==== 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 2YOG . 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 . 393 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.7 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 36.6 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 3 1 5 1 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 0 147 0, 0.0 192,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -28.4 -10.1 -8.8 14.5 2 5 A K - 0 0 96 190,-0.1 2,-0.6 85,-0.1 190,-0.2 -0.434 360.0-127.1 -84.1 141.2 -9.9 -9.2 10.8 3 6 A K B +A 191 0A 2 188,-3.4 188,-2.2 -2,-0.2 84,-0.2 -0.758 32.5 171.2 -77.9 120.6 -7.9 -7.1 8.3 4 7 A K + 0 0 119 82,-2.1 83,-0.2 -2,-0.6 -1,-0.2 0.801 55.7 65.3-103.5 -41.6 -10.5 -6.0 5.7 5 8 A G S S- 0 0 0 81,-2.6 2,-0.3 85,-0.2 86,-0.2 -0.297 84.4-116.5 -72.3 167.6 -8.5 -3.5 3.6 6 9 A K - 0 0 4 83,-0.2 86,-2.5 184,-0.0 2,-0.5 -0.831 16.6-145.0-110.6 149.6 -5.5 -4.5 1.6 7 10 A F E -b 92 0B 0 -2,-0.3 120,-2.4 84,-0.2 121,-1.3 -0.967 17.4-177.5-119.5 116.3 -1.9 -3.2 2.2 8 11 A I E -bc 93 128B 0 84,-3.0 86,-2.9 -2,-0.5 2,-0.4 -0.956 5.3-165.3-121.5 123.5 0.3 -2.7 -0.8 9 12 A V E -bc 94 129B 0 119,-2.5 121,-2.8 -2,-0.5 2,-0.4 -0.899 7.4-150.9-109.0 141.0 3.9 -1.6 -0.5 10 13 A F E +bc 95 130B 0 84,-2.7 86,-2.9 -2,-0.4 2,-0.3 -0.931 19.6 176.1-107.5 132.1 6.1 -0.2 -3.3 11 14 A E E + c 0 131B 0 119,-2.6 121,-3.1 -2,-0.4 2,-0.2 -0.869 17.9 109.1-124.7 165.8 9.9 -0.8 -3.2 12 15 A G E - c 0 132B 0 -2,-0.3 121,-0.1 119,-0.2 5,-0.1 -0.729 63.6 -53.6 145.3 161.5 12.7 0.0 -5.5 13 16 A L > - 0 0 4 119,-0.6 3,-2.0 -2,-0.2 5,-0.4 -0.227 64.7 -90.6 -64.4 162.6 15.7 2.2 -6.1 14 17 A D T 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.712 124.9 35.6 -45.2 -38.1 15.5 5.9 -5.8 15 18 A R T 3 S+ 0 0 229 1,-0.2 -1,-0.3 119,-0.1 -2,-0.0 0.677 82.7 107.6 -93.9 -10.2 14.7 6.4 -9.6 16 19 A S S < S- 0 0 9 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.416 92.6-105.9 -58.9 -7.1 12.6 3.3 -10.3 17 20 A G > + 0 0 24 -3,-0.3 4,-2.4 -4,-0.2 5,-0.3 0.697 69.2 145.9 89.0 22.4 9.3 5.2 -10.6 18 21 A K H > S+ 0 0 19 -5,-0.4 4,-3.1 1,-0.2 5,-0.3 0.949 72.4 46.5 -48.7 -60.0 7.8 4.1 -7.3 19 22 A S H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 111.5 51.5 -60.0 -42.1 5.9 7.3 -6.7 20 23 A T H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 116.1 40.1 -56.0 -55.7 4.5 7.5 -10.2 21 24 A Q H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.863 114.7 51.5 -65.3 -39.6 3.1 3.9 -10.1 22 25 A S H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.916 111.4 48.8 -63.4 -39.9 1.9 4.2 -6.5 23 26 A K H X S+ 0 0 151 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.910 111.2 50.0 -62.3 -43.8 0.1 7.4 -7.4 24 27 A