==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUN-10 3NO9 . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.LI,S.SWANSON,M.YU,L.-W.HUNG,J.C.SACCHETTINI,TB STRUCTURAL . 1810 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1322 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 3.9 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 . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 45 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 898 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 51 2.8 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 13 1 0 6 5 4 0 0 0 6 2 4 4 0 4 4 8 0 0 0 1 7 0 1 3 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 6 4 0 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 15 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 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 7 A S 0 0 120 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.0 44.6 15.5 -76.0 2 8 A A - 0 0 67 1,-0.2 0, 0.0 15,-0.0 0, 0.0 0.219 360.0 -53.1 -51.5 162.5 41.8 14.0 -74.0 3 9 A N + 0 0 130 1,-0.1 15,-1.8 14,-0.1 2,-0.3 -0.008 66.9 173.1 -43.9 114.1 38.2 14.4 -75.1 4 10 A Y - 0 0 91 -3,-0.3 -1,-0.1 13,-0.2 12,-0.0 -0.681 18.5-157.3-135.5 80.2 37.6 18.1 -75.5 5 11 A R - 0 0 104 11,-0.4 11,-1.2 -2,-0.3 2,-0.3 -0.091 24.3-126.1 -41.4 149.4 34.4 19.4 -77.0 6 12 A I E -A 15 0A 101 9,-0.2 2,-0.3 7,-0.0 9,-0.2 -0.806 27.1-177.1-109.0 149.9 34.7 22.9 -78.5 7 13 A E E -A 14 0A 50 7,-1.5 7,-0.6 -2,-0.3 2,-0.6 -0.992 17.1-135.1-147.5 152.6 32.6 26.0 -77.7 8 14 A H E +A 13 0A 88 -2,-0.3 2,-0.4 5,-0.1 5,-0.2 -0.909 16.7 177.7-122.4 107.4 32.4 29.6 -79.0 9 15 A D E > -A 12 0A 43 3,-1.2 3,-1.6 -2,-0.6 -2,-0.0 -0.805 53.6-101.0 -91.4 147.0 32.2 32.7 -76.9 10 16 A T T 3 S+ 0 0 149 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.722 122.8 61.6 -41.4 -28.3 32.2 35.8 -79.1 11 17 A M T 3 S- 0 0 104 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.931 114.7 -96.4 -68.4 -46.0 35.8 36.3 -78.1 12 18 A G E < -A 9 0A 32 -3,-1.6 -3,-1.2 -5,-0.0 2,-0.2 -0.928 60.9 -2.8 169.8-142.0 37.0 33.0 -79.7 13 19 A E E +A 8 0A 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.514 46.2 171.3 -91.6 152.7 37.8 29.3 -79.3 14 20 A V E -A 7 0A 6 -7,-0.6 -7,-1.5 -2,-0.2 2,-0.7 -0.913 23.0-143.4-166.4 136.4 37.9 27.2 -76.1 15 21 A R E -A 6 0A 119 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.1 -0.856 19.2-178.5-111.1 105.8 38.3 23.5 -75.1 16 22 A V - 0 0 0 -11,-1.2 -11,-0.4 -2,-0.7 4,-0.1 -0.814 40.0 -93.0-101.7 140.3 36.2 22.2 -72.1 17 23 A P > - 0 0 34 0, 0.0 3,-1.5 0, 0.0 -13,-0.2 -0.092 36.4-119.7 -45.0 146.9 36.5 18.5 -70.8 18 24 A A T 3 S+ 0 0 60 -15,-1.8 -14,-0.1 1,-0.3 -2,-0.0 0.815 111.7 50.6 -65.6 -33.7 33.8 16.3 -72.4 19 25 A K T 3 S+ 0 0 126 -16,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.296 88.6 116.6 -86.7 11.0 32.1 15.4 -69.1 20 26 A A < - 0 0 5 -3,-1.5 68,-0.1 1,-0.1 -4,-0.1 -0.672 45.9-171.2 -89.8 130.7 31.9 19.0 -68.2 21 27 A L + 0 0 19 -2,-0.4 91,-0.3 2,-0.1 -1,-0.1 0.486 66.0 90.6 -92.8 -7.0 28.5 20.8 -67.7 22 28 A W - 0 0 16 90,-0.1 2,-0.2 1,-0.1 83,-0.1 -0.403 66.3-149.3 -81.1 169.0 30.2 24.2 -67.4 23 29 A