==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JAN-03 1NN1 . COMPND 2 MOLECULE: SIMILAR TO THYMIDYLATE KINASE (DTMP KINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,D.SEGURA-PENA,C.MEIER,T.VEIT,M.MONNERJAHN,M.KONR . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 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 . 18 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 1 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 0 228 0, 0.0 199,-0.1 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 100.4 -8.8 65.9 5.0 2 5 A R - 0 0 38 197,-0.2 83,-0.2 198,-0.2 82,-0.1 -0.309 360.0-114.9 -71.6 157.7 -5.8 67.7 6.5 3 6 A G - 0 0 3 81,-2.4 2,-0.3 85,-0.3 86,-0.2 -0.292 34.3-104.7 -78.4 169.2 -4.3 66.8 9.9 4 7 A A - 0 0 0 83,-0.2 86,-2.6 -2,-0.0 2,-0.7 -0.721 17.1-135.6 -93.3 154.6 -4.4 69.2 12.8 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.6 118,-0.2 121,-1.4 -0.919 29.9-178.8-109.3 112.2 -1.4 71.2 14.1 6 9 A I E -ab 91 126A 0 84,-3.1 86,-3.1 -2,-0.7 2,-0.4 -0.962 6.9-165.4-120.1 125.3 -1.5 71.0 17.9 7 10 A V E -ab 92 127A 0 119,-3.0 121,-3.0 -2,-0.5 2,-0.5 -0.900 8.9-155.0-112.5 138.7 1.1 72.7 20.1 8 11 A L E +ab 93 128A 0 84,-2.9 86,-2.2 -2,-0.4 2,-0.2 -0.962 22.5 165.6-107.2 126.6 1.8 72.2 23.8 9 12 A E E + b 0 129A 0 119,-2.9 121,-2.4 -2,-0.5 2,-0.2 -0.761 13.0 131.1-124.7 168.1 3.4 75.2 25.6 10 13 A G E - b 0 130A 1 -2,-0.2 4,-0.2 119,-0.2 121,-0.2 -0.779 52.3 -54.3 159.3 163.1 3.7 75.6 29.4 11 14 A V S > S- 0 0 6 119,-1.2 3,-2.6 -2,-0.2 5,-0.3 -0.064 76.8 -71.4 -61.7 161.8 5.7 76.4 32.5 12 15 A D T 3 S+ 0 0 25 1,-0.3 -1,-0.1 2,-0.1 137,-0.0 -0.198 121.9 6.1 -57.9 137.8 8.9 74.5 33.2 13 16 A R T 3 S+ 0 0 47 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.684 88.4 135.8 63.4 16.3 8.3 70.9 34.2 14 17 A A S < S- 0 0 2 -3,-2.6 -2,-0.1 -4,-0.2 -1,-0.1 0.752 81.1-101.0 -68.6 -18.1 4.6 71.6 33.5 15 18 A G S > S+ 0 0 17 -4,-0.2 4,-3.1 -5,-0.1 5,-0.3 0.505 74.8 142.0 112.3 13.8 4.5 68.2 31.6 16 19 A K H > S+ 0 0 12 -5,-0.3 4,-2.1 1,-0.2 5,-0.2 0.903 76.1 41.7 -55.5 -46.6 4.8 69.3 28.0 17 20 A S H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 115.7 47.6 -73.4 -42.7 7.0 66.4 26.9 18 21 A T H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 116.7 44.3 -60.4 -47.0 5.2 63.7 28.8 19 22 A Q H X S+ 0 0 6 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.837 109.7 55.3 -68.1 -35.1 1.8 64.9 27.6 20 23 A S H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.941 111.9 45.0 -60.3 -40.9 3.0 65.3 24.0 21 24 A R H X S+ 0 0 135 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.947 114.7 46.2 -69.3 -45.9 4.2 61.7 24.0 22 25 A K H X S+ 0 0 43 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.817 109.5 56.1 -65.0 -35.9 1.1 60.3 25.6 23 26 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.952 108.3 46.7 -62.6 -47.6 -1.2 62.4 23.2 24 27 A V H X S+ 0 0 20 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.939 112.6 49.8 -59.6 -47.6 0.4 60.9 20.1 25 28 A E H X S+ 0 0 128 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.897 113.7 45.5 -58.2 -43.2 0.2 57.4 21.4 26 29 A A H X S+ 0 0 19 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.887 112.2 50.6 -69.8 -38.4 -3.5 57.8 22.4 27 30 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.8 0.972 112.4 47.0 -66.4 -44.4 -4.4 