==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 11-OCT-00 1E9F . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, ESCHERICHIA COLI; . AUTHOR N.OSTERMANN,A.LAVIE,S.PADIYAR,R.BRUNDIERS,T.VEIT, . 201 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.9 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 . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 1 0 1 1 1 0 0 1 2 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 4 A R 0 0 262 0, 0.0 194,-0.1 0, 0.0 193,-0.0 0.000 360.0 360.0 360.0 103.2 -9.3 65.1 5.2 2 5 A R - 0 0 45 192,-0.3 83,-0.2 1,-0.1 82,-0.1 -0.246 360.0-115.8 -70.5 153.9 -6.4 66.9 6.8 3 6 A G - 0 0 2 81,-2.3 2,-0.3 85,-0.3 86,-0.2 -0.210 34.0-108.3 -72.6 164.1 -4.8 66.1 10.2 4 7 A A - 0 0 0 83,-0.2 86,-2.7 120,-0.0 2,-0.7 -0.773 17.2-135.4 -90.9 147.3 -5.0 68.6 13.1 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.1 84,-0.2 121,-1.5 -0.887 30.6-179.7-104.2 109.2 -1.9 70.6 14.3 6 9 A I E -ab 91 126A 0 84,-3.0 86,-2.7 -2,-0.7 2,-0.4 -0.935 5.8-169.6-118.5 121.5 -2.0 70.3 18.1 7 10 A V E -ab 92 127A 0 119,-2.4 121,-3.0 -2,-0.5 2,-0.5 -0.937 10.7-151.0-112.3 140.5 0.6 72.1 20.2 8 11 A L E +ab 93 128A 0 84,-2.9 86,-2.1 -2,-0.4 2,-0.3 -0.940 22.6 174.5-106.1 135.3 1.3 71.7 24.0 9 12 A E E + b 0 129A 0 119,-3.1 121,-2.9 -2,-0.5 2,-0.2 -0.804 15.7 110.0-132.1 164.0 2.8 74.7 25.9 10 13 A G - 0 0 0 -2,-0.3 3,-0.1 119,-0.2 121,-0.1 -0.757 62.5 -56.0 150.5 172.2 3.7 75.6 29.5 11 14 A V S > S- 0 0 3 119,-0.4 3,-1.8 -2,-0.2 5,-0.3 -0.057 73.9 -69.5 -67.1 172.5 6.6 76.2 31.8 12 15 A D T 3 S+ 0 0 69 1,-0.2 -1,-0.2 130,-0.1 136,-0.0 -0.380 124.1 23.4 -62.2 139.9 9.4 73.7 32.4 13 16 A G T 3 S+ 0 0 35 -3,-0.1 -1,-0.2 127,-0.1 -2,-0.1 0.454 84.9 121.1 86.0 -0.2 8.1 70.8 34.4 14 17 A A S < S- 0 0 1 -3,-1.8 -2,-0.1 1,-0.1 -3,-0.1 0.700 86.7-102.6 -75.4 -15.4 4.5 71.3 33.3 15 18 A G S > S+ 0 0 17 -4,-0.2 4,-2.9 -5,-0.1 5,-0.3 0.587 75.9 136.0 110.9 -2.1 4.1 67.9 31.8 16 19 A K H > S+ 0 0 9 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.909 74.5 41.7 -54.9 -43.2 4.3 68.7 28.1 17 20 A S H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 117.4 47.6 -72.1 -44.7 6.7 65.9 27.0 18 21 A T H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.929 117.2 42.6 -58.3 -46.8 4.9 63.3 29.1 19 22 A Q H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.825 112.4 54.1 -75.6 -27.2 1.4 64.4 27.8 20 23 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.929 111.3 44.9 -65.7 -47.2 2.6 64.7 24.2 21 24 A R H X S+ 0 0 135 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.922 116.4 46.4 -59.6 -51.2 4.0 61.2 24.2 22 25 A K H X S+ 0 0 46 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.902 109.4 54.5 -66.7 -30.4 0.8 59.8 25.9 23 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.911 108.8 47.3 -65.2 -49.6 -1.5 61.8 23.5 24 27 A V H X S+ 0 0 20 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.950 112.7 50.6 -61.0 -41.4 0.1 60.3 20.4 25 28 A E H X S+ 0 0 128 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.916 113.2 44.5 -59.3 -46.6 -0.1 56.8 21.9 26 29 A A H X S+ 0 0 20 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.861 113.3 49.6 -65.2 -47.6 -3.8 57.2 22.8 27 30 