==== 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/TRANSFERASE INHIBITOR 14-APR-09 3H26 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 533 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.4 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 . 1 0.2 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 . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 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 5 1 0 0 2 0 2 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 9 4 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 1 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 2 A K 0 0 219 0, 0.0 2,-0.5 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 122.2 -89.8 69.2 76.8 2 3 A W - 0 0 54 1,-0.1 13,-0.1 2,-0.1 14,-0.1 -0.786 360.0-150.7 -84.6 124.5 -86.2 68.9 77.8 3 4 A D S S+ 0 0 155 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 0.342 75.6 45.0 -81.9 8.3 -84.9 65.7 76.2 4 5 A Y S S- 0 0 29 165,-0.0 11,-0.4 3,-0.0 2,-0.3 -0.922 77.1-119.6-142.4 167.6 -82.4 65.2 79.1 5 6 A D - 0 0 70 -2,-0.3 2,-0.9 9,-0.1 9,-0.2 -0.714 34.3-104.1-105.7 159.3 -82.1 65.3 82.9 6 7 A L E -A 13 0A 0 7,-2.9 7,-2.7 -2,-0.3 2,-0.7 -0.762 38.8-147.8 -86.4 107.5 -79.9 67.4 85.0 7 8 A R E +A 12 0A 117 -2,-0.9 5,-0.2 162,-0.3 3,-0.1 -0.689 26.9 169.2 -85.9 113.4 -77.2 65.1 86.1 8 9 A C E > -A 11 0A 4 3,-2.5 3,-2.0 -2,-0.7 2,-0.7 -0.328 48.5-114.2-117.9 48.2 -75.8 65.9 89.6 9 10 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.2 120,-0.1 98,-0.0 -0.435 106.9 19.3 62.5-104.7 -73.7 62.8 90.2 10 11 A E T 3 S+ 0 0 140 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.3 0.863 131.2 51.0 -59.5 -38.6 -75.5 61.1 93.1 11 12 A Y E < -A 8 0A 35 -3,-2.0 -3,-2.5 75,-0.0 2,-0.4 -0.701 66.2-157.1-107.1 153.4 -78.7 63.1 92.4 12 13 A T E -A 7 0A 73 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.996 5.0-156.5-127.9 135.1 -80.7 63.6 89.2 13 14 A L E -A 6 0A 16 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.3 -0.939 7.6-149.5-115.1 115.6 -83.1 66.5 88.6 14 15 A N - 0 0 45 -2,-0.6 4,-0.5 -9,-0.2 -9,-0.1 -0.648 4.4-163.6 -79.7 135.8 -85.9 66.2 86.0 15 16 A L S S+ 0 0 4 -11,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.320 81.1 58.0-104.0 4.6 -86.8 69.4 84.3 16 17 A N S S+ 0 0 30 -14,-0.1 -1,-0.1 -15,-0.1 3,-0.1 0.694 96.6 60.6-105.6 -23.8 -90.2 68.5 82.9 17 18 A E S S- 0 0 124 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.952 114.0 -20.4 -68.7 -56.8 -92.0 67.5 86.2 18 19 A K S S- 0 0 77 -4,-0.5 2,-0.5 246,-0.1 -1,-0.2 -0.942 71.4 -83.2-149.0 163.5 -91.9 70.7 88.2 19 20 A T - 0 0 2 -2,-0.3 