==== 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 2YOH . 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 . 398 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 0 0 0 1 3 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A D 0 0 171 0, 0.0 194,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 167.7 -10.2 -9.3 14.6 2 5 A K - 0 0 90 192,-0.1 2,-0.6 1,-0.1 192,-0.2 -0.355 360.0-116.0 -85.6 149.4 -9.4 -9.7 10.9 3 6 A K B +A 193 0A 2 190,-3.1 190,-2.0 1,-0.2 84,-0.2 -0.663 35.4 172.3 -76.7 116.8 -7.6 -7.6 8.4 4 7 A K + 0 0 109 82,-1.8 83,-0.2 -2,-0.6 -1,-0.2 0.849 56.9 63.2 -96.5 -43.5 -10.2 -6.5 5.8 5 8 A G S S- 0 0 0 81,-2.7 2,-0.3 85,-0.2 86,-0.2 -0.254 83.9-118.9 -73.2 168.7 -8.2 -4.0 3.7 6 9 A K - 0 0 3 83,-0.2 86,-2.6 186,-0.0 2,-0.5 -0.842 15.3-143.8-115.7 154.6 -5.1 -5.0 1.7 7 10 A F E -b 92 0B 0 -2,-0.3 120,-2.5 84,-0.2 121,-1.3 -0.972 15.9-175.1-129.2 114.1 -1.7 -3.6 2.2 8 11 A I E -bc 93 128B 0 84,-3.2 86,-3.0 -2,-0.5 2,-0.4 -0.955 4.9-164.9-118.1 122.5 0.6 -3.1 -0.9 9 12 A V E -bc 94 129B 0 119,-2.5 121,-2.7 -2,-0.5 2,-0.4 -0.921 7.2-150.1-110.2 136.2 4.2 -2.0 -0.5 10 13 A F E +bc 95 130B 0 84,-2.8 86,-2.7 -2,-0.4 2,-0.3 -0.914 18.7 177.8-100.2 131.5 6.5 -0.6 -3.3 11 14 A E E + c 0 131B 0 119,-2.8 121,-3.1 -2,-0.4 2,-0.2 -0.853 18.1 112.9-123.5 164.2 10.2 -1.1 -3.1 12 15 A G E - c 0 132B 0 -2,-0.3 121,-0.1 119,-0.2 4,-0.1 -0.800 60.6 -60.3 151.7 166.1 13.0 -0.2 -5.4 13 16 A L > - 0 0 5 119,-0.6 3,-1.4 -2,-0.2 5,-0.3 -0.180 62.8 -88.7 -69.5 171.3 16.1 1.9 -5.9 14 17 A D T 3 S+ 0 0 30 1,-0.3 3,-0.4 129,-0.1 2,-0.3 0.867 126.0 40.4 -49.3 -47.2 16.0 5.7 -5.8 15 18 A R T 3 S+ 0 0 208 1,-0.2 -1,-0.3 119,-0.1 -2,-0.1 -0.141 83.2 106.8-101.6 47.7 15.4 6.1 -9.5 16 19 A S S < S- 0 0 8 -3,-1.4 -1,-0.2 -2,-0.3 -2,-0.1 0.501 86.7-108.9-108.2 -3.3 12.9 3.3 -10.0 17 20 A G > + 0 0 33 -3,-0.4 4,-2.3 -4,-0.1 5,-0.2 0.771 64.6 144.3 85.4 30.6 9.5 5.1 -10.4 18 21 A K H > S+ 0 0 10 -5,-0.3 4,-3.0 -4,-0.2 5,-0.3 0.880 70.9 51.3 -67.5 -40.2 7.8 4.2 -7.2 19 22 A S H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 113.2 46.1 -68.9 -37.2 6.0 7.5 -6.7 20 23 A T H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.959 118.7 40.9 -65.0 -50.4 4.6 7.3 -10.3 21 24 A Q H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 115.6 48.9 -67.7 -41.0 3.5 3.6 -9.9 22 25 A S H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.923 112.8 49.4 -66.3 -39.3 2.2 3.9 -6.4 23 26 A K H X S+ 0 0 147 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.898 111.0 49.1 -60.8 -46.5 0.2 7.1 -7.4 24 27 A L H X S+ 0 0 41 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.863 111.8 49.9 -62.3 -37.3 -1.3 5.3 -10.6 25 28 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.914 109.4 50.0 -70.1 -41.2 -2.3 2.3 -8.4 26 29 A V H X S+ 0 0 13 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.955 112.2 48.4 -58.4 -49.1 -4.0 4.6 -5.8 27 30 A E H X S+ 0 0 110 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 111.9 50.3 -52.2 -50.3 -5.9 6.3 -8.7 28 31 A Y H X S+ 0 0 63 