==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-10 2XX3 . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.CAILLAT,P.MEYER . 200 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 A 0 0 151 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 59.8 7.0 15.0 9.7 2 4 A R - 0 0 133 77,-0.1 192,-0.1 1,-0.1 191,-0.0 -0.408 360.0-131.6 -63.9 120.1 3.6 16.4 8.4 3 5 A R - 0 0 35 190,-0.4 75,-0.2 -2,-0.3 74,-0.1 -0.275 22.1-104.9 -69.9 156.6 0.7 15.4 10.6 4 6 A G - 0 0 2 73,-2.8 2,-0.3 77,-0.3 78,-0.2 -0.320 35.9-107.7 -76.4 162.7 -2.6 13.9 9.2 5 7 A A - 0 0 0 75,-0.2 78,-2.9 -2,-0.1 2,-0.7 -0.676 16.3-135.7 -93.0 148.2 -5.8 15.9 8.9 6 8 A L E -a 83 0A 0 -2,-0.3 112,-2.3 76,-0.2 113,-1.4 -0.932 29.3-176.1-104.4 106.5 -8.8 15.4 11.2 7 9 A I E -ab 84 119A 0 76,-3.2 78,-3.4 -2,-0.7 2,-0.4 -0.947 6.3-166.6-111.5 123.5 -11.8 15.4 8.9 8 10 A V E -ab 85 120A 0 111,-2.6 113,-3.5 -2,-0.5 2,-0.5 -0.928 8.4-154.2-112.5 132.8 -15.4 15.2 10.3 9 11 A L E +ab 86 121A 0 76,-2.9 78,-1.9 -2,-0.4 2,-0.2 -0.938 25.1 171.2-105.3 121.6 -18.5 14.5 8.2 10 12 A E E + b 0 122A 0 111,-3.6 113,-2.7 -2,-0.5 2,-0.2 -0.756 13.7 110.8-124.6 172.4 -21.7 15.9 9.8 11 13 A G - 0 0 1 -2,-0.2 113,-0.1 111,-0.2 3,-0.1 -0.626 63.6 -55.7 139.5 165.1 -25.4 16.4 8.7 12 14 A V S > S- 0 0 5 111,-0.3 3,-1.6 -2,-0.2 5,-0.3 -0.053 76.6 -64.7 -62.7 169.1 -28.9 15.0 9.6 13 15 A D T 3 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.1 117,-0.0 -0.280 124.4 16.4 -55.6 138.4 -29.8 11.3 9.5 14 16 A R T 3 S+ 0 0 27 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.547 82.3 128.3 69.7 15.7 -29.6 9.9 5.9 15 17 A A S < S- 0 0 2 -3,-1.6 -2,-0.1 -4,-0.1 -3,-0.1 0.703 88.0 -98.9 -67.5 -23.5 -27.5 12.8 4.6 16 18 A G S > S+ 0 0 14 -4,-0.2 4,-2.9 -5,-0.1 5,-0.2 0.576 78.4 140.0 110.5 21.3 -25.0 10.2 3.2 17 19 A K H > S+ 0 0 12 -5,-0.3 4,-2.1 2,-0.2 5,-0.2 0.892 74.4 41.9 -61.8 -47.7 -22.4 10.3 6.0 18 20 A S H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.914 118.4 47.9 -66.9 -41.1 -21.6 6.5 6.2 19 21 A T H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.938 117.6 40.3 -61.2 -53.5 -21.7 6.3 2.3 20 22 A Q H X S+ 0 0 7 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.776 111.4 56.2 -70.4 -32.3 -19.4 9.3 1.8 21 23 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.930 111.5 42.4 -66.7 -47.3 -17.0 8.6 4.7 22 24 A R H X S+ 0 0 123 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.867 114.5 52.5 -64.6 -40.7 -16.1 5.1 3.4 23 25 A K H X S+ 0 0 82 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.895 111.0 47.6 -62.3 -42.2 -15.9 6.4 -0.2 24 26 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 111.6 48.1 -65.2 -50.0 -13.4 9.2 1.0 25 27 A V H X S+ 0 0 17 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.936 114.4 45.9 -57.2 -53.5 -11.1 6.9 3.1 26 28 A E H X S+ 0 0 147 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.829 113.9 48.7 -60.9 -36.4 -10.8 4.3 0.2 27 29 A A H < S+ 0 0 33 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.890 111.7 49.0 -71.0 -41.7 -10.2 7.0 -2.4 28 30 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 111.3 49.8 -63.5 -41.5 -7.5 8.7 -0.2 29 31 A C H < 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.677 360.0 360.0 -69.0 -22.0 -5.8 5.3 0.3 30 32 A A < 0 0 109 -4,-0.8 -3,-0.0 -3,-0.3 0, 0.0 -0.570 360.0 360.0 -82.4 360.0 -5.9 4.7 -3.5 31 ! 