==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-OCT-12 2YOF . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR C.HUAQING,J.CARRERO-LERIDA,A.P.G.SILVA,J.L.WHITTINGHAM,J.A.B . 612 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.0 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 . 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 3 0 0 0 0 7 4 2 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 9 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 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 . 0 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 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 3 A D 0 0 182 0, 0.0 87,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.2 -0.6 17.5 29.0 2 4 A D + 0 0 78 2,-0.1 194,-0.3 194,-0.0 2,-0.2 0.336 360.0 123.3-126.9 5.2 1.6 17.2 25.9 3 5 A K - 0 0 81 192,-0.1 2,-0.4 85,-0.1 192,-0.2 -0.484 62.5-116.7 -77.4 142.9 5.3 16.4 26.9 4 6 A K B +A 194 0A 3 190,-2.8 190,-2.1 -2,-0.2 84,-0.2 -0.651 39.1 169.8 -68.0 121.9 7.3 13.4 25.7 5 7 A K + 0 0 76 82,-2.6 83,-0.2 -2,-0.4 -1,-0.2 0.799 53.0 62.5-109.9 -42.3 8.0 11.3 28.8 6 8 A G S S- 0 0 0 81,-2.4 2,-0.3 85,-0.3 86,-0.2 -0.248 84.8-113.2 -74.0 169.0 9.4 8.0 27.5 7 9 A K - 0 0 5 83,-0.2 86,-2.5 120,-0.0 2,-0.5 -0.834 18.1-145.6-109.6 152.1 12.6 7.8 25.5 8 10 A F E -b 93 0B 0 -2,-0.3 120,-2.4 84,-0.2 121,-1.3 -0.964 17.0-176.8-126.7 113.1 12.9 6.8 21.9 9 11 A I E -bc 94 129B 0 84,-2.8 86,-2.5 -2,-0.5 2,-0.4 -0.951 5.7-163.2-115.7 127.1 16.0 4.9 20.8 10 12 A V E -bc 95 130B 0 119,-2.8 121,-3.0 -2,-0.4 2,-0.4 -0.928 6.3-152.8-112.9 138.2 16.6 3.9 17.1 11 13 A F E +bc 96 131B 0 84,-2.5 86,-3.0 -2,-0.4 2,-0.3 -0.925 19.7 174.9-101.3 136.0 19.1 1.2 15.9 12 14 A E E + c 0 132B 0 119,-2.4 121,-2.6 -2,-0.4 2,-0.2 -0.848 16.5 116.0-132.1 163.1 20.5 1.7 12.4 13 15 A G E - c 0 133B 0 -2,-0.3 121,-0.1 119,-0.2 3,-0.1 -0.745 61.6 -64.4 150.1 164.6 23.1 -0.3 10.4 14 16 A L S > S- 0 0 5 119,-0.6 3,-0.9 -2,-0.2 5,-0.3 -0.079 71.5 -74.2 -67.8 173.3 23.6 -2.5 7.4 15 17 A D T 3 S+ 0 0 44 1,-0.3 -1,-0.2 129,-0.1 135,-0.0 -0.363 123.5 18.7 -68.6 153.6 21.9 -5.8 7.1 16 18 A R T 3 S+ 0 0 141 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.909 83.9 127.9 44.2 46.0 23.6 -8.3 9.4 17 19 A S S < S- 0 0 8 -3,-0.9 -1,-0.1 -4,-0.1 -2,-0.1 0.397 87.7 -99.8 -98.0 -1.6 25.3 -5.5 11.5 18 20 A G S > S+ 0 0 30 -4,-0.1 4,-2.5 -5,-0.1 5,-0.2 0.661 76.5 142.7 89.9 20.0 23.9 -7.1 14.8 19 21 A K H > S+ 0 0 22 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.902 73.1 42.4 -59.3 -48.5 20.8 -4.7 15.2 20 22 A S H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.830 113.0 53.8 -76.0 -28.6 18.4 -7.2 16.4 21 23 A T H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.974 116.6 38.7 -61.0 -53.2 20.9 -8.8 18.8 22 24 A Q H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.862 115.0 51.4 -68.5 -40.3 21.8 -5.5 20.3 23 25 A S H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.910 110.5 49.1 -67.4 -39.0 18.2 -4.1 20.4 24 26 A K H X S+ 0 0 124 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.929 110.9 51.5 -63.3 -43.5 16.9 -7.3 22.1 25 27 A L H X S+ 0 0 45 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.886 111.1 48.1 -59.6 -37.7 19.7 -7.0 24.7 26 28 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 110.8 49.3 -68.9 -44.8 18.8 -3.3 25.3 27 29 A V H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.923 111.6 49.5 -60.0 -47.2 15.1 -4.1 25.7 28 30 A E H X S+ 0 0 114 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.924 111.3 50.2 -55.2 -48.3 15.9 -6.9 28.2 29 31 A Y H X S+ 0 0 65 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.889 112.2 46.5 -58.3 -42.8 18.2 -4.6 30.2 30 32 A L H ><>S+ 0 0 4 -4,-2.4 5,-2.1 2,-0.2 3,-0.6 0.926 111.8 50.6 -66.7 -43.6 15.5 -1.9 30.3 31 33 A K H ><5S+ 0 0 125 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.852 107.0 54.7 -62.8 -37.2 12.8 -4.4 31.4 32 34 A N H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.6 53.5 -67.2 -24.4 15.1 -5.7 34.2 33 35 A N T <<5S- 0 0 92 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.070 122.1-109.8 -95.5 23.2 15.3 -2.1 35.4 34 36 A N T < 5S+ 0 0 154 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.490 70.9 143.3 64.4 6.7 11.4 -1.9 35.5 35 37 A V < - 0 0 39 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.628 52.2-129.4 -75.8 126.2 11.3 0.5 32.5 36 38 A E + 0 0 112 -2,-0.4 56,-2.8 54,-0.2 2,-0.3 -0.688 40.1 172.2 -76.8 131.1 8.2 -0.2 30.3 37 39 A V E -d 92 0B 10 -2,-0.4 2,-0.4 54,-0.2 56,-0.2 -1.000 28.1-151.2-146.9 137.1 9.4 -0.5 26.7 38 40 A K E -d 93 0B 88 54,-2.4 56,-2.7 -2,-0.3 2,-0.6 -0.924 14.3-145.9-108.2 135.4 8.0 -1.5 23.4 39 41 A H E +d 94 0B 43 -2,-0.4 2,-0.3 54,-0.2 56,-0.2 -0.909 24.8 180.0-104.4 113.8 10.3 -3.0 20.7 40 42 A L E -d 95 0B 33 54,-3.1 56,-2.6 -2,-0.6 2,-0.3 -0.769 11.4-157.6-116.1 160.9 9.3 -2.0 17.3 41 43 A Y E -d 96 0B 106 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.992 18.3-112.6-138.7 138.5 10.8 -2.8 13.8 42 44 A F S S+ 0 0 10 54,-2.8 2,-0.2 -2,-0.3 56,-0.0 -0.981 94.9 38.9-120.1 140.0 10.6 -1.1 10.4 43 45 A P S S- 0 0 20 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.575 77.6-153.4 -69.0 151.7 9.3 -2.0 7.9 44 46 A N > - 0 0 42 -2,-0.2 3,-0.9 1,-0.1 6,-0.2 -0.871 10.3-169.3 -90.3 105.3 6.3 -3.4 9.7 45 47 A R T 3 S+ 0 0 93 -2,-0.9 9,-0.2 1,-0.2 -1,-0.1 0.470 71.1 73.9 -78.4 -3.2 5.4 -6.1 7.1 46 48 A E T 3 S+ 0 0 160 4,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.714 77.6 85.3 -83.9 -25.8 2.0 -6.9 8.8 47 49 A T S <> S- 0 0 26 -3,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.290 95.2-104.2 -74.7 165.3 0.1 -3.8 7.7 48 50 A G H > S+ 0 0 52 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.939 128.0 41.4 -49.4 -49.4 -1.7 -3.4 4.3 49 