==== 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 3H2E . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 533 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 12.4 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 . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 4 2 0 0 2 0 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 6 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 . 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 0 167 0, 0.0 2,-0.5 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -45.8 -89.2 70.2 75.5 2 3 A W - 0 0 32 1,-0.1 14,-0.1 2,-0.0 13,-0.1 -0.894 360.0-164.7 -99.9 126.0 -85.8 69.1 77.0 3 4 A D S S+ 0 0 148 -2,-0.5 2,-0.3 12,-0.0 -1,-0.1 0.133 72.9 46.4 -94.6 19.5 -84.4 65.9 75.6 4 5 A Y S S- 0 0 29 174,-0.0 11,-0.4 2,-0.0 2,-0.3 -0.981 75.0-125.7-151.3 160.3 -82.0 65.5 78.5 5 6 A D - 0 0 69 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.796 36.0-104.0-103.5 151.8 -81.9 65.6 82.3 6 7 A L E -A 13 0A 1 7,-2.7 7,-2.8 -2,-0.3 2,-0.6 -0.677 36.9-147.0 -77.0 115.1 -79.5 67.7 84.3 7 8 A R E +A 12 0A 121 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.775 24.1 172.7 -92.3 115.8 -76.9 65.3 85.6 8 9 A C E > -A 11 0A 2 3,-2.5 3,-2.4 -2,-0.6 2,-0.3 -0.603 52.3 -98.4-121.8 67.2 -75.6 66.3 89.1 9 10 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -2,-0.3 107,-0.0 -0.391 111.1 8.2 59.7-113.6 -73.4 63.3 90.2 10 11 A E T 3 S+ 0 0 135 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.629 129.5 65.9 -69.2 -17.3 -75.5 61.2 92.5 11 12 A Y E < -A 8 0A 37 -3,-2.4 -3,-2.5 84,-0.0 2,-0.4 -0.769 62.7-160.2-110.8 154.1 -78.6 63.3 91.6 12 13 A T E -A 7 0A 75 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.994 6.5-155.9-134.0 126.1 -80.6 63.8 88.4 13 14 A L E -A 6 0A 15 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.4 -0.914 10.2-144.9-105.9 116.2 -82.9 66.8 87.8 14 15 A N - 0 0 51 -2,-0.6 4,-0.4 -9,-0.2 -9,-0.1 -0.662 7.0-162.3 -75.9 127.5 -85.8 66.3 85.3 15 16 A L S S+ 0 0 3 -2,-0.4 -1,-0.1 -11,-0.4 5,-0.1 0.530 82.0 51.0 -89.6 -8.3 -86.3 69.6 83.4 16 17 A N S S+ 0 0 55 -14,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.680 96.2 62.7-103.2 -23.0 -89.8 68.8 82.1 17 18 A E S S- 0 0 101 1,-0.2 2,-0.3 -3,-0.0 -2,-0.1 0.843 112.0 -15.7 -79.9 -36.4 -91.8 67.6 85.1 18 19 A K S S- 0 0 78 -4,-0.4 2,-0.3 232,-0.1 -1,-0.2 -0.984 74.7 -83.2-163.2 156.9 -91.9 70.7 87.4 19 20 A T - 0 0 3 -2,-0.3 2,-0.4 245,-0.2 232,-0.2 -0.563 52.0-125.3 -68.0 132.2 -90.3 74.1 88.0 20 21 A L E -b 251 0B 2 230,-2.7 232,-2.2 -2,-0.3 2,-0.6 -0.722 17.1-144.7 -89.1 130.9 -87.1 73.4 90.1 21 22 A I E -b 252 0B 4 -2,-0.4 36,-3.2 34,-0.3 37,-1.5 -0.835 9.6-165.3-100.0 119.7 -86.8 75.3 93.4 22 23 A M E -bc 253 58B 1 230,-2.9 232,-2.4 -2,-0.6 2,-0.3 -0.931 13.5-149.2-105.9 113.5 -83.3 76.5 94.5 23 24 A G E -bc 254 59B 0 35,-2.6 37,-2.7 -2,-0.6 2,-0.5 -0.645 14.3-126.8 -83.8 135.5 -83.3 77.5 98.1 24 25 A I E - c 0 60B 4 230,-2.0 2,-0.5 -2,-0.3 37,-0.2 -0.710 