R >> - 0 0 51 -2,-0.1 4,-2.0 82,-0.1 3,-1.0 -0.626 36.4 -56.5-132.0-168.5 30.8 26.3 -70.5 24 30 A A H 3> S+ 0 0 6 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.767 124.1 51.0 -44.0 -54.6 33.1 28.9 -72.0 25 31 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.903 113.0 47.6 -53.0 -45.7 33.0 31.6 -69.3 26 32 A T H <> S+ 0 0 0 -3,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.932 110.7 51.6 -62.0 -44.8 33.8 29.1 -66.6 27 33 A Q H X S+ 0 0 22 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.879 110.4 48.8 -62.5 -39.0 36.6 27.6 -68.7 28 34 A R H X S+ 0 0 22 -4,-2.8 4,-2.7 2,-0.2 3,-0.4 0.952 108.7 52.4 -60.9 -50.7 38.2 31.1 -69.1 29 35 A A H X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.3 63,-0.3 0.812 107.1 55.5 -55.8 -30.7 37.9 31.8 -65.4 30 36 A V H < S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.883 111.1 42.4 -68.9 -38.9 39.7 28.5 -65.0 31 37 A E H < S+ 0 0 75 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.805 114.1 52.8 -76.4 -29.3 42.6 29.7 -67.2 32 38 A N H < S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.753 112.9 39.5 -78.3 -27.0 42.6 33.2 -65.6 33 39 A F < + 0 0 8 -4,-1.4 2,-2.0 -5,-0.2 3,-0.4 -0.370 56.9 151.6-125.4 56.0 42.9 32.2 -61.9 34 40 A P + 0 0 62 0, 0.0 792,-0.1 0, 0.0 -4,-0.1 -0.532 40.4 117.9 -79.1 77.4 45.2 29.2 -61.5 35 41 A I S S+ 0 0 1 -2,-2.0 787,-0.3 59,-0.1 788,-0.1 0.867 79.2 3.4-113.1 -58.2 46.1 30.4 -58.0 36 42 A S S S- 0 0 10 -3,-0.4 3,-0.1 2,-0.2 783,-0.1 0.668 77.6-134.2-106.6 -27.1 45.3 28.0 -55.2 37 43 A G S S+ 0 0 76 -4,-0.3 2,-0.4 1,-0.2 55,-0.0 0.552 71.7 111.5 77.3 10.6 43.9 24.9 -57.0 38 44 A R - 0 0 38 1,-0.0 55,-2.3 3,-0.0 56,-0.3 -0.962 47.6-169.2-119.5 130.1 41.0 24.8 -54.6 39 45 A G - 0 0 21 -2,-0.4 53,-0.1 1,-0.2 54,-0.1 -0.037 41.1 -36.6 -99.3-156.6 37.4 25.6 -55.6 40 46 A L - 0 0 18 49,-0.5 -1,-0.2 51,-0.3 2,-0.1 -0.348 61.1-113.3 -66.7 142.9 34.1 26.2 -53.9 41 47 A E >> - 0 0 36 1,-0.1 4,-1.8 -3,-0.1 3,-1.1 -0.445 26.8-114.2 -69.1 149.2 33.2 24.2 -50.8 42 48 A R H 3> S+ 0 0 165 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.892 116.8 55.7 -50.0 -47.9 30.3 21.7 -51.0 43 49 A T H 3> S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.816 109.2 49.6 -57.7 -27.9 28.1 23.7 -48.6 44 50 A Q H <> S+ 0 0 2 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.829 108.2 50.7 -80.8 -36.7 28.6 26.7 -50.8 45 51 A I H X S+ 0 0 2 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.925 109.3 52.4 -67.3 -43.1 27.7 24.9 -54.0 46 52 A R H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 107.7 51.7 -57.6 -45.1 24.5 23.7 -52.3 47 53 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.894 106.3 52.6 -63.6 -40.0 23.6 27.2 -51.3 48 54 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.914 110.1 51.7 -60.5 -39.8 24.0 28.5 -54.9 49 55 A G H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.951 109.8 46.6 -58.6 -55.2 21.7 25.7 -55.9 50 56 A L H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.928 114.0 49.3 -51.8 -49.4 19.0 26.7 -53.3 51 57 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.917 109.3 48.9 -63.5 -46.3 19.3 30.3 -54.3 52 58 A K