59.4 19.1 28 31 A C H ><5S+ 0 0 58 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.856 108.7 54.1 -66.1 -35.1 -2.7 56.6 17.1 29 32 A A H 3<5S+ 0 0 91 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.790 105.3 56.6 -68.3 -21.8 -4.4 54.0 19.3 30 33 A A T <<5S- 0 0 58 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.146 129.3 -96.8 -99.8 28.1 -7.8 55.6 18.4 31 34 A G T < 5S+ 0 0 70 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.472 82.0 131.2 74.8 5.1 -7.1 55.2 14.7 32 35 A H < - 0 0 48 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.537 59.5-126.3 -80.4 159.1 -5.6 58.7 13.9 33 36 A R + 0 0 148 54,-0.4 56,-2.8 -2,-0.2 2,-0.3 -0.918 49.6 155.5 -98.5 111.5 -2.4 59.2 12.0 34 37 A A E -c 89 0A 7 -2,-0.6 2,-0.3 54,-0.2 56,-0.2 -0.993 21.7-171.8-142.0 144.6 -0.4 61.5 14.4 35 38 A E E -c 90 0A 76 54,-2.2 56,-2.6 -2,-0.3 2,-0.4 -0.966 21.6-118.7-140.0 153.7 3.3 62.1 14.9 36 39 A L E +c 91 0A 55 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.812 27.3 175.1 -96.7 132.2 5.3 64.0 17.4 37 40 A L E -c 92 0A 17 54,-2.9 56,-2.3 -2,-0.4 2,-0.3 -0.844 8.2-166.6-123.4 160.7 7.6 67.0 16.8 38 41 A R E -c 93 0A 87 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.997 18.1-107.0-142.7 158.0 9.5 69.1 19.3 39 42 A F S S+ 0 0 10 54,-2.4 2,-0.2 -2,-0.3 30,-0.0 -0.996 99.5 39.4-133.1 134.9 11.4 72.5 19.3 40 43 A P S S- 0 0 20 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.579 79.7-157.2 -74.0 151.9 14.2 73.0 19.4 41 44 A E > - 0 0 26 -2,-0.2 3,-1.0 1,-0.1 6,-0.2 -0.870 9.1-169.1 -96.9 98.6 14.9 70.1 17.1 42 45 A R T 3 + 0 0 84 -2,-1.0 9,-0.1 1,-0.2 -1,-0.1 0.449 66.7 79.3 -74.9 2.0 18.5 69.4 18.0 43 46 A S T 3 S+ 0 0 76 4,-0.1 -1,-0.2 5,-0.1 2,-0.0 0.691 78.5 76.2 -87.4 -16.9 19.3 67.0 15.2 44 47 A T S <> S- 0 0 28 -3,-1.0 4,-2.4 1,-0.1 5,-0.2 -0.264 97.9 -98.8 -85.2 177.2 19.9 69.6 12.4 45 48 A E H > S+ 0 0 174 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.968 127.9 44.3 -58.3 -50.7 23.0 71.8 12.0 46 49 A I H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.911 109.8 55.9 -55.8 -48.7 21.1 74.6 13.7 47 50 A G H > S+ 0 0 0 -6,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.842 103.1 55.1 -58.0 -34.3 19.7 72.4 16.4 48 51 A K H X S+ 0 0 127 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.904 107.3 49.8 -69.6 -29.9 23.2 71.3 17.4 49 52 A L H X S+ 0 0 97 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.922 112.9 48.1 -67.2 -38.6 24.3 74.9 17.9 50 53 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.916 110.1 50.9 -68.1 -42.9 21.1 75.4 20.0 51 54 A S H X S+ 0 0 16 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.923 110.6 48.6 -63.2 -46.7 21.8 72.3 22.1 52 55 A S H <>S+ 0 0 32 -4,-2.2 5,-2.5 1,-0.2 6,-1.1 0.938 112.9 49.1 -58.8 -43.6 25.3 73.4 22.8 53 56 A Y H ><5S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.918 111.2 48.0 -60.0 -50.3 24.1 76.8 23.8 54 57 A L H 3<5S+ 0 0 12 -4,-2.7 93,-2.3 1,-0.2 -1,-0.2 0.779 112.6 48.8 -63.2 -29.8 21.4 75.5 26.1 55 58 A Q T 3<5S- 0 0 74 -4,-2.1 -1,-0.2 91,-0.2 -2,-0.2 0.413 115.1-120.5 -83.5 -2.3 23.8 73.1 27.8 56 59 A K T < 5S+ 0 0 114 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.748 79.2 124.2 65.9 27.0 26.2 76.1 28.2 57 60 A K S - 0 0 112 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.214 38.3-118.9 -55.2 139.2 