==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-AUG-11 3TLX . COMPND 2 MOLECULE: ADENYLATE KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,P.LOPPNAU,L.CROMBET,J.WEADGE,A.PERIETEANU,A.M. . 812 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 48 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 2 0 0 1 7 3 1 3 6 5 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 8 5 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 8 A F 0 0 110 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 102.7 0.5 -4.0 29.4 2 9 A S > - 0 0 60 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.199 360.0-112.5 -68.5 157.9 3.0 -5.7 31.8 3 10 A T H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.899 122.2 49.7 -59.1 -42.6 6.8 -5.5 31.8 4 11 A I H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 112.7 47.0 -61.9 -44.6 7.0 -9.2 30.9 5 12 A D H > S+ 0 0 102 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.838 113.0 50.3 -65.3 -34.4 4.4 -8.5 28.1 6 13 A L H X S+ 0 0 27 -4,-2.4 4,-1.4 2,-0.2 3,-0.4 0.946 112.6 44.9 -68.6 -48.7 6.5 -5.5 27.0 7 14 A L H X S+ 0 0 10 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.802 110.3 55.8 -63.6 -34.5 9.8 -7.6 26.9 8 15 A N H X S+ 0 0 72 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.819 102.8 55.4 -69.1 -32.0 8.0 -10.5 25.1 9 16 A E H X S+ 0 0 24 -4,-1.2 4,-2.7 -3,-0.4 -2,-0.2 0.916 108.4 48.8 -64.4 -42.9 6.9 -7.9 22.3 10 17 A L H X S+ 0 0 5 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.919 107.3 54.2 -63.3 -44.2 10.7 -7.1 21.9 11 18 A K H X S+ 0 0 44 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.925 113.3 43.5 -53.0 -49.3 11.6 -10.8 21.7 12 19 A R H X S+ 0 0 65 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.893 115.3 49.1 -62.3 -45.9 9.0 -11.2 18.8 13 20 A R H X S+ 0 0 41 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.913 111.1 48.2 -61.4 -47.2 10.2 -7.9 17.2 14 21 A Y H X S+ 0 0 9 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.687 104.6 62.5 -71.4 -19.9 13.9 -8.9 17.3 15 22 A A H < S+ 0 0 58 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.898 112.2 34.1 -69.7 -43.4 13.0 -12.3 15.8 16 23 A C H >< S+ 0 0 24 -4,-1.3 3,-1.4 -3,-0.3 -2,-0.2 0.813 113.6 58.1 -85.1 -29.7 11.6 -10.9 12.5 17 24 A L H 3< S+ 0 0 46 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.859 105.5 53.2 -63.3 -33.7 14.1 -7.9 12.4 18 25 A S T 3< S+ 0 0 69 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.392 89.5 101.4 -80.1 -0.9 16.9 -10.6 12.4 19 26 A K S < S- 0 0 72 -3,-1.4 215,-0.0 25,-0.1 -3,-0.0 -0.659 85.2 -97.1 -84.3 144.6 15.3 -12.4 9.4 20 27 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.201 36.9-108.9 -60.1 151.4 16.9 -11.8 5.9 21 28 A D - 0 0 24 320,-0.1 2,-0.3 78,-0.0 80,-0.2 -0.451 45.0-171.4 -72.1 149.8 15.5 -9.2 3.6 22 29 A G E -a 101 0A 0 78,-0.9 80,-1.5 23,-0.1 2,-0.5 -0.960 30.3-168.7-154.9 140.0 13.8 -10.9 0.6 23 30 A R E +a 102 0A 39 -2,-0.3 106,-3.7 78,-0.3 107,-1.1 -0.947 34.2 160.8-127.4 99.8 12.2 -10.0 -2.7 24 31 A Y E -ab 103 130A 24 78,-2.0 80,-1.9 -2,-0.5 2,-0.4 -0.841 34.5-139.6-122.3 161.6 10.3 -13.0 -4.1 25 32 A I E -ab 104 131A 4 105,-1.4 107,-2.5 -2,-0.3 2,-0.7 -0.982 11.9-150.5-117.2 130.7 7.6 -14.0 -6.6 26 33 A F E -ab 105 132A 4 78,-2.6 80,-0.8 -2,-0.4 2,-0.4 -0.923 21.0-172.5-102.4 111.0 5.0 -16.6 -5.7 27 34 A L E + b 0 133A 21 105,-3.3 107,-3.2 -2,-0.7 2,-0.2 -0.936 27.4 104.4-109.9 132.7 4.0 -18.3 -9.0 28 35 A G - 0 0 7 -2,-0.4 3,-0.1 105,-0.2 4,-0.1 -0.746 66.4 -77.6 164.0 151.7 1.1 -20.8 -9.3 29 36 A A > - 0 0 9 105,-0.4 3,-1.5 -2,-0.2 5,-0.3 0.024 68.1 -73.3 -57.2 164.8 -2.6 -21.2 -10.4 30 37 A P T 3 S+ 0 0 30 0, 0.0 115,-0.2 0, 0.0 -1,-0.1 -0.511 123.6 30.9 -66.6 136.4 -5.5 -19.8 -8.2 31 38 A G T 3 S+ 0 0 9 -2,-0.2 -2,-0.1 113,-0.1 113,-0.0 0.364 83.4 117.8 96.6 1.4 -6.0 -22.0 -5.1 32 39 A S S < S- 0 0 1 -3,-1.5 -3,-0.1 -4,-0.1 -5,-0.0 0.665 89.5-105.4 -68.2 -26.0 -2.3 -22.9 -4.9 33 40 A G S > S+ 0 0 16 -4,-0.2 4,-2.2 -5,-0.1 5,-0.2 0.599 77.0 135.0 104.5 20.7 -1.9 -21.2 -1.5 34 41 A K H > S+ 0 0 27 -5,-0.3 4,-2.0 2,-0.2 5,-0.1 0.930 77.0 43.9 -63.2 -51.0 0.0 -18.0 -2.6 35 42 A G H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 112.9 53.2 -61.4 -43.7 -2.1 -15.6 -0.5 36 43 A T H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.935 113.4 41.8 -55.2 -52.5 -1.9 -18.0 2.5 37 44 A Q H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.790 110.7 58.0 -70.7 -27.3 1.9 -18.2 2.4 38 45 A S H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.842 105.0 50.2 -69.8 -35.8 2.2 -14.4 1.7 39 46 A L H X S+ 0 0 39 -4,-1.9 4,-1.3 -3,-0.2 -1,-0.2 0.845 109.1 53.2 -70.2 -33.5 0.3 -13.7 5.0 40 47 A N H X S+ 0 0 36 -4,-1.2 4,-2.6 2,-0.2 3,-0.3 0.942 110.7 44.6 -65.0 -52.3 2.7 -16.0 6.8 41 48 A L H X>S+ 0 0 4 -4,-2.0 4,-3.1 1,-0.2 6,-1.0 0.801 107.5 59.6 -64.1 -32.4 5.8 -14.2 5.6 42 49 A K H X5S+ 0 0 108 -4,-1.6 4,-0.6 4,-0.2 -1,-0.2 0.883 113.9 38.2 -62.9 -37.8 4.2 -10.8 6.3 43 50 A K H <5S+ 0 0 135 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.893 126.6 34.5 -78.0 -44.0 4.0 -12.0 9.9 44 51 A S H <5S+ 0 0 31 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.800 135.7 19.5 -84.1 -33.2 7.3 -13.8 10.2 45 52 A H H <5S- 0 0 6 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.376 92.8-124.9-119.5 -2.1 9.6 -11.7 7.9 46 53 A C << + 0 0 64 -5,-0.6 54,-0.3 -4,-0.6 -4,-0.2 0.725 54.5 160.8 57.7 27.0 7.7 -8.3 7.7 47 54 A Y - 0 0 2 -6,-1.0 55,-0.3 53,-0.1 2,-0.2 -0.503 45.5-107.5 -74.6 144.4 7.7 -8.7 3.9 48 55 A C E -c 102 0A 8 53,-3.1 55,-2.7 -2,-0.2 2,-1.0 -0.534 22.7-137.0 -77.4 136.5 5.2 -6.7 2.0 49 56 A H E -c 103 0A 22 -2,-0.2 2,-1.1 53,-0.2 55,-0.1 -0.813 21.3-171.7 -95.2 98.3 2.3 -8.7 0.5 50 57 A L E +c 104 0A 0 53,-2.9 55,-2.8 -2,-1.0 2,-0.6 -0.780 8.4 175.4 -94.5 96.2 1.9 -7.2 -3.0 51 58 A S E > -c 105 0A 12 -2,-1.1 4,-2.2 53,-0.2 55,-0.2 -0.913 19.6-169.8-104.7 115.5 -1.2 -8.7 -4.4 52 59 A T H > S+ 0 0 8 53,-1.3 4,-2.4 -2,-0.6 5,-0.2 0.869 91.9 57.5 -69.8 -34.7 -2.3 -7.4 -7.8 53 60 A G H > S+ 