==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-JUL-10 3O1N . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.H.LIGHT,G.MINASOV,L.SHUVALOVA,L.PAPAZISI,W.F.ANDERSON,CENT . 498 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.4 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 . 36 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 0 0 0 2 1 5 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 6 2 2 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 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A M 0 0 152 0, 0.0 197,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 123.2 -25.8 1.5 -34.5 2 2 A K - 0 0 143 195,-2.3 2,-0.3 165,-0.0 195,-0.0 -0.438 360.0-157.6 -75.0 142.8 -25.6 4.6 -36.6 3 3 A T - 0 0 41 195,-0.1 2,-0.5 -2,-0.1 9,-0.2 -0.765 12.4-129.9-108.2 168.0 -22.1 6.1 -36.9 4 4 A V E -A 11 0A 15 7,-2.3 7,-3.2 -2,-0.3 2,-0.5 -0.981 19.5-165.3-122.9 115.6 -21.3 9.7 -37.8 5 5 A T E -A 10 0A 79 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.908 7.3-179.2-106.7 123.9 -18.8 10.3 -40.7 6 6 A V E > S-A 9 0A 9 3,-2.3 3,-2.2 -2,-0.5 2,-0.6 -0.982 75.4 -31.8-130.0 119.5 -17.3 13.8 -41.0 7 7 A R T 3 S- 0 0 76 -2,-0.5 68,-0.1 1,-0.3 -2,-0.0 -0.686 127.1 -43.6 60.0-117.4 -15.0 14.1 -43.9 8 8 A D T 3 S+ 0 0 157 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.288 110.5 117.8-121.2 6.9 -13.8 10.5 -43.6 9 9 A L E < -A 6 0A 31 -3,-2.2 -3,-2.3 34,-0.1 2,-0.6 -0.618 55.4-147.8 -71.0 129.0 -13.5 10.4 -39.8 10 10 A V E > -A 5 0A 35 -2,-0.3 3,-0.7 -5,-0.2 2,-0.5 -0.903 7.6-161.9-107.5 110.9 -15.9 7.8 -38.3 11 11 A V E 3 S+A 4 0A 1 -7,-3.2 -7,-2.3 -2,-0.6 3,-0.1 -0.811 78.2 37.4 -89.0 125.7 -17.3 8.6 -34.9 12 12 A G T 3 S+ 0 0 39 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.537 101.6 80.5 108.2 11.2 -18.8 5.5 -33.3 13 13 A E S < S- 0 0 117 -3,-0.7 -1,-0.4 2,-0.2 -3,-0.1 -0.968 88.9 -9.6-137.7 154.4 -16.2 2.9 -34.5 14 14 A G S S- 0 0 49 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.174 112.0 -2.6 63.2-149.5 -12.8 2.0 -33.3 15 15 A A S S- 0 0 26 1,-0.1 -2,-0.2 -4,-0.0 -3,-0.2 -0.428 90.2 -86.3 -74.5 153.6 -11.0 4.1 -30.7 16 16 A P - 0 0 7 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.245 46.8-118.3 -58.6 147.3 -12.6 7.2 -29.3 17 17 A K E -b 223 0B 29 205,-2.1 207,-2.4 -3,-0.1 2,-0.5 -0.597 20.8-123.3 -91.6 151.0 -11.9 10.4 -31.3 18 18 A I E -b 224 0B 0 -2,-0.2 25,-2.5 205,-0.2 26,-2.3 -0.812 22.1-168.3-103.2 126.2 -10.1 13.4 -30.0 19 19 A I E -bc 225 44B 1 205,-2.8 207,-2.2 -2,-0.5 2,-0.3 -0.887 1.8-166.9-108.0 136.4 -11.7 16.9 -29.9 20 20 A V E - c 0 45B 0 24,-2.0 26,-3.1 -2,-0.4 2,-0.5 -0.941 16.2-132.9-119.2 154.2 -9.7 20.0 -29.2 21 21 A S E - c 0 46B 9 205,-0.4 2,-0.5 -2,-0.3 207,-0.2 -0.918 11.7-155.6-111.9 122.0 -11.2 23.4 -28.4 22 22 A L E - c 0 47B 0 24,-3.2 26,-2.6 -2,-0.5 2,-0.5 -0.839 13.5-173.2 -96.9 124.3 -9.9 26.6 -30.2 23 23 A M + 0 0 38 -2,-0.5 2,-0.3 24,-0.2 26,-0.1 -0.980 13.6 154.8-123.8 125.9 -10.5 29.8 -28.3 24 24 A G - 0 0 4 -2,-0.5 29,-0.1 24,-0.5 6,-0.1 -0.979 32.1-155.7-149.0 141.8 -9.8 33.2 -29.7 25 25 A K S S+ 0 