24.8 86.6 21.3 62 65 A D H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.829 109.9 45.1 -56.9 -39.3 21.1 87.0 22.3 63 66 A H H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.923 114.1 50.6 -70.5 -47.2 19.7 88.2 19.0 64 67 A S H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.950 110.8 47.9 -56.4 -46.5 21.6 85.6 17.0 65 68 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.925 108.9 54.1 -66.6 -36.3 20.4 82.7 19.2 66 69 A H H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.911 110.9 46.6 -57.9 -44.0 16.7 84.0 19.0 67 70 A L H X S+ 0 0 82 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.873 109.4 53.9 -67.9 -38.1 17.0 83.9 15.2 68 71 A L H X S+ 0 0 37 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.921 106.3 52.4 -63.3 -43.3 18.6 80.5 15.2 69 72 A F H X S+ 0 0 23 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.873 113.7 44.5 -58.5 -38.7 15.6 79.1 17.3 70 73 A S H >X S+ 0 0 3 -4,-1.6 4,-2.4 -5,-0.2 3,-1.1 0.952 110.3 52.6 -69.9 -46.1 13.3 80.6 14.7 71 74 A A H 3X S+ 0 0 36 -4,-3.1 4,-2.5 1,-0.3 -2,-0.2 0.870 102.6 61.7 -55.5 -38.0 15.3 79.3 11.8 72 75 A N H 3< S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -1,-0.3 0.809 106.9 44.5 -59.5 -31.6 15.1 75.8 13.4 73 76 A R H X< S+ 0 0 5 -3,-1.1 3,-1.3 -4,-0.9 4,-0.3 0.932 110.8 53.0 -77.9 -47.9 11.3 76.0 13.1 74 77 A W H >< S+ 0 0 94 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.879 100.4 61.3 -55.9 -36.2 11.4 77.3 9.5 75 78 A E T 3< S+ 0 0 70 -4,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.769 106.7 48.1 -63.3 -21.1 13.7 74.4 8.4 76 79 A Q T <> S+ 0 0 33 -3,-1.3 4,-2.3 -4,-0.4 -1,-0.3 0.484 86.0 92.4 -94.0 -1.3 10.9 72.0 9.4 77 80 A V H <> S+ 0 0 11 -3,-2.1 4,-3.0 -4,-0.3 5,-0.3 0.878 81.6 53.8 -62.5 -45.9 8.1 73.9 7.6 78 81 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.956 114.0 43.0 -52.5 -46.4 8.2 71.9 4.4 79 82 A L H > S+ 0 0 60 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.888 113.1 51.9 -66.3 -42.7 7.8 68.7 6.4 80 83 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.943 112.8 44.9 -59.2 -51.0 5.1 70.1 8.6 81 84 A K H X S+ 0 0 98 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.924 113.9 49.8 -63.3 -41.4 3.0 71.3 5.6 82 85 A E H X S+ 0 0 104 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.944 112.6 46.2 -61.7 -45.1 3.6 68.0 3.8 83 86 A K H ><>S+ 0 0 45 -4,-2.8 5,-2.4 1,-0.2 3,-0.6 0.942 113.1 48.5 -64.1 -47.6 2.5 65.9 6.8 84 87 A L H ><5S+ 0 0 3 -4,-2.6 -81,-2.4 1,-0.2 3,-2.4 0.937 109.6 52.9 -59.8 -41.7 -0.6 67.9 7.6 85 88 A S H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.751 104.8 56.3 -65.7 -27.0 -1.7 67.9 3.9 86 89 A Q T <<5S- 0 0 95 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.387 126.6-101.0 -84.0 1.6 -1.4 64.1 3.9 87 90 A G T < 5S+ 0 0 14 -3,-2.4 2,-0.5 1,-0.3 -54,-0.4 0.548 76.4 139.7 93.8 7.6 -3.8 63.9 6.9 88 91 A V < - 0 0 7 -5,-2.4 2,-0.3 -6,-0.2 -85,-0.3 -0.791 46.5-139.9 -88.9 125.6 -1.3 63.4 9.7 89 92 A T E - c 0 34A 2 -56,-2.8 -54,-2.2 -2,-0.5 2,-0.5 -0.667 17.1-146.4 -81.1 139.2 -2.0 65.4 12.8 90 93 A L E -ac 5 35A 2 -86,-2.6 -84,-3.1 -2,-0.3 2,-0.6 -0.922 8.7-160.9-113.6 126.9 1.2 66.9 14.3 91 94 A V E -ac 6 36A 0 -56,-2.6 -54,-2.9 -2,-0.5 2,-0.5 -0.944 16.5-161.7-105.5 121.1 1.7 67.2 18.1 92 95 A V E -ac 7 37A 0 -86,-3.1 -84,-2.9 -2,-0.6 