L H X S+ 0 0 42 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.835 110.6 49.8 -64.8 -36.5 -1.5 5.7 -10.5 25 28 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.927 109.4 50.8 -71.8 -44.8 -2.6 2.8 -8.4 26 29 A V H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.933 110.8 49.3 -52.2 -50.5 -4.2 5.1 -5.8 27 30 A E H X S+ 0 0 111 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.911 111.4 49.8 -56.6 -44.5 -6.0 6.9 -8.5 28 31 A Y H X S+ 0 0 61 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.921 111.6 48.3 -60.5 -46.7 -7.3 3.6 -10.0 29 32 A L H ><>S+ 0 0 5 -4,-2.8 5,-2.2 1,-0.2 3,-0.8 0.953 113.5 46.8 -60.6 -48.3 -8.5 2.4 -6.6 30 33 A K H ><5S+ 0 0 120 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.894 105.5 58.5 -58.6 -44.7 -10.3 5.7 -5.9 31 34 A N H 3<5S+ 0 0 122 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.764 106.8 51.5 -56.0 -27.5 -11.9 5.7 -9.4 32 35 A N T <<5S- 0 0 95 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.127 121.4-108.7 -97.0 18.2 -13.4 2.4 -8.3 33 36 A N T < 5S+ 0 0 154 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.753 71.0 143.8 58.6 28.5 -14.8 3.7 -5.0 34 37 A V < - 0 0 39 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.848 52.3-127.3 -90.4 128.5 -12.2 1.8 -2.9 35 38 A E + 0 0 134 -2,-0.5 56,-2.7 54,-0.3 2,-0.3 -0.650 39.4 174.1 -78.3 134.7 -11.2 4.0 0.1 36 39 A V E -d 91 0B 13 -2,-0.3 2,-0.5 54,-0.2 56,-0.2 -1.000 28.7-153.1-151.0 138.1 -7.4 4.3 0.2 37 40 A K E -d 92 0B 80 54,-2.5 56,-2.4 -2,-0.3 2,-0.6 -0.965 16.0-148.2-109.9 129.1 -4.7 6.1 2.1 38 41 A H E +d 93 0B 64 -2,-0.5 2,-0.3 54,-0.2 56,-0.2 -0.882 25.5 171.7-100.1 117.3 -1.5 6.8 0.4 39 42 A L E -d 94 0B 12 54,-2.8 56,-2.3 -2,-0.6 2,-0.3 -0.799 12.1-166.1-118.6 161.2 1.5 6.8 2.8 40 43 A Y E -d 95 0B 135 -2,-0.3 56,-0.2 54,-0.3 57,-0.1 -0.990 20.5-105.9-146.6 150.0 5.3 7.0 2.3 41 44 A F S S+ 0 0 7 54,-2.5 2,-0.2 -2,-0.3 30,-0.0 -0.972 93.0 33.2-124.2 143.8 8.4 6.4 4.4 42 45 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 29,-0.1 0.685 83.1 163.2 -70.5 162.2 10.3 8.2 5.6 43 46 A N - 0 0 14 -2,-0.2 3,-0.3 -4,-0.0 9,-0.1 -0.913 45.5-121.0-140.2 174.7 8.0 11.0 6.4 44 47 A R + 0 0 133 -2,-0.3 6,-0.1 1,-0.2 -3,-0.0 -0.107 62.4 129.8-111.0 34.2 8.0 14.1 8.6 45 48 A E S S+ 0 0 136 29,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.842 80.6 1.4 -58.4 -36.5 4.9 13.3 10.6 46 49 A T S > S- 0 0 51 -3,-0.3 4,-1.4 0, 0.0 3,-0.4 -0.726 97.0 -75.0-135.2-172.5 6.8 14.0 13.9 47 50 A G H > S+ 0 0 25 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.687 121.8 68.4 -61.1 -20.8 10.2 15.1 15.1 48 51 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.973 102.9 43.7 -62.0 -52.6 11.6 11.6 14.2 49 52 A