H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 112.7 49.7 -60.7 -40.7 18.9 29.9 -58.1 53 59 A G H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.2 49.3 -62.5 -47.8 15.9 27.6 -57.6 54 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.926 110.4 51.5 -59.1 -43.6 14.2 30.1 -55.3 55 61 A C H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.895 110.0 48.3 -60.8 -43.3 14.8 32.9 -57.8 56 62 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.916 109.8 53.8 -64.4 -42.7 13.3 30.9 -60.7 57 63 A Q H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 114.0 41.1 -53.3 -48.0 10.3 30.1 -58.5 58 64 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.890 110.9 54.9 -72.6 -42.1 9.7 33.8 -57.7 59 65 A N H <>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 6,-0.9 0.904 112.3 46.2 -55.7 -42.3 10.4 35.0 -61.3 60 66 A S H ><5S+ 0 0 30 -4,-2.3 3,-2.5 4,-0.2 -2,-0.2 0.943 107.7 55.6 -64.7 -49.4 7.7 32.6 -62.4 61 67 A D H 3<5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.863 108.8 48.2 -51.3 -39.8 5.3 33.6 -59.7 62 68 A L T 3<5S- 0 0 53 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.345 116.3-117.3 -85.6 7.3 5.6 37.2 -60.9 63 69 A G T < 5S+ 0 0 63 -3,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.829 83.5 118.3 60.9 35.1 5.0 36.1 -64.5 64 70 A L S > - 0 0 40 -2,-0.4 4,-2.3 1,-0.1 3,-0.9 -0.371 28.9-127.2 -59.0 128.8 8.0 31.1 -68.6 67 73 A P H 3> S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.726 106.6 57.9 -49.3 -32.2 6.9 28.2 -66.3 68 74 A E H 3> S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.905 110.5 42.1 -67.8 -42.5 8.6 25.6 -68.5 69 75 A K H <> S+ 0 0 63 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.928 113.7 53.5 -67.4 -44.7 12.0 27.3 -68.2 70 76 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.912 107.7 50.1 -55.0 -48.3 11.3 27.9 -64.5 71 77 A D H X S+ 0 0 104 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.817 109.8 50.7 -63.2 -34.7 10.6 24.2 -63.9 72 78 A A H X S+ 0 0 16 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.885 112.7 46.2 -70.7 -39.2 13.8 23.1 -65.6 73 79 A I H X S+ 0 0 2 -4,-2.3 4,-3.7 2,-0.2 5,-0.3 0.949 111.3 52.8 -63.2 -48.7 15.9 25.6 -63.5 74 80 A I H X S+ 0 0 47 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.875 112.4 43.5 -56.6 -41.7 14.1 24.4 -60.4 75 81 A A H X S+ 0 0 56 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.862 115.8 48.3 -75.2 -36.3 14.9 20.8 -61.0 76 82 A A H >X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 3,-0.7 0.959 111.5 49.5 -64.7 -51.8 18.5 21.5 -62.1 77 83 A A H 3X S+ 0 0 3 -4,-3.7 4,-2.7 1,-0.2 -2,-0.2 0.826 106.3 58.8 -55.2 -33.0 19.0 23.7 -59.0 78 84 A A H 3X S+ 0 0 55 -4,-1.3 4,-0.9 -5,-0.3 -1,-0.2 0.858 104.4 48.4 -71.4 -34.3 17.6 20.9 -56.9 79 85 A E H <<>S+ 0 0 64 -4,-1.3 5,-2.3 -3,-0.7 3,-0.3 0.925 113.5 48.0 -67.4 -45.3 20.3 18.3 -58.1 80 86 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 5,-0.4 0.920 111.9 48.8 -58.6 -46.0 23.0 20.9 -57.4 81 87 A A H 3<5S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.712 106.5 58.0 -69.2 -20.0 21.6 21.6 -54.0 82 88 A D T 3<5S- 0 0 111 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.316 