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 32 35 A H 0 0 122 0, 0.0 2,-0.7 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 152.5 -2.4 9.1 1.1 33 36 A R + 0 0 143 47,-0.4 49,-2.9 2,-0.0 2,-0.3 -0.858 360.0 157.6 -94.7 114.8 -2.6 7.4 4.6 34 37 A A E -c 82 0A 8 -2,-0.7 2,-0.3 47,-0.2 49,-0.2 -1.000 21.6-170.5-143.3 143.1 -6.2 7.5 5.8 35 38 A E E -c 83 0A 73 47,-2.2 49,-2.7 -2,-0.3 2,-0.4 -0.950 21.7-122.4-132.2 151.0 -8.4 5.7 8.3 36 39 A L E -c 84 0A 38 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.787 22.5-176.2 -97.1 136.3 -12.1 5.7 9.1 37 40 A L E -c 85 0A 10 47,-2.8 49,-3.0 -2,-0.4 2,-0.4 -0.983 6.6-163.7-127.2 136.9 -13.6 6.4 12.6 38 41 A R E -c 86 0A 103 -2,-0.4 49,-0.2 47,-0.2 50,-0.1 -0.987 19.2-116.5-125.0 134.5 -17.3 6.2 13.4 39 42 A F S S+ 0 0 5 47,-2.7 2,-0.1 -2,-0.4 23,-0.0 -0.968 100.5 40.9-116.8 127.8 -19.1 7.7 16.4 40 43 A P S S- 0 0 16 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.466 83.6-156.0 -70.9 145.3 -20.6 6.0 18.4 41 44 A E > - 0 0 19 1,-0.1 3,-0.8 -2,-0.1 6,-0.3 -0.842 9.5-172.4 -95.2 96.8 -17.7 3.4 18.4 42 45 A R T 3 + 0 0 137 -2,-1.0 -1,-0.1 1,-0.2 9,-0.1 0.557 69.2 75.3 -67.4 -14.5 -19.6 0.3 19.5 43 46 A S T 3 S+ 0 0 87 4,-0.1 -1,-0.2 5,-0.1 5,-0.0 0.761 82.2 75.3 -72.6 -31.5 -16.4 -1.9 19.8 44 47 A T S <> S- 0 0 29 -3,-0.8 4,-1.9 1,-0.1 5,-0.1 -0.158 94.8-104.5 -75.3 175.0 -15.0 -0.4 23.1 45 48 A E H > S+ 0 0 178 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.924 125.3 46.0 -66.7 -44.8 -16.4 -1.0 26.7 46 49 A I H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.885 114.1 50.4 -63.1 -39.9 -18.1 2.5 26.7 47 50 A G H 4 S+ 0 0 0 -6,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.819 105.4 55.7 -65.5 -35.5 -19.4 1.7 23.2 48 51 A K H < S+ 0 0 147 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.767 103.6 55.5 -68.5 -29.6 -20.7 -1.7 24.4 49 52 A L H < S+ 0 0 116 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.890 105.7 49.6 -70.1 -41.0 -22.8 0.1 27.1 50 53 A L < 0 0 36 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.575 360.0 360.0 -71.6 -10.3 -24.4 2.3 24.4 51 54 A S 0 0 106 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 -0.461 360.0 360.0 61.8 360.0 -25.1 -1.1 22.7 52 ! 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 53 63 A V 0 0 162 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -41.9 -32.6 5.2 30.5 54 64 A E > - 0 0 99 3,-0.1 4,-1.6 2,-0.1 3,-0.3 0.950 360.0-142.9 65.0 100.0 -31.8 8.7 31.7 55 65 A D H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.660 96.0 56.0 -61.3 -27.6 -30.8 11.1 28.8 56 66 A H H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 109.1 48.4 -72.5 -43.0 -28.0 13.1 30.6 57 67 A S H > S+ 0 0 65 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.894 112.5 49.1 -57.8 -46.2 -26.2 9.8 31.4 58 68 A V H X S+ 0 0 23 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.919 110.2 50.5 -60.5 -48.9 -26.6 8.7 27.7 59 69 