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.932 111.7 46.7 -58.6 -49.1 -6.9 2.9 -10.1 29 32 A L H ><>S+ 0 0 4 -4,-3.1 5,-2.7 1,-0.2 3,-1.0 0.938 111.5 50.1 -62.3 -45.1 -8.1 1.6 -6.8 30 33 A K H ><5S+ 0 0 123 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.896 108.6 54.3 -60.7 -37.0 -10.1 4.8 -6.0 31 34 A N H 3<5S+ 0 0 126 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.659 105.3 53.0 -70.1 -20.6 -11.7 4.5 -9.5 32 35 A N T <<5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 -0.107 124.7-107.5 -98.3 32.1 -12.8 1.0 -8.6 33 36 A N T < 5S+ 0 0 159 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.724 71.6 145.7 42.7 32.9 -14.4 2.4 -5.5 34 37 A V < - 0 0 37 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.848 50.6-129.1 -89.7 130.2 -11.7 0.9 -3.1 35 38 A E + 0 0 132 -2,-0.5 56,-3.1 54,-0.3 2,-0.4 -0.689 40.3 176.5 -77.4 132.9 -11.1 3.2 -0.1 36 39 A V E -d 91 0B 15 -2,-0.4 2,-0.5 54,-0.2 56,-0.2 -0.999 29.1-154.7-148.8 135.7 -7.3 3.7 0.0 37 40 A K E -d 92 0B 77 54,-2.6 56,-2.4 -2,-0.4 2,-0.6 -0.970 16.4-146.3-108.2 130.9 -4.7 5.6 2.0 38 41 A H E +d 93 0B 63 -2,-0.5 2,-0.3 54,-0.2 56,-0.2 -0.833 25.7 171.8 -95.5 121.2 -1.3 6.4 0.4 39 42 A L E -d 94 0B 11 54,-2.7 56,-2.4 -2,-0.6 2,-0.3 -0.842 11.0-166.8-122.5 159.2 1.6 6.4 2.8 40 43 A Y E -d 95 0B 134 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.997 19.2-104.3-144.4 155.6 5.4 6.7 2.3 41 44 A F S S+ 0 0 7 54,-2.6 2,-0.2 -2,-0.3 30,-0.0 -0.985 93.4 30.8-127.3 144.8 8.5 6.1 4.4 42 45 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.649 85.0 166.1 -68.9 164.8 10.4 7.9 5.6 43 46 A N - 0 0 14 -2,-0.2 3,-0.3 -4,-0.0 9,-0.2 -0.930 44.7-121.1-140.9 171.0 7.9 10.7 6.4 44 47 A R + 0 0 148 -2,-0.3 6,-0.1 1,-0.2 -3,-0.0 -0.089 62.5 130.1-105.0 35.1 7.8 13.8 8.6 45 48 A E S S+ 0 0 135 29,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.900 80.4 0.8 -56.4 -39.2 4.8 12.9 10.7 46 49 A T S > S- 0 0 49 -3,-0.3 4,-1.3 28,-0.0 3,-0.5 -0.686 96.7 -73.4-134.4-171.2 6.7 13.7 13.9 47 50 A G H > S+ 0 0 26 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.730 121.6 68.5 -60.1 -24.4 10.1 15.0 15.1 48 51 A I H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.968 101.3 43.8 -60.6 -52.3 11.5 11.6 14.2 49 52 A G H > S+ 0 0 1 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.790 106.6 62.0 -63.9 -27.7 11.1 12.2 10.4 50 53 A Q H X S+ 0 0 87 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.874 105.2 47.3 -64.1 -36.6 12.4 15.7 10.8 51 54 A I H X S+ 0 0 23 -4,-1.5 4,-2.0 -3,-0.5 -2,-0.2 0.921 109.3 53.5 -68.6 -41.4 15.7 14.2 12.0 52 55 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.911 103.7 57.0 -58.4 -42.4 15.7 11.8 9.1 53 56 A S H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.918 106.6 48.9 -56.8 -43.1 15.3 14.7 6.6 54 57 A K H <>S+ 0 0 94 -4,-1.4 5,-2.7 1,-0.2 6,-1.0 0.889 110.5 52.0 -64.5 -37.5 18.5 16.3 8.0 55 58 A Y H ><5S+ 0 0 9 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.936 108.6 49.3 -60.6 -46.6 20.3 13.0 7.6 56 59 A L H 3<5S+ 0 0 25 -4,-2.4 86,-2.0 1,-0.3 -1,-0.2 0.835 112.0 48.5 -65.1 -34.3 