120.4-110.2 -92.9 5.4 21.4 17.9 -53.3 83 89 A G T < 5S+ 0 0 34 -3,-1.7 3,-0.5 -41,-0.1 -3,-0.2 0.729 78.3 130.6 79.9 25.0 25.1 17.7 -53.9 84 90 A Q S + 0 0 23 -5,-0.4 3,-2.8 -6,-0.3 -1,-0.2 0.143 61.4 132.0-137.7 24.6 27.4 18.1 -59.1 86 92 A D T 3 S+ 0 0 34 -3,-0.5 3,-0.5 1,-0.3 -2,-0.1 0.652 76.1 62.0 -53.5 -12.2 30.1 19.2 -56.6 87 93 A D T 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.225 87.0 72.2 -99.8 12.4 32.6 18.3 -59.5 88 94 A Q S < S+ 0 0 9 -3,-2.8 -1,-0.2 1,-0.1 -2,-0.1 0.162 79.0 78.0-110.4 18.7 31.2 20.9 -61.9 89 95 A F + 0 0 11 -3,-0.5 -49,-0.5 1,-0.1 -1,-0.1 -0.696 46.2 154.1-130.5 77.7 32.6 24.0 -60.1 90 96 A P + 0 0 49 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.531 29.5 122.3 -85.5 -11.2 36.4 24.2 -61.0 91 97 A I - 0 0 2 1,-0.1 -51,-0.3 10,-0.1 -61,-0.1 -0.323 68.5-107.1 -64.3 130.6 36.9 27.9 -60.5 92 98 A D - 0 0 8 -63,-0.3 -53,-0.2 -59,-0.2 -1,-0.1 -0.149 17.2-125.9 -52.9 142.9 39.6 29.0 -58.0 93 99 A V S S+ 0 0 4 -55,-2.3 2,-1.2 1,-0.2 -1,-0.1 0.873 103.6 72.0 -55.2 -38.8 38.4 30.5 -54.7 94 100 A F S S+ 0 0 0 -56,-0.3 2,-0.2 -61,-0.2 -1,-0.2 -0.682 76.5 113.3 -84.6 95.5 40.7 33.4 -55.6 95 101 A Q S S- 0 0 0 -2,-1.2 258,-0.1 1,-0.2 684,-0.1 -0.560 71.4 -19.5-139.8-162.3 38.7 35.1 -58.4 96 102 A T > - 0 0 12 -2,-0.2 3,-2.0 1,-0.2 -1,-0.2 -0.311 67.5-121.7 -54.0 134.6 36.8 38.3 -59.1 97 103 A G T 3 S+ 0 0 0 1,-0.3 254,-1.2 2,-0.1 -1,-0.2 0.585 107.1 55.6 -63.4 -13.6 36.0 39.8 -55.7 98 104 A S T 3 S- 0 0 0 251,-0.1 -1,-0.3 253,-0.1 39,-0.3 0.628 109.7-116.6 -91.8 -15.4 32.2 39.9 -56.2 99 105 A G <> + 0 0 0 -3,-2.0 4,-1.9 250,-0.1 5,-0.2 0.641 67.2 143.6 84.5 16.9 32.0 36.2 -57.0 100 106 A T H > + 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 67.0 54.7 -52.2 -45.2 30.8 36.8 -60.6 101 107 A S H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 110.1 44.1 -59.0 -51.0 32.8 33.9 -62.0 102 108 A S H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.817 112.0 55.0 -66.4 -30.6 31.3 31.3 -59.6 103 109 A N H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.922 110.1 44.6 -67.1 -43.5 27.9 32.9 -60.2 104 110 A M H X S+ 0 0 65 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.878 108.8 58.8 -65.1 -38.6 28.2 32.4 -64.0 105 111 A N H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 106.9 47.3 -53.1 -46.5 29.6 28.9 -63.3 106 112 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.925 111.5 50.2 -66.3 -44.5 26.3 28.1 -61.6 107 113 A N H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.903 111.3 48.3 -57.8 -46.0 24.2 29.6 -64.4 108 114 A E H X S+ 0 0 13 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.906 111.3 49.3 -62.9 -44.4 26.1 27.6 -67.1 109 115 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.886 109.7 51.8 -64.1 -38.8 25.8 24.3 -65.3 110 116 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.889 111.1 48.1 -66.0 -38.5 22.1 24.8 -64.7 111 117 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 10,-0.2 0.861 111.2 50.0 -68.4 -37.3 21.6 25.5 -68.4 112 118 A S H X S+ 0 0 9 -4,-2.1 4,-1.6 -91,-0.3 -2,-0.2 0.913 112.7 47.3 -66.3 -41.9 23.6 22.4 -69.4 113 119 A I H < S+ 0 0 19 