==== 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 TRANSFERASE 01-JUL-04 1TWZ . COMPND 2 MOLECULE: DHPS, DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR K.BABAOGLU,J.QI,R.L.LEE,S.W.WHITE . 528 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0.4 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 0 2 0 2 4 0 0 2 0 2 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 7 7 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 PARALLEL BRIDGES PER LADDER . 1 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 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 2 A K 0 0 216 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.4 -89.3 68.4 76.0 2 3 A W - 0 0 45 1,-0.0 13,-0.1 2,-0.0 14,-0.1 -0.996 360.0-150.8-116.1 127.0 -85.7 68.4 77.4 3 4 A D S S+ 0 0 155 -2,-0.5 2,-0.3 12,-0.1 -1,-0.0 0.392 71.5 39.5 -84.4 8.8 -84.0 65.4 75.9 4 5 A Y S S- 0 0 28 168,-0.0 11,-0.4 3,-0.0 2,-0.2 -0.953 72.6-121.9-147.6 164.2 -81.7 64.9 78.8 5 6 A D - 0 0 73 -2,-0.3 2,-0.9 9,-0.1 9,-0.2 -0.666 36.7-100.7-102.3 160.8 -81.5 65.0 82.6 6 7 A L E -A 13 0A 1 7,-3.2 7,-2.4 -2,-0.2 2,-0.4 -0.740 38.0-146.7 -86.2 111.1 -79.2 67.0 84.8 7 8 A R E +A 12 0A 120 -2,-0.9 5,-0.2 165,-0.2 3,-0.1 -0.672 28.2 164.2 -82.4 127.9 -76.4 64.7 85.9 8 9 A C E > -A 11 0A 2 3,-1.5 3,-2.6 -2,-0.4 125,-0.1 -0.521 52.8 -98.8-145.9 67.6 -75.1 65.4 89.3 9 10 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.4 101,-0.1 101,-0.0 -0.292 109.1 6.0 54.4-120.9 -73.0 62.5 90.6 10 11 A E T 3 S+ 0 0 133 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.671 130.3 61.2 -67.3 -17.6 -75.3 60.5 92.9 11 12 A Y E < -A 8 0A 35 -3,-2.6 -3,-1.5 2,-0.0 2,-0.4 -0.882 62.7-160.4-117.1 146.6 -78.4 62.6 92.0 12 13 A T E -A 7 0A 68 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.981 7.6-153.4-125.8 130.7 -80.2 63.3 88.8 13 14 A L E -A 6 0A 17 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.2 -0.895 10.2-144.1-109.4 116.0 -82.5 66.2 88.3 14 15 A N - 0 0 52 -2,-0.7 4,-0.3 -9,-0.2 -9,-0.1 -0.550 5.1-160.8 -71.0 140.0 -85.2 65.8 85.7 15 16 A L S S+ 0 0 3 -11,-0.4 -1,-0.1 -2,-0.2 5,-0.1 0.570 81.3 53.8-100.3 -9.7 -85.9 69.1 83.8 16 17 A N S S+ 0 0 47 -14,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.806 96.3 56.6 -95.7 -33.6 -89.4 68.2 82.6 17 18 A E S S- 0 0 122 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.880 114.1 -6.1 -78.2 -34.7 -91.5 67.2 85.6 18 19 A K S S- 0 0 79 -4,-0.3 2,-0.5 226,-0.1 -1,-0.2 -0.994 72.4 -92.2-150.1 157.6 -91.2 70.3 87.8 19 20 A T - 0 0 2 -2,-0.3 2,-0.3 239,-0.2 226,-0.2 -0.635 52.9-129.0 -60.4 121.8 -89.6 73.7 88.3 20 21 A L E -b 245 0B 4 224,-2.6 226,-2.0 -2,-0.5 2,-0.6 -0.637 15.8-138.0 -83.4 138.3 -86.6 72.7 90.4 21 22 A I E -b 246 0B 3 34,-0.3 36,-2.4 -2,-0.3 37,-1.8 -0.833 9.9-160.5-101.5 120.0 -86.2 74.8 93.6 22 23 A M E -bc 247 58B 1 224,-3.6 226,-3.0 -2,-0.6 2,-0.4 -0.906 14.9-147.1-100.0 118.9 -82.7 75.9 94.6 23 24 A G E -bc 248 59B 0 35,-3.0 37,-2.9 -2,-0.7 2,-1.0 -0.700 12.1-128.9 -88.2 127.3 -82.7 76.8 98.3 24 25 A I E - c 0 60B 13 224,-2.0 