19.3 12.6 4.0 57 60 A K T 3<5S- 0 0 136 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.366 112.5-120.6 -85.5 2.8 20.4 16.1 3.2 58 61 A M T < 5S+ 0 0 104 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.748 75.6 129.8 62.0 27.3 23.7 15.5 5.0 59 62 A E S - 0 0 26 -2,-0.4 4,-2.1 1,-0.1 5,-0.3 -0.321 35.0-112.3 -66.5 153.8 26.1 7.0 13.3 64 67 A N H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.900 116.2 44.6 -54.2 -47.5 24.9 4.1 11.2 65 68 A E H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 109.5 56.4 -70.4 -36.0 22.9 2.5 14.1 66 69 A T H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.965 113.0 39.2 -62.8 -51.5 21.3 5.7 15.2 67 70 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.906 111.9 57.6 -66.9 -38.3 19.8 6.5 11.8 68 71 A H H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.914 107.7 47.7 -59.2 -43.1 18.8 2.9 11.2 69 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.841 108.2 54.6 -69.6 -32.2 16.8 2.9 14.4 70 73 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.910 104.9 53.9 -64.7 -39.0 15.1 6.2 13.5 71 74 A F H X S+ 0 0 26 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.932 112.6 44.0 -59.3 -41.4 13.9 4.8 10.2 72 75 A S H >X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.6 0.939 110.2 53.9 -68.8 -45.1 12.4 1.8 12.0 73 76 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.852 102.6 60.0 -57.2 -35.5 10.8 4.0 14.8 74 77 A N H 3< S+ 0 0 0 -4,-2.1 4,-0.2 2,-0.2 -1,-0.2 0.868 108.1 44.9 -61.0 -37.9 9.1 6.1 11.9 75 78 A R H X< S+ 0 0 3 -4,-1.1 3,-2.1 -3,-0.6 4,-0.4 0.952 110.3 53.4 -69.7 -44.2 7.3 2.9 10.8 76 79 A W H >< S+ 0 0 13 -4,-2.1 3,-1.4 1,-0.3 4,-0.5 0.847 100.6 60.8 -63.3 -33.6 6.3 1.9 14.4 77 80 A E T 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 4,-0.2 0.646 106.6 48.6 -70.5 -10.9 4.7 5.3 14.9 78 81 A H T <> S+ 0 0 5 -3,-2.1 4,-3.3 -4,-0.2 -1,-0.3 0.407 84.2 90.6-101.7 -1.7 2.4 4.4 12.0 79 82 A M H <> S+ 0 0 16 -3,-1.4 4,-2.9 -4,-0.4 5,-0.2 0.877 84.3 53.4 -66.5 -36.5 1.3 0.9 13.1 80 83 A N H > S+ 0 0 112 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.949 115.0 42.0 -60.2 -45.2 -1.7 2.1 15.1 81 84 A E H > S+ 0 0 71 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 115.3 48.2 -68.9 -46.3 -2.9 4.0 12.0 82 85 A I H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.927 112.8 49.4 -64.4 -41.5 -2.1 1.2 9.5 83 86 A K H X S+ 0 0 110 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.948 112.3 48.7 -58.2 -44.3 -3.8 -1.4 11.8 84 87 A S H X S+ 0 0 65 -4,-2.3 4,-1.9 -5,-0.2 6,-0.2 0.906 111.9 47.5 -64.8 -45.1 -7.0 0.8 12.1 85 88 A L H X>S+ 0 0 25 -4,-2.4 5,-2.5 2,-0.2 4,-0.6 0.955 113.6 47.2 -60.1 -49.3 -7.3 1.5 8.4 86 89 A L H ><5S+ 0 0 0 -4,-2.4 -81,-2.7 1,-0.2 -82,-1.8 0.864 110.0 54.3 -66.5 -36.8 -6.8 -2.2 7.5 87 90 A L H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.890 107.6 49.7 -60.2 -40.8 -9.4 -3.2 10.1 88 91 A K H 3<5S- 0 0 154 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.538 123.1-103.7 -74.2 -9.8 -12.0 -0.9 8.7 89 92 A G T <<5S+ 0 0 25 -3,-0.8 2,-0.4 -4,-0.6 -54,-0.3 