==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 12-JUN-97 1TMK . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.LAVIE,I.SCHLICHTING . 408 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 35 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 4 0 4 0 2 0 0 1 1 0 0 2 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 . 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 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 3 A G 0 0 65 0, 0.0 2,-0.2 0, 0.0 197,-0.2 0.000 360.0 360.0 360.0-122.5 -9.0 34.4 33.6 2 4 A R - 0 0 3 195,-2.5 195,-0.4 1,-0.1 81,-0.2 -0.625 360.0 -97.3 -93.9 160.3 -7.5 33.1 30.4 3 5 A G - 0 0 1 79,-3.0 2,-0.4 -2,-0.2 84,-0.2 -0.099 42.2-108.9 -63.1 170.3 -5.3 35.1 28.0 4 6 A K - 0 0 20 81,-0.2 84,-2.9 120,-0.0 2,-0.7 -0.841 13.4-137.1-108.4 147.2 -6.9 36.7 24.9 5 7 A L E -a 88 0A 2 -2,-0.4 120,-1.7 82,-0.2 121,-1.7 -0.894 26.5-175.9-103.8 104.5 -6.4 35.7 21.3 6 8 A I E -ab 89 126A 0 82,-2.8 84,-3.3 -2,-0.7 2,-0.5 -0.909 4.2-164.4-107.3 123.1 -5.9 38.8 19.2 7 9 A L E -ab 90 127A 0 119,-3.6 121,-3.6 -2,-0.5 2,-0.6 -0.900 10.9-163.5-115.1 131.8 -5.6 38.5 15.5 8 10 A I E +ab 91 128A 0 82,-2.9 84,-1.3 -2,-0.5 2,-0.2 -0.948 19.5 176.4-112.9 112.7 -4.4 41.1 12.9 9 11 A E E + b 0 129A 0 119,-3.0 121,-2.6 -2,-0.6 2,-0.3 -0.721 14.4 118.9-108.5 166.0 -5.4 40.3 9.3 10 12 A G E - b 0 130A 0 -2,-0.2 121,-0.1 119,-0.2 3,-0.1 -0.906 56.8 -63.3 156.3 170.8 -4.8 42.2 6.1 11 13 A L S > S- 0 0 14 119,-0.6 3,-0.8 -2,-0.3 5,-0.3 -0.096 70.2 -71.1 -72.7 175.7 -3.2 42.1 2.6 12 14 A D T 3 S+ 0 0 38 1,-0.2 -1,-0.2 128,-0.1 134,-0.0 -0.506 116.4 9.9 -71.4 136.7 0.5 42.0 2.0 13 15 A R T 3 S+ 0 0 152 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.896 85.2 123.4 63.5 42.9 2.3 45.2 2.9 14 16 A T S < S- 0 0 24 -3,-0.8 -1,-0.1 160,-0.0 -2,-0.1 0.197 91.8 -92.5-116.4 16.3 -0.6 47.0 4.7 15 17 A G S > S+ 0 0 30 -5,-0.1 4,-2.2 -4,-0.1 5,-0.2 0.308 87.4 130.5 92.7 -5.3 1.3 47.5 8.0 16 18 A K H > S+ 0 0 9 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.862 70.7 46.4 -46.7 -52.9 0.1 44.3 9.6 17 19 A T H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 111.1 52.3 -63.2 -40.2 3.5 42.9 10.8 18 20 A T H > S+ 0 0 72 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 112.3 45.7 -60.7 -47.4 4.6 46.3 12.2 19 21 A Q H X S+ 0 0 7 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.910 111.5 51.2 -63.9 -43.0 1.4 46.6 14.3 20 22 A C H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.965 112.9 46.5 -59.3 -48.6 1.6 43.0 15.5 21 23 A N H X S+ 0 0 58 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.915 113.3 49.5 -58.5 -46.1 5.1 43.6 16.6 22 24 A I H X S+ 0 0 34 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.961 113.3 45.1 -57.2 -55.5 4.2 46.9 18.3 23 25 A L H X S+ 0 0 5 -4,-3.2 4,-1.5 1,-0.2 3,-0.3 0.948 113.4 50.5 -56.2 -47.3 1.3 45.4 20.1 24 26 A Y H < S+ 0 0 68 -4,-3.0 3,-0.3 -5,-0.3 4,-0.3 0.896 109.3 52.2 -59.9 -37.7 3.4 42.4 21.1 25 27 A K H >< S+ 0 0 130 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.852 111.7 45.7 -69.9 -30.4 6.1 44.7 22.4 26 28 A K H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.667 