==== 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 1NN0 . COMPND 2 MOLECULE: THYMIDYLATE 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) . 9866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 75.1 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 . 3 1.4 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 . 16 7.7 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 . 80 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 1 0 1 0 0 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 258 0, 0.0 200,-0.1 0, 0.0 199,-0.0 0.000 360.0 360.0 360.0 96.3 -8.9 65.3 5.2 2 5 A R - 0 0 41 198,-0.3 83,-0.2 1,-0.1 82,-0.1 -0.242 360.0-115.5 -67.4 157.9 -5.9 67.1 6.8 3 6 A G - 0 0 3 81,-2.4 2,-0.3 85,-0.3 86,-0.2 -0.233 32.0-108.0 -77.9 168.8 -4.5 66.3 10.2 4 7 A A - 0 0 0 83,-0.2 86,-2.7 188,-0.0 2,-0.6 -0.704 16.2-134.4 -95.9 155.7 -4.6 68.8 13.0 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.7 118,-0.2 121,-1.1 -0.951 28.2-176.6-112.2 113.2 -1.5 70.6 14.4 6 9 A I E -ab 91 126A 0 84,-3.3 86,-2.8 -2,-0.6 2,-0.4 -0.959 5.4-164.3-117.9 121.6 -1.7 70.4 18.2 7 10 A V E -ab 92 127A 0 119,-2.4 121,-2.8 -2,-0.5 2,-0.5 -0.937 8.0-152.3-110.6 139.1 1.0 72.2 20.3 8 11 A L E +ab 93 128A 0 84,-3.2 86,-2.2 -2,-0.4 2,-0.3 -0.964 24.4 164.4-108.0 122.3 1.7 71.6 24.0 9 12 A E E + b 0 129A 0 119,-3.1 121,-2.9 -2,-0.5 2,-0.3 -0.821 13.1 119.3-124.9 168.3 3.1 74.6 26.0 10 13 A G E - b 0 130A 2 119,-0.3 121,-0.2 -2,-0.3 3,-0.1 -0.899 53.5 -44.1 156.8 172.5 3.4 75.2 29.7 11 14 A V S > S- 0 0 23 119,-1.7 3,-2.5 -2,-0.3 4,-0.3 -0.233 75.2 -70.8 -72.0 162.1 5.3 75.8 32.9 12 15 A D T 3 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.1 131,-0.0 -0.169 119.2 1.9 -57.2 129.3 8.4 73.9 33.8 13 16 A R T 3 S+ 0 0 54 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.644 89.6 130.8 65.7 19.5 7.8 70.3 34.7 14 17 A A S < S- 0 0 3 -3,-2.5 -2,-0.1 116,-0.1 -1,-0.1 0.755 84.2 -99.3 -72.5 -24.3 4.2 70.8 34.0 15 18 A G S > S+ 0 0 16 -4,-0.3 4,-3.2 -5,-0.1 5,-0.3 0.637 72.5 144.8 115.8 28.0 4.3 67.6 31.8 16 19 A K H > S+ 0 0 12 -5,-0.3 4,-1.9 2,-0.2 5,-0.1 0.846 80.4 40.5 -53.9 -55.1 4.6 68.8 28.2 17 20 A S H > S+ 0 0 50 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.917 117.1 48.1 -65.1 -40.3 6.9 65.9 27.2 18 21 A T H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.945 116.1 42.6 -65.1 -48.4 5.0 63.3 29.2 19 22 A Q H X S+ 0 0 5 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.821 112.0 55.3 -70.7 -29.4 1.5 64.4 27.9 20 23 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.926 110.8 44.9 -66.1 -47.6 2.8 64.8 24.3 21 24 A R H X S+ 0 0 139 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 115.9 46.2 -55.8 -49.8 4.2 61.2 24.3 22 25 A K H X S+ 0 0 40 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.824 109.4 55.4 -65.1 -35.3 1.0 59.8 25.8 23 26 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.933 107.3 47.3 -66.7 -41.8 -1.3 61.8 23.5 24 27 A V H X S+ 0 0 20 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.936 112.8 51.1 -66.9 -34.6 0.3 60.4 20.3 25 28 A E H X S+ 0 0 128 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.892 112.6 45.5 -62.0 -48.3 0.1 56.9 21.8 26 29 A A H X S+ 0 0 18 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.827 112.2 50.8 -61.6 -45.7 -3.6 57.4 22.6 27 30 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 3,-0.6 0.912 