==== 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 22-MAY-00 1E2D . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,I.SCHLICHTING,R.BRUNDIERS,M.KONRAD,J.REINSTEIN, . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 74.6 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.9 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 0 219 0, 0.0 199,-0.1 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 100.1 -8.7 65.7 5.0 2 5 A R - 0 0 37 198,-0.2 83,-0.2 197,-0.2 82,-0.1 -0.295 360.0-114.6 -68.3 156.9 -5.7 67.4 6.6 3 6 A G - 0 0 3 81,-2.4 2,-0.3 85,-0.3 86,-0.2 -0.240 32.2-108.9 -78.7 167.4 -4.3 66.6 9.9 4 7 A A - 0 0 0 83,-0.2 86,-2.5 188,-0.0 2,-0.6 -0.776 16.3-135.0 -96.4 155.6 -4.3 69.0 12.8 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.8 118,-0.2 121,-1.2 -0.933 28.4-176.7-111.0 110.1 -1.3 70.9 14.2 6 9 A I E -ab 91 126A 0 84,-3.0 86,-3.3 -2,-0.6 2,-0.4 -0.939 5.4-164.5-117.8 124.2 -1.4 70.7 18.0 7 10 A V E -ab 92 127A 0 119,-2.6 121,-3.0 -2,-0.5 2,-0.5 -0.933 7.9-152.9-112.1 142.1 1.1 72.4 20.2 8 11 A L E +ab 93 128A 0 84,-3.1 86,-2.4 -2,-0.4 2,-0.3 -0.937 23.2 162.9-113.2 126.8 1.8 71.8 23.8 9 12 A E E + b 0 129A 0 119,-3.0 121,-2.8 -2,-0.5 2,-0.3 -0.806 12.4 130.5-129.0 169.3 3.3 74.7 25.8 10 13 A G E - b 0 130A 2 119,-0.3 121,-0.2 -2,-0.3 3,-0.1 -0.896 52.6 -57.7 161.1 171.0 3.4 75.1 29.6 11 14 A V S > S- 0 0 25 119,-1.9 3,-2.4 -2,-0.3 4,-0.3 -0.233 75.2 -66.0 -75.2 163.9 5.4 75.9 32.7 12 15 A D T 3 S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.1 137,-0.0 -0.275 119.6 2.1 -54.7 134.2 8.5 73.9 33.6 13 16 A R T 3 S+ 0 0 54 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.472 89.1 126.5 68.8 7.8 7.8 70.3 34.6 14 17 A A S < S- 0 0 3 -3,-2.4 -2,-0.1 116,-0.2 -1,-0.1 0.757 86.8 -98.8 -66.5 -24.7 4.1 70.7 33.8 15 18 A G S > S+ 0 0 15 -4,-0.3 4,-3.1 115,-0.1 5,-0.4 0.642 70.4 147.5 117.4 27.6 4.4 67.7 31.6 16 19 A K H > S+ 0 0 13 -5,-0.3 4,-2.1 1,-0.2 5,-0.2 0.910 82.5 39.0 -55.8 -47.5 4.8 68.9 28.0 17 20 A S H > S+ 0 0 50 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.946 117.2 49.0 -72.9 -40.2 6.9 66.0 26.9 18 21 A T H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.950 117.1 41.8 -61.1 -50.2 5.1 63.4 28.9 19 22 A Q H X S+ 0 0 5 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.844 111.1 54.4 -70.5 -32.2 1.8 64.5 27.6 20 23 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.4 -1,-0.2 0.948 111.5 46.9 -68.2 -38.7 2.9 65.0 24.0 21 24 A R H X S+ 0 0 134 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 114.7 45.2 -63.3 -47.8 4.2 61.4 24.0 22 25 A K H X S+ 0 0 38 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.815 110.1 55.5 -67.2 -32.5 1.1 60.0 25.5 23 26 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.967 108.9 46.6 -66.6 -44.1 -1.2 62.0 23.2 24 27 A V H X S+ 0 0 19 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.945 113.2 49.9 -63.7 -39.8 0.5 60.6 20.1 25 28 A E H X S+ 0 0 129 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 113.8 45.2 -63.2 -43.0 0.3 57.1 21.5 26 29 A A H X S+ 0 0 20 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.881 111.2 51.4 -70.7 -37.9 -3.4 57.5 22.3 27 30 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.6 0.902 111.1 48.6 -67.3 -38.9 -4.3 59.1 19.0 28 31 A C H ><5S+ 0 0 62 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.857 108.4 53.4 -68.8 -33.4 -2.6 56.3 17.0 29 32 A A H 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.643 105.4 56.5 -72.0 -17.3 -4.3 53.6 19.1 30 33 A A