==== 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 24-SEP-00 1FWW . 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 . 518 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.7 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 . 1 0.2 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 . 35 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 4 0 0 1 2 1 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 7 3 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 3 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 . 5 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 0 187 0, 0.0 2,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 153.0 9.0 47.6 30.4 2 1003 A K - 0 0 106 1,-0.1 2,-0.2 33,-0.1 33,-0.2 -0.472 360.0-124.6 -68.8 128.2 11.5 50.2 31.7 3 1004 A F E -a 35 0A 2 31,-1.1 33,-3.2 -2,-0.2 2,-0.4 -0.518 21.3-136.5 -75.9 137.1 13.4 51.9 28.9 4 1005 A L E -ab 36 217A 4 212,-2.0 214,-2.3 -2,-0.2 2,-0.5 -0.795 17.7-173.3-100.0 133.0 17.2 51.7 29.1 5 1006 A V E -ab 37 218A 0 31,-2.4 33,-2.1 -2,-0.4 2,-0.6 -0.957 4.3-169.6-124.6 110.0 19.4 54.7 28.4 6 1007 A I E +ab 38 219A 0 212,-3.0 214,-2.9 -2,-0.5 2,-0.3 -0.895 25.3 153.3 -99.1 121.0 23.2 53.8 28.3 7 1008 A A E +ab 39 220A 2 31,-2.2 33,-1.9 -2,-0.6 214,-0.2 -0.999 2.6 105.4-152.1 153.1 25.2 57.0 28.3 8 1009 A G E - b 0 221A 0 212,-1.2 214,-1.9 -2,-0.3 33,-0.1 -0.929 67.9 -42.8 161.2 177.6 28.6 58.5 29.2 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 214,-0.1 -0.463 50.9-125.1 -70.1 141.0 31.9 59.7 27.8 10 1011 A C S S+ 0 0 0 221,-0.2 32,-2.3 31,-0.2 2,-0.3 0.929 92.1 21.4 -49.0 -53.8 33.4 57.4 25.2 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.2 220,-0.2 3,-0.2 -0.873 83.1-112.0-121.6 152.2 36.7 57.0 27.1 12 1013 A I + 0 0 2 30,-2.2 45,-0.3 -2,-0.3 3,-0.1 -0.535 44.0 166.2 -80.1 77.0 37.7 57.5 30.7 13 1014 A E S S- 0 0 31 -2,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.854 70.2 -22.7 -62.0 -33.3 39.8 60.5 29.9 14 1015 A S > - 0 0 36 -3,-0.2 4,-1.8 1,-0.1 -1,-0.3 -0.956 59.8-109.8-170.9 157.3 39.9 61.2 33.7 15 1016 A E H > S+ 0 0 41 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.822 118.8 60.3 -64.9 -28.8 37.9 60.4 36.8 16 1017 A E H > S+ 0 0 160 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 101.9 50.2 -63.0 -48.1 37.0 64.1 36.8 17 1018 A L H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.929 110.0 51.9 -55.9 -47.0 35.3 63.8 33.4 18 1019 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.912 109.0 48.9 -57.3 -45.8 33.3 60.8 34.7 19 1020 A L H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.852 110.0 51.8 -64.9 -34.7 32.1 62.6 37.7 20 1021 A K H X S+ 0 0 110 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.922 116.1 39.6 -68.3 -43.6 31.0 65.7 35.7 21 1022 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.910 113.9 55.3 -70.8 -41.9 29.0 63.5 33.3 22 1023 A G H X S+ 0 0 0 -4,-3.2 4,-2.8 -5,-0.3 5,-0.2 0.878 102.1 57.1 -58.1 -39.8 27.8 61.3 36.1 23 1024 A E H X S+ 0 0 127 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.941 110.4 43.6 -57.2 -48.6 26.4 64.3 37.9 24 1025 A E H X S+ 0 0 36 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.888 112.9 50.9 -65.6 -41.4 24.2 65.2 34.9 25 1026 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.906 109.9 51.2 -64.3 -38.8 23.1 61.6 34.3 26 1027 A K H X S+ 0 0 65 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.930 108.3 52.0 -62.6 -44.2 22.1 61.3 38.0 27 1028 A R H X S+ 0 0 115 -4,-2.2 4,-1.2 1,-0.2 3,-0.5 0.933 111.8 46.7 -57.8 -45.0 20.1 64.5 37.7 28 1029 A L H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 -1,-0.2 0.845 105.6 58.4 -67.4 -33.7 18.3 63.1 34.6 29 1030 A S H < S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 105.2 52.0 -66.9 -25.6 17.6 59.7 36.3 30 1031 A E H < S+ 0 0 94 -4,-1.4 3,-0.3 -3,-0.5 -1,-0.2 0.815 116.8 39.4 -77.7 -31.3 15.8 61.7 39.0 31 1032 A K H < S+ 0 0 111 -4,-1.2 2,-1.7 1,-0.2 -2,-0.2 0.951 116.3 47.4 -81.1 -57.0 13.7 63.4 36.4 32 1033 A F >< + 0 0 5 -4,-3.5 3,-1.7 1,-0.2 -1,-0.2 -0.569 66.2 164.7 -87.8 75.8 13.1 60.5 34.0 33 1034 A K T 3 + 0 0 139 -2,-1.7 -1,-0.2 -3,-0.3 -4,-0.1 0.619 69.7 64.8 -68.1 -12.7 12.1 57.9 36.5 34 1035 A E T 3 S+ 0 0 97 -3,-0.1 -31,-1.1 -32,-0.1 2,-0.4 0.443 93.3 80.9 -88.0 0.5 10.6 55.7 33.8 35 1036 A V E < S-a 3 0A 4 -3,-1.7 2,-0.7 -6,-0.2 -31,-0.2 -0.875 71.2-145.1-110.1 138.8 14.2 55.3 32.4 36 1037 A E E -a 4 0A 45 -33,-3.2 -31,-2.4 -2,-0.4 2,-0.3 -0.903 24.2-155.1-100.4 112.2 16.8 53.0 33.7 37 1038 A F E -a 5 0A 12 -2,-0.7 39,-0.7 -33,-0.2 2,-0.4 -0.684 12.6-171.7 -91.0 144.2 20.2 54.8 33.3 38 1039 A V E -ac 6 76A 0 -33,-2.1 -31,-2.2 -2,-0.3 2,-0.5 -0.986 20.7-134.5-134.4 121.1 23.5 53.0 32.9 39 1040 A F E -ac 7 77A 0 37,-2.9 39,-2.3 -2,-0.4 2,-0.4 -0.654 25.9-164.9 -80.1 124.8 26.7 55.0 33.0 40 1041 A K E + c 0 78A 2 -33,-1.9 2,-0.2 -2,-0.5 39,-0.2 -0.905 22.6 143.4-117.8 139.8 29.1 54.0 30.2 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.777 39.7-124.3-171.7 126.6 32.8 54.7 29.7 42 1043 A S B -i 11 0B 0 -32,-2.3 -30,-2.2 -33,-0.3 3,-0.1 -0.580 4.7-159.3 -78.9 127.9 35.7 52.6 28.3 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.7 37,-0.3 14,-0.4 0.669 86.3 22.7 -76.6 -14.9 38.8 52.0 30.4 44 1045 A D - 0 0 18 36,-0.2 2,-1.1 12,-0.1 -1,-0.2 -0.958 58.4-151.6-156.0 132.4 40.5 51.2 27.1 45 1046 A K > + 0 0 19 10,-1.9 3,-0.7 -2,-0.3 11,-0.1 -0.839 29.5 172.7 -99.7 89.0 40.1 51.9 23.4 46 1047 A A T 3 + 0 0 3 -2,-1.1 324,-1.5 1,-0.2 325,-0.4 0.432 67.9 49.0 -81.1 -0.5 41.8 48.7 22.3 47 1048 A N T 3 + 0 0 42 322,-0.2 -1,-0.2 323,-0.1 322,-0.1 0.007 68.7 151.3-130.7 31.4 40.9 49.1 18.6 48 1049 A R < - 0 0 26 -3,-0.7 322,-0.1 1,-0.1 147,-0.1 -0.247 49.9-127.8 -59.1 152.7 41.9 52.6 17.6 49 1050 A S S S+ 0 0 14 145,-0.1 2,-0.3 1,-0.1 146,-0.2 0.919 91.8 50.8 -69.2 -41.9 42.9 53.0 14.0 50 1051 A S S > S- 0 0 6 144,-0.6 3,-1.4 1,-0.1 -2,-0.1 -0.776 71.8-141.4-104.0 142.4 46.2 54.7 14.8 51 1052 A I T 3 S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.724 105.0 60.2 -67.2 -20.8 48.9 53.6 17.3 52 1053 A H T 3 S+ 0 0 138 142,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.512 