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 3,-0.7 0.949 112.5 48.2 -58.6 -40.9 -4.8 58.7 19.4 28 31 A C H ><5S+ 0 0 59 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.888 108.6 52.9 -67.3 -38.8 -3.0 56.0 17.5 29 32 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.721 105.4 57.0 -67.4 -23.3 -4.6 53.2 19.6 30 33 A A T <<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.175 127.5 -99.7 -92.9 17.9 -8.0 54.8 18.7 31 34 A G T < 5S+ 0 0 70 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.503 79.3 133.8 80.9 10.2 -7.2 54.4 15.0 32 35 A H < - 0 0 51 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.558 59.5-125.4 -83.8 153.5 -6.0 58.0 14.3 33 36 A R + 0 0 133 54,-0.4 56,-2.6 -2,-0.2 2,-0.3 -0.921 51.2 153.8 -90.8 119.1 -2.9 58.5 12.2 34 37 A A E -c 89 0A 9 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.992 23.1-169.6-152.1 142.9 -0.9 60.8 14.6 35 38 A E E -c 90 0A 71 54,-2.2 56,-2.7 -2,-0.3 2,-0.4 -0.971 20.4-119.9-136.8 152.4 2.8 61.6 15.1 36 39 A L E +c 91 0A 52 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.754 28.6 171.6 -94.6 139.4 4.9 63.4 17.6 37 40 A L E -c 92 0A 23 54,-2.7 56,-2.5 -2,-0.4 2,-0.3 -0.869 9.9-164.3-134.7 159.3 7.2 66.4 16.9 38 41 A R E -c 93 0A 111 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.996 17.4-104.1-144.4 151.5 9.1 68.6 19.3 39 42 A F S S+ 0 0 9 54,-2.3 2,-0.2 -2,-0.3 30,-0.0 -0.991 101.3 35.2-125.7 138.1 10.8 72.0 19.3 40 43 A P S S- 0 0 21 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.614 81.5-156.8 -69.3 155.2 13.6 72.6 19.3 41 44 A E > - 0 0 33 -2,-0.2 3,-1.0 1,-0.1 6,-0.2 -0.891 8.9-170.8-101.8 97.8 14.3 69.6 17.1 42 45 A R T 3 + 0 0 101 -2,-0.9 -1,-0.1 1,-0.2 9,-0.1 0.594 68.2 77.2 -72.6 -6.3 17.9 69.0 17.9 43 46 A S T 3 S+ 0 0 81 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.723 79.6 76.5 -81.5 -21.1 18.5 66.4 15.3 44 47 A T S <> S- 0 0 15 -3,-1.0 4,-1.7 1,-0.1 28,-0.0 -0.291 97.6 -98.8 -79.2 173.9 18.8 68.7 12.3 45 48 A E H > S+ 0 0 153 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.958 126.8 42.3 -54.7 -49.4 21.8 70.8 11.4 46 49 A I H >> S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.912 110.4 58.7 -66.3 -41.1 20.3 73.9 13.0 47 50 A G H 3> S+ 0 0 0 1,-0.2 4,-1.8 -6,-0.2 -1,-0.2 0.786 92.3 66.2 -62.0 -27.3 19.0 71.9 15.9 48 51 A K H 3X S+ 0 0 130 -4,-1.7 4,-1.8 -3,-0.5 -1,-0.2 0.931 103.2 46.4 -61.3 -45.9 22.4 70.7 17.0 49 52 A L H S+ 0 0 34 -4,-1.8 5,-2.9 2,-0.2 6,-0.8 0.886 112.0 52.3 -56.4 -44.7 24.4 72.9 22.8 53 56 A Y H ><5S+ 0 0 40 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.940 112.2 44.6 -57.5 -54.9 23.2 76.4 23.6 54 57 A L H 3<5S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 111.1 53.9 -62.6 -29.4 20.6 75.2 25.9 55 58 A Q T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.305 116.1-118.6 -88.0 6.0 23.1 72.8 27.5 56 59 A K T < 5S+ 0 0 186 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.952 82.4 120.7 52.4 55.5 25.4 75.8 28.0 57 60 A K S - 0 0 112 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.098 41.2-113.0 -48.1 140.0 24.1 86.3 20.8 62 65 A D H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.850 114.6 40.9 -55.3 -42.8 20.6 86.7 22.2 63 66 A H