51 A I H >> S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 3,-0.6 0.922 112.6 53.8 -65.0 -44.3 1.2 -1.3 3.2 50 52 A G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.809 101.9 59.7 -62.6 -29.9 3.8 -3.5 4.9 51 53 A Q H 3X S+ 0 0 111 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.850 106.9 46.2 -69.9 -30.7 2.5 -6.6 3.0 52 54 A I H S+ 0 0 105 -4,-1.6 5,-2.8 1,-0.2 6,-1.1 0.907 111.0 51.5 -57.1 -41.0 6.4 -8.6 -1.7 56 58 A Y H ><5S+ 0 0 8 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.938 110.0 47.5 -61.1 -49.1 8.9 -6.1 -3.0 57 59 A L H 3<5S+ 0 0 6 -4,-2.7 86,-2.1 1,-0.3 -1,-0.2 0.844 115.2 44.6 -64.8 -35.6 11.7 -7.3 -0.7 58 60 A K T 3<5S- 0 0 100 -4,-2.1 -1,-0.3 84,-0.2 -2,-0.2 0.387 113.0-118.9 -87.3 1.5 11.1 -11.0 -1.5 59 61 A M T < 5S+ 0 0 107 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.806 76.1 131.0 60.0 33.9 10.9 -10.1 -5.3 60 62 A E S - 0 0 61 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.307 39.1-108.1 -72.5 159.1 9.6 1.5 -9.3 65 67 A N H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.881 117.2 43.7 -58.0 -45.9 12.2 3.2 -7.1 66 68 A E H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 110.5 55.9 -68.3 -35.6 9.9 6.2 -6.0 67 69 A T H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.956 112.1 40.3 -63.5 -51.8 6.9 4.0 -5.4 68 70 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.900 113.0 56.3 -67.6 -36.9 8.7 1.6 -2.9 69 71 A H H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.934 109.0 45.7 -57.2 -49.8 10.5 4.6 -1.3 70 72 A L H X S+ 0 0 78 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.861 109.6 55.3 -63.5 -36.2 7.2 6.3 -0.5 71 73 A L H X S+ 0 0 36 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 105.7 51.9 -62.8 -42.0 5.7 3.0 0.8 72 74 A F H X S+ 0 0 25 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.892 113.2 45.5 -60.5 -40.6 8.5 2.7 3.3 73 75 A S H >X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 3,-0.5 0.931 111.4 50.0 -67.0 -45.1 7.8 6.3 4.5 74 76 A A H 3X S+ 0 0 37 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.829 104.5 61.0 -59.5 -34.7 4.0 5.8 4.7 75 77 A N H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.854 107.3 44.7 -64.2 -34.1 4.7 2.6 6.7 76 78 A R H X< S+ 0 0 5 -4,-1.1 3,-2.0 -3,-0.5 4,-0.4 0.942 109.9 54.5 -73.1 -45.4 6.5 4.8 9.4 77 79 A W H >< S+ 0 0 104 -4,-2.2 3,-1.4 1,-0.3 4,-0.5 0.856 98.9 61.8 -55.7 -35.6 3.7 7.5 9.3 78 80 A E T 3< S+ 0 0 79 -4,-2.2 -1,-0.3 1,-0.3 4,-0.2 0.601 106.9 47.8 -71.5 -6.8 1.0 4.8 10.1 79 81 A H T <> S+ 0 0 13 -3,-2.0 4,-2.5 -4,-0.2 -1,-0.3 0.415 85.0 91.1-105.2 -2.9 2.9 4.2 13.4 80 82 A M H <> S+ 0 0 15 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.874 83.2 52.0 -66.4 -39.6 3.2 7.8 14.5 81 83 A N H > S+ 0 0 136 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.934 114.3 44.5 -62.4 -43.9 -0.0 8.0 16.5 82 84 A E H > S+ 0 0 95 