0.515 76.2 138.6 93.3 6.6 -11.5 -2.2 5.1 90 93 A I < - 0 0 22 -5,-2.5 -1,-0.3 -6,-0.2 -54,-0.2 -0.725 49.8-130.1 -84.8 129.0 -9.4 0.7 3.9 91 94 A W E - d 0 36B 46 -56,-3.1 -54,-2.6 -2,-0.4 2,-0.5 -0.453 12.4-143.7 -76.9 153.6 -6.5 -0.3 1.8 92 95 A V E -bd 7 37B 0 -86,-2.6 -84,-3.2 -56,-0.2 2,-0.5 -0.980 12.6-173.5-118.2 122.3 -2.9 0.9 2.3 93 96 A V E -bd 8 38B 0 -56,-2.4 -54,-2.7 -2,-0.5 2,-0.4 -0.967 16.7-171.0-110.4 126.8 -0.5 1.6 -0.5 94 97 A C E -bd 9 39B 0 -86,-3.0 -84,-2.8 -2,-0.5 2,-0.9 -0.972 24.3-144.5-132.2 126.1 2.9 2.4 0.8 95 98 A D E S-bd 10 40B 24 -56,-2.4 -54,-2.6 -2,-0.4 -84,-0.1 -0.800 79.9 -9.4 -90.7 105.1 6.1 3.7 -0.9 96 99 A R + 0 0 38 -86,-2.7 2,-0.2 -2,-0.9 -85,-0.1 0.387 68.9 172.1 79.7 146.5 9.0 2.0 1.0 97 100 A Y >> - 0 0 0 -88,-0.1 4,-1.4 -57,-0.1 3,-0.7 -0.645 57.5 -38.6-153.4-150.7 8.9 -0.1 4.1 98 101 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.792 125.4 65.9 -59.3 -28.3 11.1 -2.3 6.3 99 102 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 101.5 48.9 -66.3 -37.7 12.7 -3.8 3.1 100 103 A S H <>>S+ 0 0 9 -3,-0.7 4,-2.7 1,-0.2 5,-0.5 0.904 106.9 57.8 -59.4 -45.7 14.2 -0.4 2.3 101 104 A G H X5S+ 0 0 5 -4,-1.4 4,-1.5 1,-0.2 5,-0.2 0.915 114.1 36.7 -44.7 -51.4 15.4 -0.3 6.0 102 105 A V H X5S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.914 118.4 47.0 -74.7 -46.6 17.4 -3.5 5.6 103 106 A A H X5S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.917 116.4 42.9 -68.0 -44.6 18.6 -3.1 2.0 104 107 A Y H X>S+ 0 0 21 -4,-2.7 4,-2.7 -5,-0.2 5,-0.9 0.941 118.6 43.5 -69.6 -44.6 19.9 0.5 2.4 105 108 A S H X - 0 0 100 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.401 31.1-133.7 -65.1 134.9 24.6 -6.7 9.6 113 116 A K H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.896 103.3 47.6 -60.5 -42.1 21.4 -7.9 8.0 114 117 A T H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 112.0 49.9 -67.5 -43.5 19.9 -9.6 11.0 115 118 A W H 4 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.924 112.1 50.3 -58.6 -42.9 20.7 -6.6 13.3 116 119 A C H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.865 111.8 47.2 -61.9 -38.1 19.0 -4.4 10.7 117 120 A M H >X S+ 0 0 34 -4,-2.1 3,-1.3 -5,-0.2 4,-0.7 0.883 95.0 76.4 -74.9 -33.3 15.9 -6.7 10.5 118 121 A N G >< S+ 0 0 21 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.822 89.1 51.8 -51.7 -48.7 15.4 -7.0 14.3 119 122 A P G 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.827 110.4 51.0 -64.1 -26.1 13.8 -3.6 15.1 120 123 A D G X4 S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.4 78,-0.3 0.514 80.2 119.5 -85.4 -4.8 11.2 -4.0 12.4 121 124 A Q T << S+ 0 0 80 -3,-1.5 78,-0.2 -4,-0.7 3,-0.1 -0.437 74.5 30.3 -59.7 126.0 10.3 -7.5 13.7 122 125 A G T 3 S+ 0 0 27 76,-2.6 -1,-0.3 1,-0.4 77,-0.1 0.235 84.4 132.8 106.1 -11.6 6.6 -7.3 14.6 123 126 A L S < S- 0 0 0 -3,-2.2 75,-2.6 1,-0.1 -1,-0.4 -0.341 73.0 -85.2 -61.0 155.2 5.5 -4.7 12.0 124 127 A I B -F 197 0C 7 73,-0.2 73,-0.3 -3,-0.1 -1,-0.1 -0.383 46.6-129.0 -60.4 134.9 2.3 -5.5 10.0 125 128 A K - 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