G H > S+ 0 0 1 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.797 106.5 61.5 -61.4 -34.4 11.1 12.3 10.5 50 53 A Q H X S+ 0 0 83 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.873 105.5 47.1 -59.8 -39.4 12.5 15.8 10.8 51 54 A I H X S+ 0 0 24 -4,-1.6 4,-2.1 -3,-0.5 -2,-0.2 0.915 108.2 55.8 -65.9 -41.7 15.9 14.3 12.0 52 55 A I H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.904 103.4 55.3 -57.1 -40.3 15.8 11.8 9.2 53 56 A S H X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 106.2 50.5 -58.4 -42.9 15.5 14.7 6.7 54 57 A K H <>S+ 0 0 89 -4,-1.4 5,-2.9 1,-0.2 6,-0.9 0.874 109.7 52.2 -65.2 -35.1 18.7 16.3 8.1 55 58 A Y H ><5S+ 0 0 19 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.960 109.6 46.9 -60.5 -52.2 20.5 13.0 7.7 56 59 A L H 3<5S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.789 111.1 52.0 -64.8 -29.6 19.5 12.6 4.1 57 60 A K T 3<5S- 0 0 118 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.516 112.5-124.5 -80.4 -4.6 20.5 16.2 3.4 58 61 A M T < 5S+ 0 0 129 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.808 73.5 130.1 62.3 33.0 23.9 15.3 5.0 59 62 A E < + 0 0 126 -5,-2.9 2,-0.3 -6,-0.2 -4,-0.2 0.721 67.5 39.6 -86.6 -28.7 23.4 18.2 7.5 60 63 A N S S- 0 0 43 -6,-0.9 2,-0.6 -9,-0.1 -2,-0.0 -0.803 77.4-132.6-113.0 161.8 24.1 16.1 10.5 61 64 A S + 0 0 134 -2,-0.3 2,-0.3 -3,-0.0 -6,-0.1 -0.711 38.1 171.3-112.9 81.6 26.7 13.3 11.0 62 65 A M - 0 0 33 -2,-0.6 213,-0.0 1,-0.1 2,-0.0 -0.646 34.2-109.8 -91.3 147.2 24.7 10.5 12.6 63 66 A S > - 0 0 27 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.312 30.1-110.2 -73.5 161.1 26.0 7.0 13.1 64 67 A N H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.882 115.6 46.5 -64.4 -43.7 24.7 4.2 11.1 65 68 A E H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 109.6 54.3 -65.7 -39.4 22.8 2.4 13.9 66 69 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.948 112.6 42.4 -58.1 -54.1 21.2 5.6 15.2 67 70 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.914 110.8 56.7 -61.6 -37.7 19.7 6.5 11.7 68 71 A H H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.911 108.4 47.1 -60.3 -45.7 18.7 2.9 11.1 69 72 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.856 107.6 55.7 -70.0 -30.3 16.6 2.9 14.3 70 73 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.924 106.2 51.7 -66.2 -41.2 15.0 6.3 13.5 71 74 A F H X S+ 0 0 31 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.919 113.0 44.6 -57.7 -41.0 13.8 4.9 10.2 72 75 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-0.4 0.936 110.6 53.9 -71.3 -43.1 12.2 1.9 12.0 73 76 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.890 103.3 57.6 -57.0 -38.7 10.8 4.1 14.7 74 77 A N H < S+ 0 0 0 