,-1.7 -4,-0.1 20,-1.7 -0.964 8.9-168.0-115.4 123.6 -20.4 8.0 20.1 98 97 A V E -cd 51 118A 0 -48,-3.4 -46,-2.5 -2,-0.5 2,-0.5 -0.948 9.5-148.3-116.1 127.1 -20.0 6.8 23.6 99 98 A M E -cd 52 119A 0 19,-2.8 21,-2.8 -2,-0.5 2,-0.9 -0.811 2.1-157.3 -96.0 127.6 -20.5 3.1 24.5 100 99 A A E -cd 53 120A 0 -48,-3.4 2,-1.4 -2,-0.5 -46,-1.0 -0.873 10.6-159.5-100.7 97.0 -21.8 2.2 28.0 101 100 A C E + d 0 121A 0 19,-3.2 21,-0.6 -2,-0.9 -42,-0.1 -0.660 17.7 173.3 -82.1 92.6 -20.5 -1.3 28.3 102 101 A T - 0 0 16 -2,-1.4 2,-0.3 -44,-0.2 -1,-0.2 0.317 62.4 -12.9 -91.1 5.4 -23.0 -2.4 31.0 103 102 A G S S- 0 0 2 23,-0.1 -45,-0.3 19,-0.0 -43,-0.1 -0.938 106.2 -21.8-175.3-164.1 -22.0 -6.1 31.0 104 103 A H E -f 58 0B 71 -47,-0.8 -45,-2.6 -2,-0.3 -44,-1.5 -0.145 47.3-156.3 -58.6 151.2 -20.0 -8.6 29.0 105 104 A A E +fg 60 127B 0 21,-2.8 23,-1.9 -46,-0.2 2,-0.4 -0.931 18.0 180.0-133.7 107.4 -19.3 -7.9 25.3 106 105 A I E > - 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0 0 69 22,-2.5 4,-2.7 -2,-0.2 5,-0.2 -0.234 41.0-100.1 -61.2 163.1 -2.4 -2.7 20.6 152 151 A R H > S+ 0 0 236 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.907 123.4 40.6 -54.5 -45.9 -0.2 -4.8 18.3 153 152 A S H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.847 114.0 52.1 -75.7 -33.3 0.2 -7.6 20.9 154 153 A A H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.888 106.7 55.6 -66.3 -36.5 -3.4 -7.5 22.2 155 154 A Y H X S+ 0 0 35 -4,-2.7 4,-1.5 2,-0.2 5,-0.3 0.922 106.6 50.2 -62.7 -45.0 -4.6 -7.8 18.6 156 155 A Q H X>S+ 0 0 122 -4,-1.6 4,-1.1 -5,-0.2 5,-0.7 0.961 117.3 38.8 -55.9 -51.4 -2.6 -11.0 18.2 157 156 A Q H X5S+ 0 0 81 -4,-2.0 6,-1.9 1,-0.2 4,-0.9 0.885 112.3 55.3 -72.0 -36.8 -3.9 -12.6 21.3 158 157 A A H <5S+ 0 0 0 -4,-3.2 -29,-0.3 4,-0.2 -1,-0.2 0.824 119.7 32.2 -64.7 -30.6 -7.5 -11.3 21.0 159 158 A T H ><5S+ 0 0 15 -4,-1.5 3,-1.1 -5,-0.2 -27,-0.3 0.929 127.4 30.0 -91.3 -76.2 -7.8 -12.9 17.5 160 159 A G H 3<5S+ 0 0 46 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.783 132.1 35.2 -56.4 -33.1 -5.7 -16.1 17.3 161 160 A L T 3<> - 0 0 93 -2,-0.3 3,-1.6 -40,-0.2 4,-1.0 -0.960 50.3 -23.9-163.2 152.8 -11.5 -7.1 31.3 167 166 A G H 3> S+ 0 0 3 -45,-0.6 4,-2.3 -42,-0.5 5,-0.2 -0.082 129.4 8.4 50.0-123.8 -10.9 -3.9 33.4 168 167 A E H 3> S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.845 133.7 51.0 -62.5 -35.3 -7.2 -2.9 33.5 169 168 A T H <> S+ 0 0 57 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.873 111.4 48.1 -71.2 -35.1 -6.2 -5.5 30.9 170 169 A A H X>S+ 0 0 0 -4,-1.0 5,-2.5 2,-0.2 4,-1.5 0.877 112.7 49.2 -66.3 -39.6 -9.0 -4.3 28.5 171 170 A L H <5S+ 0 0 61 -4,-2.3 3,-0.2 4,-0.2 -2,-0.2 0.937 112.9 46.2 -66.3 -46.6 -7.9 -0.7 29.1 172 171 A A H <5S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.3 49.0 -61.7 -42.3 -4.3 -1.5 28.4 173 172 A A H <5S- 0 0 5 -4,-2.1 -22,-2.5 -5,-0.2 -1,-0.2 0.749 115.0-111.5 -69.4 -27.3 -5.2 -3.5 25.3 174 173 A G T <5S+ 0 0 12 -4,-1.5 -3,-0.2 2,-0.3 -4,-0.1 