104.8 59.4 -85.9 -18.4 3.7 46.6 24.5 27 29 A L T >< S+ 0 0 23 -4,-1.5 3,-0.6 -3,-0.3 -1,-0.2 0.358 92.3 161.5 -90.2 3.4 1.9 43.6 26.1 28 30 A Q T < + 0 0 85 -3,-0.5 4,-0.0 -4,-0.3 -3,-0.0 -0.426 44.6 27.0 -68.9 145.7 5.1 42.3 27.6 29 31 A P T 3 S+ 0 0 123 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 -0.973 126.1 45.7 -94.0 -4.4 6.1 40.5 29.7 30 32 A N S < S+ 0 0 68 -3,-0.6 57,-1.8 56,-0.1 2,-0.3 -0.399 93.2 89.4 -95.5 61.4 2.9 38.4 29.3 31 33 A C E -c 87 0A 7 -2,-1.0 2,-0.3 55,-0.2 57,-0.2 -0.995 51.4-156.2-154.7 144.7 2.4 38.1 25.6 32 34 A K E -c 88 0A 92 55,-2.0 57,-2.6 -2,-0.3 2,-0.5 -0.896 14.7-142.8-116.4 152.7 3.4 35.6 22.8 33 35 A L E -c 89 0A 62 -2,-0.3 2,-0.4 55,-0.2 57,-0.2 -0.974 17.7-172.5-120.3 126.9 3.7 36.6 19.1 34 36 A L E -c 90 0A 21 55,-2.9 57,-3.1 -2,-0.5 2,-0.4 -0.966 4.8-162.6-125.1 128.3 2.6 34.0 16.5 35 37 A K E -c 91 0A 67 -2,-0.4 57,-0.2 55,-0.2 58,-0.1 -0.886 17.7-123.4-110.5 138.6 3.0 34.3 12.7 36 38 A F S S+ 0 0 3 55,-2.1 2,-0.1 -2,-0.4 31,-0.0 -0.984 99.5 43.4-124.5 131.4 1.2 32.2 10.0 37 39 A P S S- 0 0 16 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.533 85.7-155.8 -69.0 141.5 2.6 30.7 8.0 38 40 A E > - 0 0 55 1,-0.1 3,-1.1 -2,-0.1 6,-0.3 -0.756 12.9-173.7 -88.6 91.5 4.9 29.5 10.8 39 41 A R T 3 + 0 0 83 -2,-1.3 -1,-0.1 1,-0.2 9,-0.1 0.443 63.6 81.0 -71.3 -1.9 7.8 28.6 8.5 40 42 A S T 3 S+ 0 0 102 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.696 80.2 77.6 -79.8 -19.1 10.0 27.0 11.2 41 43 A T S <> S- 0 0 36 -3,-1.1 4,-2.6 1,-0.1 5,-0.1 -0.305 95.4-105.2 -84.3 173.2 8.3 23.7 11.1 42 44 A R H > S+ 0 0 189 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.951 126.4 41.2 -63.5 -44.6 8.6 20.9 8.5 43 45 A I H >> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.936 112.1 55.5 -67.1 -44.7 5.2 21.8 7.1 44 46 A G H 3> S+ 0 0 0 -6,-0.3 4,-2.5 1,-0.3 -1,-0.2 0.887 104.2 56.6 -54.1 -38.6 6.0 25.5 7.5 45 47 A G H 3X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.829 103.0 50.9 -62.6 -38.1 9.1 24.9 5.4 46 48 A L H < - 0 0 70 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 -0.958 50.6-163.8-143.4 126.6 9.9 29.7 -5.5 54 56 A D T 3 S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.716 91.2 70.4 -71.7 -28.3 7.9 29.2 -8.7 55 57 A S T 3 S+ 0 0 86 -6,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.840 79.9 89.4 -56.3 -34.5 9.7 25.9 -9.5 56 58 A F < - 0 0 25 -3,-0.7 2,-0.5 -7,-0.3 -3,-0.1 -0.559 68.9-164.7 -70.7 104.5 7.8 24.4 -6.5 57 59 A Q + 0 0 175 -2,-0.8 2,-0.3 222,-0.0 -2,-0.1 -0.823 20.7 153.9 -98.1 132.8 4.6 23.2 -8.1 58 60 A L - 0 0 24 -2,-0.5 221,-0.1 -8,-0.1 -2,-0.0 -0.939 45.0-108.0-158.0 126.8 1.7 22.3 -5.8 59 61 A S > - 0 0 20 -2,-0.3 4,-2.6 216,-0.1 5,-0.3 -0.264 32.7-112.6 -55.3 150.5 -2.0 22.3 -6.7 60 62 A D H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.856 118.8 50.5 -53.8 -39.4 -4.0 25.1 -5.2 61 63 A Q H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 109.8 49.9 -68.6 -38.8 -5.9 22.5 -3.0 62 64 A A H > S+ 0 0 0 216,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.930 112.1 45.0 -65.8 -47.2 -2.7 21.0 -1.8 63 65 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.932 111.6 55.7 -62.9 -41.4 -1.0 24.2 -0.7 64 66 A H H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.916 107.1 48.5 -54.4 -47.8 -4.2 25.3 0.9 65 67 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.797 108.5 53.5 -66.2 -31.6 -4.4 22.2 3.0 66 68 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.909 106.0 53.8 -68.2 -41.9 -0.8 22.6 4.1 67 69 A F H X S+ 0 0 22 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.948 112.5 44.4 -55.0 -47.8 -1.6 26.2 5.2 68 70 A S H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-1.1 0.915 111.4 52.3 -61.6 -47.1 -4.4 24.8 7.4 69 71 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.864 101.6 62.0 -57.6 -38.3 -2.2 21.9 8.7 70 72 A N H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 2,-0.2 4,-0.2 0.777 107.3 44.0 -59.4 -31.6 0.4 24.5 9.7 71 73 A R H XX S+ 0 0 7 -3,-1.1 4,-2.3 -4,-0.8 3,-1.6 0.929 112.0 52.4 -78.7 -49.0 -2.2 26.0 12.1 72 74 A W H 3< S+ 0 0 16 -4,-2.4 4,-0.4 1,-0.3 196,-0.2 0.740 103.1 57.2 -59.4 -27.5 -3.4 22.6 13.4 73 75 A E T 3< S+ 0 0 41 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.700 118.5 33.9 -77.3 -16.4 0.1 21.5 14.3 74 76 A I T X> S+ 0 0 19 -3,-1.6 3,-1.4 -4,-0.2 4,-1.3 0.680 92.1 89.4-108.0 -22.2 0.4 24.6 16.5 75 77 A V H 3X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.3 5,-0.2 0.770 81.4 60.0 -51.4 -34.6 -3.1 25.2 17.9 76 78 A D H 3> S+ 0 0 104 -4,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.866 106.6 48.0 -64.0 -33.9 -2.6 23.0 21.0 77 79 A K H <> S+ 0 0 143 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.825 107.8 55.1 -73.1 -34.8 0.2 25.2 22.1 78 80 A I H X S+ 0 0 2 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.923 109.4 47.8 -62.9 -45.5 -1.9 28.3 21.5 79 81 A K H X S+ 0 0 74 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.874 110.4 52.0 -63.5 -38.3 -4.6 26.9 23.8 80 82 A K H X S+ 0 0 109 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.898 110.3 48.8 -64.0 -44.5 -2.0 26.0 26.4 81 83 A D H <>S+ 0 0 31 -4,-2.3 5,-1.9 2,-0.2 -2,-0.2 0.925 112.0 47.4 -61.3 -48.4 -0.6 29.6 26.4 82 84 A L H ><5S+ 0 0 1 -4,-2.3 -79,-3.0 1,-0.2 3,-1.5 0.881 112.2 50.2 -61.4 -40.9 -4.0 31.2 26.7 83 85 A L H 3<5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.862 105.4 57.9 -68.5 -30.6 -5.0 28.8 29.5 84 86 A E T 3<5S- 0 0 105 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.343 125.1-104.7 -79.7 8.3 -1.7 29.7 31.2 85 87 A G T < 5S+ 0 0 23 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.284 76.3 133.8 90.3 -10.1 -2.8 33.4 31.2 86 88 A K < - 0 0 44 -5,-1.9 -1,-0.3 -6,-0.2 -83,-0.2 -0.509 51.8-130.5 -78.5 138.5 -0.6 34.7 28.3 87 89 A N E - c 0 31A 23 -57,-1.8 -55,-2.0 -84,-0.2 2,-0.5 -0.560 19.7-145.5 -82.6 153.3 -2.1 36.9 25.6 88 90 A I E -ac 5 32A 2 -84,-2.9 -82,-2.8 -57,-0.2 2,-0.6 -0.973 8.7-161.4-126.9 121.5 -1.4 35.9 22.0 89 91 A V E -ac 6 33A 0 -57,-2.6 -55,-2.9 -2,-0.5 2,-0.5 -0.871 17.6-159.5 -96.8 121.4 -1.0 38.3 19.1 90 92 A M E -ac 7 34A 0 -84,-3.3 -82,-2.9 -2,-0.6 2,-1.0 -0.907 15.2-154.8-110.0 134.0 -1.4 36.6 15.8 91 93 A D E