==== 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 28-SEP-00 1FY6 . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.S.DUEWEL,S.RADAEV,J.WANG,R.W.WOODARD,D.L.GATTI . 512 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 0 4 0 0 1 1 2 2 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 1002 A E 0 0 200 0, 0.0 2,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 148.0 9.0 48.1 30.3 2 1003 A K - 0 0 109 1,-0.1 2,-0.2 33,-0.1 33,-0.2 -0.389 360.0-123.2 -62.6 125.8 11.4 50.7 31.6 3 1004 A F E -a 35 0A 2 31,-0.9 33,-3.0 -2,-0.2 2,-0.4 -0.496 22.5-135.2 -73.0 137.9 13.4 52.3 28.8 4 1005 A L E -ab 36 213A 8 208,-2.0 210,-2.4 31,-0.2 2,-0.5 -0.780 18.7-173.4 -99.3 134.4 17.2 52.0 29.1 5 1006 A V E -ab 37 214A 0 31,-2.2 33,-2.0 -2,-0.4 2,-0.6 -0.969 3.6-170.1-127.5 110.7 19.5 55.0 28.4 6 1007 A I E +ab 38 215A 0 208,-2.8 210,-2.9 -2,-0.5 2,-0.3 -0.924 25.7 152.2-101.3 118.9 23.2 54.0 28.5 7 1008 A A E +ab 39 216A 2 31,-2.1 33,-2.6 -2,-0.6 210,-0.2 -0.975 3.0 108.2-148.4 161.6 25.3 57.2 28.4 8 1009 A G E - b 0 217A 1 208,-1.1 210,-1.9 -2,-0.3 33,-0.1 -0.852 67.5 -43.5 153.3 174.0 28.7 58.7 29.4 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 210,-0.1 -0.407 50.5-125.1 -68.5 142.2 32.0 59.9 28.0 10 1011 A C S S+ 0 0 0 217,-0.2 32,-2.2 31,-0.2 2,-0.3 0.947 91.7 22.8 -50.7 -56.1 33.5 57.6 25.4 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.2 216,-0.2 3,-0.2 -0.833 83.2-112.4-117.6 153.1 36.8 57.3 27.3 12 1013 A I + 0 0 3 30,-2.1 45,-0.3 -2,-0.3 3,-0.1 -0.522 43.8 166.8 -81.6 74.3 37.8 57.6 30.9 13 1014 A E - 0 0 31 -2,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.813 69.0 -26.3 -58.8 -31.7 40.0 60.7 30.2 14 1015 A S > - 0 0 32 -3,-0.2 4,-1.7 1,-0.1 -1,-0.2 -0.941 59.2-106.7-175.3 160.1 40.0 61.3 34.0 15 1016 A E H > S+ 0 0 44 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.775 119.5 59.8 -68.9 -24.6 38.0 60.6 37.1 16 1017 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 102.3 49.9 -66.7 -49.4 37.1 64.3 37.1 17 1018 A L H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 110.6 51.7 -54.4 -45.8 35.5 64.0 33.7 18 1019 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.867 107.9 50.4 -60.5 -40.6 33.5 61.0 34.9 19 1020 A L H X S+ 0 0 41 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.875 109.7 51.1 -66.9 -37.8 32.2 62.8 38.0 20 1021 A K H X S+ 0 0 108 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.916 115.6 40.9 -65.6 -44.6 31.0 65.8 36.0 21 1022 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 114.0 53.0 -70.1 -43.3 29.1 63.6 33.5 22 1023 A G H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.848 103.6 57.7 -60.7 -35.7 27.8 61.3 36.2 23 1024 A E H X S+ 0 0 127 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.932 110.2 43.3 -60.4 -46.1 26.5 64.3 38.1 24 1025 A E H X S+ 0 0 31 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.877 113.9 50.4 -67.9 -39.2 24.4 65.3 35.1 25 1026 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.913 110.0 51.4 -65.9 -39.9 23.3 61.7 34.5 26 1027 A K H X S+ 0 0 67 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.921 109.5 50.0 -61.3 -43.7 22.3 61.5 38.2 27 1028 A R H >X S+ 0 0 115 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.936 111.6 48.1 -60.9 -45.8 20.2 64.6 37.9 28 1029 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.847 