2,-0.5 -2,-0.4 37,-0.1 -0.673 20.4-140.6 -78.5 104.7 -80.3 79.6 99.3 25 26 A L E - c 0 61B 5 35,-2.5 37,-0.6 -2,-1.0 2,-0.5 -0.547 10.0-141.5 -67.9 117.9 -78.2 78.4 102.2 26 27 A N - 0 0 93 -2,-0.5 2,-0.5 17,-0.1 21,-0.1 -0.693 17.1-166.3 -84.2 117.2 -77.8 81.2 104.7 27 28 A V - 0 0 33 -2,-0.5 -1,-0.1 35,-0.0 13,-0.1 -0.540 6.8-177.1-118.2 64.5 -74.2 80.9 106.0 28 29 A T - 0 0 95 -2,-0.5 15,-0.1 12,-0.1 16,-0.1 -0.497 20.0-148.1 -72.8 102.6 -73.8 83.0 109.1 29 30 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 5,-0.1 -0.024 18.1 -98.8 -72.7 166.3 -70.1 82.8 110.1 30 31 A D > - 0 0 37 5,-0.2 3,-1.2 3,-0.1 7,-0.0 -0.785 16.1-151.8 -85.9 118.9 -68.4 82.9 113.5 31 32 A S T 3 S+ 0 0 136 -2,-0.6 -1,-0.1 1,-0.2 3,-0.0 0.500 101.6 50.2 -59.4 -2.8 -67.1 86.3 114.4 32 33 A F T 3 S+ 0 0 217 1,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.496 109.5 46.4-118.3 -12.2 -64.7 84.2 116.5 33 34 A S < - 0 0 31 -3,-1.2 -3,-0.1 2,-0.1 -1,-0.0 -0.891 47.8-159.6-133.2 165.7 -63.4 81.5 114.0 34 35 A D S S+ 0 0 113 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 0.473 80.2 47.9-114.8 -11.1 -62.1 81.1 110.4 35 36 A G S S- 0 0 22 42,-0.0 2,-0.4 41,-0.0 -5,-0.2 0.350 108.7 -50.6-103.9-133.1 -62.9 77.4 110.0 36 37 A G + 0 0 14 42,-0.1 267,-4.3 4,-0.1 268,-0.3 -0.546 62.9 175.9-117.0 63.1 -65.7 75.0 110.5 37 38 A S B > -J 302 0C 21 -2,-0.4 4,-2.2 265,-0.3 5,-0.4 -0.269 42.3-105.3 -73.7 157.9 -66.8 75.7 114.1 38 39 A Y H > S+ 0 0 10 263,-3.3 4,-2.4 1,-0.2 5,-0.2 0.823 111.4 49.5 -55.4 -43.2 -69.8 73.9 115.6 39 40 A N H > S+ 0 0 98 262,-0.3 4,-2.5 2,-0.2 5,-0.2 0.929 114.3 39.3 -66.8 -50.7 -72.3 76.9 115.5 40 41 A E H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 120.2 45.7 -66.8 -44.5 -72.0 78.0 111.9 41 42 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 115.4 48.0 -67.8 -37.4 -71.7 74.5 110.6 42 43 A D H X S+ 0 0 26 -4,-2.4 4,-2.6 -5,-0.4 -2,-0.2 0.864 111.2 48.6 -68.8 -40.4 -74.6 73.3 112.7 43 44 A A H X S+ 0 0 55 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.920 112.6 51.4 -61.7 -42.8 -76.9 76.3 111.8 44 45 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.936 110.5 46.3 -60.0 -48.6 -76.0 75.6 108.2 45 46 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.930 112.5 51.0 -62.4 -45.5 -76.9 71.8 108.5 46 47 A R H X S+ 0 0 156 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.854 110.6 49.6 -55.8 -35.7 -80.2 72.7 110.3 47 48 A H H X S+ 0 0 39 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.818 111.0 46.9 -81.1 -29.8 -81.1 75.1 107.6 48 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.855 111.3 54.7 -75.3 -37.0 -80.4 72.8 104.7 49 50 A K H X S+ 0 0 66 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.949 109.7 45.2 -58.8 -47.4 -82.4 70.2 106.6 50 51 A E H X S+ 0 0 97 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.967 112.2 50.8 -68.2 -43.2 -85.3 72.5 106.9 51 52 A M H X>S+ 0 0 1 -4,-2.3 5,-2.4 1,-0.2 4,-0.6 0.864 108.2 53.6 -61.2 -35.4 -85.1 73.5 103.2 52 53 A R H ><5S+ 0 0 92 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.929 