A H H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.884 113.2 46.0 -55.9 -45.5 -25.3 12.2 26.5 60 70 A L H X S+ 0 0 84 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.833 109.8 53.9 -68.1 -35.8 -22.2 11.8 28.8 61 71 A L H X S+ 0 0 51 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.864 107.8 51.1 -66.2 -38.2 -21.6 8.2 27.7 62 72 A F H X S+ 0 0 63 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.890 113.2 45.2 -64.8 -40.9 -21.6 9.4 24.0 63 73 A S H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 3,-0.5 0.878 110.7 52.6 -69.6 -40.6 -19.0 12.1 24.9 64 74 A A H X S+ 0 0 37 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.777 104.9 57.7 -65.4 -27.7 -16.9 9.6 27.0 65 75 A N H < S+ 0 0 0 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.787 109.5 44.2 -71.1 -32.1 -16.9 7.3 23.9 66 76 A R H >< S+ 0 0 6 -4,-0.8 3,-1.1 -3,-0.5 4,-0.3 0.899 112.7 51.8 -76.3 -45.1 -15.3 10.2 21.9 67 77 A W H >< S+ 0 0 95 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.804 101.5 59.8 -61.6 -34.8 -12.8 11.0 24.7 68 78 A E T 3< S+ 0 0 60 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.678 103.8 52.7 -69.0 -18.4 -11.6 7.4 25.0 69 79 A Q T <> S+ 0 0 23 -3,-1.1 4,-2.8 -4,-0.3 -1,-0.2 0.468 83.1 94.2 -93.0 -7.5 -10.4 7.6 21.3 70 80 A V H <> S+ 0 0 9 -3,-1.1 4,-2.6 -4,-0.3 5,-0.3 0.908 82.3 49.3 -55.5 -49.9 -8.4 10.8 21.9 71 81 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.916 115.4 46.4 -58.0 -39.6 -5.0 9.0 22.5 72 82 A L H > S+ 0 0 63 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.916 112.7 50.3 -62.7 -47.7 -5.6 7.0 19.3 73 83 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.951 113.4 44.0 -55.2 -57.1 -6.6 10.1 17.4 74 84 A K H X S+ 0 0 111 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.845 115.3 48.9 -57.3 -42.8 -3.5 12.2 18.4 75 85 A E H X S+ 0 0 116 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.928 112.7 46.2 -65.2 -49.6 -1.1 9.2 17.8 76 86 A K H <>S+ 0 0 51 -4,-2.7 5,-2.4 2,-0.2 4,-0.5 0.935 114.1 48.7 -59.7 -47.3 -2.6 8.4 14.3 77 87 A L H ><5S+ 0 0 3 -4,-2.6 -73,-2.8 1,-0.2 3,-1.2 0.889 110.7 50.2 -60.0 -42.9 -2.5 12.2 13.3 78 88 A S H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.787 105.2 58.3 -66.3 -28.8 1.2 12.5 14.5 79 89 A Q T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.584 126.1-102.4 -74.0 -14.4 2.1 9.4 12.5 80 90 A G T < 5S+ 0 0 19 -3,-1.2 2,-0.5 -4,-0.5 -47,-0.4 0.529 76.3 141.3 99.5 14.1 0.9 11.3 9.3 81 91 A V < - 0 0 6 -5,-2.4 -77,-0.3 -6,-0.2 2,-0.3 -0.789 46.0-139.9 -91.9 123.0 -2.5 9.4 9.1 82 92 A T E - c 0 34A 4 -49,-2.9 -47,-2.2 -2,-0.5 2,-0.5 -0.641 17.2-143.6 -78.9 133.7 -5.5 11.5 8.1 83 93 A L E -ac 6 35A 0 -78,-2.9 -76,-3.2 -2,-0.3 2,-0.6 -0.922 8.4-159.9-108.6 124.7 -8.6 10.5 10.1 84 94 A V E -ac 7 36A 0 -49,-2.7 -47,-2.8 -2,-0.5 2,-0.6 -0.913 16.0-159.7-101.2 115.9 -12.1 10.6 8.4 85 95 A V E -ac 8 37A 0 -78,-3.4 -76,-2.9 -2,-0.6 2,-1.0 -0.916 14.4-153.9-111.2 117.1 -14.7 10.8 11.1 86 96 A D E S-ac 9 38A 6 -49,-3.0 -47,-2.7 -2,-0.6 -76,-0.1 -0.781 78.4 -15.0 -88.4 95.8 -18.4 9.8 10.6 87 97 A R S S+ 0 0 43 -78,-1.9 -48,-0.2 -2,-1.0 2,-0.2 0.494 72.6 176.2 77.2 