85.1 103.1 -86.6 -4.5 49.2 57.3 18.1 53 1054 A S S < S- 0 0 10 -3,-1.4 -5,-0.1 1,-0.1 2,-0.1 -0.390 84.3 -87.5 -80.5 158.0 45.6 57.7 19.3 54 1055 A F + 0 0 46 176,-0.5 -1,-0.1 1,-0.2 -4,-0.1 -0.369 43.9 170.9 -63.4 134.3 44.5 57.9 23.0 55 1056 A R - 0 0 53 1,-0.3 -10,-1.9 -2,-0.1 2,-0.3 0.737 43.4-101.9-112.7 -44.8 43.8 54.5 24.5 56 1057 A G - 0 0 25 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.927 30.8 -75.0 147.9-172.4 43.2 55.1 28.2 57 1058 A H S S- 0 0 99 -14,-0.4 4,-0.5 1,-0.3 -13,-0.1 0.079 80.7 -87.5-111.2 23.2 44.8 54.9 31.7 58 1059 A G > - 0 0 38 -15,-0.7 4,-2.2 3,-0.1 -1,-0.3 0.080 40.1 -80.9 91.9 156.6 44.6 51.2 32.2 59 1060 A L H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.933 123.4 53.9 -58.7 -52.3 42.1 48.8 33.6 60 1061 A E H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 112.6 42.1 -49.9 -55.5 42.9 49.4 37.3 61 1062 A Y H > S+ 0 0 79 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.918 115.0 53.4 -59.3 -44.9 42.5 53.2 37.0 62 1063 A G H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 109.0 45.0 -58.1 -50.2 39.3 52.7 34.9 63 1064 A V H X S+ 0 0 10 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.889 112.7 53.8 -62.6 -39.3 37.5 50.4 37.3 64 1065 A K H X S+ 0 0 120 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.924 110.6 45.6 -60.8 -45.4 38.4 52.6 40.2 65 1066 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.913 113.4 49.0 -65.5 -43.9 37.0 55.7 38.4 66 1067 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.896 108.6 54.0 -62.6 -40.1 33.8 53.8 37.4 67 1068 A R H X S+ 0 0 104 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.868 105.5 54.1 -62.2 -35.9 33.4 52.6 41.0 68 1069 A K H X S+ 0 0 63 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.890 107.2 50.4 -65.0 -39.8 33.6 56.2 42.2 69 1070 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 6,-0.5 0.935 113.4 44.9 -63.4 -46.0 30.8 57.1 39.8 70 1071 A K H X S+ 0 0 58 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.848 116.3 47.9 -65.7 -34.6 28.6 54.2 41.1 71 1072 A E H < S+ 0 0 132 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.901 117.0 39.7 -72.9 -43.9 29.6 55.1 44.7 72 1073 A E H < S+ 0 0 97 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.833 133.0 21.0 -77.8 -32.6 28.9 58.9 44.4 73 1074 A F H < S- 0 0 24 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.551 91.6-124.8-115.1 -10.1 25.7 58.7 42.3 74 1075 A G < + 0 0 60 -4,-1.4 2,-0.3 -5,-0.4 -4,-0.2 0.866 57.4 154.8 66.9 34.4 24.3 55.2 42.8 75 1076 A L - 0 0 8 -6,-0.5 -1,-0.2 1,-0.0 -37,-0.1 -0.764 47.3-115.4 -98.6 140.8 24.4 54.7 39.0 76 1077 A K E -c 38 0A 94 -39,-0.7 -37,-2.9 -2,-0.3 2,-0.4 -0.366 37.1-138.2 -67.5 155.6 24.6 51.3 37.3 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.4 -39,-0.2 19,-1.9 -0.917 23.9 177.1-126.0 145.3 27.8 50.8 35.3 78 1079 A T E +cd 40 96A 0 -39,-2.3 -37,-1.2 -2,-0.4 2,-0.3 -0.996 9.4 157.8-142.8 141.9 28.8 49.4 32.0 79 1080 A T E - d 0 97A 0 17,-1.1 19,-2.5 -2,-0.3 2,-0.3 -0.961 35.8-106.5-154.9 160.0 32.2 49.1 30.2 80 1081 A D E - d 0 98A 