24.1-174.8 -87.2 122.3 -80.8 80.3 99.1 25 26 A L E - c 0 61B 3 35,-3.1 37,-2.0 -2,-0.5 2,-0.4 -0.969 5.2-173.2-112.9 112.5 -78.4 79.5 102.1 26 27 A N E - c 0 62B 52 -2,-0.5 37,-0.1 35,-0.2 38,-0.1 -0.911 29.9-108.9-101.7 136.7 -76.3 82.5 103.1 27 28 A V - 0 0 23 35,-1.9 14,-0.1 -2,-0.4 55,-0.0 -0.332 19.2-155.8 -60.0 138.5 -73.5 82.0 105.7 28 29 A T - 0 0 100 12,-0.3 15,-0.1 -2,-0.0 16,-0.1 -0.913 25.1-141.6-110.9 99.0 -74.0 83.5 109.1 29 30 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.334 7.1-124.6 -69.8 140.1 -70.4 83.9 110.4 30 31 A D > - 0 0 41 1,-0.1 3,-1.4 -2,-0.1 7,-0.1 -0.660 21.4-124.5 -79.8 138.7 -69.5 83.2 114.0 31 32 A S T 3 S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.652 101.6 38.4 -62.9 -24.3 -67.8 86.1 115.8 32 33 A F T 3 S+ 0 0 208 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.118 106.1 70.8-118.5 24.9 -64.7 84.3 117.0 33 34 A S < - 0 0 25 -3,-1.4 3,-0.1 1,-0.1 -3,-0.0 -0.957 64.0-140.4-136.7 162.5 -63.8 82.0 114.1 34 35 A D S S- 0 0 93 1,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.555 80.6 -64.1 -86.5 -13.5 -62.5 81.9 110.5 35 36 A G S S+ 0 0 16 46,-0.1 -1,-0.4 47,-0.0 46,-0.2 -0.711 104.5 71.3 146.1 163.1 -65.1 79.1 109.7 36 37 A G + 0 0 11 45,-0.3 273,-2.8 1,-0.2 274,-0.2 0.450 62.3 149.1 84.1 2.8 -66.2 75.6 110.4 37 38 A S B > -J 308 0C 23 271,-0.3 4,-2.6 272,-0.1 5,-0.3 -0.358 56.3-117.2 -73.3 149.3 -67.5 76.4 113.9 38 39 A Y H > S+ 0 0 9 269,-2.6 4,-3.4 1,-0.2 5,-0.3 0.905 110.4 47.8 -53.4 -51.6 -70.4 74.4 115.3 39 40 A N H > S+ 0 0 86 268,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 115.5 44.2 -60.2 -45.2 -72.8 77.2 115.6 40 41 A E H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -12,-0.3 0.934 119.8 40.5 -62.1 -51.6 -72.2 78.6 112.1 41 42 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.901 113.0 54.1 -71.9 -40.6 -72.3 75.2 110.4 42 43 A D H X S+ 0 0 16 -4,-3.4 4,-2.6 -5,-0.3 -1,-0.2 0.884 106.8 53.2 -56.5 -45.2 -75.2 73.9 112.5 43 44 A A H X S+ 0 0 29 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.905 110.3 47.8 -52.0 -47.7 -77.2 77.0 111.5 44 45 A A H X S+ 0 0 9 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.934 112.7 47.4 -60.3 -49.4 -76.5 76.2 107.8 45 46 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.926 112.1 49.6 -60.6 -45.8 -77.5 72.5 108.2 46 47 A R H X S+ 0 0 143 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.869 112.4 47.5 -63.2 -39.7 -80.7 73.3 110.0 47 48 A H H X S+ 0 0 67 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.908 110.5 51.7 -70.3 -40.5 -81.8 75.8 107.4 48 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.886 110.3 49.6 -59.8 -39.3 -80.9 73.4 104.5 49 50 A K H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.875 110.3 49.7 -66.9 -40.4 -83.1 70.7 106.2 50 51 A E H X S+ 0 0 115 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.923 111.9 48.3 -61.8 -46.1 -86.0 73.2 106.6 51 52 A M H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.3 0.899 110.7 