2,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.893 113.6 48.0 -68.6 -38.5 0.9 4.9 18.4 83 85 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.913 112.5 50.5 -68.1 -42.0 4.5 5.9 19.1 84 86 A K H X S+ 0 0 98 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.936 109.8 50.1 -58.1 -52.1 3.4 9.3 20.2 85 87 A S H X S+ 0 0 68 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.877 111.4 48.8 -54.6 -43.5 0.8 7.7 22.6 86 88 A L H X>S+ 0 0 28 -4,-2.2 5,-2.2 2,-0.2 4,-1.0 0.970 114.6 44.3 -58.6 -55.4 3.5 5.4 24.1 87 89 A L H <5S+ 0 0 0 -4,-2.6 -82,-2.6 1,-0.2 -81,-2.4 0.824 108.2 57.8 -60.0 -39.8 6.0 8.2 24.6 88 90 A L H <5S+ 0 0 40 -4,-2.8 -1,-0.2 -84,-0.2 -2,-0.2 0.840 108.7 47.3 -58.1 -35.6 3.3 10.6 26.0 89 91 A K H <5S- 0 0 163 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.674 123.5-102.6 -79.0 -22.0 2.6 8.0 28.8 90 92 A G T <5S+ 0 0 30 -4,-1.0 2,-0.3 1,-0.4 -83,-0.2 0.398 75.4 138.4 109.5 4.2 6.3 7.4 29.7 91 93 A I < - 0 0 7 -5,-2.2 -1,-0.4 -6,-0.2 -85,-0.3 -0.637 49.4-130.8 -79.3 134.0 6.7 4.1 27.9 92 94 A W E - d 0 37B 44 -56,-2.8 -54,-2.4 -2,-0.3 2,-0.4 -0.486 13.1-147.8 -81.2 157.3 10.0 3.9 26.0 93 95 A V E -bd 8 38B 0 -86,-2.5 -84,-2.8 -56,-0.2 2,-0.5 -0.994 10.3-171.4-126.8 124.2 10.3 2.8 22.4 94 96 A V E -bd 9 39B 0 -56,-2.7 -54,-3.1 -2,-0.4 2,-0.4 -0.985 18.3-171.1-109.9 127.9 13.3 0.9 21.0 95 97 A C E -bd 10 40B 0 -86,-2.5 -84,-2.5 -2,-0.5 2,-0.8 -0.976 22.7-142.5-131.6 122.8 13.0 0.7 17.2 96 98 A D E S-bd 11 41B 7 -56,-2.6 -54,-2.8 -2,-0.4 -84,-0.2 -0.769 78.7 -6.7 -85.9 107.4 15.0 -1.3 14.7 97 99 A R + 0 0 29 -86,-3.0 2,-0.2 -2,-0.8 -85,-0.1 0.446 69.2 170.3 79.5 145.4 15.4 0.9 11.6 98 100 A Y >> - 0 0 0 -88,-0.1 4,-1.4 -57,-0.1 3,-0.5 -0.622 58.1 -39.4-154.8-148.3 13.8 4.2 10.9 99 101 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.773 126.2 64.6 -64.7 -29.3 13.9 7.1 8.5 100 102 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 102.7 49.3 -61.1 -43.1 17.7 7.0 8.3 101 103 A S H <> S+ 0 0 10 -3,-0.5 4,-2.7 2,-0.2 5,-0.4 0.915 107.0 56.5 -57.1 -45.6 17.4 3.5 6.7 102 104 A G H X S+ 0 0 6 -4,-1.4 4,-1.8 1,-0.2 5,-0.2 0.912 114.1 38.3 -54.6 -44.8 14.8 4.9 4.2 103 105 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.917 117.7 46.6 -73.2 -49.7 17.3 7.6 3.0 104 106 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.3 0.884 116.8 44.7 -62.9 -41.5 20.5 5.5 3.1 105 107 A Y H X>S+ 0 0 17 -4,-2.7 4,-3.0 -5,-0.2 5,-0.7 0.938 117.1 42.1 -71.3 -48.7 18.9 2.5 1.3 106 108 A S H X5S+ 0 0 2 -4,-1.8 6,-1.9 -5,-0.4 4,-1.1 0.891 120.5 41.4 -68.1 -42.3 17.0 4.4 -1.4 107 109 A S H X5S+ 0 0 7 -4,-2.6 4,-0.6 4,-0.2 -2,-0.2 0.915 123.7 40.6 -70.4 -39.3 19.9 6.8 -2.2 108 110 A G H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -5,-0.4 -3,-0.2 0.953 128.4 25.2 -72.3 -54.5 22.5 4.0 -2.0 109 111 A A H <5S+ 0 0 22 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.825 134.4 30.9 -83.3 -29.8 20.7 