==== 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 OXIDOREDUCTASE,HYDROLASE 09-DEC-09 3L07 . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN FOLD; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS; . AUTHOR J.OSIPIUK,N.MALTSEVA,R.MULLIGAN,J.HASSEMAN,W.F.ANDERSON,A.JO . 567 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 2 2 0 2 1 1 2 0 4 0 0 0 0 2 1 0 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 6 2 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 0 0 0 0 0 0 1 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 0 A A 0 0 147 0, 0.0 249,-0.0 0, 0.0 252,-0.0 0.000 360.0 360.0 360.0 22.2 49.3 -30.1 -20.3 2 1 A M - 0 0 58 247,-0.1 2,-0.5 1,-0.1 252,-0.2 -0.152 360.0-144.4 -64.5 134.0 47.6 -27.2 -22.1 3 2 A I E -a 254 0A 83 250,-2.3 252,-2.2 2,-0.0 2,-0.7 -0.850 5.3-143.1 -99.5 128.8 45.6 -27.8 -25.4 4 3 A L E -a 255 0A 73 -2,-0.5 2,-1.2 250,-0.2 252,-0.2 -0.820 14.9-141.4 -83.1 115.7 45.6 -25.3 -28.2 5 4 A I - 0 0 1 250,-2.7 2,-1.0 -2,-0.7 144,-0.1 -0.712 25.6-158.7 -80.1 96.0 42.1 -25.4 -29.7 6 5 A D > - 0 0 48 -2,-1.2 4,-1.9 1,-0.2 255,-0.2 -0.708 21.4-179.6 -93.2 103.8 43.4 -25.0 -33.3 7 6 A G H > S+ 0 0 0 253,-1.3 4,-3.0 -2,-1.0 254,-0.2 0.827 79.2 58.3 -71.0 -33.6 40.7 -23.6 -35.7 8 7 A K H > S+ 0 0 157 252,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.957 112.4 38.6 -63.3 -49.5 42.9 -23.6 -38.7 9 8 A S H > S+ 0 0 56 251,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.899 118.1 50.0 -68.0 -39.3 43.7 -27.4 -38.5 10 9 A L H X S+ 0 0 12 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.915 108.8 52.4 -65.8 -42.4 40.1 -28.2 -37.4 11 10 A S H X S+ 0 0 6 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.902 108.2 51.6 -58.2 -41.1 38.6 -26.1 -40.3 12 11 A K H X S+ 0 0 133 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.933 112.7 44.8 -63.2 -44.2 40.8 -28.0 -42.8 13 12 A D H X S+ 0 0 63 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 113.0 50.8 -64.9 -48.0 39.6 -31.4 -41.5 14 13 A L H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.864 108.8 51.1 -62.8 -34.6 36.0 -30.3 -41.4 15 14 A K H X S+ 0 0 46 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.895 108.6 51.6 -71.1 -36.7 36.1 -29.1 -44.9 16 15 A E H X S+ 0 0 105 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.927 111.3 47.8 -60.6 -41.7 37.5 -32.4 -46.1 17 16 A R H X S+ 0 0 88 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.931 113.6 48.0 -65.2 -45.7 34.7 -34.3 -44.3 18 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.901 105.1 58.1 -60.5 -44.2 32.1 -32.0 -45.8 19 18 A A H X S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.897 