T <<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.082 128.6 -95.0-100.6 24.1 -7.6 55.3 18.3 31 34 A G T < 5S+ 0 0 71 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.454 83.3 129.0 85.5 -2.2 -7.0 55.0 14.5 32 35 A H < - 0 0 46 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.619 60.4-126.9 -82.9 157.8 -5.6 58.4 13.9 33 36 A R + 0 0 147 54,-0.4 56,-3.0 -2,-0.2 2,-0.4 -0.907 48.3 159.3 -98.7 115.3 -2.3 59.0 12.0 34 37 A A E -c 89 0A 8 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.997 21.3-170.1-144.5 143.6 -0.4 61.1 14.4 35 38 A E E -c 90 0A 73 54,-2.6 56,-2.6 -2,-0.4 2,-0.4 -0.958 20.0-121.6-135.8 152.8 3.3 61.9 14.9 36 39 A L E +c 91 0A 53 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.791 28.0 171.8 -97.1 137.6 5.4 63.7 17.5 37 40 A L E -c 92 0A 18 54,-2.7 56,-2.4 -2,-0.4 2,-0.3 -0.891 7.7-169.1-132.7 161.7 7.6 66.7 16.9 38 41 A R E -c 93 0A 86 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.978 19.6-106.6-149.8 155.6 9.5 68.9 19.4 39 42 A F S S+ 0 0 9 54,-2.4 2,-0.2 -2,-0.3 30,-0.0 -0.994 99.8 43.8-132.1 136.8 11.4 72.2 19.3 40 43 A P S S- 0 0 19 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.523 79.6-156.6 -69.6 153.7 14.2 72.7 19.5 41 44 A E > - 0 0 28 -2,-0.2 3,-0.8 1,-0.1 6,-0.2 -0.901 11.4-171.6 -98.7 98.7 14.8 69.9 17.0 42 45 A R T 3 + 0 0 106 -2,-0.9 9,-0.1 1,-0.2 -1,-0.1 0.424 64.6 81.2 -80.8 0.5 18.4 69.2 18.1 43 46 A S T 3 S+ 0 0 82 4,-0.2 -1,-0.2 5,-0.1 2,-0.1 0.651 78.8 76.0 -81.5 -14.3 19.2 66.7 15.3 44 47 A T S <> S- 0 0 27 -3,-0.8 4,-2.7 1,-0.1 5,-0.2 -0.401 97.0 -99.6 -92.5 174.3 19.9 69.3 12.6 45 48 A E H > S+ 0 0 170 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.922 128.9 41.8 -56.6 -46.8 23.0 71.5 12.2 46 49 A I H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.937 111.0 57.5 -65.9 -40.2 21.2 74.4 13.7 47 50 A G H > S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.859 103.4 53.4 -60.3 -35.2 19.7 72.0 16.4 48 51 A K H X S+ 0 0 132 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.852 107.8 50.1 -68.0 -36.9 23.2 71.0 17.5 49 52 A L H X S+ 0 0 93 -4,-1.3 4,-2.2 -3,-0.5 -2,-0.2 0.924 113.1 46.8 -63.5 -45.1 24.2 74.7 18.0 50 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.843 110.6 52.1 -64.6 -39.4 21.1 75.2 20.0 51 54 A S H X S+ 0 0 18 -4,-2.4 4,-1.6 -5,-0.2 6,-0.2 0.942 109.7 48.7 -63.6 -44.3 21.6 72.0 22.1 52 55 A S H <>S+ 0 0 33 -4,-2.2 5,-2.6 1,-0.2 6,-0.9 0.935 111.8 50.9 -59.7 -44.7 25.2 73.1 22.9 53 56 A Y H ><5S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.933 110.3 47.5 -56.1 -51.2 23.9 76.5 23.9 54 57 A L H 3<5S+ 0 0 19 -4,-2.4 93,-3.6 1,-0.3 -1,-0.2 0.766 111.1 51.3 -64.4 -27.3 21.2 75.1 26.2 55 58 A Q T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.417 114.5-120.1 -84.8 -4.6 23.7 72.8 27.8 56 59 A K T < 5S+ 0 0 120 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.718 79.1 126.0 67.8 26.2 26.0 75.7 28.4 57 60 A K S - 0 0 111 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.322 38.8-117.6 -57.9 136.4 24.6 86.2 21.4 62 65 A D H > S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.778 110.9 44.0 -54.3 -39.4 21.0 86.6 22.5 63 66 A H H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.884 113.9 51.6 -70.5 -46.5 19.6 87.8 19.2 64 67 A S H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.942 110.7 47.2 -53.2 -46.4 21.6 85.3 17.2 65 68 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.867 109.1 55.0 -70.2 -32.9 20.3 82.4 19.4 66 69 A H H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.934 