112.1 46.8 -58.8 -47.4 -4.4 58.9 19.2 28 31 A C H ><5S+ 0 0 61 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.872 109.0 54.5 -62.1 -35.1 -2.8 56.0 17.4 29 32 A A H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.718 106.1 54.4 -72.5 -16.3 -4.5 53.5 19.6 30 33 A A T <<5S- 0 0 59 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.192 127.1 -98.3-103.5 12.7 -7.8 55.1 18.6 31 34 A G T < 5S+ 0 0 68 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.531 80.9 129.9 88.6 8.1 -7.1 54.7 14.9 32 35 A H < - 0 0 49 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.557 61.3-123.3 -82.7 156.0 -5.8 58.2 14.1 33 36 A R + 0 0 143 54,-0.4 56,-2.8 -2,-0.2 2,-0.3 -0.920 50.3 158.3 -93.4 121.6 -2.5 58.7 12.2 34 37 A A E -c 89 0A 8 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.987 21.0-172.1-147.3 148.7 -0.5 60.9 14.7 35 38 A E E -c 90 0A 75 54,-2.0 56,-2.4 -2,-0.3 2,-0.4 -0.973 21.8-119.0-144.0 153.8 3.1 61.7 15.2 36 39 A L E +c 91 0A 51 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.689 27.4 174.7-100.1 133.8 5.2 63.5 17.7 37 40 A L E -c 92 0A 16 54,-2.6 56,-2.4 -2,-0.4 2,-0.3 -0.871 8.1-167.3-126.1 156.3 7.4 66.6 17.0 38 41 A R E -c 93 0A 86 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.987 18.3-108.3-144.7 152.0 9.3 68.7 19.5 39 42 A F S S+ 0 0 8 54,-2.6 2,-0.1 -2,-0.3 30,-0.0 -0.989 100.9 39.2-129.0 134.7 11.1 72.1 19.5 40 43 A P S S- 0 0 19 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.541 81.2-156.4 -71.0 152.6 13.9 72.6 19.6 41 44 A E > - 0 0 29 1,-0.2 3,-0.9 -2,-0.1 6,-0.2 -0.840 10.6-167.6 -96.8 102.4 14.5 69.6 17.3 42 45 A R T 3 + 0 0 87 -2,-1.0 9,-0.2 1,-0.2 -1,-0.2 0.438 66.2 79.1 -77.3 -1.6 18.1 69.0 18.4 43 46 A S T 3 S+ 0 0 78 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.662 77.4 78.3 -83.4 -16.9 19.1 66.6 15.6 44 47 A T S <> S- 0 0 28 -3,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.260 96.7-100.1 -84.8 176.4 19.7 69.1 12.8 45 48 A E H > S+ 0 0 170 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.951 129.4 43.0 -61.0 -39.7 22.8 71.3 12.3 46 49 A I H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 110.3 56.9 -72.8 -37.9 20.9 74.1 13.8 47 50 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 103.8 53.4 -58.3 -41.6 19.5 71.9 16.5 48 51 A K H X S+ 0 0 133 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.871 107.2 51.0 -62.0 -39.0 23.0 70.9 17.6 49 52 A L H X S+ 0 0 92 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.930 112.5 46.9 -62.9 -47.7 24.0 74.5 18.0 50 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 110.6 51.7 -62.5 -38.9 20.9 75.1 20.1 51 54 A S H X S+ 0 0 18 -4,-2.6 4,-1.9 2,-0.2 6,-0.2 0.939 108.6 50.1 -63.9 -46.5 21.5 72.0 22.2 52 55 A S H <>S+ 0 0 34 -4,-2.6 5,-2.5 1,-0.2 6,-1.0 0.900 112.1 49.8 -57.9 -38.5 25.0 73.0 23.0 53 56 A Y H ><5S+ 0 0 7 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.933 108.5 50.0 -65.5 -49.8 23.7 76.4 24.1 54 57 A L H 3<5S+ 0 0 13 -4,-2.5 93,-2.8 1,-0.3 -1,-0.2 0.805 109.9 53.7 -60.3 -26.8 21.0 75.1 26.4 55 58 A Q T 3<5S- 0 0 73 -4,-1.9 -1,-0.3 91,-0.2 -2,-0.2 0.404 112.7-119.4 -87.7 3.2 23.7 72.8 28.0 56 59 A K T < 5S+ 0 0 119 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.750 82.4 122.5 64.6 21.2 26.0 75.8 28.7 57 60 A K S - 0 0 108 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.298 38.5-119.8 -58.7 137.4 24.4 86.1 21.4 62 65 A D