0 0 43 52,-0.5 4,-2.7 2,-0.2 5,-0.2 0.941 109.4 44.0 -57.8 -48.8 -5.6 -9.3 -7.4 54 61 A D H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.928 115.5 47.9 -61.7 -48.1 -6.3 -7.3 -4.1 55 62 A L H X S+ 0 0 24 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.749 116.0 44.4 -62.6 -32.6 -5.2 -4.0 -5.7 56 63 A L H X S+ 0 0 23 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.862 110.4 51.3 -83.3 -38.2 -7.3 -4.6 -8.8 57 64 A R H < S+ 0 0 52 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.835 112.2 50.8 -63.1 -32.4 -10.5 -5.8 -6.8 58 65 A E H >< S+ 0 0 128 -4,-1.8 3,-0.8 -5,-0.2 4,-0.3 0.888 111.2 46.2 -68.9 -44.5 -10.0 -2.5 -4.8 59 66 A A H >< S+ 0 0 40 -4,-1.2 3,-1.0 1,-0.2 -2,-0.2 0.816 107.7 58.6 -67.8 -31.8 -9.8 -0.6 -8.1 60 67 A A T 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.586 95.0 65.2 -72.8 -14.9 -12.9 -2.5 -9.3 61 68 A E T < S+ 0 0 163 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.2 0.604 78.0 103.3 -82.2 -17.6 -14.9 -1.1 -6.3 62 69 A K S < S- 0 0 53 -3,-1.0 2,-1.6 -4,-0.3 5,-0.1 -0.554 76.7-132.5 -71.9 126.7 -14.6 2.5 -7.7 63 70 A K S S+ 0 0 119 -2,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.274 71.7 106.7 -79.1 50.9 -17.9 3.7 -9.3 64 71 A T S > S- 0 0 57 -2,-1.6 4,-2.0 1,-0.0 5,-0.2 -0.733 87.9-100.9-122.2 167.7 -16.1 5.0 -12.5 65 72 A E H > S+ 0 0 91 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.898 126.6 50.0 -56.3 -43.9 -15.8 3.8 -16.1 66 73 A L H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 108.3 55.4 -61.6 -38.1 -12.3 2.3 -15.3 67 74 A G H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.902 108.5 44.7 -61.4 -48.7 -13.9 0.6 -12.3 68 75 A L H X S+ 0 0 49 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.890 111.7 54.8 -63.3 -41.8 -16.6 -1.2 -14.4 69 76 A K H X S+ 0 0 71 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.922 113.6 40.4 -57.1 -49.9 -13.9 -2.2 -16.9 70 77 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.902 114.2 53.1 -67.6 -44.8 -11.7 -3.8 -14.2 71 78 A K H X S+ 0 0 36 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.875 111.8 45.9 -58.2 -42.0 -14.8 -5.4 -12.4 72 79 A N H X S+ 0 0 113 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.826 113.4 47.8 -72.1 -35.9 -16.0 -7.0 -15.6 73 80 A I H <>S+ 0 0 55 -4,-1.6 5,-1.8 -5,-0.2 4,-0.5 0.932 115.1 46.6 -69.1 -46.0 -12.5 -8.3 -16.6 74 81 A I H ><5S+ 0 0 34 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.941 112.8 48.3 -58.6 -53.8 -11.9 -9.7 -13.1 75 82 A N H 3<5S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.668 109.6 54.1 -64.2 -21.1 -15.4 -11.4 -12.9 76 83 A E T 3<5S- 0 0 58 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.541 113.1-121.1 -87.0 -12.2 -14.8 -12.9 -16.4 77 84 A G T < 5 + 0 0 8 -3,-1.6 118,-0.2 -4,-0.5 -3,-0.2 0.548 69.9 128.1 80.9 11.9 -11.6 -14.5 -15.2 78 85 A K < - 0 0 51 -5,-1.8 2,-0.4 -6,-0.2 -1,-0.3 -0.382 62.9 -91.5 -93.7 170.3 -9.4 -12.6 -17.8 79 86 A L - 0 0 62 -2,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.713 