51.8 -63.7 -41.7 -85.8 74.2 102.9 52 53 A R H ><5S+ 0 0 90 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.939 108.4 50.8 -55.5 -49.2 -85.7 70.5 101.9 53 54 A D H 3<5S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.759 110.7 50.2 -64.3 -27.5 -88.8 69.8 104.0 54 55 A E T 3<5S- 0 0 57 -4,-1.4 -1,-0.3 -3,-0.2 207,-0.2 0.300 132.0 -78.4 -97.9 9.3 -90.7 72.7 102.3 55 56 A G T < 5S+ 0 0 26 -3,-1.5 -34,-0.3 -4,-0.3 -3,-0.2 0.486 71.3 150.9 119.8 3.9 -89.9 71.8 98.7 56 57 A A < - 0 0 5 -5,-2.5 -1,-0.3 1,-0.1 -34,-0.2 -0.403 22.1-172.8 -68.3 144.5 -86.4 72.8 97.7 57 58 A H S S+ 0 0 34 -36,-3.2 2,-0.3 1,-0.3 -35,-0.2 0.536 75.1 27.1-107.9 -16.0 -84.7 70.7 94.9 58 59 A I E -c 22 0B 0 -37,-1.5 -35,-2.6 37,-0.1 2,-0.5 -0.990 68.6-143.0-146.8 142.8 -81.3 72.4 95.2 59 60 A I E -cd 23 97B 0 37,-2.1 39,-2.4 -2,-0.3 2,-0.5 -0.965 15.9-155.5-110.2 120.0 -79.5 74.1 98.1 60 61 A D E -cd 24 98B 0 -37,-2.7 -35,-3.1 -2,-0.5 2,-0.5 -0.860 9.7-160.7 -99.7 120.5 -77.4 77.2 96.9 61 62 A I E -cd 25 99B 0 37,-3.0 39,-2.6 -2,-0.5 2,-0.4 -0.867 8.2-174.6-111.2 127.7 -74.5 78.0 99.3 62 63 A G E -cd 26 100B 1 -37,-2.0 -35,-1.9 -2,-0.5 39,-0.1 -0.976 9.1-153.8-125.9 131.2 -72.8 81.4 99.4 63 64 A G > - 0 0 6 37,-0.5 3,-0.9 -2,-0.4 15,-0.1 -0.043 45.3 -80.5 -80.0-168.0 -69.8 82.6 101.4 64 65 A E T 3 S+ 0 0 71 1,-0.2 7,-2.2 14,-0.1 14,-0.0 0.748 121.1 63.1 -70.7 -28.8 -69.0 86.1 102.5 65 66 A S T 3 S+ 0 0 3 5,-0.2 -1,-0.2 4,-0.1 2,-0.1 0.528 99.0 63.9 -76.2 -9.9 -67.6 87.3 99.1 66 67 A T S X> S- 0 0 2 -3,-0.9 4,-2.2 1,-0.2 3,-0.6 -0.437 88.7 -16.2-105.5-177.2 -70.8 86.8 97.2 67 68 A R T 34 S+ 0 0 16 1,-0.3 -1,-0.2 2,-0.2 33,-0.1 -0.271 111.8 19.2 -58.8 147.3 -74.3 88.4 97.4 68 69 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.995 134.7 29.3 -87.1 -9.3 -75.9 90.1 99.3 69 70 A G T <4 S- 0 0 60 -3,-0.6 -2,-0.2 2,-0.0 -4,-0.1 0.750 70.6-161.3 -86.0 -29.8 -72.9 91.3 101.2 70 71 A F < - 0 0 103 -4,-2.2 -5,-0.2 1,-0.1 -3,-0.1 0.808 21.5-173.7 47.3 42.2 -70.0 91.3 98.7 71 72 A A - 0 0 42 -7,-2.2 2,-0.9 -5,-0.4 -1,-0.1 -0.312 29.6-116.8 -63.8 142.4 -67.3 91.4 101.5 72 73 A K + 0 0 218 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.771 55.9 150.4 -82.6 111.6 -63.7 91.8 100.3 73 74 A V - 0 0 19 -2,-0.9 -8,-0.0 -8,-0.1 -3,-0.0 -0.996 44.3-111.1-146.3 140.5 -62.1 88.5 101.5 74 75 A S > - 0 0 59 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.198 30.7-110.8 -68.5 162.4 -59.2 86.5 100.1 75 76 A V H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.904 117.5 54.4 -58.9 -44.5 -59.7 83.0 98.5 76 77 A E H > S+ 0 0 152 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 110.8 45.2 -58.6 -43.8 -58.0 81.3 101.4 77 78 A E H > S+ 0 0 105 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.840 111.1 53.1 -67.2 -38.0 -60.4 82.9 104.0 78 79 A E H X S+ 0 0 6 -4,-1.9 4,-2.7 1,-0.2 3,-0.5 0.886 106.8 52.2 -67.8 -38.3 -63.4 82.1 101.8 79 80 A I H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.852 103.1 58.8 -64.2 -38.6 -62.5 78.4 101.6 80 81 A K H < S+ 0 0 105 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.776 116.2 33.9 -58.9 -31.9 -62.2 78.1 105.4 81 82 A R H X S+ 0 0 23 -4,-0.8 4,-0.8 -3,-0.5 -45,-0.3 0.850 122.5 43.1 -93.3 -44.3 -65.8 79.2 105.8 82 83 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 3,-0.4 0.902 105.2 58.8 -74.4 -44.4 -67.4 77.7 102.7 83 84 A V H X S+ 0 0 22 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.919 104.5 49.9 -57.4 -49.6 -65.8 74.2 102.6 84 85 A P H > S+ 0 0 30 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.832 110.6 51.7 -55.5 -33.6 -67.1 73.1 106.1 85 86 A M H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.4 5,-0.3 0.928 111.3 45.9 -69.6 -46.3 -70.6 74.2 105.2 86 87 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.924 111.5 53.1 -62.0 -44.0 -70.6 72.2 101.9 87 88 A Q H X S+ 0 0 91 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.926 115.6 38.8 -55.1 -50.5 -69.2 69.1 103.7 88 89 A A H X S+ 0 0 6 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.906 118.2 46.6 -70.0 -45.5 -71.9 69.1 106.4 89 90 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.948 112.2 50.9 -65.7 -44.4 -74.8 70.0 104.2 90 91 A S H < S+ 0 0 21 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.832 115.0 43.4 -64.2 -32.5 -73.9 67.5 101.5 91 92 A K H < S+ 0 0 160 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.852 122.8 36.2 -75.6 -37.2 -73.6 64.7 104.0 92 93 A E H < S+ 0 0 40 -4,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.651 113.7 52.6 -98.2 -17.7 -76.8 65.6 105.9 93 94 A V S < S- 0 0 1 -4,-2.8 2,-1.7 -5,-0.2 -1,-0.2 -0.983 72.1-143.5-124.1 121.7 -79.2 66.8 103.2 94 95 A K + 0 0 114 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.437 64.4 99.5 -86.9 65.6 -79.8 64.6 100.2 95 96 A L S S- 0 0 29 -2,-1.7 -37,-0.1 -6,-0.2 -2,-0.1 -0.973 81.2 -90.3-137.6 154.0 -80.2 67.3 97.5 96 97 A P - 0 0 4 0, 0.0 -37,-2.1 0, 0.0 2,-0.4 -0.358 42.8-139.8 -59.0 147.8 -77.7 68.7 94.9 97 98 A I E -d 59 0B 0 17,-0.3 19,-3.2 -39,-0.2 20,-1.7 -0.952 9.5-156.8-116.8 134.7 -75.7 71.6 96.1 98 99 A S E -de 60 117B 0 -39,-2.4 -37,-3.0 -2,-0.4 2,-0.6 -0.907 10.1-143.9-105.8 135.3 -74.8 74.7 94.2 99 100 A I E -de 61 118B 1 18,-2.8 20,-2.9 -2,-0.4 2,-1.1 -0.896 10.7-148.9 -98.6 120.4 -71.8 76.9 95.1 100 101 A D E +de 62 119B 1 -39,-2.6 -37,-0.5 -2,-0.6 2,-0.3 -0.759 49.9 116.5 -91.8 96.0 -72.5 80.6 94.5 101 102 A T - 0 0 1 18,-1.4 21,-0.1 -2,-1.1 -2,-0.1 -0.986 54.5-155.5-156.4 150.9 -69.1 82.1 93.5 102 103 A Y S S+ 0 0 55 -2,-0.3 2,-0.5 18,-0.2 25,-0.3 0.421 72.0 100.2-103.8 -1.9 -67.3 83.8 90.6 103 104 A K > - 0 0 18 1,-0.1 4,-2.2 23,-0.1 5,-0.2 -0.744 64.5-148.9 -91.2 127.1 -63.8 82.6 91.9 104 105 A A H > S+ 0 0 8 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.840 97.0 49.2 -63.5 -38.0 -62.3 79.6 90.1 105 106 A E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 109.8 51.2 -72.8 -37.1 -60.4 78.4 93.2 106 107 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.937 