2,-0.3 236,-0.2 223,-0.2 -0.690 55.5-128.0 -66.9 124.7 -90.3 74.0 88.7 20 21 A L E -b 242 0B 4 221,-2.7 223,-2.0 -2,-0.5 2,-0.6 -0.612 16.7-137.6 -84.1 138.6 -87.2 73.1 90.8 21 22 A I E -b 243 0B 3 -2,-0.3 36,-3.0 34,-0.3 37,-1.8 -0.867 10.7-162.0-106.6 118.2 -86.7 75.1 94.0 22 23 A M E -bc 244 58B 0 221,-3.4 223,-2.8 -2,-0.6 2,-0.4 -0.887 14.6-149.2 -96.6 118.4 -83.3 76.4 95.0 23 24 A G E -bc 245 59B 0 35,-2.9 37,-3.0 -2,-0.6 2,-0.8 -0.752 11.7-130.6 -90.1 129.3 -83.2 77.3 98.7 24 25 A I E - c 0 60B 14 221,-2.4 2,-0.5 -2,-0.4 37,-0.1 -0.705 19.8-144.7 -81.0 109.6 -80.9 80.1 99.8 25 26 A L - 0 0 5 35,-2.2 2,-0.6 -2,-0.8 37,-0.4 -0.645 12.8-145.1 -75.1 121.3 -78.9 78.7 102.7 26 27 A N - 0 0 91 -2,-0.5 2,-0.7 17,-0.1 21,-0.1 -0.800 11.1-163.9 -96.7 123.9 -78.3 81.6 105.1 27 28 A V - 0 0 40 -2,-0.6 13,-0.1 35,-0.2 14,-0.1 -0.851 7.7-168.1-111.6 94.2 -75.0 81.6 107.0 28 29 A T - 0 0 119 -2,-0.7 2,-0.1 12,-0.1 15,-0.1 -0.747 34.1-135.4 -76.9 103.6 -74.8 83.9 110.0 29 30 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.387 10.7-110.0 -77.8 138.2 -71.0 83.6 110.4 30 31 A D - 0 0 40 1,-0.2 3,-0.3 -2,-0.1 7,-0.1 -0.478 22.6-149.6 -57.6 117.1 -69.4 83.0 113.8 31 32 A S S S+ 0 0 125 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.558 92.3 55.1 -65.3 -6.4 -67.6 86.3 114.4 32 33 A F S S+ 0 0 197 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.794 100.6 49.5-104.3 -34.5 -65.1 84.3 116.3 33 34 A S S S- 0 0 32 -3,-0.3 3,-0.1 1,-0.1 274,-0.0 -0.520 72.5-126.8 -98.9 171.3 -63.8 81.5 114.1 34 35 A D S S- 0 0 92 1,-0.4 2,-0.2 -2,-0.2 -1,-0.1 0.761 81.9 -61.5 -77.8 -31.3 -62.4 81.5 110.5 35 36 A G S S+ 0 0 23 37,-0.1 -1,-0.4 38,-0.0 37,-0.2 -0.750 109.6 66.2 156.0 156.5 -64.9 78.8 109.7 36 37 A G + 0 0 11 36,-0.3 274,-3.5 1,-0.3 275,-0.2 0.188 63.2 139.7 96.9 -16.3 -65.8 75.3 110.7 37 38 A S B > -J 309 0C 12 272,-0.3 4,-1.6 273,-0.1 272,-0.3 -0.137 63.1-107.5 -63.0 159.8 -66.9 76.0 114.3 38 39 A Y H > S+ 0 0 8 270,-3.1 4,-2.8 1,-0.2 5,-0.3 0.852 107.8 53.4 -60.6 -44.7 -70.0 74.3 115.7 39 40 A N H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 111.7 41.4 -64.6 -47.6 -72.5 77.1 115.8 40 41 A E H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 119.8 44.1 -68.1 -39.4 -72.4 78.3 112.2 41 42 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.893 114.1 50.0 -74.0 -39.1 -72.2 74.7 110.7 42 43 A D H X S+ 0 0 25 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.923 111.9 48.4 -60.8 -46.0 -75.0 73.5 113.1 43 44 A A H X S+ 0 0 53 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.885 112.1 49.7 -61.5 -40.5 -77.2 76.4 