==== 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 LYASE 01-APR-07 2YR1 . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR W.KAGAWA,H.KURUMIZAKA,Y.BESSHO,L.CHEN,Z.Q.FU,J.CHRZAS,B.C.WA . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 16.0 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 . 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 0 0 2 0 0 0 0 2 1 4 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 4 4 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 . 3 0 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 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 0 200 0, 0.0 2,-0.0 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 4.9 -13.1 40.9 -38.5 2 2 A N - 0 0 77 1,-0.1 16,-0.2 2,-0.1 15,-0.2 -0.394 360.0-112.0 -68.7 157.5 -12.4 39.2 -41.9 3 3 A I S S+ 0 0 5 14,-3.5 14,-0.2 222,-0.1 -1,-0.1 0.938 101.3 27.6 -55.9 -50.5 -8.8 38.0 -42.3 4 4 A S S S- 0 0 5 12,-2.7 3,-0.4 13,-0.2 -2,-0.1 -0.810 84.3-117.0-113.0 155.6 -8.1 40.6 -45.0 5 5 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 196,-0.1 0.790 107.6 21.1 -60.6 -29.1 -9.8 44.1 -45.6 6 6 A K S S- 0 0 150 194,-0.2 11,-0.1 9,-0.1 9,-0.1 -0.748 82.6-144.1-144.7 95.3 -11.2 42.9 -49.0 7 7 A A - 0 0 19 -3,-0.4 2,-0.4 -2,-0.3 9,-0.2 -0.093 14.2-141.0 -54.5 154.8 -11.6 39.2 -49.7 8 8 A I E -A 15 0A 28 7,-2.2 7,-2.7 2,-0.0 2,-0.6 -0.964 5.0-135.7-124.0 138.3 -11.0 38.0 -53.2 9 9 A K E +A 14 0A 96 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.833 22.5 179.5 -96.9 120.4 -12.9 35.3 -55.0 10 10 A V E > -A 13 0A 2 3,-3.4 3,-2.5 -2,-0.6 106,-0.0 -0.971 67.5 -42.4-124.4 112.2 -10.8 32.7 -56.9 11 11 A R T 3 S- 0 0 82 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.800 123.7 -34.0 36.2 61.4 -12.8 30.0 -58.7 12 12 A N T 3 S+ 0 0 122 1,-0.2 2,-0.4 67,-0.1 -1,-0.3 0.329 122.2 95.6 86.6 -12.4 -15.4 29.3 -56.1 13 13 A I E < -A 10 0A 44 -3,-2.5 -3,-3.4 65,-0.1 2,-0.4 -0.934 64.1-141.0-118.1 140.5 -13.1 29.9 -53.1 14 14 A W E -A 9 0A 142 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.830 12.0-163.0 -98.4 134.8 -12.7 33.1 -51.1 15 15 A I E S+A 8 0A 1 -7,-2.7 -7,-2.2 -2,-0.4 211,-0.1 -0.977 76.2 22.5-117.8 121.6 -9.3 34.2 -49.9 16 16 A G S S+ 0 0 0 -2,-0.5 -12,-2.7 3,-0.5 -9,-0.2 0.456 98.6 106.7 104.9 3.4 -9.1 36.8 -47.1 17 17 A G S S- 0 0 8 2,-0.4 -14,-3.5 -14,-0.2 -13,-0.2 0.437 93.8 -60.0 -85.1-133.9 -12.6 36.2 -45.7 18 18 A T S S+ 0 0 88 -16,-0.2 -3,-0.0 -15,-0.1 0, 0.0 0.822 116.8 66.8 -83.5 -37.1 -13.6 34.4 -42.5 19 19 A E S S- 0 0 107 -5,-0.1 -3,-0.5 1,-0.0 -2,-0.4 -0.714 81.0-130.1 -92.8 130.0 -12.0 31.1 -43.4 20 20 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 206,-0.2 -0.504 27.9-127.7 -74.0 148.0 -8.3 30.6 -43.7 21 21 A C E -b 226 0B 3 204,-2.3 206,-2.5 -2,-0.1 2,-0.6 -0.803 11.4-144.0 -98.0 141.0 -7.3 28.9 -46.9 22 22 A I E -b 227 0B 3 -2,-0.4 26,-2.1 204,-0.2 25,-1.1 -0.906 13.6-165.5-104.4 121.6 -5.1 25.8 -47.0 23 23 A C E -bc 228 48B 1 204,-2.9 206,-2.3 -2,-0.6 26,-0.2 -0.899 1.6-162.6-106.6 133.4 -2.7 25.5 -49.9 24 24 A A E - c 0 49B 0 24,-2.2 26,-2.3 -2,-0.4 2,-0.2 -0.952 13.4-134.3-118.3 129.9 -1.0 22.2 -50.7 25 25 A P E - c 0 50B 1 0, 0.0 208,-0.5 0, 0.0 2,-0.5 -0.474 7.0-155.8 -82.5 150.9 2.1 21.9 -52.9 26 26 A V E - c 0 51B 2 24,-2.2 26,-1.9 -2,-0.2 2,-0.5 -0.995 14.5-176.0-122.9 117.4 2.7 19.4 -55.6 27 27 A V + 0 0 2 -2,-0.5 2,-0.3 24,-0.2 26,-0.1 -0.982 11.8 159.4-118.4 124.8 6.3 18.7 -56.3 28 28 A G - 0 0 6 -2,-0.5 27,-0.1 24,-0.3 6,-0.1 -0.931 36.1-151.2-150.0 123.4 7.2 16.4 -59.1 29 29 A E S S+ 0 0 99 -2,-0.3 28,-4.0 27,-0.2 29,-0.5 0.856 85.9 18.5 -60.0 -37.0 10.5 16.1 -61.1 30 30 A D S > S- 0 0 47 26,-0.2 4,-3.1 27,-0.1 5,-0.3 -0.897 90.5 -92.7-135.8 166.5 8.6 14.9 -64.1 31 31 A D H > S+ 0 0 34 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.838 123.4 46.6 -41.6 -46.9 5.1 14.8 -65.7 32 32 A R H > S+ 0 0 150 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 114.0 45.6 -66.8 -46.5 4.4 11.4 -64.2 33 33 A K H >> S+ 0 0 90 -3,-0.2 4,-2.4 2,-0.2 3,-0.6 0.969 114.9 49.6 -60.0 -52.1 5.6 12.3 -60.7 34 34 A V H 3X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.3 -2,-0.2 0.929 111.0 47.4 -50.5 -55.9 3.7 15.6 -60.8 35 35 A L H 3X S+ 0 0 62 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.3 0.755 110.9 53.8 -60.5 -26.2 0.4 14.1 -61.9 36 36 A R H < S+ 0 0 0 -4,-3.3 3,-1.2 1,-0.2 -1,-0.2 0.937 112.7 52.3 -63.2 -45.8 -3.0 15.8 -52.7 42 42 A C H 3< S+ 0 0 13 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 96.7 67.8 -62.9 -22.7 -6.4 16.6 -54.3 43 43 A R H 3< S+ 0 0 191 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.3 0.840 95.8 60.8 -64.6 -33.4 -7.8 13.5 -52.6 44 44 A K S << S- 0 0 81 -3,-1.2 187,-0.0 -4,-0.8 198,-0.0 -0.696 107.5-121.6 -81.4 149.6 -7.3 15.5 -49.4 45 45 A Q + 0 0 135 -2,-0.3 -3,-0.1 2,-0.0 -2,-0.1 -0.475 41.4 174.3-101.5 70.6 -9.5 18.5 -50.1 46 46 A P - 