1.1 -3.7 110 112 A L H < - 0 0 102 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.400 30.9-133.3 -59.8 133.1 18.3 12.1 -4.7 114 116 A K H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.881 103.7 47.3 -59.8 -43.4 19.0 12.5 -1.0 115 117 A T H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 111.5 50.6 -66.3 -47.3 16.8 15.5 -0.5 116 118 A W H 4 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.892 111.7 50.1 -52.7 -42.5 13.9 13.9 -2.4 117 119 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.857 111.5 47.4 -64.6 -39.0 14.3 10.8 -0.1 118 120 A M H >X S+ 0 0 34 -4,-1.9 3,-1.0 1,-0.2 4,-0.6 0.858 94.7 76.6 -71.6 -36.1 14.3 12.8 3.1 119 121 A N G >< S+ 0 0 87 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.800 89.8 51.3 -51.3 -49.0 11.2 15.0 2.3 120 122 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.825 110.2 51.0 -64.1 -28.2 8.4 12.4 3.0 121 123 A D G X4 S+ 0 0 0 -3,-1.0 3,-2.2 -4,-0.4 78,-0.3 0.533 80.0 117.9 -81.4 -4.6 9.9 11.6 6.4 122 124 A Q T << S+ 0 0 124 -3,-1.3 78,-0.2 -4,-0.6 3,-0.1 -0.469 75.9 31.5 -64.3 127.7 10.0 15.3 7.4 123 125 A G T 3 S+ 0 0 27 76,-2.5 -1,-0.3 1,-0.4 77,-0.1 0.207 84.5 131.5 104.9 -11.7 7.7 15.6 10.5 124 126 A L S < S- 0 0 0 -3,-2.2 75,-2.9 1,-0.1 -1,-0.4 -0.379 74.0 -85.3 -64.8 152.5 8.2 12.1 11.9 125 127 A I B -F 198 0C 7 73,-0.2 73,-0.3 -3,-0.1 -1,-0.1 -0.351 46.7-127.8 -56.9 133.5 8.9 12.0 15.7 126 128 A K - 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0 0 82 -3,-2.2 3,-0.6 1,-0.1 -3,-0.1 -0.703 68.8-131.9 -91.7 149.3 75.2 51.7 19.2 579 173 C D T 3 S+ 0 0 138 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.798 108.1 53.1 -75.2 -27.8 75.7 51.6 15.4 580 174 C Y T 3 S+ 0 0 18 -43,-0.1 -42,-3.0 2,-0.0 2,-0.6 0.561 93.2 94.7 -77.1 -11.6 72.5 49.6 14.7 581 175 C W E < -q 538 0H 17 -3,-0.6 2,-0.6 -6,-0.2 -42,-0.2 -0.764 55.4-173.9 -90.7 117.9 70.7 52.3 16.8 582 176 C I E -q 539 0H 32 -44,-2.9 -42,-2.6 -2,-0.6 2,-0.2 -0.943 15.4-144.2-115.6 110.6 69.1 55.1 14.7 583 177 C N E -q 540 0H 90 -2,-0.6 2,-0.4 -44,-0.2 -42,-0.2 -0.501 17.5-171.0 -70.9 135.1 67.5 58.0 16.7 584 178 C I E -q 541 0H 10 -44,-2.4 -42,-2.5 -2,-0.2 2,-1.0 -0.984 26.4-128.8-132.4 123.9 64.4 59.5 15.2 585 179 C D E > -q 542 0H 65 -2,-0.4 3,-0.8 -44,-0.2 -42,-0.2 -0.588 28.4-178.2 -69.3 104.0 62.6 62.7 16.3 586 180 C A T 3 + 0 0 5 -44,-2.1 -1,-0.2 -2,-1.0 -43,-0.1 0.225 66.9 80.1 -95.1 13.5 59.1 61.3 16.7 587 181 C T T 3 S+ 0 0 63 -45,-0.4 -1,-0.2 2,-0.0 3,-0.1 0.529 81.0 89.4 -88.6 -9.7 57.5 64.6 17.7 588 182 C R S < S- 0 0 83 -3,-0.8 5,-0.0 1,-0.2 0, 0.0 -0.102 96.9 -55.9 -77.6-180.0 57.5 65.6 14.0 589 183 C K > - 0 0 148 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.273 46.2-122.1 -58.9 141.9 54.8 65.0 11.4 590 184 C I H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.902 115.0 50.4 -49.3 -46.2 53.7 61.3 10.9 591 185 C E