112.1 44 45 A A H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.891 113.0 45.6 -64.5 -43.3 -76.5 75.7 108.4 45 46 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 114.4 48.8 -63.7 -50.2 -77.3 72.0 108.7 46 47 A R H X S+ 0 0 158 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.897 114.7 45.2 -54.2 -46.6 -80.4 72.8 110.7 47 48 A H H X S+ 0 0 35 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.889 110.1 53.1 -70.6 -40.8 -81.4 75.4 108.1 48 49 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.888 109.8 51.3 -56.0 -39.2 -80.6 73.1 105.2 49 50 A K H X S+ 0 0 68 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.891 106.4 52.4 -67.9 -40.0 -82.9 70.5 106.9 50 51 A E H X S+ 0 0 111 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.929 110.9 47.0 -62.1 -45.7 -85.8 72.9 107.3 51 52 A M H <>S+ 0 0 3 -4,-2.1 5,-2.3 2,-0.2 4,-0.4 0.853 107.6 56.1 -67.8 -35.9 -85.7 73.8 103.6 52 53 A R H ><5S+ 0 0 93 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.914 111.1 45.5 -58.1 -42.8 -85.5 70.2 102.6 53 54 A D H 3<5S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.774 106.5 59.4 -70.5 -27.8 -88.7 69.7 104.6 54 55 A E T 3<5S- 0 0 70 -4,-1.5 -1,-0.2 -5,-0.1 198,-0.2 0.461 129.3 -89.4 -83.4 -0.5 -90.3 72.8 103.0 55 56 A G T < 5 + 0 0 31 -3,-0.9 -34,-0.3 -4,-0.4 -3,-0.2 0.659 69.6 159.8 105.0 22.2 -90.0 71.4 99.5 56 57 A A < - 0 0 6 -5,-2.3 -1,-0.2 1,-0.1 -34,-0.2 -0.457 25.1-170.5 -77.6 147.9 -86.5 72.5 98.3 57 58 A H S S+ 0 0 33 -36,-3.0 2,-0.3 1,-0.3 -35,-0.2 0.649 73.4 26.3-110.2 -23.4 -84.7 70.7 95.5 58 59 A I E -c 22 0B 2 -37,-1.8 -35,-2.9 28,-0.1 2,-0.6 -0.983 66.6-142.1-136.8 146.7 -81.3 72.3 95.7 59 60 A I E -cd 23 88B 0 28,-2.3 30,-2.2 -2,-0.3 2,-0.6 -0.966 16.8-150.8-108.3 119.4 -79.4 74.0 98.6 60 61 A D E -cd 24 89B 2 -37,-3.0 -35,-2.2 -2,-0.6 2,-0.4 -0.805 18.4-173.4 -92.8 123.1 -77.4 77.0 97.6 61 62 A I E + d 0 90B 0 28,-2.5 30,-3.1 -2,-0.6 2,-0.2 -0.961 35.2 50.0-127.6 130.3 -74.3 77.6 99.8 62 63 A G 0 0 14 -2,-0.4 -35,-0.2 -37,-0.4 30,-0.1 -0.770 360.0 360.0 138.4-178.2 -71.8 80.4 99.9 63 64 A G 0 0 108 28,-0.5 29,-0.0 -2,-0.2 -37,-0.0 -0.003 360.0 360.0 115.6 360.0 -72.0 84.2 100.1 64 ! 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 65 75 A S > 0 0 106 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-174.8 -61.1 86.4 100.8 66 76 A V T >> + 0 0 63 1,-0.3 4,-1.8 2,-0.2 3,-1.6 0.081 360.0 52.3 19.0 -81.5 -60.0 83.4 98.8 67 77 A E H 3> S+ 0 0 148 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.797 123.3 32.0 -36.5 -42.7 -57.9 81.6 101.5 68 78 A E H <> S+ 0 0 92 -3,-2.3 4,-1.3 