109.1 48.7 -59.8 -44.5 -85.0 69.8 102.2 53 54 A D H 3<5S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.687 109.4 55.1 -67.2 -17.7 -88.2 69.2 104.2 54 55 A E H 3<5S- 0 0 58 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.551 129.6 -83.5 -96.6 -9.5 -89.9 72.2 102.6 55 56 A G T <<5S+ 0 0 27 -3,-1.0 -34,-0.3 -4,-0.6 2,-0.2 0.498 71.0 152.5 121.1 8.5 -89.4 71.2 99.0 56 57 A A < - 0 0 5 -5,-2.4 -1,-0.2 1,-0.1 -34,-0.2 -0.478 23.4-173.0 -73.4 136.5 -85.9 72.2 97.9 57 58 A H S S+ 0 0 32 -36,-2.4 2,-0.3 1,-0.3 -35,-0.2 0.699 74.4 27.1 -99.2 -22.8 -84.2 70.1 95.1 58 59 A I E -c 22 0B 2 -37,-1.8 -35,-3.0 31,-0.2 2,-0.5 -0.984 69.4-141.2-137.0 144.5 -80.8 71.8 95.3 59 60 A I E -cd 23 91B 0 31,-2.1 33,-2.4 -2,-0.3 2,-0.5 -0.962 16.5-153.9-108.2 124.6 -78.9 73.5 98.2 60 61 A D E -cd 24 92B 1 -37,-2.9 -35,-2.5 -2,-0.5 2,-0.5 -0.860 9.5-167.7-103.1 120.5 -76.9 76.6 97.2 61 62 A I E -cd 25 93B 0 31,-2.7 33,-2.6 -2,-0.5 2,-0.3 -0.924 3.1-171.7-119.7 122.3 -73.9 77.5 99.4 62 63 A G E - d 0 94B 16 -37,-0.6 33,-0.1 -2,-0.5 3,-0.1 -0.794 15.2-164.9-115.5 149.3 -72.1 80.8 99.1 63 64 A G S S+ 0 0 5 31,-0.9 2,-0.3 -2,-0.3 -1,-0.1 0.886 73.4 23.6 -98.1 -49.6 -68.8 82.0 100.8 64 65 A E 0 0 64 30,-0.3 -1,-0.3 3,-0.1 30,-0.0 -0.872 360.0 360.0-123.9 151.9 -68.7 85.8 100.4 65 66 A S 0 0 167 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.549 360.0 360.0-104.5 360.0 -71.5 88.4 99.9 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 74 A V 0 0 125 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 60.6 -62.7 88.3 101.7 68 75 A S > - 0 0 56 1,-0.1 4,-1.6 4,-0.0 0, 0.0 -0.103 360.0-111.2 -66.6 169.5 -59.4 86.5 100.5 69 76 A V H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.977 114.0 49.3 -66.4 -56.5 -59.4 83.3 98.5 70 77 A E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.840 109.9 52.6 -60.3 -35.1 -58.0 81.0 101.2 71 78 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.964 102.6 57.9 -58.3 -53.9 -60.5 82.2 103.7 72 79 A E H X S+ 0 0 8 -4,-1.6 4,-3.4 1,-0.2 5,-0.2 0.855 111.0 44.1 -46.2 -43.3 -63.5 81.6 101.4 73 80 A I H X S+ 0 0 13 -4,-1.5 4,-3.4 2,-0.2 -1,-0.2 0.971 110.2 51.3 -67.0 -56.8 -62.4 77.9 101.2 74 81 A K H < S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 119.9 40.5 -53.3 -28.0 -61.7 77.4 104.9 75 82 A R H X S+ 0 0 88 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.950 122.0 36.8 -82.1 -57.7 -65.2 78.8 105.4 76 83 A V H X S+ 0 0 1 -4,-3.4 4,-1.9 -5,-0.2 -3,-0.2 0.800 106.1 65.6 -68.2 -34.9 -67.2 77.2 102.6 77 84 A V H X S+ 0 0 24 -4,-3.4 4,-2.6 -5,-0.2 3,-0.3 0.946 100.1 47.7 -62.3 -51.7 -65.5 73.7 102.6 78 85 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.899 109.1 57.8 -54.5 -40.2 -66.7 72.5 106.1 79 86 A M H X S+ 0 0 6 -4,-0.9 4,-2.5 2,-0.2 5,-0.3 0.925 108.8 44.5 -54.6 -45.8 -70.2 73.7 105.1 80 87 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 -3,-0.3 5,-0.4 0.964 111.4 51.5 -65.8 -51.1 -70.2 71.4 102.1 81 88 A Q H X S+ 0 0 95 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.860 115.7 43.1 -50.7 -39.0 -68.8 68.3 103.9 82 89 A A H X S+ 0 0 7 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.953 117.1 42.5 -76.2 -49.8 -71.4 68.6 106.6 83 90 A V H >X S+ 0 0 0 -4,-2.5 4,-3.6 -5,-0.3 3,-0.5 0.949 115.9 48.7 -63.6 -47.4 -74.5 69.3 104.4 84 91 A S H 3< S+ 0 0 26 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.896 112.4 49.4 -62.0 -37.1 -73.6 66.8 101.8 85 92 A K H 3< S+ 0 0 152 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.809 124.8 28.6 -68.7 -29.8 -73.0 64.1 104.5 86 93 A E H << S+ 0 0 34 -4,-1.5 2,-0.5 -3,-0.5 -2,-0.2 0.677 116.4 54.4-113.5 -19.7 -76.3 64.8 106.2 87 94 A V < - 0 0 0 -4,-3.6 2,-1.8 -5,-0.2 -1,-0.2 -0.973 68.4-146.6-119.5 118.3 -78.6 66.1 103.5 88 95 A K + 0 0 124 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.524 62.5 103.3 -84.9 72.8 -79.2 64.0 100.3 89 96 A L S S- 0 0 24 -2,-1.8 -31,-0.2 -6,-0.1 -2,-0.1 -0.961 81.0 -94.4-139.5 150.3 -79.7 66.8 97.8 90 97 A P - 0 0 3 0, 0.0 -31,-2.1 0, 0.0 2,-0.4 -0.433 40.7-143.3 -61.7 137.8 -77.2 68.0 95.2 91 98 A I E -d 59 0B 0 17,-0.4 19,-3.9 -33,-0.2 20,-1.6 -0.909 8.7-157.1-105.6 136.0 -75.2 71.0 96.5 92 99 A S E -de 60 111B 0 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.6 -0.886 13.1-136.2-106.1 146.4 -74.2 73.9 94.2 93 100 A I E -de 61 112B 0 18,-2.6 20,-2.6 -2,-0.4 2,-1.2 -0.913 9.0-150.3-106.0 116.5 -71.2 76.1 95.1 94 101 A D E +de 62 113B 31 -33,-2.6 -31,-0.9 -2,-0.6 -30,-0.3 -0.715 53.4 110.6 -89.7 87.1 -71.9 79.8 94.6 95 102 A T - 0 0 4 -2,-1.2 21,-0.2 18,-0.7 18,-0.2 -0.907 52.8-155.5-144.9 163.6 -68.4 81.2 93.8 96 103 A Y + 0 0 50 -2,-0.3 2,-0.2 18,-0.2 28,-0.2 0.388 66.7 104.3-117.0 -5.0 -66.8 82.6 90.7 97 104 A K > - 0 0 15 1,-0.1 4,-2.5 26,-0.1 5,-0.2 -0.548 65.8-143.4 -86.3 139.1 -63.2 81.8 91.8 98 105 A A H > S+ 0 0 11 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.974 99.4 46.9 -68.6 -53.8 -61.5 78.8 90.2 99 106 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.862 113.2 51.3 -55.0 -40.5 -59.7 77.5 93.2 100 107 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.965 108.6 49.2 -62.7 -53.6 -62.8 77.8 95.3 101 108 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.947 111.5 51.3 -50.5 -49.6 -65.0 75.9 92.9 102 109 A K H X S+ 0 0 76 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.902 111.2 45.1 -57.2 -49.3 -62.4 73.1 92.8 103 110 A Q H X S+ 0 0 64 -4,-2.2 4,-3.5 1,-0.2 -1,-0.2 0.948 112.1 53.8 -57.7 -49.6 -62.1 72.7 96.5 104 111 A A H X>S+ 0 0 0 -4,-2.6 5,-3.9 2,-0.2 4,-0.8 0.855 110.9 44.5 -54.1 -45.2 -65.9 72.8 96.9 105 112 A I H ><5S+ 0 0 20 -4,-2.4 3,-1.0 3,-0.3 -1,-0.2 0.946 113.8 50.6 -63.2 -51.4 -66.4 70.0 94.4 106 113 A E H 3<5S+ 0 0 128 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.885 110.8 49.8 -48.7 -46.3 -63.6 68.1 96.0 107 114 A A H 3<5S- 0 0 18 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.661 138.5 -84.2 -68.5 -20.0 -65.4 68.7 99.3 108 115 A G T <<5S+ 0 0 22 -3,-1.0 -17,-0.4 -4,-0.8 -3,-0.3 0.430 75.3 147.9 129.4 3.0 -68.6 67.4 97.7 109 116 A A < - 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