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.887 112.4 48.9 -66.5 -40.4 21.6 20.2 -67.1 114 120 A A H ><>S+ 0 0 5 -4,-2.1 5,-2.2 1,-0.2 3,-1.0 0.871 108.8 54.7 -67.3 -34.9 18.3 21.7 -68.4 115 121 A A H ><5S+ 0 0 48 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.846 99.4 58.7 -67.8 -35.4 19.5 21.1 -71.9 116 122 A K T 3<5S+ 0 0 173 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.608 105.9 53.1 -68.6 -8.6 20.1 17.4 -71.3 117 123 A G T < 5S- 0 0 59 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.048 128.2-100.7-111.8 20.0 16.5 17.4 -70.4 118 124 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.688 85.0 117.3 73.5 21.2 15.4 18.9 -73.6 119 125 A V < - 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0 0 37 -2,-0.3 4,-2.0 1,-0.1 -1,-0.1 -0.245 34.9-113.7 -69.4 165.8 62.8 -10.7 -24.1 1773 418 D Y H > S+ 0 0 190 2,-0.2 4,-1.6 3,-0.2 -1,-0.1 0.798 122.8 54.7 -49.3 -34.5 60.6 -7.9 -25.2 1774 419 D E H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.938 107.4 41.4 -76.4 -48.6 58.3 -9.8 -22.7 1775 420 D E H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 115.3 54.1 -63.7 -39.9 60.5 -9.9 -19.6 1776 421 D A H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.897 109.7 47.9 -56.3 -39.1 61.5 -6.3 -20.4 1777 422 D A H X S+ 0 0 41 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.802 111.0 49.4 -74.6 -30.7 57.7 -5.4 -20.4 1778 423 D A H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.859 108.6 53.8 -73.7 -36.8 57.1 -7.2 -17.2 1779 424 D V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.942 109.5 48.6 -58.6 -46.9 60.0 -5.4 -15.6 1780 425 D A H X S+ 0 0 13 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.897 112.3 47.8 -61.2 -42.5 58.4 -2.1 -16.7 1781 426 D K H X S+ 0 0 103 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.910 113.7 48.1 -64.6 -40.6 55.0 -3.2 -15.3 1782 427 D Q H X S+ 0 0 49 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.923 106.3 54.7 -70.3 -44.7 56.5 -4.2 -12.0 1783 428 D A H X>S+ 0 0 2 -4,-2.7 5,-1.9 1,-0.2 4,-0.6 0.876 110.9 47.0 -53.4 -41.7 58.6 -1.1 -11.4 1784 429 D L H <5S+ 0 0 69 -4,-1.4 3,-0.4 3,-0.2 -1,-0.2 0.930 113.9 46.5 -66.2 -46.5 55.5 1.1 -11.8 1785 430 D K H <5S+ 0 0 168 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 123.4 34.7 -62.8 -39.5 53.4 -1.0 -9.5 1786 431 D E H <5S- 0 0 81 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.415 104.1-129.1 -95.3 -0.9 56.2 -1.2 -6.8 1787 432 D R T <5 + 0 0 208 -4,-0.6 2,-0.2 -3,-0.4 -3,-0.2 0.937 60.8 136.0 48.1 55.0 57.5 2.3 -7.5 1788 433 D K < - 0 0 61 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.1 -0.742 61.7 -90.1-118.3 170.5 61.1 1.1 -7.9 1789 434 D T > - 0 0 31 -2,-0.2 4,-2.0 1,-0.1 -30,-0.3 -0.464 36.2-117.9 -71.0 156.4 63.9 1.9 -10.3 1790 435 D I H > S+ 0 0 0 -32,-3.1 4,-1.9 1,-0.2 -31,-0.1 0.851 116.8 56.0 -59.6 -36.2 64.0 -0.3 -13.4 1791 436 D R H > S+ 0 0 84 -33,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.895 108.6 44.5 -67.1 -40.4 67.4 -1.4 -12.2 1792 437 D Q H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.831 109.6 56.5 -73.0 -31.5 66.1 -2.5 -8.8 1793 438 D T H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.896 