0.660 84.7 119.0 95.9 19.3 -7.5 -0.9 23.7 175 174 A F S > - 0 0 109 -2,-0.3 3,-2.3 -59,-0.2 4,-0.6 -0.388 47.1-109.5 -66.1 148.8 -18.0 1.0 38.9 182 181 A P G >4 S+ 0 0 47 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.836 115.5 57.0 -48.5 -41.9 -21.0 -0.9 37.5 183 182 A E G 34 S+ 0 0 154 1,-0.3 4,-0.2 2,-0.1 -2,-0.1 0.552 114.7 36.8 -73.5 -9.3 -23.6 1.5 39.1 184 183 A V G <> S+ 0 0 41 -3,-2.3 4,-3.0 2,-0.1 5,-0.3 0.278 82.6 103.3-124.9 10.3 -22.2 4.6 37.3 185 184 A V H S+ 0 0 50 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.948 116.0 49.6 -66.5 -46.7 -24.2 4.7 32.2 187 186 A S H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 111.6 48.7 -57.0 -42.8 -23.9 7.9 34.1 188 187 A R H X S+ 0 0 94 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.889 110.4 51.4 -65.4 -39.5 -20.2 8.3 33.3 189 188 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.886 111.2 47.8 -63.1 -41.3 -20.9 7.5 29.6 190 189 A E H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 111.1 50.7 -65.4 -44.3 -23.6 10.2 29.5 191 190 A E H X S+ 0 0 104 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.914 112.1 47.5 -59.9 -43.7 -21.3 12.7 31.3 192 191 A A H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.932 110.2 52.1 -62.5 -45.9 -18.6 12.0 28.7 193 192 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.908 107.7 52.3 -58.9 -43.2 -21.0 12.3 25.8 194 193 A R H < S+ 0 0 96 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.894 110.6 48.6 -59.4 -40.3 -22.1 15.7 27.1 195 194 A E H >< S+ 0 0 135 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.935 110.5 49.3 -62.7 -47.3 -18.5 16.8 27.2 196 195 A F H >< S+ 0 0 43 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.771 99.1 67.0 -68.2 -25.1 -17.7 15.6 23.7 197 196 A A T 3< S+ 0 0 30 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.710 94.2 61.5 -65.3 -19.7 -20.8 17.4 22.4 198 197 A G T < S+ 0 0 69 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.584 83.8 97.1 -82.4 -12.5 -18.9 20.5 23.4 199 198 A L S < S- 0 0 95 -3,-1.3 2,-0.5 -4,-0.3 3,-0.1 -0.332 99.5 -86.3 -64.9 157.7 -16.1 19.7 20.9 200 199 A N > - 0 0 105 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.606 41.6-151.5 -66.7 119.2 -16.4 21.4 17.5 201 200 A Q H > S+ 0 0 64 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.899 89.9 48.4 -65.3 -44.8 -18.7 19.0 15.6 202 201 A H H > S+ 0 0 149 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 115.0 45.1 -60.9 -46.2 -17.4 19.7 12.1 203 202 A A H > S+ 0 0 49 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.908 113.9 51.2 -65.1 -41.3 -13.7 19.3 13.2 204 203 A H H X S+ 0 0 32 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.958 112.1 45.4 -56.8 -53.4 -14.6 16.2 15.1 205 204 A A H X S+ 0 0 16 -4,-2.9 4,-1.4 -111,-0.3 -2,-0.2 0.914 117.6 43.7 -60.3 -44.2 -16.4 14.6 12.1 206 205 A A H X S+ 0 0 48 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.936 115.5 48.0 -65.9 -45.4 -13.6 15.5 9.7 207 206 A