H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 114.1 55.5 -69.9 -40.4 18.9 87.7 18.9 64 67 A S H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.917 108.9 45.8 -55.3 -42.9 21.0 85.2 17.0 65 68 A V H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.906 110.2 54.7 -74.9 -32.0 19.8 82.3 19.2 66 69 A H H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.940 110.3 46.5 -57.9 -49.9 16.2 83.5 19.0 67 70 A L H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.835 108.7 54.5 -63.6 -32.6 16.4 83.4 15.2 68 71 A L H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.883 106.4 52.2 -67.7 -42.5 18.0 79.9 15.3 69 72 A F H X S+ 0 0 30 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.925 114.0 43.7 -57.8 -46.4 15.1 78.6 17.3 70 73 A S H >X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 3,-0.5 0.926 110.7 53.3 -62.2 -46.3 12.6 80.1 14.7 71 74 A A H 3X S+ 0 0 35 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.869 103.5 59.7 -57.0 -32.5 14.7 78.9 11.8 72 75 A N H 3< S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.813 106.7 45.9 -66.2 -33.5 14.5 75.4 13.4 73 76 A R H XX S+ 0 0 5 -4,-1.1 3,-1.6 -3,-0.5 4,-0.6 0.950 111.1 52.1 -69.9 -48.0 10.7 75.5 13.2 74 77 A W H >< S+ 0 0 93 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.878 100.3 61.3 -59.0 -34.6 10.7 76.8 9.6 75 78 A E T 3< S+ 0 0 57 -4,-2.0 -1,-0.3 1,-0.3 4,-0.3 0.776 106.5 48.1 -66.2 -21.5 13.0 74.0 8.4 76 79 A Q T <> S+ 0 0 33 -3,-1.6 4,-2.8 -4,-0.5 -1,-0.3 0.486 85.2 95.2 -91.3 -3.9 10.2 71.5 9.5 77 80 A V H S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.928 114.5 44.7 -64.6 -41.9 7.5 71.3 4.5 79 82 A L H > S+ 0 0 58 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.911 113.6 51.8 -60.2 -50.3 7.3 68.1 6.6 80 83 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.950 113.2 42.7 -53.2 -51.7 4.6 69.6 8.8 81 84 A K H X S+ 0 0 114 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.914 114.7 51.1 -69.4 -34.6 2.4 70.6 5.8 82 85 A E H X S+ 0 0 104 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.958 111.7 45.2 -66.8 -55.0 3.0 67.3 4.0 83 86 A K H <>S+ 0 0 44 -4,-2.9 5,-2.2 1,-0.2 3,-0.4 0.924 113.8 49.7 -54.8 -48.8 2.0 65.1 6.9 84 87 A L H ><5S+ 0 0 3 -4,-2.2 -81,-2.3 -5,-0.3 3,-2.1 0.934 108.9 52.8 -57.7 -44.8 -1.1 67.3 7.7 85 88 A S H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.5 56.8 -61.3 -29.8 -2.2 67.1 4.1 86 89 A Q T 3<5S- 0 0 100 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.430 126.4-100.0 -83.9 5.7 -1.9 63.3 4.2 87 90 A G T < 5S+ 0 0 23 -3,-2.1 2,-0.5 1,-0.3 -54,-0.4 0.566 76.9 140.7 93.3 10.7 -4.4 63.2 7.2 88 91 A V < - 0 0 0 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.768 45.2-142.3 -93.9 122.7 -1.7 62.8 9.9 89 92 A T E - c 0 34A 3 -56,-2.6 -54,-2.2 -2,-0.5 2,-0.5 -0.737 16.8-145.4 -83.9 136.7 -2.5 64.8 13.1 90 93 A L E -ac 5 35A 2 -86,-2.7 -84,-3.0 -2,-0.4 2,-0.5 -0.907 9.4-159.7-111.5 129.4 0.6 66.2 14.6 91 94 A V E -ac 6 36A 0 -56,-2.7 -54,-2.7 -2,-0.5 2,-0.5 -0.961 17.0-161.1-106.4 122.4 1.2 66.6 18.3 92 95 A V E -ac 7 37A 0 -86,-2.7 -84,-2.9 -2,-0.5 2,-1.1 -0.929 15.1-148.7-119.7 117.4 3.9 69.2 19.0 93 96 A D E S-ac 8 38A 10 -56,-2.5 -54,-2.3 -2,-0.5 -84,-0.1 -0.781 78.4 -17.0 -87.4 91.8 5.8 69.5 22.2 94 97 A R S S+ 0 0 35 -86,-2.1 -55,-0.2 -2,-1.1 2,-0.2 0.499 73.5 174.5 82.8 140.4 6.5 73.3 22.3 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.4 -88,-0.1 3,-0.6 -0.544 54.9 -34.2-145.2-143.9 6.3 75.7 19.4 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.840 125.3 63.1 -57.7 -33.9 6.5 79.4 18.6 97 100 A F H 3> S+ 0 0 0 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.914 103.8 45.2 -59.7 -45.2 5.0 80.4 21.9 98 101 A S H <> S+ 0 0 11 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.889 110.4 59.1 -60.3 -37.3 7.8 78.9 23.9 99 102 A G H X S+ 0 0 7 -4,-1.4 4,-1.7 2,-0.2 5,-0.3 0.919 114.0 34.4 -53.8 -52.1 10.0 80.7 21.4 100 103 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.894 117.1 54.4 -76.3 -39.9 8.6 84.1 22.2 101 104 A A H < S+ 0 0 0 -4,-3.3 4,-0.3 -5,-0.2 53,-0.2 0.849 112.7 41.9 -63.0 -41.0 8.1 83.3 26.0 102 105 A F H < S+ 0 0 32 -4,-3.1 3,-0.3 -5,-0.2 4,-0.2 0.923 124.4 34.9 -77.7 -40.2 11.7 82.3 26.5 103 106 A T H >< S+ 0 0 6 -4,-1.7 3,-2.8 -5,-0.3 -2,-0.2 0.951 116.4 55.2 -74.8 -43.9 13.3 85.1 24.4 104 107 A G T 3< S+ 0 0 11 -4,-3.1 5,-0.2 1,-0.3 -1,-0.2 0.629 96.6 67.8 -60.7 -14.1 10.6 87.7 25.4 105 108 A A T 3 S+ 0 0 1 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.665 87.8 87.8 -77.3 -17.3 11.5 86.9 29.0 106 109 A K S X S- 0 0 36 -3,-2.8 3,-0.9 -4,-0.2 2,-0.1 -0.357 93.6 -87.9 -82.9 164.5 14.9 88.5 28.4 107 110 A E T 3 S+ 0 0 135 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.474 107.2 12.9 -74.8 143.0 15.6 92.2 28.8 108 111 A N T 3 S+ 0 0 142 1,-0.1 2,-0.5 -2,-0.1 -1,-0.2 0.774 89.0 126.6 60.3 40.7 15.0 94.5 25.8 109 112 A F < - 0 0 21 -3,-0.9 -1,-0.1 -5,-0.2 -3,-0.0 -0.877 47.4-153.6-126.0 100.2 13.0 92.0 23.8 110 113 A S > - 0 0 67 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 -0.367 21.4-127.2 -67.9 146.3 9.6 93.3 22.7 111 114 A L H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.803 111.4 59.1 -59.0 -32.1 7.0 90.7 22.1 112 115 A D H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.977 107.3 43.0 -65.2 -48.3 6.6 92.3 18.7 113 116 A W H 4 S+ 0 0 89 1,-0.2 -2,-0.2 2,-0.2 3,-0.2 0.860 114.4 53.1 -64.5 -39.9 10.2 91.8 17.7 114 117 A C H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.868 107.8 49.4 -64.7 -33.4 10.1 88.2 19.1 115 118 A K H >X S+ 0 0 52 -4,-2.4 3,-0.9 -3,-0.3 4,-0.7 0.843 91.6 79.5 -73.8 -30.7 7.0 87.2 17.2 116 119 A Q G >< S+ 0 0 88 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.802 84.8 55.2 -50.4 -48.9 8.1 88.3 13.7 117 120 A P G 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.900 113.1 45.1 -52.1 -37.8 10.4 85.5 12.7 118 121 A D G X4 S+ 0 0 0 -3,-0.9 3,-2.2 -4,-0.4 -2,-0.2 0.543 80.8 124.0 -90.3 -1.0 7.6 83.0 13.3 119 122 A V T << S+ 0 0 57 -3,-1.3 83,-0.2 -4,-0.7 82,-0.0 -0.331 77.5 24.3 -58.5 127.8 4.8 85.0 11.6 120 123 A G T 3 S+ 0 0 23 81,-2.9 -1,-0.2 1,-0.3 3,-0.1 0.418 84.9 138.3 98.3 -7.1 3.4 82.7 8.9 121 124 A L S < S- 0 0 0 -3,-2.2 80,-3.3 80,-0.3 -1,-0.3 -0.336 75.1 -72.2 -63.7 158.1 4.2 79.3 10.5 122 125 A P B -E 200 0B 5 0, 0.0 78,-0.3 0, 0.0 -1,-0.2 -0.256 58.1-124.3 -48.6 131.6 1.5 76.7 10.2 123 126 A K - 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