108.9 46.4 -57.0 -39.0 33.5 -32.3 -49.3 20 19 A T H X S+ 0 0 68 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.917 112.0 49.9 -69.1 -43.5 33.0 -36.1 -49.1 21 20 A Q H X S+ 0 0 81 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.888 110.9 50.2 -59.5 -41.7 29.4 -35.7 -47.7 22 21 A V H X S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.894 110.8 48.8 -66.7 -40.8 28.6 -33.2 -50.5 23 22 A Q H X S+ 0 0 106 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.948 110.9 50.2 -64.5 -43.7 29.9 -35.6 -53.1 24 23 A E H X S+ 0 0 109 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.940 111.3 49.4 -60.4 -43.3 27.9 -38.5 -51.6 25 24 A Y H X S+ 0 0 40 -4,-2.6 4,-2.6 1,-0.2 6,-0.5 0.901 109.7 50.8 -62.7 -41.5 24.7 -36.4 -51.6 26 25 A K H X S+ 0 0 100 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.850 107.1 55.2 -63.9 -36.8 25.3 -35.4 -55.2 27 26 A H H < S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.2 38.0 -62.4 -36.4 25.7 -39.1 -56.2 28 27 A H H < S+ 0 0 161 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.869 135.3 17.4 -87.8 -32.8 22.4 -40.0 -54.8 29 28 A T H < S- 0 0 57 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.473 86.0-127.5-119.3 -8.5 20.4 -37.0 -55.7 30 29 A A < + 0 0 89 -4,-2.4 2,-0.5 -5,-0.3 -4,-0.2 0.576 68.4 132.3 61.1 12.6 22.2 -35.1 -58.5 31 30 A I - 0 0 33 -6,-0.5 -1,-0.2 -9,-0.1 -2,-0.2 -0.818 38.8-170.0 -98.0 129.7 21.9 -32.0 -56.2 32 31 A T - 0 0 32 -2,-0.5 30,-0.1 -3,-0.1 29,-0.1 -0.976 33.3-111.0-110.2 124.7 24.9 -29.8 -55.6 33 32 A P - 0 0 0 0, 0.0 30,-2.8 0, 0.0 2,-0.4 -0.267 31.7-154.9 -57.3 144.8 24.3 -27.1 -52.9 34 33 A K E -l 63 0B 47 240,-0.2 59,-2.0 28,-0.2 58,-1.8 -0.977 8.6-167.2-127.4 122.2 24.1 -23.5 -54.1 35 34 A L E -lm 64 93B 3 28,-2.8 30,-2.1 -2,-0.4 2,-0.5 -0.914 4.6-161.1-100.7 126.1 24.9 -20.3 -52.0 36 35 A V E -lm 65 94B 0 57,-2.9 59,-2.7 -2,-0.5 2,-0.5 -0.948 9.0-167.4-105.1 122.0 23.9 -16.9 -53.3 37 36 A A E -lm 66 95B 5 28,-2.9 30,-2.7 -2,-0.5 2,-0.4 -0.957 4.5-157.6-109.7 127.0 25.8 -13.9 -51.6 38 37 A I E -lm 67 96B 0 57,-2.7 59,-3.2 -2,-0.5 2,-0.4 -0.883 7.8-173.7-102.9 129.7 24.7 -10.3 -52.1 39 38 A I E -l 68 0B 8 28,-2.0 30,-3.0 -2,-0.4 2,-0.6 -0.995 9.6-156.6-123.4 126.6 27.2 -7.4 -51.5 40 39 A V E -l 69 0B 11 -2,-0.4 3,-0.4 57,-0.4 31,-0.1 -0.935 61.5 -17.2-104.5 117.1 26.0 -3.8 -51.6 41 40 A G S S- 0 0 7 28,-3.3 28,-0.1 -2,-0.6 -2,-0.0 -0.433 88.6 -69.5 88.6-157.4 28.7 -1.3 -52.4 42 41 A N + 0 0 115 -2,-0.1 -1,-0.2 26,-0.1 5,-0.1 -0.011 54.6 157.2-134.3 24.4 32.5 -1.6 -52.3 43 42 A D > - 0 0 69 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.362 38.9-142.4 -54.9 121.3 33.7 -1.8 -48.7 44 43 