10 -2,-0.3 2,-0.3 17,-0.2 -37,-0.3 -0.688 20.3-148.5-100.1 148.6 33.6 46.9 27.5 81 1082 A I - 0 0 0 17,-1.9 3,-0.1 -2,-0.3 32,-0.0 -0.823 8.6-170.7-110.9 153.2 36.2 44.1 27.7 82 1083 A H S S+ 0 0 21 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.629 70.8 28.9-117.9 -21.5 38.7 43.2 25.1 83 1084 A E S > S- 0 0 25 26,-0.1 3,-1.8 263,-0.1 4,-0.4 -0.970 83.3-108.3-139.3 153.4 40.3 39.9 26.3 84 1085 A S G > S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.818 111.0 62.8 -49.7 -42.6 38.9 37.1 28.4 85 1086 A W G 3 S+ 0 0 149 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.719 94.4 64.2 -60.6 -20.5 41.0 37.8 31.5 86 1087 A Q G <> S+ 0 0 12 -3,-1.8 4,-2.2 1,-0.2 5,-0.3 0.704 82.0 78.4 -78.3 -17.9 39.3 41.2 31.9 87 1088 A A H <> S+ 0 0 3 -3,-1.5 4,-2.3 -4,-0.4 -1,-0.2 0.893 92.0 50.2 -57.7 -44.1 35.8 39.9 32.5 88 1089 A E H > S+ 0 0 161 -4,-0.4 4,-0.7 -3,-0.4 -1,-0.2 0.963 114.8 39.4 -62.8 -56.1 36.5 39.0 36.2 89 1090 A P H >4 S+ 0 0 34 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.890 118.2 49.5 -62.6 -37.6 38.0 42.3 37.4 90 1091 A V H >X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-2.2 0.896 100.3 64.4 -67.4 -39.7 35.5 44.3 35.3 91 1092 A A H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.715 87.4 73.3 -57.3 -21.3 32.5 42.3 36.7 92 1093 A E T << S+ 0 0 136 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.772 118.6 12.4 -65.8 -24.5 33.3 43.7 40.1 93 1094 A V T <4 S+ 0 0 2 -3,-2.2 2,-0.4 -4,-0.3 -16,-0.3 0.668 107.8 90.1-122.1 -30.3 32.0 47.1 39.1 94 1095 A A < - 0 0 0 -4,-2.9 -16,-0.2 1,-0.2 3,-0.2 -0.582 44.8-172.0 -80.3 124.2 30.1 46.6 35.8 95 1096 A D S S+ 0 0 35 -18,-2.4 24,-1.8 -2,-0.4 2,-0.4 0.781 87.5 32.3 -78.2 -30.0 26.4 45.8 36.0 96 1097 A I E S-de 78 119A 4 -19,-1.9 -17,-1.1 22,-0.2 2,-0.6 -0.991 77.8-149.4-130.8 122.9 26.5 45.2 32.2 97 1098 A I E -de 79 120A 0 22,-3.1 24,-2.6 -2,-0.4 2,-0.4 -0.825 18.4-146.4 -93.9 125.6 29.6 43.9 30.5 98 1099 A Q E -de 80 121A 4 -19,-2.5 -17,-1.9 -2,-0.6 24,-0.2 -0.766 3.8-151.1 -97.6 136.0 29.9 45.2 26.9 99 1100 A I E - e 0 122A 0 22,-2.9 24,-2.7 -2,-0.4 5,-0.1 -0.923 25.9-119.7-105.8 119.1 31.3 43.2 24.0 100 1101 A P > - 0 0 10 0, 0.0 3,-0.8 0, 0.0 4,-0.2 -0.147 20.4-117.0 -55.6 149.1 33.0 45.3 21.3 101 1102 A A G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 24,-0.2 0.881 114.2 51.9 -56.2 -44.8 31.6 45.0 17.7 102 1103 A F G 3 S+ 0 0 4 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.778 113.4 47.1 -65.7 -22.7 34.7 43.6 16.2 103 1104 A L G X S+ 0 0 4 -3,-0.8 3,-1.8 1,-0.2 -1,-0.2 0.253 72.7 112.5-103.2 12.8 34.8 40.9 18.9 104 1105 A C T < S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.586 83.0 46.2 -63.6 -9.3 31.1 39.8 18.8 105 1106 A R T 3 S+ 0 0 34 -3,-0.3 2,-1.3 -4,-0.1 -1,-0.3 0.412 78.2 112.8-110.9 -1.1 32.2 36.4 17.4 106 1107 A Q X> - 0 0 16 -3,-1.8 4,-2.0 1,-0.2 3,-0.8 -0.612 52.5-161.7 -78.0 96.7 35.1 35.7 19.9 107 1108 A T H 3> S+ 0 0 2 202,-1.8 4,-2.5 -2,-1.3 5,-0.2 0.822 83.2 50.7 -46.3 -48.9 33.6 32.7 21.8 108 1109 A D H 3> S+ 0 0 60 201,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.835 