2,-0.2 -1,-0.3 0.401 100.5 75.6-108.4 -2.0 -60.9 81.9 103.9 69 79 A E H <> S+ 0 0 42 -3,-1.6 4,-2.2 2,-0.2 5,-0.2 0.905 104.1 45.8 -61.5 -43.7 -63.7 81.6 101.4 70 80 A I H X S+ 0 0 29 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.946 108.8 53.0 -62.5 -51.7 -62.7 77.9 101.5 71 81 A K H < S+ 0 0 100 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.793 115.1 42.2 -58.4 -33.3 -62.4 77.7 105.3 72 82 A R H X S+ 0 0 73 -4,-1.3 4,-0.5 -37,-0.2 -36,-0.3 0.919 123.2 35.2 -74.2 -45.9 -65.9 79.1 105.7 73 83 A V H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 3,-0.2 0.827 105.2 63.3 -88.8 -35.2 -67.6 77.1 102.9 74 84 A V H X S+ 0 0 17 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.925 103.2 48.6 -59.2 -50.5 -65.9 73.7 102.9 75 85 A P H > S+ 0 0 28 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.802 110.2 54.2 -61.7 -28.4 -67.0 72.6 106.4 76 86 A M H X S+ 0 0 5 -4,-0.5 4,-2.3 -3,-0.2 -2,-0.2 0.892 110.4 44.6 -69.9 -41.5 -70.6 73.7 105.6 77 87 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.5 0.934 111.6 53.7 -68.8 -46.1 -70.8 71.5 102.4 78 88 A Q H X S+ 0 0 95 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.931 115.2 40.3 -47.3 -53.4 -69.2 68.6 104.2 79 89 A A H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.875 117.9 46.1 -68.2 -41.2 -71.8 68.7 107.0 80 90 A V H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 -2,-0.2 0.915 113.5 45.6 -74.4 -45.6 -74.8 69.4 104.7 81 91 A S H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.892 115.6 50.8 -62.2 -39.6 -74.2 66.8 102.0 82 92 A K H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.5 -1,-0.2 0.889 123.9 27.8 -59.0 -43.3 -73.5 64.4 104.8 83 93 A E H < S+ 0 0 53 -4,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.632 118.0 53.0-103.5 -16.5 -76.7 65.2 106.6 84 94 A V S < S- 0 0 1 -4,-3.4 2,-2.0 2,-0.1 -1,-0.2 -0.967 70.8-140.4-129.1 118.2 -79.1 66.4 103.9 85 95 A K + 0 0 168 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.489 65.2 101.2 -77.5 77.6 -79.9 64.2 100.8 86 96 A L S S- 0 0 23 -2,-2.0 2,-0.2 -6,-0.1 -28,-0.1 -0.988 78.5 -92.0-155.1 151.4 -80.0 67.0 98.2 87 97 A P - 0 0 3 0, 0.0 -28,-2.3 0, 0.0 2,-0.5 -0.522 39.3-149.5 -69.7 136.9 -77.8 68.6 95.5 88 98 A I E -d 59 0B 0 17,-0.3 19,-3.0 -2,-0.2 20,-1.9 -0.920 3.9-155.6-106.5 128.2 -75.8 71.5 96.8 89 99 A S E -de 60 108B 0 -30,-2.2 -28,-2.5 -2,-0.5 2,-0.5 -0.826 15.3-134.4 -95.2 144.4 -74.8 74.3 94.6 90 100 A I E -de 61 109B 0 18,-2.8 20,-2.5 -2,-0.4 2,-1.2 -0.905 8.8-144.9-102.7 127.8 -71.7 76.3 95.5 91 101 A D E + e 0 110B 25 -30,-3.1 -28,-0.5 -2,-0.5 2,-0.3 -0.704 