105.0 58.9 -64.7 -33.6 18.5 63.3 34.8 29 1030 A S H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 105.2 50.7 -66.3 -27.8 17.8 60.0 36.5 30 1031 A E H << S+ 0 0 98 -4,-1.2 3,-0.4 -3,-0.6 -1,-0.2 0.841 115.9 41.7 -76.8 -33.6 15.8 61.9 39.1 31 1032 A K H < S+ 0 0 114 -4,-1.4 2,-1.5 1,-0.2 -2,-0.2 0.953 115.6 47.2 -76.7 -53.4 13.8 63.8 36.5 32 1033 A F >< + 0 0 4 -4,-3.4 3,-2.0 1,-0.2 -1,-0.2 -0.536 66.5 163.9 -91.4 71.0 13.2 60.9 34.1 33 1034 A K T 3 + 0 0 136 -2,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 0.637 69.9 63.9 -63.8 -15.5 12.1 58.3 36.7 34 1035 A E T 3 S+ 0 0 96 -3,-0.2 -31,-0.9 -32,-0.0 2,-0.3 0.451 94.3 80.6 -87.5 0.9 10.5 56.1 34.0 35 1036 A V E < S-a 3 0A 4 -3,-2.0 2,-0.7 -6,-0.2 -31,-0.2 -0.836 71.5-143.3-108.9 143.7 14.1 55.6 32.6 36 1037 A E E -a 4 0A 51 -33,-3.0 -31,-2.2 -2,-0.3 2,-0.3 -0.923 24.5-156.7-104.7 110.7 16.8 53.2 33.8 37 1038 A F E -a 5 0A 16 -2,-0.7 39,-0.7 -33,-0.2 2,-0.4 -0.640 12.3-171.8 -90.1 147.4 20.1 55.0 33.4 38 1039 A V E -ac 6 76A 0 -33,-2.0 -31,-2.1 -2,-0.3 2,-0.4 -0.977 20.6-134.4-138.0 120.7 23.5 53.2 33.1 39 1040 A F E -ac 7 77A 0 37,-2.8 39,-2.0 -2,-0.4 2,-0.4 -0.630 27.1-167.3 -79.4 129.4 26.7 55.2 33.2 40 1041 A K E + c 0 78A 3 -33,-2.6 2,-0.3 -2,-0.4 39,-0.2 -0.940 21.9 140.5-125.6 142.0 29.2 54.1 30.5 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.873 39.8-121.9-170.9 140.5 32.9 54.8 29.8 42 1043 A S B -i 11 0B 0 -32,-2.2 -30,-2.1 -33,-0.3 3,-0.1 -0.762 3.7-158.4 -94.8 132.2 35.8 52.7 28.5 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.7 37,-0.3 14,-0.4 0.635 86.9 24.7 -78.3 -13.0 39.0 52.2 30.5 44 1045 A D - 0 0 18 36,-0.2 2,-1.1 12,-0.1 -1,-0.2 -0.955 57.8-152.7-156.2 133.0 40.7 51.4 27.3 45 1046 A K > + 0 0 20 10,-1.7 3,-0.7 -2,-0.3 11,-0.1 -0.840 29.7 171.9-101.5 88.4 40.2 52.1 23.6 46 1047 A A T 3 + 0 0 3 -2,-1.1 320,-1.7 1,-0.2 321,-0.4 0.423 67.1 50.2 -81.0 -1.1 41.9 48.9 22.5 47 1048 A N T 3 + 0 0 44 318,-0.2 -1,-0.2 319,-0.1 318,-0.1 0.020 68.4 150.5-129.1 30.2 41.0 49.3 18.8 48 1049 A R < - 0 0 52 -3,-0.7 318,-0.1 1,-0.1 7,-0.0 -0.254 49.7-128.7 -59.8 151.1 42.1 52.8 17.7 49 1050 A S S S+ 0 0 38 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.935 91.4 51.2 -67.1 -45.0 43.0 53.1 14.1 50 1051 A S S > S- 0 0 25 1,-0.1 3,-1.3 347,-0.1 -2,-0.1 -0.737 71.7-141.8-100.7 143.3 46.3 54.8 14.9 51 1052 A I T 3 S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.692 104.3 60.6 -69.9 -18.0 49.0 53.8 17.4 52 1053 A H T 3 S+ 0 0 139 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.486 85.9 102.1 -89.1 -2.1 49.4 57.5 18.3 53 1054 A S S < S- 0 0 41 -3,-1.3 2,-0.2 1,-0.1 -5,-0.1 -0.394 84.2 -85.8 -83.1 160.2 45.8 57.9 19.5 54 1055 A F + 0 0 48 172,-0.5 -1,-0.1 1,-0.2 -2,-0.1 -0.423 44.4 168.3 -66.6 128.9 44.5 58.0 23.1 55 1056 A R - 0 0 56 1,-0.3 -10,-1.7 -2,-0.2 2,-0.3 0.783 44.7-103.1-107.1 -48.5 43.9 54.6 24.7 56 1057 A G - 0 0 26 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.961 29.8 -74.2 152.0-168.7 43.4 55.3 28.3 57 1058 A H S S- 0 0 97 -14,-0.4 4,-0.4 1,-0.3 -13,-0.1 0.101 81.5 -88.1-113.3 20.7 44.9 55.1 31.8 58 1059 A G > - 0 0 37 -15,-0.7 4,-2.1 2,-0.1 -1,-0.3 0.073 38.5 -81.8 92.4 156.7 44.7 51.3 32.3 59 1060 A L H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.923 122.7 54.7 -59.8 -52.0 42.1 48.9 33.7 60 1061 A E H > S+ 0 0 172 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.933 111.9 43.9 -49.7 -53.9 43.0 49.4 37.4 61 1062 A Y H > S+ 0 0 88 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.915 114.5 49.7 -59.1 -47.2 42.5 53.2 37.2 62 1063 A G H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.881 108.9 49.5 -62.2 -43.9 39.3 53.0 35.2 63 1064 A V H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.883 112.5 49.5 -63.6 -38.5 37.6 50.4 37.4 64 1065 A K H X S+ 0 0 126 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.914 111.9 48.5 -65.8 -42.7 38.4 52.6 40.4 65 1066 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.920 112.8 47.1 -63.3 -46.2 37.1 55.7 38.6 66 1067 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.880 108.4 55.4 -63.4 -39.8 33.8 53.9 37.6 67 1068 A R H X S+ 0 0 94 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.867 104.2 55.5 -61.6 -34.6 33.4 52.6 41.2 68 1069 A K H X S+ 0 0 65 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.888 107.2 49.3 -64.9 -39.4 33.6 56.2 42.4 69 1070 A V H X>S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.5 0.957 112.3 46.5 -64.3 -50.8 30.7 57.1 40.1 70 1071 A K H X5S+ 0 0 58 -4,-2.4 4,-1.5 3,-0.2 -2,-0.2 0.880 118.1 44.5 -58.2 -39.3 28.6 54.2 41.3 71 1072 A E H <5S+ 0 0 132 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.943 117.7 40.8 -71.0 -51.2 29.4 55.1 44.9 72 1073 A E H <5S+ 0 0 93 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.810 134.1 20.4 -70.4 -31.3 29.0 58.9 44.6 73 1074 A F H <5S- 0 0 26 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.551 93.4-126.4-116.3 -11.2 25.9 58.8 42.5 74 1075 A G << + 0 0 56 -4,-1.5 2,-0.3 -5,-0.5 -4,-0.2 0.877 56.7 151.9 66.5 37.2 24.4 55.3 43.0 75 1076 A L - 0 0 10 -6,-0.5 -1,-0.2 1,-0.1 -37,-0.1 -0.762 49.9-109.6-103.6 148.2 24.3 54.7 39.2 76 1077 A K E -c 38 0A 85 -39,-0.7 -37,-2.8 -2,-0.3 2,-0.3 -0.370 39.0-140.7 -68.8 154.3 24.6 51.4 37.4 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.5 -39,-0.2 19,-1.9 -0.919 23.2 175.0-126.2 146.5 27.8 50.9 35.5 78 1079 A T E +cd 40 96A 0 -39,-2.0 -37,-1.2 -2,-0.3 2,-0.3 -0.993 8.4 156.6-146.6 143.7 28.9 49.5 32.1 79 1080 A T E - d 0 97A 0 17,-1.0 19,-2.6 -2,-0.3 2,-0.3 -0.956 36.7-103.7-157.3 163.1 32.3 49.3 30.3 80 1081 A D E - d 0 98A 10 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.706 20.5-149.9-102.9 150.3 33.8 47.1 27.7 81 1082 A I - 0 0 0 17,-1.8 3,-0.1 -2,-0.3 32,-0.0 -0.813 6.9-169.2-111.2 156.2 36.4 44.3 27.9 82 1083 A H S S+ 0 0 18 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.579 70.9 26.7-121.4 -18.7 38.9 43.3 25.2 83 1084 A E S > S- 0 0 24 26,-0.1 3,-1.7 259,-0.1 4,-0.4 -0.972 84.6-105.3-143.9 154.3 40.4 40.0 26.4 84 1085 A S G > S+ 0 0 29 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.806 110.9 63.8 -49.0 -42.5 39.0 37.2 28.6 85 1086 A W G 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.705 94.1 63.8 -60.8 -19.8 41.1 38.0 31.7 86 1087 A Q G <> S+ 0 0 12 -3,-1.7 4,-2.3 1,-0.2 5,-0.3 0.746 82.9 76.4 -78.5 -21.8 39.4 41.4 32.1 87 1088 A A H <> S+ 0 0 3 -3,-1.4 4,-2.9 -4,-0.4 -1,-0.2 0.917 92.2 51.3 -55.0 -50.8 35.9 40.1 32.7 88 1089 A E H > S+ 0 0 161 -4,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.956 115.1 39.1 -54.6 -59.3 36.5 39.1 36.4 89 1090 A P H >4 S+ 