A P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.875 98.7 51.1 -62.8 -31.7 37.1 -3.6 -49.2 45 44 A A H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 110.3 50.3 -68.3 -42.8 36.8 -5.7 -46.1 46 45 A S H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 109.7 51.2 -59.1 -40.4 33.3 -6.8 -47.2 47 46 A K H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 109.1 50.0 -66.3 -37.4 34.8 -7.7 -50.6 48 47 A T H X S+ 0 0 91 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 110.7 50.1 -66.5 -42.5 37.5 -9.8 -49.0 49 48 A Y H X S+ 0 0 121 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.892 110.9 48.1 -62.3 -45.3 35.0 -11.7 -46.8 50 49 A V H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 110.3 52.3 -65.5 -37.5 32.8 -12.5 -49.8 51 50 A A H X S+ 0 0 47 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.903 108.5 51.1 -65.0 -40.1 35.9 -13.6 -51.7 52 51 A S H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.889 107.8 52.6 -62.8 -36.0 36.8 -15.9 -48.8 53 52 A K H X S+ 0 0 28 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.905 109.9 48.3 -69.8 -35.7 33.3 -17.4 -48.8 54 53 A E H X S+ 0 0 80 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.896 111.5 50.0 -65.8 -42.3 33.5 -18.2 -52.6 55 54 A K H X S+ 0 0 138 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.945 110.4 49.7 -61.3 -46.0 36.9 -19.8 -52.2 56 55 A A H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.876 109.0 52.1 -62.4 -41.6 35.6 -21.9 -49.3 57 56 A C H >X>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-0.9 0.942 109.4 50.2 -56.4 -47.9 32.5 -23.1 -51.3 58 57 A A H ><5S+ 0 0 80 -4,-2.2 3,-0.6 1,-0.3 -2,-0.2 0.853 104.3 59.6 -62.3 -34.2 34.8 -24.1 -54.2 59 58 A Q H 3<5S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.791 114.0 35.0 -64.2 -31.6 37.0 -26.1 -51.8 60 59 A V H <<5S- 0 0 4 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.314 117.0-103.7-107.4 5.9 34.1 -28.3 -50.8 61 60 A G T <<5S+ 0 0 39 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.717 72.3 139.9 82.0 22.0 32.2 -28.6 -54.1 62 61 A I < - 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.816 51.6-123.1 -95.2 137.8 29.4 -26.1 -53.3 63 62 A D E -l 34 0B 86 -30,-2.8 -28,-2.8 -2,-0.4 2,-0.3 -0.573 30.9-172.3 -78.0 141.7 28.2 -23.8 -56.0 64 63 A S E -l 35 0B 45 -2,-0.2 2,-0.4 -30,-0.2 -28,-0.2 -0.975 13.6-172.1-134.2 150.2 28.3 -20.1 -55.2 65 64 A Q E -l 36 0B 83 -30,-2.1 -28,-2.9 -2,-0.3 2,-0.5 -0.986 10.6-154.5-139.7 132.1 27.1 -16.9 -57.0 66 65 A V E -l 37 0B 43 -2,-0.4 2,-0.6 -30,-0.2 -28,-0.2 -0.953 3.0-163.2-105.6 126.4 27.9 -13.3 -55.9 67 66 A I E -l 38 0B 35 -30,-2.7 -28,-2.0 -2,-0.5 2,-0.5 -0.956 9.3-160.2-110.1 115.3 25.5 -10.5 -56.8 68 67 A T E -l 39 0B 104 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.862 9.8-175.6 -98.5 121.6 27.2 -7.1 -56.5 69 68 A L E -l 40 0B 41 -30,-3.0 -28,-3.3 -2,-0.5 -2,-0.0 -0.870 30.6-101.1-112.9 154.1 24.8 -4.1 -56.2 70 69 A P > - 0 0 67 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.274 34.4-105.4 -71.4 160.2 25.9 -0.4 -56.0 71 70 A E T 3 S+ 0 0 117 1,-0.3 -31,-0.1 -31,-0.1 -2,-0.0 0.772 115.1 55.6 -57.6 -34.4 26.1 1.5 -52.8 72 71 A H T 3 S+ 0 0 140 2,-0.0 -1,-0.3 31,-0.0 -32,-0.0 0.417 73.9 137.1 -84.7 1.9 22.9 3.7 -53.3 73 72 A T < - 0 0 7 -3,-1.8 2,-0.2 1,-0.1 -4,-0.0 -0.189 55.1-122.1 -42.6 133.8 20.7 0.6 -53.9 74 73 A T > - 0 0 54 1,-0.1 4,-2.4 30,-0.0 5,-0.2 -0.514 12.9-115.9 -85.1 154.7 17.4 1.1 -52.0 75 74 A E H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 118.8 53.3 -51.0 -42.4 16.1 -1.1 -49.3 76 75 A S H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 107.4 50.6 -63.6 -36.9 13.1 -1.8 -51.6 77 76 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 111.8 47.5 -68.1 -38.8 15.4 -2.8 -54.4 78 77 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 110.2 51.6 -70.5 -41.1 17.3 -5.2 -52.2 79 78 A L H X S+ 0 0 56 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.841 106.9 55.6 -62.9 -33.5 14.1 -6.7 -50.8 80 79 A E H X S+ 0 0 122 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.920 109.1 46.1 -59.9 -49.0 12.9 -7.3 -54.4 81 80 A L H X S+ 0 0 25 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.901 110.6 52.8 -64.1 -39.0 16.0 -9.3 -55.2 82 81 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 32,-0.2 0.935 107.2 53.2 -65.3 -41.0 15.7 -11.3 -52.0 83 82 A D H X S+ 0 0 92 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.897 107.8 51.0 -58.4 -40.7 12.1 -12.2 -52.9 84 83 A Q H < S+ 0 0 123 -4,-1.9 3,-0.4 1,-0.2 4,-0.4 0.954 111.9 46.0 -61.7 -48.8 13.3 -13.5 -56.2 85 84 A L H >< S+ 0 0 13 -4,-2.4 3,-1.3 1,-0.2 6,-0.2 0.894 106.6 58.9 -65.9 -37.1 15.9 -15.7 -54.7 86 85 A N H 3< S+ 0 0 23 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.3 41.2 -51.7 -40.7 13.5 -17.0 -52.0 87 86 A N T 3< S+ 0 0 123 -4,-1.4 2,-0.7 -3,-0.4 -1,-0.3 0.285 92.0 98.2 -96.6 4.1 11.4 -18.3 -54.8 88 87 A D X - 0 0 67 -3,-1.3 3,-1.8 -4,-0.4 -4,-0.0 -0.844 57.7-160.7 -92.7 114.8 14.2 -19.6 -57.0 89 88 A S T 3 S+ 0 0 101 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.615 87.1 66.4 -78.1 -7.0 14.6 -23.3 -56.4 90 89 A S T 3 S+ 0 0 57 1,-0.0 2,-0.6 -57,-0.0 -1,-0.3 0.605 91.7 76.7 -76.3 -11.5 18.1 -23.4 -57.8 91 90 A V < + 0 0 0 -3,-1.8 -56,-0.1 -6,-0.2 3,-0.1 -0.898 51.2 168.6-106.1 116.2 19.1 -21.3 -54.8 92 91 A