T H X S+ 0 0 88 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.883 108.7 52.1 -68.2 -39.6 -10.8 14.5 12.0 208 207 A K H < S+ 0 0 9 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.891 109.7 51.0 -67.0 -34.9 -12.3 11.1 13.0 209 208 A L H >X S+ 0 0 75 -4,-1.4 3,-1.3 -5,-0.3 4,-1.3 0.930 110.0 48.7 -65.6 -44.9 -12.7 10.2 9.3 210 209 A R H 3< S+ 0 0 219 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.878 111.4 50.8 -58.5 -38.2 -9.1 11.1 8.6 211 210 A S T 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.485 123.7 29.3 -79.2 -1.6 -8.0 9.0 11.6 212 211 A R T <> S+ 0 0 21 -3,-1.3 4,-2.9 -4,-0.3 5,-0.2 0.356 80.9 111.3-136.1 -1.2 -10.0 6.0 10.4 213 212 A A H X S+ 0 0 46 -4,-1.3 4,-2.2 -3,-0.3 5,-0.2 0.877 82.6 46.9 -53.2 -46.3 -10.2 6.2 6.6 214 213 A D H > S+ 0 0 145 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.921 114.6 46.7 -63.4 -44.8 -8.0 3.2 5.9 215 214 A A H > S+ 0 0 10 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.904 110.3 53.6 -63.6 -42.8 -9.8 1.0 8.4 216 215 A L H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.914 109.7 47.7 -59.1 -43.4 -13.2 2.1 7.1 217 216 A T H X S+ 0 0 101 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.897 113.8 47.4 -63.8 -40.2 -12.2 1.1 3.5 218 217 A A H X S+ 0 0 28 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.888 112.6 49.2 -69.5 -39.4 -10.9 -2.2 4.8 219 218 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.909 109.0 53.1 -63.0 -44.7 -14.1 -2.8 6.8 220 219 A R H X S+ 0 0 62 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.908 109.3 48.9 -55.8 -43.1 -16.2 -1.9 3.7 221 220 A A H X S+ 0 0 62 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.893 110.4 51.4 -63.5 -39.3 -14.3 -4.5 1.8 222 221 A G H < S+ 0 0 6 -4,-1.9 -81,-0.3 2,-0.2 -2,-0.2 0.861 112.3 46.4 -66.7 -36.9 -14.9 -7.0 4.5 223 222 A I H >< S+ 0 0 1 -4,-2.5 3,-1.3 2,-0.2 4,-0.3 0.956 114.9 45.1 -67.1 -51.6 -18.6 -6.2 4.5 224 223 A D H 3< S+ 0 0 100 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.799 119.6 41.4 -67.4 -28.0 -18.9 -6.4 0.7 225 224 A G T >X S+ 0 0 30 -4,-2.2 4,-1.0 -5,-0.2 3,-0.5 0.286 80.3 110.2-101.3 10.9 -16.9 -9.6 0.5 226 225 A I H X> S+ 0 0 0 -3,-1.3 3,-0.9 1,-0.3 4,-0.7 0.887 76.9 52.7 -54.2 -42.9 -18.4 -11.3 3.5 227 226 A A H >4>S+ 0 0 21 -4,-0.3 5,-1.7 -3,-0.3 3,-1.2 0.878 102.5 60.7 -60.4 -37.9 -20.3 -13.9 1.3 228 227 A A H X45S+ 0 0 70 -3,-0.5 3,-1.1 1,-0.3 -1,-0.3 0.757 90.9 66.3 -64.0 -27.0 -17.0 -14.7 -0.3 229 228 A E H <<5S+ 0 0 65 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.847 109.9 39.1 -61.4 -30.1 -15.4 -15.8 3.0 230 229 A F T <<5S- 0 0 79 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.271 123.5-104.8-103.4 10.9 -18.0 -18.7 2.9 231 230 A G T < 5 0 0 68 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.897 360.0 360.0 69.9 43.1 -17.7 -19.3 -0.8 232 231 A L < 0 0 106 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.849 360.0 360.0-124.3 360.0 -21.0 -17.7 -1.9