109.0 51.5 -64.4 -34.7 35.9 32.9 24.8 109 1110 A L H <> S+ 0 0 3 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.936 112.1 46.8 -67.4 -45.6 35.3 36.6 25.4 110 1111 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 114.7 47.0 -60.2 -45.7 31.5 36.0 25.3 111 1112 A L H X S+ 0 0 32 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.895 108.4 55.4 -64.2 -41.3 31.9 33.0 27.6 112 1113 A A H < S+ 0 0 13 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.907 112.1 43.7 -58.9 -41.2 34.1 35.0 30.0 113 1114 A A H ><>S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 5,-0.5 0.935 110.3 55.2 -69.7 -45.9 31.4 37.7 30.3 114 1115 A A H ><5S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.858 102.3 55.3 -56.8 -41.2 28.5 35.2 30.7 115 1116 A K T 3<5S+ 0 0 159 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.546 89.9 74.9 -74.2 -6.8 30.0 33.3 33.7 116 1117 A T T < 5S- 0 0 42 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.684 102.8-125.1 -76.5 -17.5 30.4 36.5 35.8 117 1118 A G T < 5S+ 0 0 50 -3,-1.2 -2,-0.1 -4,-0.4 -3,-0.1 0.355 70.9 124.5 88.9 -6.3 26.7 36.5 36.3 118 1119 A R S - 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0 0 56 1,-0.3 -10,-1.8 -2,-0.2 2,-0.3 0.738 45.9-105.3-111.5 -43.2 37.2 24.6 17.7 319 2057 B G - 0 0 27 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.935 31.0 -70.4 146.5-169.7 40.2 22.4 18.1 320 2058 B H S S- 0 0 102 1,-0.4 4,-0.4 -14,-0.4 -13,-0.1 0.193 82.1 -89.8-108.7 14.2 42.3 20.4 20.6 321 2059 B G > - 0 0 35 -15,-0.8 4,-1.6 1,-0.1 -1,-0.4 -0.133 40.1 -77.3 100.3 162.8 44.0 23.3 22.3 322 2060 B L H > S+ 0 0 26 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.901 123.8 50.3 -66.8 -44.5 47.1 25.4 21.9 323 2061 B E H > S+ 0 0 177 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 113.4 43.7 -62.0 -51.4 49.6 22.9 23.3 324 2062 B Y H > S+ 0 0 83 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.868 116.9 50.5 -60.9 -36.0 48.4 20.0 21.2 325 2063 B G H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.958 110.6 44.9 -66.8 -52.9 48.3 22.3 18.2 326 2064 B V H X S+ 0 0 11 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.829 113.3 53.7 -60.6 -32.8 51.8 23.7 18.7 327 2065 B K H X S+ 0 0 138 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.938 109.1 46.7 -67.3 -47.2 53.0 20.2 19.2 328 2066 B A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.881 111.3 52.1 -62.3 -39.6 51.5 18.9 16.0 329 2067 B L H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.787 106.1 55.0 -68.1 -28.1 52.9 21.9 14.1 330 2068 B R H X S+ 0 0 97 -4,-1.3 4,-2.9 -3,-0.2 5,-0.3 0.918 103.7 55.0 -68.9 -42.9 56.3 21.1 15.5 331 2069 B K H X S+ 0 0 81 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.861 108.4 49.1 -57.6 -38.6 56.0 17.6 14.1 332 2070 B V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 6,-0.6 0.941 113.6 44.2 -67.8 -48.5 55.4 19.0 10.6 333 2071 B K H X S+ 0 0 55 -4,-1.9 4,-1.7 3,-0.2 -2,-0.2 0.894 119.1 43.3 -63.3 -41.3 58.4 21.4 10.7 334 2072 B E H < S+ 0 0 136 