52.8 111.2 -97.6 84.4 -72.1 80.1 95.3 92 102 A T - 0 0 3 -2,-1.2 21,-0.2 18,-1.0 18,-0.2 -0.989 52.5-157.4-149.3 156.6 -68.7 81.4 94.1 93 103 A Y S S+ 0 0 79 -2,-0.3 2,-0.4 18,-0.2 25,-0.3 0.301 70.7 101.8-109.4 3.7 -67.0 83.1 91.2 94 104 A K > - 0 0 14 1,-0.1 4,-2.2 23,-0.1 5,-0.1 -0.770 64.6-147.2 -98.9 131.5 -63.6 81.9 92.2 95 105 A A H > S+ 0 0 13 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.886 97.5 48.7 -63.0 -43.3 -62.0 78.9 90.5 96 106 A E H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 111.3 49.2 -66.7 -42.9 -60.1 77.6 93.5 97 107 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 108.4 55.0 -59.3 -49.7 -63.2 77.8 95.8 98 108 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.906 108.6 47.8 -50.6 -50.7 -65.2 75.9 93.2 99 109 A K H X S+ 0 0 77 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.961 112.8 47.8 -55.3 -56.3 -62.8 73.0 93.1 100 110 A Q H X S+ 0 0 70 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.858 112.4 49.4 -53.6 -43.0 -62.6 72.7 96.9 101 111 A A H X>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 4,-0.6 0.904 112.5 45.2 -67.1 -47.2 -66.4 72.8 97.3 102 112 A I H ><5S+ 0 0 21 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.882 114.3 51.2 -61.1 -39.6 -67.0 70.1 94.6 103 113 A E H 3<5S+ 0 0 120 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.807 108.5 52.4 -64.7 -30.2 -64.2 68.2 96.3 104 114 A A H 3<5S- 0 0 15 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.553 137.4 -82.4 -84.1 -9.9 -66.0 68.8 99.6 105 115 A G T <<5S+ 0 0 25 -3,-0.7 -17,-0.3 -4,-0.6 -3,-0.2 0.455 79.8 142.6 124.2 5.2 -69.3 67.4 98.1 106 116 A A < - 0 0 5 -5,-2.9 -1,-0.3 -8,-0.1 -17,-0.2 -0.490 28.7-167.2 -77.1 147.1 -70.9 70.2 96.2 107 117 A H + 0 0 24 -19,-3.0 2,-0.4 -2,-0.2 -18,-0.2 0.707 61.3 41.7-109.2 -27.8 -72.7 69.3 92.9 108 118 A I E -e 89 0B 1 -20,-1.9 -18,-2.8 22,-0.2 2,-0.4 -0.941 68.4-132.1-126.2 145.5 -73.5 72.5 91.0 109 119 A I E -ef 90 132B 0 22,-3.1 24,-3.0 -2,-0.4 2,-0.5 -0.835 14.6-165.9 -95.3 138.6 -71.6 75.7 90.3 110 120 A N E -ef 91 133B 4 -20,-2.5 -18,-1.0 -2,-0.4 2,-0.7 -0.877 11.4-179.4-124.4 96.2 -73.3 79.0 90.9 111 121 A D E > - f 0 134B 0 22,-1.9 24,-1.9 -2,-0.5 3,-1.7 -0.858 20.8-168.7-110.1 108.3 -71.3 81.8 89.3 112 122 A I T 3 S+ 0 0 38 -2,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.503 94.7 49.9 -70.2 -4.4 -72.6 85.4 89.6 113 123 A W T > S- 0 0 60 -21,-0.2 3,-2.8 5,-0.1 4,-0.3 0.267 102.0-131.8-116.0 8.8 -70.0 86.3 87.0 114 124 A G T < S- 0 0 0 -3,-1.7 46,-0.1 1,-0.3 47,-0.1 0.836 72.0 -52.9 40.7 49.8 -70.8 83.6 84.4 115 125 A A T 3 S+ 0 