0 138 -2,-0.3 28,-2.7 27,-0.2 29,-0.5 0.849 81.5 24.3 -83.5 -39.2 -11.2 36.6 -28.9 26 26 A T S > S- 0 0 65 26,-0.2 4,-2.6 27,-0.1 5,-0.2 -0.776 86.9-101.9-120.8 170.1 -10.4 38.3 -32.3 27 27 A I H > S+ 0 0 40 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 123.8 56.1 -57.9 -41.6 -9.8 37.2 -35.9 28 28 A T H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 109.4 44.4 -57.3 -46.4 -6.1 37.6 -35.2 29 29 A D H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.878 110.5 54.8 -64.6 -42.4 -6.2 35.2 -32.2 30 30 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.934 111.0 46.3 -56.7 -45.2 -8.3 32.7 -34.1 31 31 A K H X S+ 0 0 90 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.904 113.7 46.7 -66.0 -43.6 -5.6 32.7 -36.8 32 32 A S H X S+ 0 0 60 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.908 113.9 47.6 -69.8 -38.6 -2.7 32.3 -34.5 33 33 A E H X S+ 0 0 57 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.904 110.5 52.8 -64.0 -41.5 -4.4 29.6 -32.4 34 34 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.918 109.6 47.9 -61.7 -41.0 -5.3 27.7 -35.6 35 35 A L H < S+ 0 0 111 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.891 112.4 49.9 -65.9 -37.2 -1.7 27.8 -36.8 36 36 A A H < S+ 0 0 63 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.772 113.2 46.4 -71.0 -28.6 -0.6 26.6 -33.3 37 37 A Y H >< S+ 0 0 7 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.662 88.0 90.5 -84.3 -19.3 -3.1 23.8 -33.4 38 38 A R T 3< S+ 0 0 100 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.808 91.2 40.3 -51.1 -40.3 -2.2 22.7 -37.0 39 39 A E T 3 S+ 0 0 165 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.507 91.5 110.1 -91.6 -3.2 0.5 20.2 -36.0 40 40 A A S < S- 0 0 23 -3,-1.8 2,-1.1 -4,-0.1 188,-0.1 -0.360 75.7-113.3 -74.2 153.0 -1.3 18.7 -33.0 41 41 A D + 0 0 71 -2,-0.1 2,-0.3 187,-0.0 202,-0.2 -0.719 65.3 119.7 -91.2 99.5 -2.6 15.2 -33.0 42 42 A F - 0 0 1 -2,-1.1 -23,-0.2 1,-0.1 3,-0.1 -0.945 52.7-142.3-150.6 169.7 -6.4 15.4 -32.9 43 43 A D S S+ 0 0 23 -25,-2.5 2,-0.4 -2,-0.3 -24,-0.2 0.788 81.2 34.9-106.1 -37.5 -9.5 14.4 -34.9 44 44 A I E -c 19 0B 2 -26,-2.3 -24,-2.0 31,-0.2 2,-0.7 -0.986 64.6-145.1-129.9 130.1 -12.1 17.2 -34.6 45 45 A L E -cd 20 77B 2 31,-2.6 33,-2.9 -2,-0.4 2,-0.6 -0.874 15.1-162.2 -93.6 112.4 -11.5 21.0 -34.3 46 46 A E E -cd 21 78B 2 -26,-3.1 -24,-3.2 -2,-0.7 2,-0.7 -0.873 5.7-153.2 -92.3 119.0 -14.1 22.6 -32.0 47 47 A W E -cd 22 79B 0 31,-3.1 33,-2.5 -2,-0.6 2,-1.5 -0.858 8.0-147.6 -89.9 114.3 -14.3 26.4 -32.5 48 48 A R E > - d 0 80B 13 -26,-2.6 3,-1.7 -2,-0.7 -24,-0.5 -0.678 19.6-179.3 -84.1 88.6 -15.5 27.8 -29.2 49 49 A V G > + 0 0 0 31,-1.7 3,-1.7 -2,-1.5 32,-0.2 0.745 69.9 73.2 -65.1 -27.0 -17.4 30.7 -30.7 50 50 A D G 3 S+ 0 0 1 30,-0.8 -1,-0.3 1,-0.3 31,-0.1 0.734 91.6 58.6 -62.5 -22.2 -18.5 32.1 -27.3 51 51 A H G < S+ 0 0 41 -3,-1.7 2,-0.3 38,-0.1 -1,-0.3 0.674 84.5 100.2 -75.4 -17.1 -14.9 33.3 -26.8 52 52 A F X - 0 0 4 -3,-1.7 3,-0.8 -4,-0.3 -27,-0.2 -0.528 64.8-152.3 -75.4 125.9 -15.1 35.4 -30.0 53 53 A A T 3 S+ 0 0 64 -28,-2.7 2,-0.5 -2,-0.3 3,-0.4 