2,-1.0 -0.945 16.1-147.6-120.4 122.3 4.4 69.7 18.8 93 96 A D E S-ac 8 38A 18 -56,-2.3 -54,-2.4 -2,-0.5 -84,-0.1 -0.815 79.6 -15.7 -88.9 91.4 6.3 70.0 22.1 94 97 A R S S+ 0 0 50 -86,-2.2 2,-0.2 -2,-1.0 -55,-0.1 0.476 72.8 175.2 81.3 146.2 7.1 73.8 22.2 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.5 -88,-0.1 3,-0.5 -0.571 56.4 -38.2-149.4-145.6 6.8 76.2 19.2 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.773 125.1 67.0 -63.5 -27.5 7.2 79.9 18.5 97 100 A F H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.944 102.2 45.6 -59.6 -48.2 5.4 80.9 21.7 98 101 A S H <> S+ 0 0 10 -3,-0.5 4,-2.6 1,-0.2 5,-0.3 0.917 110.3 57.4 -60.8 -39.7 8.4 79.5 23.8 99 102 A G H X S+ 0 0 7 -4,-1.5 4,-1.7 1,-0.2 5,-0.3 0.921 113.1 38.2 -53.9 -49.6 10.7 81.3 21.3 100 103 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.923 116.2 51.0 -72.6 -41.9 9.0 84.7 22.1 101 104 A A H X S+ 0 0 0 -4,-3.0 4,-0.8 -5,-0.2 59,-0.2 0.893 112.9 44.7 -64.0 -40.7 8.6 84.0 25.8 102 105 A F H < S+ 0 0 21 -4,-2.6 3,-0.4 -5,-0.2 -1,-0.2 0.927 120.8 36.1 -73.7 -48.1 12.2 83.0 26.5 103 106 A T H >< S+ 0 0 2 -4,-1.7 3,-2.5 -5,-0.3 -1,-0.2 0.890 114.2 59.9 -69.4 -36.4 14.0 85.7 24.5 104 107 A G H 3< S+ 0 0 12 -4,-2.0 5,-0.3 -5,-0.3 -1,-0.2 0.744 95.8 63.6 -64.5 -18.0 11.3 88.2 25.6 105 108 A A T 3< S+ 0 0 3 -4,-0.8 -1,-0.3 -3,-0.4 2,-0.3 0.476 86.9 88.5 -79.8 -10.8 12.3 87.5 29.2 106 109 A K S X S- 0 0 22 -3,-2.5 3,-1.0 1,-0.1 -3,-0.0 -0.679 95.1 -88.3 -87.2 156.9 15.7 89.0 28.6 107 110 A E T 3 S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.305 106.0 11.6 -66.2 140.0 16.3 92.7 29.1 108 111 A N T 3 S+ 0 0 156 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.743 88.3 124.1 64.2 30.0 15.6 95.0 26.2 109 112 A F < - 0 0 21 -3,-1.0 -1,-0.2 -5,-0.3 2,-0.1 -0.968 50.9-148.3-113.9 110.2 13.9 92.5 23.9 110 113 A S > - 0 0 64 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.462 17.8-126.6 -74.9 150.3 10.4 93.7 22.8 111 114 A L H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.889 111.1 57.5 -58.6 -39.6 7.7 91.2 22.2 112 115 A D H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.973 108.7 43.5 -56.6 -53.9 7.2 92.7 18.8 113 116 A W H 4 S+ 0 0 91 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.903 112.8 53.5 -57.7 -44.3 10.8 92.2 17.8 114 117 A C H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.880 108.8 49.6 -62.7 -33.4 10.8 88.6 19.2 115 118 A K H >X S+ 0 0 45 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.796 91.0 80.5 -75.2 -30.7 7.7 87.6 17.2 116 119 A Q G >< S+ 0 0 89 -4,-1.4 3,-1.4 -3,-0.4 -1,-0.2 0.810 85.2 53.3 -51.6 -47.7 8.8 88.8 13.8 117 120 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.891 112.2 47.9 -55.3 -35.9 11.0 86.0 12.6 118 121 A D G X4 S+ 0 0 0 -3,-0.9 3,-2.1 -4,-0.4 -2,-0.2 0.491 81.1 120.4 -86.7 -1.9 8.2 83.5 13.3 119 122 A V T << S+ 0 0 37 -3,-1.4 89,-0.2 -4,-0.5 90,-0.1 -0.407 76.9 25.7 -60.5 132.1 5.6 85.5 11.5 120 123 A G T 3 S+ 0 0 12 87,-2.8 -1,-0.3 1,-0.3 3,-0.1 0.286 86.1 134.8 97.6 -15.5 4.2 83.4 8.7 121 124 A L S < S- 0 0 0 -3,-2.1 86,-3.3 86,-0.2 -1,-0.3 -0.286 75.8 -70.0 -64.9 163.4 4.9 79.9 10.2 122 125 A P B -E 206 0B 1 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.263 58.1-124.4 -52.0 125.1 2.2 77.3 10.0 123 126 A K - 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