S-ac 8 35A 3 -57,-3.1 -55,-2.1 -2,-0.5 -82,-0.2 -0.759 76.6 -20.9-104.5 91.1 -0.2 37.8 12.4 92 94 A R S S+ 0 0 21 -84,-1.3 2,-0.2 -2,-1.0 -1,-0.1 0.203 73.7 159.1 83.4 150.2 -2.6 36.1 9.9 93 95 A Y >> - 0 0 2 -3,-0.1 4,-1.7 -86,-0.1 3,-0.6 -0.702 60.2 -18.8-165.7-139.7 -4.7 33.0 10.7 94 96 A V H 3> S+ 0 0 0 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.846 125.9 59.6 -56.1 -39.8 -7.9 31.3 9.3 95 97 A Y H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 106.0 47.2 -60.4 -39.4 -9.2 34.4 7.5 96 98 A S H <> S+ 0 0 9 -3,-0.6 4,-2.6 1,-0.2 5,-0.4 0.932 109.2 56.9 -66.1 -41.9 -6.0 34.6 5.3 97 99 A G H X S+ 0 0 6 -4,-1.7 4,-1.0 1,-0.2 5,-0.2 0.911 113.3 37.7 -54.4 -49.7 -6.3 30.9 4.6 98 100 A V H X S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.1 5,-0.3 0.958 119.0 46.7 -68.8 -51.4 -9.8 31.1 3.2 99 101 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.922 110.7 48.1 -61.5 -48.9 -9.4 34.4 1.4 100 102 A Y H < S+ 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.2 0.841 120.0 39.6 -63.8 -32.0 -6.1 33.9 -0.4 101 103 A S H >< S+ 0 0 1 -4,-1.0 3,-1.4 -5,-0.4 5,-0.5 0.898 114.9 49.8 -82.1 -44.4 -7.3 30.5 -1.7 102 104 A A H >< S+ 0 0 16 -4,-3.1 3,-1.0 1,-0.3 -2,-0.2 0.777 101.5 66.7 -66.2 -23.4 -10.9 31.4 -2.5 103 105 A A T 3< S+ 0 0 6 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.667 85.8 71.3 -69.5 -21.1 -9.5 34.4 -4.4 104 106 A K T < S- 0 0 41 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.781 93.2-141.0 -67.8 -24.7 -8.0 32.1 -7.0 105 107 A G < + 0 0 66 -3,-1.0 2,-0.2 -4,-0.4 -3,-0.1 0.784 38.8 166.5 66.9 26.0 -11.4 31.2 -8.4 106 108 A T > - 0 0 40 -5,-0.5 3,-2.1 3,-0.3 -1,-0.2 -0.534 47.9 -90.8 -73.9 136.9 -10.3 27.5 -8.8 107 109 A N T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 -0.255 109.1 6.4 -56.0 129.8 -13.2 25.2 -9.4 108 110 A G T 3 S+ 0 0 44 1,-0.1 2,-1.0 -3,-0.1 -1,-0.3 0.245 101.6 107.5 83.3 -13.5 -14.7 23.7 -6.3 109 111 A M < + 0 0 4 -3,-2.1 -4,-0.3 4,-0.1 -3,-0.3 -0.476 46.1 146.4 -95.6 60.7 -12.5 25.9 -4.1 110 112 A D > - 0 0 95 -2,-1.0 4,-3.0 -5,-0.1 5,-0.2 -0.260 68.3 -84.6 -86.2 178.9 -15.1 28.3 -2.8 111 113 A L H > S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 -9,-0.1 0.883 129.1 48.5 -50.2 -44.0 -15.3 30.1 0.6 112 114 A D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.933 112.5 45.3 -65.2 -49.6 -17.0 27.0 2.1 113 115 A W H 4 S+ 0 0 16 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.925 112.6 53.1 -59.9 -44.8 -14.6 24.4 0.8 114 116 A C H < S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.803 109.9 48.9 -64.7 -24.6 -11.7 26.6 1.8 115 117 A L H >X S+ 0 0 35 -4,-1.3 3,-1.9 -3,-0.3 4,-0.8 0.861 89.7 79.3 -82.5 -38.5 -13.0 26.9 5.3 116 118 A Q G >< S+ 0 0 32 -4,-1.9 3,-1.2 1,-0.3 -1,-0.1 0.814 88.1 55.1 -39.3 -51.4 -13.7 23.2 6.1 117 119 A P G 34 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.827 110.1 48.7 -55.9 -31.8 -10.1 22.2 7.0 118 120 A D G X4 S+ 0 0 0 -3,-1.9 3,-2.5 -4,-0.3 87,-0.3 0.597 80.5 120.2 -85.4 -13.3 -10.0 25.0 9.6 119 121 A V T << S+ 0 0 38 -3,-1.2 3,-0.1 -4,-0.8 -3,-0.0 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