0.907 89.6 52.6 -66.5 -40.9 -15.8 39.1 -29.1 54 54 A N T > + 0 0 84 -29,-0.5 3,-2.0 1,-0.2 7,-0.3 -0.107 65.0 133.9 -91.6 40.3 -17.6 39.9 -32.4 55 55 A V T < + 0 0 5 -3,-0.8 -1,-0.2 -2,-0.5 -2,-0.1 0.739 68.9 56.0 -65.4 -22.6 -20.2 37.2 -32.3 56 56 A T T 3 S+ 0 0 103 -3,-0.4 2,-0.7 1,-0.1 -1,-0.3 0.412 89.5 84.3 -89.4 0.5 -23.1 39.5 -33.2 57 57 A T X> - 0 0 60 -3,-2.0 4,-2.0 1,-0.2 3,-0.7 -0.881 65.3-162.1-104.8 105.7 -21.3 40.7 -36.4 58 58 A A H 3> S+ 0 0 77 -2,-0.7 4,-2.4 1,-0.3 5,-0.2 0.857 87.8 53.4 -58.0 -43.8 -22.2 38.1 -39.1 59 59 A E H 3> S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.872 109.7 49.7 -55.8 -41.8 -19.4 39.1 -41.4 60 60 A S H <> S+ 0 0 18 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.904 110.2 48.2 -68.1 -43.5 -16.8 38.7 -38.6 61 61 A V H X S+ 0 0 15 -4,-2.0 4,-2.5 -7,-0.3 5,-0.2 0.930 113.0 49.1 -62.5 -43.7 -17.9 35.3 -37.6 62 62 A L H X S+ 0 0 91 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.902 110.2 51.0 -63.7 -42.9 -17.9 34.1 -41.3 63 63 A E H X S+ 0 0 105 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.916 111.2 48.3 -61.0 -43.2 -14.4 35.6 -41.8 64 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 110.9 49.8 -65.6 -43.7 -13.1 33.7 -38.7 65 65 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 112.3 49.1 -59.9 -41.5 -14.7 30.4 -39.7 66 66 A G H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.892 108.0 53.8 -63.5 -39.2 -13.1 30.8 -43.1 67 67 A A H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.911 108.2 49.7 -62.3 -44.0 -9.7 31.6 -41.5 68 68 A I H X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.938 111.9 47.6 -60.3 -48.1 -9.9 28.4 -39.5 69 69 A R H < S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 109.9 54.1 -64.2 -31.3 -10.7 26.3 -42.6 70 70 A E H < S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.883 117.9 34.5 -68.9 -37.3 -7.9 28.0 -44.6 71 71 A I H < S+ 0 0 28 -4,-1.8 2,-0.8 1,-0.3 -2,-0.2 0.876 124.1 40.2 -87.0 -43.3 -5.3 27.1 -42.0 72 72 A I < + 0 0 4 -4,-3.0 3,-0.3 -5,-0.2 -1,-0.3 -0.871 69.8 163.2-110.0 95.7 -6.6 23.7 -40.8 73 73 A T + 0 0 83 -2,-0.8 -1,-0.1 -3,-0.2 -4,-0.1 0.573 63.7 50.4 -97.1 -9.4 -7.7 22.1 -44.0 74 74 A D S S+ 0 0 104 2,-0.1 -1,-0.2 -67,-0.0 -5,-0.0 0.128 90.0 83.1-120.9 14.7 -7.9 18.4 -43.1 75 75 A K S S- 0 0 42 -3,-0.3 -31,-0.2 -6,-0.1 -68,-0.1 -0.976 79.4-109.1-123.7 137.6 -10.0 18.3 -39.9 76 76 A P - 0 0 5 0, 0.0 -31,-2.6 0, 0.0 2,-0.5 -0.364 35.9-135.1 -55.9 138.9 -13.8 18.3 -39.4 77 77 A L E -d 45 0B 2 -33,-0.2 34,-2.1 32,-0.1 35,-1.8 -0.927 15.8-164.9-107.6 121.5 -14.9 21.7 -37.9 78 78 A L E -de 46 112B 1 -33,-2.9 -31,-3.1 -2,-0.5 2,-0.7 -0.920 10.9-148.9-104.2 122.9 -17.4 21.7 -35.0 79 79 A F E +de 47 113B 2 33,-2.7 35,-2.2 -2,-0.5 2,-0.5 -0.861 22.7 177.0 -96.5 116.3 -19.0 25.1 -34.4 80 80 A T E -d 48 0B 0 -33,-2.5 -31,-1.7 -2,-0.7 2,-0.8 -0.932 21.0-175.9-131.4 109.0 -19.8 25.5 -30.6 81 81 A F - 0 0 1 -2,-0.5 2,-0.7 33,-0.4 -33,-0.1 -0.907 20.7-157.3 -91.8 104.8 -21.3 28.6 -29.0 82 82 A R - 0 0 8 -2,-0.8 8,-0.6 5,-0.1 7,-0.4 -0.799 16.7-130.2 -85.6 116.6 -21.3 