0 0 33 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.890 118.3 49.3 -60.9 -38.0 38.0 42.4 37.6 90 1091 A V H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-1.7 0.886 100.1 65.1 -67.6 -38.1 35.6 44.4 35.6 91 1092 A A H 3< S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.1 0.685 87.0 73.5 -58.6 -18.9 32.6 42.4 36.9 92 1093 A E T << S+ 0 0 134 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.874 117.9 12.7 -64.0 -35.5 33.4 43.8 40.3 93 1094 A V T <4 S+ 0 0 2 -3,-1.7 2,-0.4 -4,-0.4 -16,-0.3 0.733 108.4 89.3-111.7 -32.0 32.0 47.2 39.3 94 1095 A A < - 0 0 0 -4,-2.8 -16,-0.2 1,-0.2 3,-0.2 -0.559 45.3-171.3 -79.7 127.7 30.2 46.8 36.0 95 1096 A D S S+ 0 0 35 -18,-2.5 24,-2.0 -2,-0.4 2,-0.4 0.776 87.3 31.6 -80.3 -30.9 26.5 45.9 36.1 96 1097 A I E S-de 78 119A 2 -19,-1.9 -17,-1.0 22,-0.2 2,-0.5 -0.991 77.4-149.4-131.6 122.4 26.6 45.3 32.3 97 1098 A I E -de 79 120A 0 22,-3.1 24,-2.4 -2,-0.4 2,-0.4 -0.825 18.5-144.5 -93.9 124.6 29.7 44.0 30.6 98 1099 A Q E -de 80 121A 6 -19,-2.6 -17,-1.8 -2,-0.5 24,-0.2 -0.741 4.8-151.8 -95.9 135.7 30.0 45.3 27.0 99 1100 A I E - e 0 122A 0 22,-2.8 24,-2.5 -2,-0.4 5,-0.1 -0.917 26.3-120.2-104.7 120.5 31.5 43.3 24.1 100 1101 A P > - 0 0 12 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.194 20.0-116.6 -58.2 150.6 33.1 45.5 21.4 101 1102 A A G > S+ 0 0 9 1,-0.2 3,-1.4 2,-0.2 26,-0.2 0.895 114.5 50.8 -54.8 -47.9 31.7 45.2 17.8 102 1103 A F G 3 S+ 0 0 5 1,-0.2 3,-0.3 23,-0.1 -1,-0.2 0.792 113.9 48.0 -63.9 -23.8 34.9 43.8 16.2 103 1104 A L G X S+ 0 0 3 -3,-0.7 3,-1.7 1,-0.2 -1,-0.2 0.246 72.9 112.6-102.5 13.4 34.9 41.1 19.0 104 1105 A C T < S+ 0 0 1 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.599 82.1 45.4 -63.7 -12.4 31.3 40.0 18.8 105 1106 A R T 3 S+ 0 0 37 -3,-0.3 2,-1.1 -4,-0.1 -1,-0.3 0.387 78.1 115.0-111.2 3.0 32.2 36.6 17.5 106 1107 A Q X> - 0 0 15 -3,-1.7 4,-1.9 1,-0.2 3,-0.7 -0.623 52.4-160.0 -76.8 100.9 35.2 35.8 19.9 107 1108 A T H 3> S+ 0 0 3 198,-1.9 4,-2.5 -2,-1.1 5,-0.2 0.849 83.8 49.8 -50.8 -47.1 33.8 32.8 21.8 108 1109 A D H 3> S+ 0 0 63 197,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.820 108.9 52.8 -66.1 -31.0 36.1 33.0 24.9 109 1110 A L H <> S+ 0 0 3 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.936 111.9 45.2 -69.7 -45.2 35.4 36.7 25.5 110 1111 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.930 115.1 47.8 -62.3 -46.5 31.6 36.2 25.4 111 1112 A L H X S+ 0 0 30 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.883 108.5 55.2 -62.8 -37.3 31.9 33.1 27.7 112 1113 A A H < S+ 0 0 11 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.880 112.0 43.5 -63.6 -38.2 34.2 35.1 30.1 113 1114 A A H ><>S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 5,-0.5 0.929 110.3 55.4 -71.9 -46.7 31.5 37.8 30.4 114 1115 A A H ><5S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.831 101.5 56.2 -56.3 -40.4 28.6 35.4 30.8 115 1116 A K T 3<5S+ 0 0 157 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.560 89.8 74.6 -74.2 -7.2 30.1 33.4 33.8 116 1117 A T T < 5S- 0 0 42 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.695 102.9-125.7 -76.8 -17.8 30.5 36.6 35.9 117 1118 A G T < 5S+ 0 0 53 -3,-1.2 -3,-0.1 -4,-0.3 -2,-0.1 0.386 70.4 124.3 88.9 -4.7 26.7 36.6 36.4 118 1119 A R S - 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