140.8 -20.1 12.0 13.2 88 98 A Y >> - 0 0 0 -3,-0.1 4,-1.3 -50,-0.1 3,-0.5 -0.480 57.2 -39.7-143.6-149.6 -18.4 13.8 16.1 89 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.769 127.6 64.6 -58.1 -31.9 -19.3 16.2 19.0 90 100 A F H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 104.2 44.2 -61.4 -44.4 -21.7 18.1 16.6 91 101 A S H <> S+ 0 0 7 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.836 110.4 58.2 -67.7 -33.7 -24.0 15.1 16.2 92 102 A G H X S+ 0 0 8 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.934 111.9 38.6 -58.6 -49.0 -23.7 14.6 20.0 93 103 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.853 116.8 52.5 -70.0 -40.7 -25.1 18.1 20.7 94 104 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.883 110.5 45.6 -65.0 -45.1 -27.7 17.8 17.8 95 105 A F H X S+ 0 0 46 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.881 117.5 41.8 -68.5 -43.3 -29.2 14.5 18.9 96 106 A T H < S+ 0 0 11 -4,-1.5 6,-0.5 -5,-0.2 4,-0.4 0.867 115.6 52.1 -70.8 -36.7 -29.5 15.4 22.6 97 107 A G H < S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.2 3,-0.2 0.761 105.4 54.9 -66.7 -29.3 -30.8 18.8 21.5 98 108 A A H < S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.759 99.6 58.5 -75.2 -27.1 -33.4 17.1 19.3 99 109 A K S < S- 0 0 86 -4,-1.0 2,-0.9 -3,-0.2 -1,-0.2 0.660 101.0-158.6 -71.5 -17.7 -34.6 15.2 22.5 100 110 A E + 0 0 97 -4,-0.4 -3,-0.1 -3,-0.2 -1,-0.1 -0.113 59.8 105.6 70.9 -27.8 -35.1 18.9 23.5 101 111 A N S S+ 0 0 127 -2,-0.9 2,-0.3 -5,-0.2 -1,-0.1 0.752 78.0 57.1 -53.3 -30.0 -35.2 18.8 27.4 102 112 A F S S- 0 0 25 -6,-0.5 -2,-0.2 1,-0.1 -3,-0.0 -0.835 83.9-112.8-114.5 147.5 -31.6 20.3 27.6 103 113 A S > - 0 0 76 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.248 26.1-116.3 -69.5 156.6 -29.9 23.5 26.4 104 114 A L H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.833 114.1 58.2 -61.7 -36.7 -27.1 23.7 23.7 105 115 A D H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.942 107.8 44.2 -61.2 -49.9 -24.7 25.1 26.3 106 116 A W H 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.867 113.7 52.2 -61.3 -41.5 -25.0 22.0 28.6 107 117 A C H < S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.828 110.5 47.5 -64.3 -35.3 -24.8 19.6 25.6 108 118 A K H >< S+ 0 0 47 -4,-1.9 3,-1.4 -3,-0.2 4,-0.5 0.881 93.9 77.3 -72.9 -44.9 -21.5 21.2 24.3 109 119 A Q G >< S+ 0 0 93 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.746 87.9 53.3 -39.5 -49.8 -19.6 21.3 27.6 110 120 A P G 3 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.816 111.2 48.2 -62.2 -29.9 -18.5 17.6 27.9 111 121 A D G X S+ 0 0 0 -3,-1.4 3,-1.8 -4,-0.3 2,-0.2 0.465 82.2 119.9 -87.5 -3.6 -16.9 17.7 24.4 112 122 A V T < S+ 0 0 38 -3,-1.3 89,-0.2 -4,-0.5 90,-0.1 -0.472 75.9 27.5 -64.9 123.4 -15.0 20.9 25.1 113 123 A G T 3 S+ 0 0 16 87,-2.9 -1,-0.2 1,-0.3 3,-0.1 0.155 85.9 135.5 108.7 -16.7 -11.3 20.2 24.7 114 124 A L S < S- 0 0 0 -3,-1.8 86,-3.3 86,-0.2 -1,-0.3 -0.167 75.0 -70.6 -55.6 157.5 -11.6 17.3 22.1 115 125 A P B -E 199 0B 4 0, 0.0 84,-0.3 0, 0.0 -1,-0.2 -0.280 57.1-123.4 -54.9 125.5 -9.2 17.3 19.1 116 126 A K - 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