30.8-127.7 -90.7 135.8 -6.3 -10.5 -17.3 80 87 A V - 0 0 14 -2,-0.4 5,-0.1 1,-0.2 -1,-0.0 -0.359 51.8 -71.3 -69.6 152.5 -6.3 -6.7 -16.9 81 88 A D >> - 0 0 92 1,-0.1 4,-1.6 -2,-0.1 3,-0.7 -0.249 39.9-128.1 -53.5 131.9 -4.1 -4.6 -19.3 82 89 A D H 3> S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.789 107.6 55.1 -49.4 -43.0 -0.3 -5.0 -18.6 83 90 A Q H 3> S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.842 106.9 51.3 -63.8 -36.8 0.3 -1.2 -18.4 84 91 A M H <> S+ 0 0 67 -3,-0.7 4,-1.2 2,-0.2 3,-0.2 0.923 111.4 45.1 -68.0 -48.0 -2.4 -0.8 -15.7 85 92 A V H X S+ 0 0 5 -4,-1.6 4,-2.5 1,-0.2 3,-0.4 0.901 108.1 59.2 -62.8 -41.9 -1.0 -3.5 -13.4 86 93 A L H X S+ 0 0 46 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.842 103.8 51.0 -54.1 -42.5 2.6 -2.1 -13.9 87 94 A S H X S+ 0 0 69 -4,-1.2 4,-1.5 -3,-0.2 -1,-0.2 0.824 110.5 48.3 -68.5 -34.0 1.5 1.3 -12.5 88 95 A L H X S+ 0 0 42 -4,-1.2 4,-2.7 -3,-0.4 -2,-0.2 0.935 114.9 44.7 -70.9 -46.1 -0.0 -0.3 -9.4 89 96 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.941 111.7 53.4 -63.1 -48.0 3.1 -2.5 -8.7 90 97 A D H < S+ 0 0 85 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.851 113.1 44.9 -54.3 -39.6 5.4 0.5 -9.4 91 98 A E H >X S+ 0 0 62 -4,-1.5 3,-1.0 2,-0.2 4,-0.6 0.936 114.4 45.4 -73.5 -48.3 3.4 2.5 -6.8 92 99 A K H >< S+ 0 0 73 -4,-2.7 3,-1.2 1,-0.2 6,-0.2 0.884 106.6 60.2 -66.4 -33.0 3.2 -0.2 -4.1 93 100 A L T 3< S+ 0 0 17 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.724 101.4 55.8 -66.0 -16.4 7.0 -1.0 -4.5 94 101 A K T <4 S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.717 86.2 103.5 -84.5 -22.4 7.7 2.7 -3.5 95 102 A T S X< S- 0 0 43 -3,-1.2 3,-1.5 -4,-0.6 4,-0.0 -0.169 82.9-119.7 -61.2 151.0 5.7 2.3 -0.1 96 103 A P G > S+ 0 0 109 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.598 107.7 75.2 -73.9 -5.7 7.8 1.9 3.1 97 104 A Q G 3 S+ 0 0 123 1,-0.2 4,-0.3 -5,-0.2 3,-0.2 0.648 92.5 56.4 -73.4 -17.0 6.3 -1.5 3.7 98 105 A C G < S+ 0 0 9 -3,-1.5 -1,-0.2 -6,-0.2 4,-0.1 0.249 79.1 91.0 -98.2 4.2 8.5 -2.9 0.9 99 106 A K S < S+ 0 0 81 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.859 91.4 42.4 -73.7 -34.3 11.9 -1.8 2.4 100 107 A K S S- 0 0 37 1,-0.4 -78,-0.9 -54,-0.3 2,-0.2 0.829 131.9 -80.4 -76.3 -31.3 12.5 -5.1 4.3 101 108 A G E -a 22 0A 0 -4,-0.3 -53,-3.1 -55,-0.2 -1,-0.4 -0.867 45.0-124.5 151.1 177.7 11.3 -7.0 1.2 102 109 A F E -ac 23 48A 5 -80,-1.5 -78,-2.0 -55,-0.3 2,-0.4 -0.935 7.0-133.7-148.0 169.3 8.1 -8.1 -0.6 103 110 A I E -ac 24 49A 0 -55,-2.7 -53,-2.9 -2,-0.3 2,-0.8 -0.999 18.2-149.3-127.6 120.7 6.1 -11.0 -2.1 104 111 A L E +ac 25 50A 0 -80,-1.9 -78,-2.6 -2,-0.4 2,-0.5 -0.882 21.3 179.9 -91.8 109.7 4.6 -10.5 -5.6 105 112 A D E S+ac 26 51A 16 -55,-2.8 -53,-1.3 -2,-0.8 -52,-0.5 -0.969 71.9 5.7-117.0 105.5 1.4 -12.6 -5.5 106 113 A G S S+ 0 0 34 -80,-0.8 -55,-0.1 -2,-0.5 -1,-0.1 0.252 103.6 124.0 103.2 -9.7 -0.4 -12.4 -8.8 107 114 A Y + 0 0 2 -57,-0.3 -81,-0.2 1,-0.2 -1,-0.1 -1.000 57.5 32.0-131.9 131.2 2.3 -10.5 -10.7 