27.5 -25.3 83 83 A S B > > -i 90 0C 16 -2,-0.7 5,-2.8 5,-0.1 3,-0.9 -0.330 12.1-122.7 -64.1 148.6 -23.9 29.6 -23.5 84 84 A A G > 5S+ 0 0 46 6,-1.3 3,-1.8 3,-0.3 7,-0.1 0.862 114.2 65.5 -53.5 -35.4 -23.0 31.5 -20.3 85 85 A K G 3 5S+ 0 0 143 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.880 108.5 38.4 -56.0 -38.2 -25.9 29.5 -18.8 86 86 A E G < 5S- 0 0 12 -3,-0.9 -1,-0.3 58,-0.1 -2,-0.2 -0.018 136.9 -77.8-107.4 30.7 -23.8 26.3 -19.4 87 87 A G T < 5S+ 0 0 43 -3,-1.8 -3,-0.3 1,-0.2 -2,-0.1 0.559 86.7 133.1 95.9 8.5 -20.4 27.7 -18.5 88 88 A G < - 0 0 12 -5,-2.8 -1,-0.2 2,-0.1 -5,-0.1 -0.113 65.7-100.5 -84.6-174.5 -19.4 29.7 -21.6 89 89 A E S S+ 0 0 121 -7,-0.4 2,-0.3 1,-0.1 -6,-0.1 0.611 90.4 3.9 -87.5 -19.0 -18.0 33.2 -22.0 90 90 A Q B -i 83 0C 57 -8,-0.6 -6,-1.3 2,-0.0 2,-0.3 -0.962 67.5-113.5-159.5 170.4 -21.1 35.3 -22.9 91 91 A A - 0 0 73 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.1 -0.889 19.6-175.3-119.2 146.1 -24.8 35.2 -23.4 92 92 A L - 0 0 35 -2,-0.3 2,-0.1 -36,-0.0 -8,-0.0 -0.900 36.5-101.0-125.3 158.7 -27.1 35.6 -26.4 93 93 A T > - 0 0 85 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.380 41.2-105.5 -70.5 162.7 -30.8 35.6 -26.6 94 94 A T H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 122.7 49.9 -54.3 -47.5 -32.4 32.4 -27.7 95 95 A G H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 110.5 48.5 -61.2 -40.8 -33.2 33.9 -31.1 96 96 A Q H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 111.6 50.9 -65.4 -38.8 -29.6 35.2 -31.6 97 97 A Y H X S+ 0 0 11 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.917 112.6 45.2 -65.0 -45.3 -28.2 31.8 -30.6 98 98 A I H X S+ 0 0 20 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.936 113.3 50.3 -63.9 -45.4 -30.4 30.0 -33.1 99 99 A D H X S+ 0 0 104 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.889 108.9 53.0 -59.7 -38.5 -29.7 32.5 -35.8 100 100 A L H X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.932 111.1 45.4 -63.3 -45.9 -25.9 32.1 -35.1 101 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.888 112.0 51.3 -67.0 -38.6 -26.1 28.3 -35.5 102 102 A R H X S+ 0 0 86 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.903 109.0 51.3 -64.7 -37.9 -28.3 28.6 -38.7 103 103 A A H X S+ 0 0 49 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.872 108.1 52.9 -66.9 -35.2 -25.7 31.0 -40.2 104 104 A A H X>S+ 0 0 5 -4,-1.9 6,-0.6 2,-0.2 4,-0.5 0.938 110.4 47.0 -62.7 -46.8 -23.0 28.5 -39.3 105 105 A V H ><5S+ 0 0 4 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.948 111.9 51.7 -56.7 -47.6 -24.9 25.8 -41.2 106 106 A D H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.717 95.0 72.2 -60.8 -28.1 -25.5 28.3 -44.2 107 107 A S H 3<5S- 0 0 33 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.748 89.2-141.6 -63.4 -27.7 -21.8 29.1 -44.4 108 108 A G T <<5S+ 0 0 63 -3,-1.2 -1,-0.1 -4,-0.5 -3,-0.1 0.562 80.4 98.2 71.3 9.2 -20.9 25.7 -45.9 109 109 A L < + 0 0 41 -5,-0.5 2,-0.4 2,-0.0 -32,-0.1 0.574 65.6 72.6-101.2 -14.1 -17.7 25.9 -43.7 110 110 A V - 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