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.924 119.0 42.5 -71.1 -44.8 60.7 18.8 12.1 335 2073 B E H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.789 133.2 18.6 -74.2 -29.5 59.5 16.0 9.9 336 2074 B F H < S- 0 0 24 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.509 91.9-125.7-120.5 -8.4 59.3 18.0 6.6 337 2075 B G < + 0 0 59 -4,-1.7 2,-0.4 -5,-0.4 -4,-0.2 0.839 57.7 150.8 65.4 31.9 61.4 21.1 7.2 338 2076 B L - 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0 0 68 -7,-1.5 3,-1.6 1,-0.1 4,-0.3 -0.926 360.0-168.1-123.9 109.5 31.3 28.5 -3.6 457 2201 B R G >> S+ 0 0 87 -2,-0.5 3,-1.7 34,-0.4 4,-0.5 0.805 83.9 72.9 -60.1 -32.8 34.2 26.3 -4.5 458 2202 B E G 34 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.658 96.5 51.3 -59.1 -16.6 33.6 26.9 -8.2 459 2203 B F G <> S+ 0 0 84 -3,-1.6 4,-2.0 2,-0.1 -1,-0.3 0.561 86.1 85.4 -99.3 -7.7 35.0 30.4 -7.7 460 2204 B I H <> S+ 0 0 2 -3,-1.7 4,-1.7 -4,-0.3 5,-0.2 0.957 94.5 39.1 -56.9 -57.6 38.2 29.6 -6.0 461 2205 B F H X S+ 0 0 68 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.934 113.9 53.6 -61.9 -50.2 40.4 28.9 -9.1 462 2206 B P H > S+ 0 0 47 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.909 113.3 43.0 -52.6 -45.5 38.9 31.8 -11.2 463 2207 B L H X S+ 0 0 48 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.797 109.6 55.3 -74.1 -29.3 39.6 34.4 -8.5 464 2208 B I H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.865 106.4 53.3 -70.7 -31.7 43.1 33.1 -7.7 465 2209 B R H X S+ 0 0 97 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.930 108.6 49.7 -65.5 -42.0 43.9 33.5 -11.4 466 2210 B A H X S+ 0 0 32 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.918 105.9 57.5 -60.9 -44.0 42.7 37.1 -11.2 467 2211 B A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.913 110.9 40.5 -55.3 -48.3 44.9 37.7 -8.1 468 2212 B V H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.844 112.4 55.6 -72.5 -31.3 48.1 36.7 -9.9 469 2213 B A H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.898 113.8 41.7 -65.5 -38.8 47.1 38.5 -13.1 470 2214 B V H < S- 0 0 52 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.917 124.1-105.6 -71.9 -45.6 46.7 41.6 -11.0 471 2215 B G < + 0 0 17 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.284 48.7 163.1 119.0 115.9 49.8 41.0 -9.0 472 2216 B C - 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0 0 12 -3,-1.6 4,-0.2 -4,-0.6 3,-0.1 -0.166 59.4-140.9 -53.8 147.5 36.5 18.7 7.2 487 2231 B L S S+ 0 0 81 1,-0.1 -170,-0.5 -213,-0.1 2,-0.3 0.480 86.6 34.5 -90.1 -3.7 35.4 19.9 10.6 488 2232 B S S S- 0 0 3 -5,-0.1 -215,-0.2 -214,-0.1 -214,-0.2 -0.989 125.4 -1.0-149.6 147.5 35.8 23.5 9.5 489 2233 B D S >> S+ 0 0 42 -2,-0.3 4,-1.2 1,-0.1 3,-0.6 0.853 70.5 159.8 35.4 55.3 35.3 25.4 6.2 490 2234 B A T 34 + 0 0 30 1,-0.2 -4,-0.1 -4,-0.2 -1,-0.1 0.819 66.2 58.3 -72.6 -31.7 34.2 22.2 4.5 491 2235 B S T 34 S+ 0 0 81 1,-0.2 -34,-0.4 -7,-0.1 -1,-0.2 0.623 117.8 30.2 -74.3 -13.4 32.5 24.0 1.7 492 2236 B T T <4 S+ 0 0 3 -3,-0.6 2,-0.2 -9,-0.1 -2,-0.2 0.513 84.1 113.8-124.8 -7.8 35.6 25.9 0.7 493 2237 B Q < - 0 0 0 -4,-1.2 -14,-0.2 -10,-0.1 -7,-0.1 -0.493 66.8-120.8 -71.4 132.7 38.6 23.8 1.4 494 2238 B L E -w 479 0I 3 -16,-2.9 -14,-2.4 -2,-0.2 2,-0.2 -0.495 26.4-108.7 -74.6 136.3 40.5 22.7 -1.7 495 2239 B P E >> -w 480 0I 19 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.472 26.3-127.8 -64.7 131.4 40.9 19.0 -2.3 496 2240 B L G >4 S+ 0 0 18 -16,-1.5 3,-1.6 1,-0.3 4,-0.5 0.847 105.7 62.1 -47.2 -42.6 44.6 18.1 -1.7 497 2241 B S G 34 S+ 0 0 106 1,-0.3 4,-0.4 -16,-0.2 -1,-0.3 0.675 101.5 52.3 -60.6 -20.2 44.8 16.4 -5.1 498 2242 B Q G <> S+ 0 0 97 -3,-2.2 4,-1.8 1,-0.1 -1,-0.3 0.521 85.2 87.4 -94.9 -6.9 44.0 19.7 -6.9 499 2243 B L H S+ 0 0 55 -4,-0.5 4,-2.7 1,-0.2 5,-0.3 0.938 109.4 51.6 -56.0 -49.6 49.6 21.0 -7.6 501 2245 B G H > S+ 0 0 48 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.890 111.7 46.0 -55.3 -43.8 47.5 21.8 -10.7 502 2246 B I H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.885 111.7 51.3 -69.2 -38.3 46.5 25.2 -9.3 503 2247 B I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.952 111.1 47.3 -64.4 -46.9 50.0 26.1 -8.2 504 2248 B E H X S+ 0 0 72 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.909 112.3 52.6 -59.6 -40.7 51.4 25.3 -11.6 505 2249 B A H X S+ 0 0 17 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.930 110.0 45.2 -62.0 -48.1 48.6 27.4 -13.2 506 2250 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.813 111.0 54.6 -69.6 -25.5 49.2 30.5 -11.1 507 2251 B L H X S+ 0 0 29 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.930 109.7 46.5 -71.2 -43.0 53.0 30.2 -11.7 508 2252 B E H X S+ 0 0 106 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.916 115.4 45.9 -63.8 -43.1 52.5 30.2 -15.5 509 2253 B I H X S+ 0 0 51 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.925 113.1 49.8 -66.2 -43.6 50.0 33.1 -15.3 510 2254 B R H X S+ 0 0 74 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.914 105.6 58.0 -59.4 -44.2 52.3 35.0 -13.0 511 2255 B E H < S+ 0 0 133 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.913 116.1 34.0 -54.3 -46.2 55.3 34.4 -15.3 512 2256 B V H >< S+ 0 0 95 -4,-1.6 3,-0.7 1,-0.1 4,-0.2 0.919 122.5 44.9 -76.6 -45.0 53.5 36.1 -18.2 513 2257 B A H >< S+ 0 0 17 -4,-3.1 3,-2.8 1,-0.2 4,-0.4 0.818 93.8 76.3 -70.2 -33.8 51.5 38.7 -16.2 514 2258 B S G >< S+ 0 0 53 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.772 81.3 72.1 -50.3 -28.6 54.4 39.9 -14.0 515 2259 B K G < S+ 0 0 162 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.840 104.2 40.9 -56.6 -30.8 55.8 41.8 -17.0 516 2260 B Y G < S+ 0 0 154 -3,-2.8 -1,-0.3 -4,-0.2 -2,-0.2 0.384 78.7 127.9-101.8 3.0 52.9 44.2 -16.5 517 2261 B Y < - 0 0 61 -3,-1.3 -46,-0.1 -4,-0.4 2,-0.1 -0.416 63.0-118.7 -61.5 130.5 52.8 44.6 -12.7 518 2262 B E - 0 0 154 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.385 29.3-100.5 -71.2 149.3 52.8 48.3 -11.9 519 2263 B T 0 0 136 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.596 360.0 360.0 -76.1 123.1 55.7 49.7 -9.8 520 2264 B I 0 0 140 -2,-0.4 -1,-0.1 -84,-0.1 -2,-0.1 -0.200 360.0 360.0 52.0 360.0 54.8 50.2 -6.1