108 115 A P + 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.543 62.7 169.9 -85.1 151.3 3.8 -11.2 -13.2 109 116 A R + 0 0 13 1,-0.1 2,-0.3 -2,-0.1 94,-0.1 0.438 65.3 15.4-107.8 4.7 1.0 -13.1 -15.0 110 117 A N S > S- 0 0 6 90,-0.1 4,-1.8 91,-0.1 90,-0.1 -0.953 85.9 -91.2-163.0 170.8 2.8 -13.3 -18.5 111 118 A V H > S+ 0 0 71 88,-0.4 4,-1.6 -2,-0.3 5,-0.1 0.832 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2,-0.2 -1,-0.2 0.882 107.3 47.3 -66.2 -42.6 13.9 -22.8 5.1 232 239 A H H < S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.891 119.5 40.9 -66.9 -37.4 14.7 -21.6 1.6 233 240 A I H < S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.985 125.8 29.8 -74.7 -58.6 14.8 -18.0 2.8 234 241 A D H < 0 0 55 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.609 360.0 360.0 -79.9 -15.9 16.6 -18.3 6.2 235 242 A G < 0 0 112 -4,-1.6 -4,-0.0 -5,-0.3 -3,-0.0 -0.322 360.0 360.0 -82.8 360.0 18.7 -21.3 5.2 236 !* 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 0.0 237 3 B E 0 0 132 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -17.9 27.2 -13.7 34.9 238 4 B N >> + 0 0 83 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.902 360.0 49.1 -69.0 -42.3 29.3 -11.3 32.7 239 5 B L T 34 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.657 92.5 79.7 -71.0 -17.9 26.2 -9.1 32.0 240 6 B E T 34 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.709 91.2 53.0 -62.1 -23.0 25.5 -9.1 35.8 241 7 B N T <4 S+ 0 0 94 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.945 94.4 87.0 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22.6 252 18 B K H X S+ 0 0 38 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.874 113.5 43.4 -54.0 -42.9 18.3 0.7 21.3 253 19 B R H X S+ 0 0 62 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.859 112.9 51.7 -70.5 -42.5 21.5 0.6 19.2 254 20 B R H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.894 108.5 50.9 -64.4 -41.8 21.0 -3.0 18.2 255 21 B Y H X S+ 0 0 69 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.887 106.9 54.7 -59.8 -44.9 17.4 -2.3 17.0 256 22 B A H < S+ 0 0 45 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.847 112.2 44.4 -57.0 -40.2 18.7 0.7 14.9 257 23 B C H >< S+ 0 0 17 -4,-1.4 3,-2.0 2,-0.2 -2,-0.2 0.926 111.7 50.6 -66.5 -58.4 21.1 -1.7 13.1 258 24 B L H 3< S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.759 106.2 56.9 -56.9 -31.3 18.6 -4.5 12.6 259 25 B S T 3< S+ 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.437 88.4 95.2 -81.3 -3.5 16.1 -2.1 11.0 260 26 B K S < S- 0 0 68 -3,-2.0 215,-0.0 -5,-0.1 -3,-0.0 -0.653 89.5 -94.9 -86.4 146.5 18.8 -1.0 8.4 261 27 B P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.195 38.1-105.1 -61.5 155.0 18.5 -2.9 5.0 262 28 B D - 0 0 17 -162,-0.1 2,-0.3 -4,-0.0 80,-0.2 -0.436 45.0-165.5 -69.7 151.4 20.7 -6.0 4.3 263 29 B G E -i 342 0D 0 78,-1.3 80,-1.9 23,-0.1 2,-0.5 -0.980 27.6-172.8-151.3 134.1 23.6 -5.1 1.9 264 30 B R E +i 343 0D 40 -2,-0.3 106,-3.3 78,-0.2 107,-1.2 -0.925 33.8 