H > S+ 0 0 64 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.741 109.7 44.7 -52.9 -47.6 20.8 86.5 22.5 63 66 A H H > S+ 0 0 78 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.891 114.8 49.6 -64.7 -48.0 19.3 87.7 19.2 64 67 A S H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.945 110.0 49.9 -58.1 -39.4 21.2 85.1 17.2 65 68 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 109.2 52.8 -72.4 -32.7 20.1 82.3 19.5 66 69 A H H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.940 110.0 47.9 -65.9 -39.6 16.4 83.5 19.1 67 70 A L H X S+ 0 0 81 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.852 109.7 52.4 -70.2 -36.7 16.7 83.4 15.4 68 71 A L H X S+ 0 0 35 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.900 106.8 54.0 -60.2 -43.7 18.2 79.9 15.4 69 72 A F H X S+ 0 0 21 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.946 113.2 42.1 -58.5 -36.3 15.3 78.7 17.5 70 73 A S H >X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 3,-0.7 0.897 111.5 54.5 -78.9 -37.7 12.9 80.1 14.9 71 74 A A H 3X S+ 0 0 38 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.893 102.4 59.5 -61.4 -30.7 15.0 78.8 12.0 72 75 A N H 3< S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 -1,-0.3 0.804 107.8 45.0 -66.9 -35.7 14.8 75.3 13.6 73 76 A R H X< S+ 0 0 5 -4,-0.8 3,-1.7 -3,-0.7 4,-0.4 0.934 111.0 52.4 -70.3 -53.5 11.0 75.5 13.3 74 77 A W H >< S+ 0 0 97 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.828 100.8 61.2 -54.3 -39.0 11.1 76.8 9.7 75 78 A E T 3< S+ 0 0 75 -4,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.751 106.7 47.0 -61.8 -18.1 13.4 73.9 8.6 76 79 A Q T <> S+ 0 0 31 -3,-1.7 4,-2.8 -4,-0.4 -1,-0.3 0.436 86.4 93.7 -97.3 -1.3 10.6 71.5 9.7 77 80 A V H <> S+ 0 0 9 -3,-1.8 4,-2.8 -4,-0.4 5,-0.2 0.877 82.4 51.1 -62.7 -45.2 7.8 73.4 7.9 78 81 A P H > S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.947 114.8 44.9 -55.5 -40.7 7.9 71.4 4.6 79 82 A L H > S+ 0 0 63 -4,-0.3 4,-3.3 1,-0.2 5,-0.3 0.895 112.6 51.1 -66.4 -46.8 7.7 68.2 6.6 80 83 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.953 113.0 44.8 -56.1 -48.7 4.9 69.6 8.8 81 84 A K H X S+ 0 0 116 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.896 113.6 50.3 -64.0 -39.0 2.8 70.7 5.8 82 85 A E H X S+ 0 0 94 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.950 112.3 46.9 -65.3 -47.3 3.4 67.4 4.0 83 86 A K H ><>S+ 0 0 44 -4,-3.3 5,-2.4 1,-0.2 3,-0.6 0.909 113.3 46.9 -62.5 -46.3 2.4 65.4 7.0 84 87 A L H ><5S+ 0 0 2 -4,-2.6 -81,-2.4 1,-0.3 3,-1.7 0.902 110.5 53.2 -62.8 -40.2 -0.8 67.4 7.8 85 88 A S H 3<5S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.763 104.4 56.6 -64.4 -25.6 -1.8 67.3 4.1 86 89 A Q T <<5S- 0 0 87 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.250 126.5-101.0 -84.1 1.5 -1.4 63.5 4.2 87 90 A G T < 5S+ 0 0 23 -3,-1.7 2,-0.5 1,-0.3 -54,-0.4 0.603 76.4 141.7 89.2 10.2 -3.9 63.3 7.1 88 91 A V < - 0 0 0 -5,-2.4 2,-0.3 -6,-0.2 -85,-0.3 -0.762 45.0-140.6 -88.4 123.4 -1.4 63.0 9.9 89 92 A T E - c 0 34A 3 -56,-2.8 -54,-2.0 -2,-0.5 2,-0.5 -0.713 16.9-147.3 -80.3 136.4 -2.1 64.8 13.1 90 93 A L E -ac 5 35A 2 -86,-2.7 -84,-3.3 -2,-0.3 2,-0.5 -0.942 9.5-162.3-112.9 127.8 1.0 66.4 14.7 91 94 A V E -ac 6 36A 0 -56,-2.4 -54,-2.6 -2,-0.5 2,-0.5 -0.891 16.5-161.6-103.7 122.4 1.5 66.7 18.4 92 95 A V E -ac 7 37A 0 -86,-2.8 -84,-3.2 -2,-0.5 2,-1.0 -0.942 16.3-147.8-119.7 