0 0 4 0, 0.0 -23,-0.1 0, 0.0 3,-0.1 -0.323 36.7-129.5 -69.7 154.7 -7.2 21.5 -49.9 47 47 A D S S+ 0 0 39 -25,-1.1 2,-0.3 1,-0.1 -24,-0.2 0.850 89.4 18.3 -71.2 -35.0 -8.6 24.9 -50.9 48 48 A L E -c 23 0B 8 -26,-2.1 -24,-2.2 31,-0.2 2,-0.4 -0.939 65.3-143.4-137.6 159.5 -5.7 25.6 -53.2 49 49 A L E -cd 24 81B 2 31,-2.3 33,-3.2 -2,-0.3 2,-0.7 -0.987 10.2-165.3-125.8 122.4 -3.0 23.7 -55.1 50 50 A E E -cd 25 82B 0 -26,-2.3 -24,-2.2 -2,-0.4 2,-0.8 -0.880 5.0-161.4-109.1 104.8 0.5 25.1 -55.6 51 51 A W E -cd 26 83B 4 31,-1.8 33,-2.1 -2,-0.7 2,-1.9 -0.767 11.4-147.5 -90.6 118.9 2.5 23.3 -58.2 52 52 A R E > - d 0 84B 9 -26,-1.9 3,-2.0 -2,-0.8 -24,-0.3 -0.588 17.8-176.0 -80.9 75.6 6.2 24.1 -57.6 53 53 A A G > + 0 0 1 -2,-1.9 3,-0.8 31,-1.1 32,-0.2 0.595 68.4 82.4 -52.3 -14.4 7.1 23.9 -61.3 54 54 A D G 3 S+ 0 0 3 30,-0.7 -1,-0.3 1,-0.2 31,-0.1 0.520 85.3 59.2 -73.4 -0.9 10.8 24.5 -60.4 55 55 A F G < S+ 0 0 44 -3,-2.0 -1,-0.2 -27,-0.1 2,-0.2 0.731 79.5 105.0 -91.4 -29.1 11.1 20.8 -59.6 56 56 A F X - 0 0 6 -3,-0.8 3,-0.8 -4,-0.3 -26,-0.2 -0.332 58.1-159.9 -55.0 115.4 10.0 19.8 -63.2 57 57 A R T 3 S+ 0 0 149 -28,-4.0 2,-0.5 1,-0.2 3,-0.5 0.898 87.2 55.7 -69.0 -37.5 13.2 18.7 -65.0 58 58 A A T > + 0 0 27 -29,-0.5 3,-1.6 1,-0.2 7,-0.3 -0.165 63.2 125.3 -87.7 40.7 11.7 19.2 -68.5 59 59 A I T < + 0 0 5 -3,-0.8 -1,-0.2 -2,-0.5 -2,-0.1 0.674 62.2 74.9 -71.3 -13.9 10.7 22.9 -67.9 60 60 A D T 3 S+ 0 0 106 -3,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.519 86.9 72.3 -73.1 -5.3 12.8 23.6 -71.0 61 61 A D <> - 0 0 48 -3,-1.6 4,-2.7 1,-0.2 3,-0.5 -0.855 59.4-174.8-118.2 98.4 9.8 22.1 -72.9 62 62 A Q H > S+ 0 0 82 -2,-0.6 4,-3.7 1,-0.2 5,-0.3 0.876 87.8 56.0 -56.1 -40.3 6.8 24.3 -73.0 63 63 A E H > S+ 0 0 155 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 110.8 45.5 -60.8 -38.0 4.7 21.7 -74.8 64 64 A R H > S+ 0 0 141 -3,-0.5 4,-3.4 2,-0.2 -2,-0.2 0.956 116.3 43.9 -69.2 -51.5 5.5 19.3 -71.9 65 65 A V H X S+ 0 0 1 -4,-2.7 4,-4.5 -7,-0.3 5,-0.3 0.957 115.5 47.7 -57.9 -52.7 4.8 21.8 -69.2 66 66 A L H X S+ 0 0 74 -4,-3.7 4,-3.1 2,-0.2 5,-0.2 0.914 112.5 51.9 -53.7 -43.9 1.6 23.0 -70.9 67 67 A A H X S+ 0 0 51 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.965 115.0 39.8 -57.3 -55.0 0.7 19.3 -71.3 68 68 A T H X S+ 0 0 3 -4,-3.4 4,-3.2 2,-0.2 5,-0.4 0.948 114.3 54.5 -58.7 -49.4 1.3 18.7 -67.6 69 69 A A H X S+ 0 0 0 -4,-4.5 4,-2.0 1,-0.3 -1,-0.2 0.897 110.8 45.8 -50.0 -46.4 -0.4 22.0 -66.7 70 70 A N H X S+ 0 0 94 -4,-3.1 4,-1.0 -5,-0.3 -1,-0.3 0.846 113.0 52.3 -67.4 -34.4 -3.4 21.0 -68.7 71 71 A G H X S+ 0 0 31 -4,-2.0 4,-1.6 -5,-0.2 3,-0.5 0.951 110.0 44.3 -68.3 -50.3 -3.3 17.6 -67.0 72 72 A L H X S+ 0 0 4 -4,-3.2 4,-3.5 1,-0.3 -2,-0.2 0.881 108.4 58.9 -62.1 -37.3 -3.1 18.8 -63.4 73 73 A R H < S+ 0 0 34 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.853 106.1 51.3 -58.8 -31.7 -5.9 21.3 -64.2 74 74 A N H < S+ 0 0 136 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.868 111.1 44.7 -73.2 -38.4 -7.8 18.2 -65.2 75 75 A I H < S+ 0 0 63 -4,-1.6 2,-0.4 2,-0.0 -2,-0.2 0.892 106.8 65.2 -73.5 -41.1 -7.1 16.4 -61.9 76 76 A A S < S- 0 0 1 -4,-3.5 5,-0.1 1,-0.2 -37,-0.0 -0.691 75.6-164.9 -78.0 132.4 -7.9 19.5 -59.9 77 77 A G S S- 0 0 44 -2,-0.4 -1,-0.2 -35,-0.1 -2,-0.0 0.779 73.0 -26.5 -81.6 -97.3 -11.5 20.2 -60.5 78 78 A E S S+ 0 0 108 2,-0.1 -65,-0.1 -66,-0.0 -2,-0.1 0.441 101.6 127.3 -95.3 -2.9 -12.4 23.7 -59.4 79 79 A I - 0 0 32 1,-0.1 -31,-0.2 -6,-0.1 -32,-0.1 -0.373 69.4-114.7 -57.5 123.2 -9.5 23.7 -56.9 80 80 A P - 0 0 4 0, 0.0 -31,-2.3 0, 0.0 2,-0.5 -0.337 27.3-142.8 -61.3 141.3 -7.6 26.9 -57.7 81 81 A I E -d 49 0B 0 -33,-0.2 35,-3.1 -31,-0.1 36,-2.1 -0.946 7.9-159.4-115.1 122.6 -4.1 26.2 -59.0 82 82 A L E -de 50 117B 9 -33,-3.2 -31,-1.8 -2,-0.5 2,-0.6 -0.881 12.7-148.4 -98.5 120.8 -1.2 28.5 -58.1 83 83 A F E +de 51 118B 1 34,-3.0 36,-2.2 -2,-0.6 2,-0.4 -0.835 22.6 179.6 -94.6 120.1 1.7 28.2 -60.6 84 84 A T E -de 52 119B 0 -33,-2.1 -31,-1.1 -2,-0.6 -30,-0.7 -0.980 26.0-178.6-130.1 130.3 5.1 28.8 -58.9 85 85 A I - 0 0 17 34,-0.6 2,-0.2 -2,-0.4 7,-0.1 -0.821 27.8-152.8-122.5 85.9 8.7 28.7 -60.2 86 86 A R - 0 0 11 -2,-0.5 5,-0.1 5,-0.1 7,-0.0 -0.408 15.9-119.7 -64.9 127.4 10.6 29.4 -57.1 87 87 A S > - 0 0 17 -2,-0.2 5,-2.2 1,-0.1 3,-0.5 -0.147 16.2-125.3 -57.9 163.0 14.0 31.1 -57.7 88 88 A E T > 5S+ 0 0 118 1,-0.2 3,-1.3 3,-0.2 -1,-0.1 0.839 110.8 62.0 -81.2 -33.5 17.0 29.2 -56.5 89 89 A R T 3 5S+ 0 0 188 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.488 107.0 47.8 -68.6 -2.2 18.2 32.2 -54.5 90 90 A E T 3 5S- 0 0 3 -3,-0.5 -1,-0.3 58,-0.1 -2,-0.1 -0.120 136.1 -74.3-132.3 38.6 14.9 31.8 -52.5 91 91 A G T < 5S+ 0 0 35 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.377 89.7 137.3 88.2 -3.2 14.8 28.1 -51.7 92 92 A G < - 0 0 7 -5,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.390 55.1-104.0 -79.6 156.9 13.9 26.9 -55.2 93 