161.4-127.4 101.7 26.1 -6.9 -0.3 265 31 B Y E -ij 344 371D 21 78,-1.9 80,-2.4 -2,-0.5 2,-0.4 -0.929 36.3-146.2-129.2 154.3 28.6 -4.4 -1.7 266 32 B I E -ij 345 372D 1 105,-1.1 107,-2.7 -2,-0.3 2,-0.7 -0.904 14.7-148.9-108.5 136.0 32.0 -4.0 -3.3 267 33 B F E -ij 346 373D 3 78,-2.8 80,-0.8 -2,-0.4 2,-0.4 -0.967 24.5-172.1-105.7 108.3 34.1 -0.9 -2.5 268 34 B L E + j 0 374D 6 105,-3.2 107,-3.1 -2,-0.7 2,-0.2 -0.932 28.5 101.0-109.6 132.6 36.1 -0.4 -5.7 269 35 B G - 0 0 6 -2,-0.4 3,-0.1 105,-0.2 107,-0.1 -0.748 69.2 -76.4 160.8 150.9 38.8 2.2 -6.0 270 36 B A > - 0 0 3 105,-0.3 3,-1.6 -2,-0.2 5,-0.3 0.032 67.4 -74.7 -58.0 165.8 42.6 2.6 -5.9 271 37 B P T 3 S+ 0 0 7 0, 0.0 115,-0.2 0, 0.0 -1,-0.2 -0.549 123.4 34.4 -69.3 136.9 44.5 2.4 -2.6 272 38 B G T 3 S+ 0 0 10 -2,-0.2 -2,-0.1 113,-0.1 113,-0.0 0.321 82.3 115.3 100.2 -0.0 44.0 5.6 -0.6 273 39 B S S < S- 0 0 1 -3,-1.6 -3,-0.1 -4,-0.1 -5,-0.0 0.651 90.9-106.2 -69.4 -24.9 40.4 6.1 -1.9 274 40 B G S > S+ 0 0 16 -4,-0.2 4,-2.1 -5,-0.1 5,-0.1 0.639 76.1 136.2 100.4 26.4 38.9 5.7 1.6 275 41 B K H > S+ 0 0 17 -5,-0.3 4,-2.2 2,-0.2 5,-0.1 0.913 75.5 46.2 -67.0 -48.5 37.5 2.1 1.3 276 42 B G H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.949 112.9 51.7 -59.9 -48.4 38.8 1.0 4.7 277 43 B T H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.912 114.3 41.1 -51.4 -54.8 37.5 4.2 6.3 278 44 B Q H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.776 110.8 58.1 -70.1 -29.2 34.0 3.8 4.9 279 45 B S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.886 104.5 51.1 -67.5 -39.2 34.0 -0.0 5.6 280 46 B L H X S+ 0 0 71 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.859 109.2 52.6 -66.4 -34.7 34.6 0.6 9.3 281 47 B N H X S+ 0 0 40 -4,-1.2 4,-2.4 -5,-0.2 3,-0.4 0.952 112.4 42.0 -64.1 -54.2 31.6 3.1 9.2 282 48 B L H X>S+ 0 0 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53,-0.2 55,-0.2 -0.909 17.2-172.9-107.0 113.7 39.4 -6.9 3.6 293 59 B T H > S+ 0 0 6 53,-1.4 4,-2.2 -2,-0.6 5,-0.2 0.878 89.6 57.0 -71.5 -33.7 41.7 -9.1 1.5 294 60 B G H > S+ 0 0 14 52,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.919 109.1 44.9 -58.4 -46.9 44.6 -6.8 2.3 295 61 B D H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.940 115.2 48.0 -62.7 -47.7 44.1 -7.5 6.0 296 62 B L H X S+ 0 0 27 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.736 115.5 45.0 -62.6 -32.3 43.7 -11.2 5.5 297 63 B L H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.839 108.9 53.3 -84.2 -36.1 46.8 -11.4 3.2 298 64 B R H < S+ 0 0 63 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.860 111.4 49.6 -61.4 -36.6 49.1 -9.2 5.5 299 65 B E H >< S+ 0 0 135 -4,-1.8 3,-0.8 2,-0.2 4,-0.3 0.879 111.5 46.9 -67.7 -44.4 48.0 -11.7 8.2 300 66 B A H >< S+ 0 0 20 -4,-1.2 3,-1.0 1,-0.2 -2,-0.2 0.821 107.9 58.5 -66.6 -32.8 49.0 -14.7 5.9 301 67 B A T 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.590 96.1 62.8 -72.8 -14.5 52.3 -12.8 5.1 302 68 B E T < S+ 0 0 75 -3,-0.8 -1,-0.2 -4,-0.4 2,-0.2 0.583 79.4 107.6 -84.6 -15.5 53.2 -12.9 8.9 303 69 B K S < S- 0 0 45 -3,-1.0 2,-2.0 -4,-0.3 5,-0.1 -0.515 76.5-127.7 -71.6 130.3 53.3 -16.7 8.9 304 70 B K S S+ 0 0 204 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.402 74.0 101.8 -79.9 59.6 56.9 -18.2 9.1 305 71 B T S > S- 0 0 69 -2,-2.0 4,-2.0 1,-0.1 5,-0.2 -0.908 88.6-102.9-136.5 165.4 56.5 -20.4 6.0 306 72 B E H > S+ 0 0 173 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.885 125.7 51.6 -53.8 -44.7 57.5 -20.5 2.3 307 73 B L H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 107.9 54.4 -61.5 -37.9 53.8 -19.4 1.5 308 74 B G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 108.6 45.1 -62.4 -49.4 54.3 -16.6 4.0 309 75 B L H X S+ 0 0 129 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.875 111.2 55.4 -61.4 -41.6 57.5 -15.2 2.3 310 76 B K H X S+ 0 0 121 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.927 113.1 40.4 -57.9 -49.3 55.8 -15.5 -1.1 311 77 B I H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.896 114.5 52.5 -67.2 -45.2 52.8 -13.4 0.0 312 78 B K H X S+ 0 0 94 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 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-73.9 -71.4 159.5 13.7 -29.4 55.8 812 228 D P >> - 0 0 98 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.248 42.8-115.9 -58.7 147.4 15.2 -29.7 52.2 813 229 D A H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.843 115.4 50.5 -49.5 -45.7 17.1 -26.6 50.9 814 230 D N H 3> S+ 0 0 86 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.836 113.4 46.6 -65.1 -34.4 14.5 -26.0 48.1 815 231 D D H <> S+ 0 0 51 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.909 112.8 48.9 -72.7 -43.9 11.6 -26.2 50.6 816 232 D L H X S+ 0 0 29 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.839 106.9 57.1 -63.7 -36.6 13.4 -23.9 53.1 817 233 D E H X S+ 0 0 39 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.935 108.9 45.3 -59.0 -48.7 14.2 -21.4 50.2 818 234 D K H X S+ 0 0 57 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.850 111.0 53.6 -63.8 -39.2 10.4 -21.1 49.5 819 235 D K H X S+ 0 0 90 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.885 111.9 44.5 -63.6 -42.0 9.6 -20.8 53.3 820 236 D I H >X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 3,-0.5 0.948 114.5 48.7 -65.9 -49.7 12.1 -17.8 53.6 821 237 D S H 3X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.800 106.4 59.5 -58.0 -35.9 10.7 -16.2 50.3 822 238 D Q H 3X S+ 0 0 143 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.873 106.7 45.1 -64.1 -40.2 7.2 -16.6 51.7 823 239 D H H << S+ 0 0 86 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.900 119.4 41.9 -71.0 -40.2 7.9 -14.5 54.8 824 240 D I H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.1 0.992 125.9 30.6 -65.6 -66.2 9.7 -11.8 52.7 825 241 D D H < 0 0 69 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.798 360.0 360.0 -66.2 -39.4 7.3 -11.6 49.6 826 242 D G < 0 0 85 -4,-1.6 -3,-0.1 -5,-0.5 -4,-0.1 0.977 360.0 360.0 70.5 360.0 4.1 -12.5 51.6