123.2 4.2 69.3 19.1 93 96 A D E S-ac 8 38A 20 -56,-2.4 -54,-2.6 -2,-0.5 -84,-0.1 -0.766 79.9 -15.0 -90.3 104.4 6.1 69.6 22.4 94 97 A R S S+ 0 0 45 -86,-2.2 2,-0.2 -2,-1.0 -85,-0.1 0.483 72.9 177.1 71.5 148.2 6.8 73.3 22.5 95 98 A Y >> - 0 0 2 -57,-0.1 4,-1.4 -88,-0.1 3,-0.5 -0.526 55.5 -39.5-150.1-147.8 6.5 75.7 19.5 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.728 124.9 66.8 -63.6 -27.5 6.9 79.4 18.7 97 100 A F H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.924 101.8 46.6 -60.7 -47.6 5.2 80.4 22.0 98 101 A S H <> S+ 0 0 9 -3,-0.5 4,-2.2 2,-0.2 5,-0.3 0.851 110.0 56.7 -57.1 -37.8 8.2 79.0 24.0 99 102 A G H X S+ 0 0 7 -4,-1.4 4,-1.6 1,-0.2 5,-0.3 0.945 113.4 37.6 -62.5 -40.9 10.4 80.9 21.5 100 103 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.878 117.5 50.6 -78.4 -39.9 8.8 84.2 22.3 101 104 A A H X S+ 0 0 0 -4,-3.0 4,-0.5 2,-0.2 59,-0.2 0.807 112.2 45.9 -67.4 -37.6 8.3 83.6 26.0 102 105 A F H < S+ 0 0 23 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.884 121.8 35.4 -73.8 -45.9 12.0 82.5 26.7 103 106 A T H >< S+ 0 0 2 -4,-1.6 3,-2.3 -5,-0.3 -2,-0.2 0.926 113.8 59.9 -72.5 -34.8 13.6 85.3 24.7 104 107 A G H 3< S+ 0 0 11 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.728 96.9 62.3 -67.2 -17.1 10.9 87.8 25.8 105 108 A A T 3< S+ 0 0 2 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.548 87.4 89.4 -81.2 -14.0 11.9 87.1 29.4 106 109 A K S X S- 0 0 21 -3,-2.3 3,-0.8 -4,-0.2 2,-0.0 -0.538 95.5 -85.8 -81.8 156.0 15.4 88.5 28.8 107 110 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.352 106.1 10.7 -64.8 139.1 16.0 92.2 29.3 108 111 A N T 3 S+ 0 0 149 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.844 88.1 123.4 65.8 42.4 15.3 94.5 26.4 109 112 A F < - 0 0 21 -3,-0.8 -1,-0.2 -5,-0.3 2,-0.1 -0.942 49.9-146.6-133.1 101.1 13.5 92.2 24.1 110 113 A S > - 0 0 68 -2,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.390 18.6-125.3 -65.1 156.1 10.0 93.3 23.0 111 114 A L H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.933 112.3 55.1 -66.1 -39.8 7.2 90.7 22.4 112 115 A D H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.916 108.6 46.1 -60.0 -46.0 6.7 92.2 18.9 113 116 A W H 4 S+ 0 0 92 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.908 112.9 51.6 -61.1 -45.4 10.4 91.7 18.0 114 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.818 108.5 50.7 -61.2 -34.5 10.4 88.2 19.3 115 118 A K H >X S+ 0 0 49 -4,-2.0 3,-1.2 -3,-0.3 4,-0.7 0.778 89.6 80.3 -74.0 -31.9 7.4 87.2 17.4 116 119 A Q G >< S+ 0 0 91 -4,-1.3 3,-1.3 -3,-0.4 -1,-0.2 0.795 84.0 56.2 -48.6 -49.5 8.4 88.3 14.0 117 120 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.869 111.4 46.3 -54.3 -28.4 10.7 85.5 12.9 118 121 A D G X4 S+ 0 0 0 -3,-1.2 3,-2.3 -4,-0.3 89,-0.2 0.519 80.8 121.8 -95.5 -1.7 7.8 83.0 13.5 119 122 A V T << S+ 0 0 36 -3,-1.3 89,-0.2 -4,-0.7 90,-0.1 -0.367 76.5 26.8 -60.9 134.8 5.2 85.0 11.7 120 123 A G T 3 S+ 0 0 17 87,-2.8 -1,-0.3 1,-0.3 3,-0.1 0.346 86.4 135.5 101.0 -19.3 3.8 82.8 8.9 121 124 A L S < S- 0 0 0 -3,-2.3 86,-3.5 86,-0.3 -1,-0.3 -0.310 75.1 -74.3 -63.3 163.3 4.5 79.4 10.5 122 125 A P E -E 206 0B 2 0, 0.0 84,-0.3 0, 0.0 -1,-0.2 -0.300 56.1-125.4 -51.8 136.7 1.8 76.8 10.3 123 126 A K E -E 205 0B 52 82,-2.1 82,-0.5 -3,-0.1 -118,-0.2 -0.719 20.7-120.0 -90.1 133.4 -0.8 77.9 12.8 124 127 A P - 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