106.3 50.9 -66.2 -39.0 63.2 -4.3 -10.5 1794 439 D V H <>S+ 0 0 2 -4,-1.9 5,-2.0 1,-0.2 6,-0.3 0.901 113.3 44.9 -62.2 -42.9 65.6 -6.3 -12.6 1795 440 D I H ><5S+ 0 0 57 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.839 110.6 54.4 -70.2 -33.2 67.5 -7.3 -9.5 1796 441 D D H 3<5S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.779 104.2 53.8 -73.7 -26.4 64.3 -8.1 -7.5 1797 442 D R T 3<5S- 0 0 101 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.413 114.7-120.9 -83.2 -1.5 63.1 -10.5 -10.3 1798 443 D G T < 5 + 0 0 59 -3,-0.9 -3,-0.2 -5,-0.1 -2,-0.1 0.852 66.4 141.5 68.5 37.3 66.4 -12.2 -9.9 1799 444 D L < + 0 0 33 -5,-2.0 2,-0.3 6,-0.0 -4,-0.1 0.547 36.1 103.7 -87.1 -7.8 67.5 -11.7 -13.5 1800 445 D I + 0 0 46 -6,-0.3 5,-0.2 -5,-0.2 2,-0.1 -0.572 66.2 35.7 -86.4 143.5 71.2 -11.1 -12.7 1801 446 D G 0 0 39 3,-2.3 4,-0.1 -2,-0.3 0, 0.0 0.085 360.0 360.0 90.8 146.5 73.8 -13.7 -13.3 1802 447 D D 0 0 205 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.955 360.0 360.0 80.1 360.0 73.5 -16.1 -16.3 1803 ! 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 1804 449 D L 0 0 34 0, 0.0 -3,-2.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 136.7 73.4 -10.7 -17.9 1805 450 D S > - 0 0 46 -5,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.247 360.0-102.7 -87.9 178.3 75.8 -9.6 -15.3 1806 451 D I H > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.775 120.6 53.6 -76.3 -25.3 75.6 -6.6 -13.1 1807 452 D E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.795 110.1 49.5 -75.8 -27.5 78.1 -4.6 -15.1 1808 453 D D H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.865 108.2 53.0 -75.6 -34.4 76.1 -5.3 -18.2 1809 454 D L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.809 111.8 45.5 -67.7 -31.7 72.9 -4.2 -16.4 1810 455 D D H < S+ 0 0 63 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.797 109.9 53.3 -86.0 -29.1 74.6 -0.9 -15.5 1811 456 D R H >< S+ 0 0 161 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.913 116.3 41.5 -64.0 -39.1 76.0 -0.4 -18.9 1812 457 D R H 3< S+ 0 0 55 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.842 116.2 45.4 -83.0 -33.2 72.5 -0.8 -20.3 1813 458 D L T 3< S+ 0 0 13 -4,-1.9 2,-1.2 -5,-0.1 -1,-0.2 0.048 75.6 131.4 -98.7 25.9 70.5 1.1 -17.7 1814 459 D D <> - 0 0 66 -3,-0.7 4,-2.1 1,-0.2 3,-0.4 -0.652 34.8-174.2 -81.5 96.1 72.9 4.1 -17.7 1815 460 D V H > S+ 0 0 1 -2,-1.2 4,-1.6 1,-0.3 -1,-0.2 0.863 81.0 54.8 -66.8 -33.4 70.5 7.0 -18.1 1816 461 D L H 4>S+ 0 0 35 1,-0.2 5,-1.3 2,-0.2 -1,-0.3 0.855 109.4 47.3 -68.2 -33.5 73.2 9.6 -18.5 1817 462 D A H >45S+ 0 0 59 -3,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.854 107.3 57.7 -73.6 -33.8 74.7 7.7 -21.4 1818 463 D M H 3<5S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.809 102.7 54.1 -63.1 -31.7 71.2 7.3 -22.9 1819 464 D A T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -264,-0.2 0.623 114.3-124.3 -73.0 -12.9 71.0 11.1 -23.0 1820 465 D K T < 5 0 0 73 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.964 360.0 360.0 62.1 55.4 74.3 11.1 -24.9 1821 466 D A < 0 0 79 -5,-1.3 -4,-0.1 -282,-0.1 -266,-0.1 0.881 360.0 360.0 -18.8 360.0 76.4 13.4 -22.6