H + 0 0 14 -58,-1.8 2,-0.4 -2,-0.6 -57,-0.2 0.807 67.3 30.8 -96.0 -28.2 19.4 -23.2 -51.4 93 92 A A E -m 35 0B 0 -59,-2.0 -57,-2.9 25,-0.1 2,-0.4 -0.970 61.7-166.0-140.1 134.1 21.1 -20.5 -49.3 94 93 A I E +mn 36 118B 0 23,-3.1 25,-0.7 -2,-0.4 26,-0.4 -0.992 10.4 175.5-123.5 130.1 21.0 -16.7 -49.3 95 94 A L E -m 37 0B 1 -59,-2.7 -57,-2.7 -2,-0.4 2,-0.5 -0.991 18.9-152.9-132.1 146.3 23.4 -14.4 -47.5 96 95 A V E -m 38 0B 11 -2,-0.4 2,-0.2 -59,-0.2 -57,-0.2 -0.972 27.5-125.7-113.0 123.6 23.7 -10.6 -47.4 97 96 A Q - 0 0 15 -59,-3.2 -57,-0.4 -2,-0.5 -51,-0.1 -0.535 40.7-105.1 -72.4 131.3 27.3 -9.4 -46.6 98 97 A L S S+ 0 0 56 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.722 88.4 51.3-105.2 159.0 27.4 -7.0 -43.7 99 98 A P S S- 0 0 95 0, 0.0 -59,-0.1 0, 0.0 -56,-0.1 0.517 71.3-160.8 -71.7 143.2 27.7 -4.1 -42.9 100 99 A L - 0 0 24 1,-0.1 6,-0.1 4,-0.1 -2,-0.1 -0.526 38.4 -78.8 -74.6 156.7 25.0 -2.8 -45.2 101 100 A P > - 0 0 18 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.209 46.9-109.1 -53.2 151.2 25.1 1.0 -46.1 102 101 A A T 3 S+ 0 0 112 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.733 114.3 62.8 -60.8 -29.8 23.7 3.2 -43.4 103 102 A H T 3 S+ 0 0 107 2,-0.1 2,-0.4 -29,-0.0 -1,-0.3 0.670 91.3 78.1 -72.6 -12.9 20.5 4.0 -45.3 104 103 A I S < S- 0 0 11 -3,-1.9 2,-0.9 -30,-0.1 -4,-0.1 -0.840 80.7-129.5-100.8 133.6 19.4 0.4 -45.4 105 104 A N >> - 0 0 71 -2,-0.4 4,-1.6 1,-0.2 3,-0.5 -0.704 15.5-161.2 -82.8 106.1 17.7 -1.3 -42.4 106 105 A K H 3> S+ 0 0 94 -2,-0.9 4,-3.2 1,-0.2 5,-0.2 0.847 87.0 56.1 -53.9 -42.9 19.5 -4.6 -41.8 107 106 A N H 3> S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 106.9 48.4 -64.9 -37.2 16.8 -6.1 -39.7 108 107 A N H <> S+ 0 0 65 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.867 112.8 49.4 -68.4 -35.4 14.2 -5.6 -42.4 109 108 A V H >X S+ 0 0 2 -4,-1.6 4,-0.7 2,-0.2 3,-0.6 0.970 111.8 48.1 -66.0 -50.5 16.6 -7.2 -44.9 110 109 A I H >< S+ 0 0 25 -4,-3.2 3,-1.8 1,-0.3 -2,-0.2 0.949 109.8 52.9 -57.7 -47.8 17.2 -10.2 -42.6 111 110 A Y H 3< S+ 0 0 78 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.800 101.3 61.2 -58.6 -31.6 13.5 -10.7 -42.0 112 111 A S H << S+ 0 0 32 -4,-1.2 -1,-0.3 -3,-0.6 2,-0.3 0.693 84.0 93.7 -74.3 -16.1 12.8 -10.8 -45.7 113 112 A I S << S- 0 0 7 -3,-1.8 5,-0.1 -4,-0.7 -30,-0.1 -0.560 90.5-107.3 -71.9 135.7 15.0 -13.9 -46.3 114 113 A K >> - 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0 0 49 -2,-0.7 3,-1.6 26,-0.2 4,-0.3 -0.423 35.5 -95.6-101.6 173.3 14.2 -25.2 0.5 503 217 B A G > S+ 0 0 29 1,-0.3 3,-1.5 2,-0.2 -1,-0.0 0.830 118.7 60.1 -62.2 -37.4 15.4 -22.3 2.8 504 218 B D G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 -18,-0.1 0.633 100.6 57.6 -68.1 -15.1 19.1 -23.2 2.7 505 219 B M G < S+ 0 0 22 -3,-1.6 2,-0.4 -20,-0.1 -1,-0.3 0.546 94.7 79.4 -90.7 -7.6 19.0 -22.7 -1.1 506 220 B V S < S- 0 0 2 -3,-1.5 2,-0.2 -4,-0.3 -20,-0.2 -0.824 77.7-123.3-110.6 138.1 17.8 -19.1 -1.0 507 221 B K > - 0 0 70 -22,-0.6 3,-1.9 -19,-0.4 2,-0.2 -0.525 34.1-104.8 -72.3 136.8 19.9 -15.9 -0.3 508 222 B E T 3 S+ 0 0 138 1,-0.3 29,-0.2 -2,-0.2 -1,-0.1 -0.459 111.8 23.1 -59.4 129.1 18.8 -13.6 2.6 509 223 B G T 3 S+ 0 0 38 27,-2.7 -1,-0.3 1,-0.2 28,-0.2 0.531 95.5 146.0 88.1 8.9 17.1 -10.6 1.0 510 224 B A < - 0 0 1 -3,-1.9 28,-1.7 26,-0.3 29,-1.5 -0.320 49.6-130.1 -79.4 153.9 16.3 -12.5 -2.3 511 225 B V E -jk 490 539A 10 -22,-2.6 -20,-3.1 27,-0.2 2,-0.5 -0.954 28.0-162.4-100.5 124.3 13.3 -12.1 -4.5 512 226 B V E -jk 491 540A 0 27,-2.5 29,-1.6 -2,-0.5 2,-0.5 -0.920 11.8-170.8-119.8 121.7 11.7 -15.4 -5.1 513 227 B I E -j 492 0A 0 -22,-3.3 -20,-2.9 -2,-0.5 2,-0.6 -0.956 8.2-161.1-114.5 122.7 9.3 -16.1 -7.9 514 228 B D E +j 493 0A 4 -2,-0.5 33,-0.6 -22,-0.2 -20,-0.2 -0.882 15.2 175.0-112.0 109.5 7.6 -19.6 -7.8 515 229 B V + 0 0 21 -22,-3.1 -21,-0.2 -2,-0.6 -1,-0.1 0.514 41.0 119.9 -93.0 -9.2 6.1 -20.6 -11.1 516 230 B G - 0 0 3 -23,-0.4 2,-0.2 -19,-0.1 32,-0.2 -0.289 36.2-178.9 -59.9 137.8 5.1 -24.1 -9.9 517 231 B I + 0 0 81 9,-0.1 2,-0.5 26,-0.1 9,-0.2 -0.734 18.9 173.1-129.5 81.3 1.4 -25.2 -10.0 518 232 B N E -U 525 0G 21 7,-2.9 7,-2.5 -2,-0.2 2,-0.8 -0.817 28.5-140.0 -96.9 130.6 1.6 -28.8 -8.5 519 233 B H E +U 524 0G 133 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.809 28.4 173.5 -87.7 108.5 -1.6 -30.7 -7.7 520 234 B V E > -U 523 0G 56 3,-2.4 3,-1.4 -2,-0.8 -2,-0.0 -0.858 69.4 -35.9-123.3 94.9 -0.9 -32.5 -4.5 521 235 B D T 3 S- 0 0 166 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.965 123.0 -44.6 62.6 53.6 -3.9 -34.3 -3.0 522 236 B G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.086 121.8 104.6 76.5 -27.7 -6.4 -31.6 -4.2 523 237 B K E < -U 520 0G 150 -3,-1.4 -3,-2.4 -2,-0.2 2,-0.5 -0.448 69.2-130.6 -76.3 158.1 -4.1 -28.7 -3.0 524 238 B I E -U 519 0G 47 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.947 32.1-179.1-104.5 131.1 -2.0 -26.5 -5.3 525 239 B V E -U 518 0G 23 -7,-2.5 -7,-2.9 -2,-0.5 4,-0.1 -0.982 17.6-129.8-135.5 144.9 1.5 -26.3 -4.1 526 240 B G - 0 0 4 -2,-0.4 -27,-3.0 17,-0.4 -26,-0.2 -0.206 26.3-108.2 -87.7 176.6 4.5 -24.4 -5.5 527 241 B D S S+ 0 0 0 -29,-0.3 -26,-2.6 -34,-0.2 2,-0.4 0.408 100.6 73.9 -79.7 -3.5 8.0 -25.4 -6.4 528 242 B V B S-t 501 0F 2 -28,-0.2 2,-1.6 -29,-0.2 -29,-0.3 -0.946 87.6-122.8-114.3 138.4 9.3 -23.4 -3.4 529 243 B D > - 0 0 49 -28,-3.1 