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.880 108.2 47.1 -61.4 -37.5 9.1 6.2 12.0 75 78 A R H >< S+ 0 0 3 -4,-1.3 3,-1.7 -3,-0.4 4,-0.4 0.944 109.5 52.8 -68.9 -44.2 7.3 3.1 10.8 76 79 A W H >< S+ 0 0 14 -4,-2.5 3,-1.5 1,-0.3 4,-0.5 0.866 100.4 61.1 -58.6 -34.9 6.3 2.1 14.3 77 80 A E T 3< S+ 0 0 41 -4,-2.1 -1,-0.3 1,-0.3 4,-0.3 0.637 106.9 49.0 -68.5 -12.1 4.7 5.5 14.9 78 81 A H T <> S+ 0 0 5 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.3 0.452 83.3 90.2-103.0 -6.6 2.4 4.7 12.0 79 82 A M H <> S+ 0 0 16 -3,-1.5 4,-3.0 -4,-0.4 5,-0.2 0.881 84.6 53.2 -62.9 -42.2 1.2 1.2 13.0 80 83 A N H > S+ 0 0 111 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.953 113.6 44.1 -54.1 -51.1 -1.8 2.4 15.0 81 84 A E H > S+ 0 0 71 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.928 114.8 47.4 -60.8 -47.8 -3.0 4.4 12.0 82 85 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.924 112.9 49.1 -65.6 -42.3 -2.3 1.6 9.4 83 86 A K H X S+ 0 0 104 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.951 111.7 49.2 -59.1 -47.3 -4.0 -1.1 11.6 84 87 A S H X S+ 0 0 62 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.902 111.0 48.3 -63.9 -43.0 -7.1 1.1 12.1 85 88 A L H X>S+ 0 0 30 -4,-2.5 5,-2.7 1,-0.2 4,-0.6 0.935 113.6 46.8 -60.7 -47.2 -7.5 1.9 8.4 86 89 A L H ><5S+ 0 0 0 -4,-2.3 -81,-2.6 1,-0.2 -82,-2.1 0.875 108.6 55.2 -67.2 -36.3 -7.2 -1.8 7.4 87 90 A L H 3<5S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.6 49.8 -59.7 -35.9 -9.6 -2.9 10.1 88 91 A K H 3<5S- 0 0 164 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.539 123.6-104.8 -82.2 -9.8 -12.1 -0.5 8.7 89 92 A G T <<5S+ 0 0 29 -3,-0.8 2,-0.5 -4,-0.6 -54,-0.3 0.563 75.7 138.5 97.1 9.3 -11.6 -1.8 5.1 90 93 A I < - 0 0 23 -5,-2.7 -1,-0.4 -6,-0.2 -85,-0.2 -0.774 50.0-131.3 -86.5 128.1 -9.6 1.2 3.9 91 94 A W E - d 0 36B 46 -56,-2.7 -54,-2.5 -2,-0.5 2,-0.5 -0.445 12.2-144.0 -78.0 155.6 -6.7 0.1 1.8 92 95 A V E -bd 7 37B 0 -86,-2.5 -84,-3.0 -56,-0.2 2,-0.5 -0.985 12.0-172.2-123.9 123.0 -3.1 1.4 2.4 93 96 A V E -bd 8 38B 0 -56,-2.4 -54,-2.8 -2,-0.5 2,-0.4 -0.971 16.7-172.4-110.2 123.1 -0.8 2.1 -0.5 94 97 A C E -bd 9 39B 0 -86,-2.9 -84,-2.7 -2,-0.5 2,-0.9 -0.979 24.2-142.2-129.5 129.3 2.8 2.8 0.9 95 98 A D E S-bd 10 40B 17 -56,-2.3 -54,-2.5 -2,-0.4 -84,-0.2 -0.796 79.2 -11.2 -91.0 104.3 5.9 4.0 -0.9 96 99 A R + 0 0 36 -86,-2.9 2,-0.2 -2,-0.9 -85,-0.1 0.358 68.8 173.0 80.0 150.5 8.8 2.2 0.9 97 100 A Y > - 0 0 0 -88,-0.1 4,-1.4 -57,-0.1 3,-0.5 -0.646 57.7 -37.5-156.6-149.3 8.7 0.1 4.1 98 101 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.760 125.6 67.1 -64.0 -26.3 11.0 -2.2 6.2 99 102 A Y H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.946 101.9 46.5 -61.8 -43.2 12.5 -3.6 3.0 100 103 A S H > S+ 0 0 10 -3,-0.5 4,-3.0 1,-0.2 5,-0.5 0.913 108.2 58.5 -57.4 -45.4 14.1 -0.2 2.2 101 104 A G H X S+ 0 0 5 -4,-1.4 4,-1.7 1,-0.2 5,-0.2 0.926 114.3 35.6 -51.8 -47.4 15.2 -0.1 5.9 102 105 A V H X>S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.943 117.8 50.4 -73.3 -47.9 17.2 -3.4 5.5 103 106 A A H X5S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.2 5,-0.4 0.905 116.0 40.8 -63.5 -43.3 18.3 -2.9 1.9 104 107 A Y H X>S+ 0 0 24 -4,-3.0 4,-1.9 -5,-0.2 5,-1.1 0.946 119.4 42.8 -73.6 -44.9 19.8 0.6 2.4 105 108 A S H X5S+ 0 0 6 -4,-1.7 6,-2.1 -5,-0.5 4,-0.6 0.909 122.9 37.1 -68.4 -41.3 21.4 0.0 5.8 106 109 A S H <5S+ 0 0 13 -4,-2.8 -1,-0.2 4,-0.2 4,-0.2 0.836 126.0 39.5 -80.2 -33.3 22.8 -3.4 5.0 107 110 A G H < - 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0 0 150 1,-0.1 4,-2.6 2,-0.0 3,-0.5 -0.416 44.7-125.1 -69.3 136.1 23.5 3.2 54.8 371 184 B I H 3> S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.890 111.1 44.2 -44.4 -52.3 24.7 5.6 52.1 372 185 B E H 3> S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.825 111.0 53.8 -71.6 -26.6 28.3 5.3 53.2 373 186 B D H <> S+ 0 0 76 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.919 110.7 47.0 -71.8 -42.1 28.2 1.5 53.6 374 187 B I H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.932 112.2 51.0 -56.1 -49.8 26.9 1.2 50.0 375 188 B H H X S+ 0 0 16 -4,-2.5 4,-3.1 -5,-0.3 -2,-0.2 0.924 109.8 48.9 -57.3 -47.1 29.6 3.6 48.8 376 189 B N H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.886 111.4 50.0 -63.5 -35.5 32.3 1.6 50.6 377 190 B D H X S+ 0 0 56 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 112.0 48.4 -66.3 -43.2 31.0 -1.6 49.1 378 191 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.940 110.3 50.4 -61.7 -48.0 30.9 -0.0 45.6 379 192 B V H X S+ 0 0 16 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.902 109.7 51.4 -57.6 -42.0 34.5 1.3 46.0 380 193 B K H X S+ 0 0 124 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.929 111.2 47.0 -60.2 -45.8 35.7 -2.1 47.0 381 194 B E H >< S+ 0 0 72 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.903 110.8 51.8 -63.9 -42.6 34.1 -3.8 44.0 382 195 B V H >< S+ 0 0 6 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.861 103.7 59.3 -60.3 -37.6 35.5 -1.1 41.7 383 196 B T H 3< S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.680 101.5 55.2 -64.2 -22.1 39.0 -1.8 43.2 384 197 B K T << S+ 0 0 144 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.519 78.4 116.9 -88.6 -11.8 38.7 -5.5 42.0 385 198 B I S < S- 0 0 27 -3,-1.1 2,-0.1 -4,-0.5 -59,-0.0 -0.443 81.8-103.8 -56.3 128.8 38.1 -4.5 38.4 386 199 B K - 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