111.3 48.9 -59.9 -46.6 -63.5 78.6 95.5 107 108 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.914 111.0 49.8 -60.2 -46.5 -65.5 76.6 92.9 108 109 A K H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.965 114.0 43.5 -59.4 -52.9 -62.8 73.9 92.6 109 110 A Q H X S+ 0 0 67 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.861 113.5 54.0 -60.2 -35.9 -62.5 73.5 96.4 110 111 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.2 4,-0.6 0.917 108.5 47.1 -65.4 -44.3 -66.3 73.6 96.7 111 112 A I H ><5S+ 0 0 17 -4,-2.6 3,-1.4 3,-0.2 -2,-0.2 0.937 111.6 51.6 -63.6 -44.2 -66.8 70.8 94.2 112 113 A E H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 107.5 54.0 -58.4 -33.2 -64.1 68.7 96.0 113 114 A A H 3<5S- 0 0 16 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.596 136.9 -81.2 -80.6 -10.5 -66.0 69.3 99.2 114 115 A G T <<5S+ 0 0 23 -3,-1.4 -17,-0.3 -4,-0.6 -3,-0.2 0.449 78.3 142.9 127.3 2.8 -69.2 67.9 97.7 115 116 A A < - 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0 0 0 0, 0.0 -29,-3.0 0, 0.0 2,-0.4 -0.354 42.2-138.5 -62.3 147.4 -73.8 60.5 148.6 475 213 B V B -r 445 0E 1 36,-0.3 38,-2.3 -31,-0.2 39,-1.6 -0.938 10.3-158.2-116.4 131.5 -71.2 58.4 146.8 476 214 B L E -s 514 0E 0 -31,-3.4 2,-0.5 -2,-0.4 39,-0.2 -0.912 10.0-153.1-101.7 132.1 -70.5 58.2 143.1 477 215 B L E +s 515 0E 1 37,-2.6 39,-2.8 -2,-0.5 2,-0.4 -0.917 13.9 179.0-105.4 132.3 -68.7 55.1 141.7 478 216 B G + 0 0 7 -2,-0.5 39,-0.1 37,-0.2 -29,-0.1 -0.809 29.7 129.8-134.0 95.0 -66.6 55.4 138.6 479 217 B T > + 0 0 2 37,-0.4 3,-2.0 -2,-0.4 6,-0.2 0.319 26.9 150.3-122.3 1.7 -65.0 52.1 137.5 480 218 B S T 3 S- 0 0 4 36,-0.9 17,-0.1 1,-0.3 37,-0.0 -0.157 78.5 -23.1 -61.5 120.0 -66.0 52.0 133.8 481 219 B R T 3 S+ 0 0 83 15,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.606 92.6 165.2 63.0 18.5 -63.5 50.2 131.6 482 220 B K X> - 0 0 47 -3,-2.0 3,-1.5 1,-0.1 4,-1.0 -0.202 49.5-111.0 -73.6 158.8 -60.6 50.8 134.1 483 221 B S H 3> S+ 0 0 92 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.800 110.9 66.5 -66.0 -28.6 -57.4 49.0 133.9 484 222 B F H 3> S+ 0 0 6 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.786 100.7 53.5 -61.8 -24.6 -57.9 46.9 137.1 485 223 B I H <> S+ 0 0 7 -3,-1.5 4,-2.6 2,-0.2 5,-0.2 0.903 108.1 48.3 -72.0 -44.2 -60.8 45.1 135.3 486 224 B G H X>S+ 0 0 8 -4,-1.0 4,-2.3 1,-0.2 5,-0.9 0.852 108.9 55.9 -61.4 -36.0 -58.5 44.3 132.3 487 225 B H H <5S+ 0 0 113 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.882 112.0 40.5 -63.4 -41.6 -55.9 43.0 134.9 488 226 B V H <5S+ 0 0 86 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.923 127.7 32.3 -72.7 -45.6 -58.4 40.5 136.4 489 227 B L H <5S- 0 0 80 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.661 97.4-130.3 -85.7 -18.3 -60.0 39.4 133.1 490 228 B D T <5 + 0 0 144 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.962 62.9 135.1 56.5 56.4 -56.9 39.8 130.8 491 229 B L < - 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