4,-2.4 -2,-0.4 3,-0.5 -0.645 37.6-175.8 -77.0 84.0 8.9 -24.5 0.3 530 244 B F H > S+ 0 0 57 -2,-1.6 4,-2.6 1,-0.3 5,-0.2 0.901 71.5 56.0 -59.8 -47.7 7.1 -21.3 1.1 531 245 B A H 4 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.875 116.1 38.9 -53.0 -41.7 6.7 -21.8 4.9 532 246 B A H 4 S+ 0 0 39 -3,-0.5 3,-0.5 1,-0.1 -1,-0.2 0.913 120.2 41.8 -73.8 -44.6 10.5 -22.2 5.2 533 247 B V H >X S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.2 4,-0.8 0.818 93.2 78.8 -82.3 -32.2 11.8 -19.6 2.8 534 248 B K T 3< S+ 0 0 85 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.728 89.3 57.4 -54.7 -26.5 9.4 -16.7 3.4 535 249 B D T 34 S+ 0 0 92 -3,-0.5 -1,-0.3 -4,-0.3 -250,-0.2 0.617 107.8 48.7 -78.0 -11.3 11.3 -15.6 6.6 536 250 B K T <4 S+ 0 0 49 -3,-2.6 -27,-2.7 -4,-0.1 -26,-0.3 0.687 97.0 85.4 -98.9 -21.3 14.5 -15.2 4.6 537 251 B V < - 0 0 0 -4,-0.8 -250,-2.4 -3,-0.2 -26,-0.2 -0.425 65.2-142.3 -99.5 154.4 13.4 -13.1 1.6 538 252 B A S S- 0 0 27 -28,-1.7 -250,-2.6 1,-0.3 2,-0.3 0.869 95.1 -10.4 -66.0 -40.6 12.8 -9.5 0.6 539 253 B A E -gk 288 511A 1 -29,-1.5 -27,-2.5 -252,-0.3 2,-0.3 -0.983 64.5-175.9-160.4 154.1 9.8 -10.8 -1.4 540 254 B I E -gk 289 512A 3 -252,-2.2 -250,-2.5 -2,-0.3 -27,-0.2 -0.988 24.5-125.9-158.0 144.5 8.1 -14.0 -2.6 541 255 B T - 0 0 0 -29,-1.6 5,-0.2 -2,-0.3 -27,-0.1 -0.753 29.5-139.6 -89.4 130.4 5.1 -15.1 -4.7 542 256 B P - 0 0 21 0, 0.0 5,-0.3 0, 0.0 -250,-0.2 -0.410 20.9-107.6 -83.1 167.9 2.7 -17.5 -2.9 543 257 B V S S+ 0 0 30 2,-0.2 -17,-0.4 3,-0.1 2,-0.2 -0.980 101.3 32.1-137.4 124.1 1.2 -20.5 -4.6 544 258 B P S S+ 0 0 88 0, 0.0 -251,-0.1 0, 0.0 -18,-0.1 0.673 129.6 28.4 -70.2 178.4 -1.7 -20.4 -5.3 545 259 B G S S+ 0 0 20 -2,-0.2 -252,-1.3 1,-0.1 -253,-1.1 0.705 102.0 84.5 84.2 24.4 -2.3 -16.7 -6.0 546 260 B G S > S- 0 0 1 -254,-0.2 4,-0.6 -255,-0.2 -3,-0.1 0.386 104.8 -10.9-117.9-107.9 1.1 -15.7 -7.2 547 261 B V H >> S+ 0 0 3 -33,-0.6 4,-1.2 -5,-0.3 3,-0.8 0.826 118.2 77.9 -68.7 -30.5 2.3 -16.2 -10.8 548 262 B G H >> S+ 0 0 34 1,-0.3 4,-0.8 2,-0.2 3,-0.8 0.894 95.2 43.1 -53.7 -49.7 -0.7 -18.4 -11.8 549 263 B P H 3> S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.783 106.4 64.2 -68.7 -23.9 -3.3 -15.6 -12.2 550 264 B M H < S+ 0 0 67 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.849 109.6 53.5 -75.9 -30.6 -0.9 -3.6 -34.0 566 280 B L H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.737 114.1 44.1 -65.6 -27.3 -3.0 -5.2 -36.7 567 281 B N T 3< 0 0 75 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.228 360.0 360.0-109.6 15.8 -5.0 -2.0 -37.0 568 282 B R < 0 0 245 -3,-0.9 -3,-0.1 -4,-0.1 -2,-0.1 0.428 360.0 360.0 -76.1 360.0 -2.0 0.4 -36.9