H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.846 109.9 48.5 -60.8 -41.1 54.6 61.7 7.2 592 186 C D H > S+ 0 0 76 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.894 109.4 51.2 -71.3 -44.7 58.1 63.1 7.9 593 187 C I H X S+ 0 0 7 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.948 111.6 50.1 -52.7 -50.1 59.0 60.5 10.5 594 188 C H H X S+ 0 0 29 -4,-1.9 4,-2.6 -5,-0.2 3,-0.3 0.894 107.3 51.8 -58.3 -46.1 58.0 57.8 7.9 595 189 C N H X S+ 0 0 75 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.904 108.2 52.4 -59.9 -41.9 60.1 59.3 5.0 596 190 C D H X S+ 0 0 47 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.789 109.6 49.4 -64.3 -30.1 63.2 59.3 7.3 597 191 C I H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 3,-0.2 0.945 109.0 51.5 -72.0 -49.9 62.7 55.7 8.1 598 192 C V H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.930 107.8 53.7 -47.6 -53.4 62.3 54.8 4.4 599 193 C K H < S+ 0 0 123 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.861 112.4 44.3 -51.7 -43.3 65.6 56.6 3.6 600 194 C E H >< S+ 0 0 56 -4,-1.3 3,-1.1 -3,-0.2 4,-0.3 0.882 109.4 55.0 -68.9 -41.4 67.3 54.5 6.2 601 195 C V H >< S+ 0 0 8 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.895 100.3 60.2 -60.9 -42.4 65.7 51.2 5.1 602 196 C T T 3< S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.702 97.7 62.8 -56.5 -21.2 67.0 51.8 1.5 603 197 C K T < S+ 0 0 144 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.588 76.1 110.5 -82.5 -11.2 70.6 51.8 3.1 604 198 C I S < S- 0 0 31 -3,-1.9 2,-0.1 -4,-0.3 -67,-0.0 -0.452 81.4-104.1 -68.0 134.6 70.3 48.1 4.3 605 199 C K - 0 0 154 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.359 28.0-146.6 -63.5 137.6 72.6 45.7 2.4 606 200 C V + 0 0 123 -3,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 0.819 62.0 84.3 -81.7 -34.5 70.6 43.6 -0.0 607 201 C E S S- 0 0 111 1,-0.1 2,-0.1 0, 0.0 -195,-0.0 -0.126 84.9 -87.6 -76.7 163.6 72.4 40.2 -0.1 608 202 C P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 -195,-0.2 -0.357 50.6 174.9 -61.2 148.0 72.1 37.1 2.1 609 203 C E B -M 412 0G 54 -197,-2.2 -197,-2.8 -2,-0.1 2,-0.1 -0.917 36.9 -81.0-146.8 168.4 74.5 37.0 5.1 610 204 C E - 0 0 133 -2,-0.3 -199,-0.1 -199,-0.2 2,-0.1 -0.443 55.8 -99.6 -68.7 147.2 75.2 34.9 8.2 611 205 C F - 0 0 19 -201,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.469 35.6-152.3 -62.8 139.7 72.9 35.4 11.2 612 206 C N - 0 0 87 -78,-0.4 -78,-2.8 -2,-0.1 2,-0.3 -0.815 10.9-150.8-106.2 161.5 74.2 37.7 14.0 613 207 C F B > -R 533 0I 100 -2,-0.3 3,-2.3 -80,-0.3 -80,-0.2 -0.942 26.5 -60.0-135.5 149.0 73.2 37.3 17.6 614 208 C L T 3 S+ 0 0 8 -82,-2.9 -83,-2.2 -2,-0.3 -80,-0.1 -0.411 111.3 21.3 -62.0 142.4 72.8 39.6 20.7 615 209 C W T 3 0 0 62 -85,-0.2 -1,-0.3 1,-0.2 -85,-0.1 -0.777 360.0 360.0-110.3 40.8 74.8 41.1 22.1 616 210 C S < 0 0 103 -3,-2.3 -1,-0.2 0, 0.0 -4,-0.0 -0.098 360.0 360.0 -66.0 360.0 77.4 41.4 19.2