0 0 3,-0.1 -1,-0.3 1,-0.1 7,-0.1 0.470 121.0 103.7 69.9 7.1 -67.1 82.6 84.0 116 126 A K S < S+ 0 0 71 -3,-2.8 -2,-0.1 2,-0.1 -1,-0.1 0.787 76.5 51.9 -88.3 -29.2 -66.0 86.2 83.3 117 127 A A S S+ 0 0 42 -4,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.966 134.4 6.1 -67.3 -55.5 -64.5 86.9 86.8 118 128 A E > - 0 0 61 -25,-0.3 3,-2.6 1,-0.1 4,-0.4 -0.824 65.8-171.0-132.9 94.6 -62.4 83.7 86.7 119 129 A P T >> S+ 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.800 83.4 73.6 -54.1 -32.4 -62.5 82.0 83.3 120 130 A K H >> S+ 0 0 146 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.692 80.3 72.6 -52.0 -26.3 -60.6 79.1 84.9 121 131 A I H <> S+ 0 0 0 -3,-2.6 4,-3.1 1,-0.2 -1,-0.3 0.878 88.2 59.9 -61.3 -38.8 -63.8 78.1 86.8 122 132 A A H <> S+ 0 0 0 -3,-1.4 4,-2.6 -4,-0.4 -1,-0.2 0.811 103.2 53.0 -59.2 -31.3 -65.4 76.8 83.6 123 133 A E H S+ 0 0 1 -4,-3.1 5,-0.9 1,-0.2 4,-0.7 0.901 115.4 45.0 -52.4 -47.0 -66.8 72.8 85.8 126 136 A A H <5S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.930 113.8 50.4 -62.9 -47.6 -65.6 71.0 82.8 127 137 A H H <5S+ 0 0 151 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.952 118.2 33.8 -58.7 -60.5 -63.2 68.8 84.8 128 138 A Y H <5S- 0 0 75 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.547 105.1-130.6 -74.7 -8.8 -65.5 67.6 87.5 129 139 A D T <5 + 0 0 80 -4,-0.7 -3,-0.2 -5,-0.4 -120,-0.1 0.741 51.8 155.0 69.8 25.3 -68.3 67.6 84.9 130 140 A V < - 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0 0 6 -5,-1.7 -1,-0.3 -6,-0.2 2,-0.2 -0.390 43.7-128.3 -61.6 123.8 -68.5 72.2 79.4 167 177 A R > - 0 0 106 -2,-0.2 3,-2.6 1,-0.1 4,-0.1 -0.477 17.1-118.3 -71.1 143.5 -71.2 70.1 77.8 168 178 A D G > S+ 0 0 69 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.857 115.7 60.5 -46.2 -38.6 -74.4 71.9 76.7 169 179 A E G 3 S+ 0 0 81 1,-0.3 -1,-0.3 32,-0.1 -162,-0.3 0.539 98.7 55.9 -76.0 -6.6 -76.3 69.8 79.2 170 180 A N G < S+ 0 0 4 -3,-2.6 -38,-3.3 -39,-0.1 2,-0.5 0.172 89.9 98.5-103.1 17.3 -74.2 71.1 82.1 171 181 A I E < +g 132 0B 1 -3,-1.7 2,-0.4 -40,-0.2 -38,-0.2 -0.917 43.6 174.1-111.1 125.1 -75.2 74.8 81.3 172 182 A I E -g 133 0B 2 -40,-2.0 -38,-3.2 -2,-0.5 2,-0.3 -0.970 18.5-146.1-121.6 141.1 -77.9 76.7 83.0 173 183 A L E -gh 134 203B 0 29,-3.0 31,-3.1 -2,-0.4 -38,-0.2 -0.699 11.3-170.0-107.9 162.3 -78.5 80.4 82.4 174 184 A D E -g 135 0B 6 -40,-1.3 -38,-2.3 -2,-0.3 31,-0.2 -0.953 24.1-142.2-153.6 126.4 -79.7 83.1 84.7 175 185 A P - 0 0 0 0, 0.0 4,-0.1 0, 0.0 30,-0.1 0.642 40.5-130.8 -65.7 -16.3 -80.8 86.7 83.8 176 186 A G > - 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