93 A Q - 0 0 75 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.129 52.0 -71.6 -62.6-179.0 15.4 24.0 -57.1 94 94 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.697 50.4-159.9 -84.0 133.0 17.9 24.2 -59.9 95 95 A I - 0 0 55 -2,-0.4 -38,-0.1 1,-0.1 -7,-0.1 -0.959 17.5-160.8-122.7 124.6 16.5 25.6 -63.2 96 96 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.720 76.3 65.7 -71.2 -27.7 18.0 25.2 -66.7 97 97 A L S S- 0 0 16 1,-0.1 -2,-0.0 2,-0.0 2,-0.0 -0.760 79.7-132.9 -98.8 147.1 16.2 28.1 -68.4 98 98 A N > - 0 0 102 -2,-0.3 4,-2.0 4,-0.0 3,-0.4 -0.182 37.9 -68.6 -91.7-174.0 16.8 31.7 -67.4 99 99 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.833 125.2 48.2 -35.0 -64.8 14.7 34.7 -66.6 100 100 A A H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 111.1 50.6 -50.5 -48.9 13.2 35.5 -70.0 101 101 A E H > S+ 0 0 42 -3,-0.4 4,-3.8 2,-0.2 -1,-0.2 0.888 107.6 54.3 -59.9 -41.0 12.2 31.9 -70.6 102 102 A V H X S+ 0 0 15 -4,-2.0 4,-3.6 2,-0.2 -1,-0.2 0.967 112.1 43.2 -56.9 -54.0 10.5 31.7 -67.2 103 103 A R H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.854 115.6 49.1 -60.5 -35.7 8.4 34.8 -68.0 104 104 A R H X S+ 0 0 125 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.912 114.0 45.8 -70.1 -41.3 7.8 33.5 -71.5 105 105 A L H X S+ 0 0 4 -4,-3.8 4,-3.0 2,-0.2 -2,-0.2 0.894 111.4 52.6 -67.5 -39.8 6.8 30.1 -69.9 106 106 A I H X S+ 0 0 2 -4,-3.6 4,-3.0 -5,-0.2 -2,-0.2 0.940 112.0 45.7 -62.0 -43.7 4.6 32.0 -67.4 107 107 A E H X S+ 0 0 52 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.966 113.6 48.4 -62.7 -50.4 2.9 33.8 -70.2 108 108 A A H X S+ 0 0 17 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.892 115.2 45.6 -56.3 -40.6 2.4 30.7 -72.2 109 109 A I H X>S+ 0 0 2 -4,-3.0 5,-0.8 2,-0.2 4,-0.6 0.879 111.2 53.3 -72.0 -36.1 1.1 29.0 -69.1 110 110 A C H ><5S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.930 110.3 45.8 -62.3 -48.0 -1.2 32.0 -68.3 111 111 A R H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.723 99.3 69.9 -70.5 -19.7 -2.8 32.0 -71.7 112 112 A S H 3<5S- 0 0 41 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.793 97.8-141.0 -66.4 -26.4 -3.3 28.2 -71.6 113 113 A G T <<5 + 0 0 49 -3,-1.1 -3,-0.1 -4,-0.6 -2,-0.1 0.685 67.8 119.2 73.8 17.3 -5.8 29.0 -68.9 114 114 A A < + 0 0 4 -5,-0.8 2,-0.2 2,-0.0 -4,-0.1 0.661 66.8 53.8 -87.2 -18.5 -4.8 26.0 -66.9 115 115 A I - 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