109.9 46.6 -60.9 -44.7 16.7 83.7 19.1 67 70 A L H X S+ 0 0 82 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.877 109.6 54.0 -68.5 -35.6 16.9 83.6 15.3 68 71 A L H X S+ 0 0 33 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.927 106.2 52.5 -63.3 -40.9 18.5 80.1 15.3 69 72 A F H X S+ 0 0 22 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.911 113.4 44.3 -59.3 -39.3 15.5 78.8 17.4 70 73 A S H >X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 3,-0.9 0.930 111.6 51.8 -70.4 -44.7 13.2 80.3 14.8 71 74 A A H 3X S+ 0 0 35 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.834 103.0 60.4 -58.7 -36.6 15.2 79.0 11.9 72 75 A N H 3< S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.716 108.2 45.1 -66.4 -27.2 15.1 75.5 13.5 73 76 A R H X< S+ 0 0 5 -3,-0.9 3,-1.5 -4,-0.8 4,-0.3 0.894 110.3 53.1 -75.2 -48.5 11.3 75.8 13.2 74 77 A W H >< S+ 0 0 94 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.880 101.5 59.7 -55.5 -38.8 11.4 77.0 9.6 75 78 A E T 3< S+ 0 0 72 -4,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.738 105.7 48.9 -66.9 -20.3 13.6 74.2 8.5 76 79 A Q T <> S+ 0 0 34 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.3 0.360 86.6 93.2 -94.0 -1.0 10.9 71.7 9.5 77 80 A V H <> S+ 0 0 10 -3,-1.9 4,-3.0 -4,-0.3 5,-0.3 0.921 81.1 52.8 -62.0 -43.9 8.1 73.7 7.7 78 81 A P H > S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.960 113.9 44.7 -56.8 -44.5 8.3 71.7 4.5 79 82 A L H > S+ 0 0 57 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.903 112.5 51.3 -65.5 -44.7 7.9 68.5 6.5 80 83 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.930 112.7 44.6 -57.9 -49.4 5.1 69.9 8.7 81 84 A K H X S+ 0 0 119 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.904 113.2 52.2 -64.8 -33.9 3.1 71.0 5.7 82 85 A E H X S+ 0 0 104 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.950 112.2 44.4 -65.9 -48.6 3.7 67.7 3.9 83 86 A K H <>S+ 0 0 45 -4,-3.0 5,-2.5 2,-0.2 3,-0.5 0.914 113.8 49.1 -61.1 -50.1 2.5 65.6 6.8 84 87 A L H ><5S+ 0 0 2 -4,-2.6 -81,-2.4 1,-0.2 3,-2.0 0.945 109.7 51.6 -56.2 -44.6 -0.5 67.7 7.6 85 88 A S H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.763 105.4 57.5 -64.7 -21.8 -1.6 67.7 3.9 86 89 A Q T 3<5S- 0 0 91 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.368 125.3-102.1 -85.1 -2.4 -1.3 63.9 4.0 87 90 A G T < 5S+ 0 0 21 -3,-2.0 2,-0.5 1,-0.3 -54,-0.4 0.539 76.7 140.2 94.9 16.1 -3.8 63.7 6.9 88 91 A V < - 0 0 1 -5,-2.5 -85,-0.3 -6,-0.2 2,-0.3 -0.767 46.3-140.2 -93.7 125.2 -1.2 63.2 9.6 89 92 A T E - c 0 34A 3 -56,-3.0 -54,-2.6 -2,-0.5 2,-0.5 -0.686 16.1-148.0 -82.4 137.1 -1.9 65.1 12.9 90 93 A L E -ac 5 35A 1 -86,-2.5 -84,-3.0 -2,-0.3 2,-0.6 -0.958 7.9-161.2-112.8 126.8 1.3 66.6 14.4 91 94 A V E -ac 6 36A 0 -56,-2.6 -54,-2.7 -2,-0.5 2,-0.5 -0.948 16.7-161.0-107.3 113.3 1.7 66.9 18.2 92 95 A V E -ac 7 37A 0 -86,-3.3 -84,-3.1 -2,-0.6 2,-1.0 -0.926 17.5-147.5-113.3 123.9 4.4 69.4 19.0 93 96 A D E S-ac 8 38A 20 -56,-2.4 -54,-2.4 -2,-0.5 -84,-0.1 -0.733 80.3 -17.1 -87.8 96.0 6.3 69.8 22.2 94 97 A R S S+ 0 0 54 -86,-2.4 2,-0.2 -2,-1.0 -85,-0.1 0.420 72.0 177.3 75.1 148.2 7.0 73.5 22.3 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.6 -88,-0.1 3,-0.6 -0.608 55.9 -38.3-150.2-145.3 6.8 75.9 19.3 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.754 124.7 66.8 -65.9 -22.1 7.2 79.6 18.5 97 100 A F H 3> S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 102.4 45.6 -67.7 -40.4 5.5 80.6 21.8 98 101 A S H <> S+ 0 0 11 -3,-0.6 4,-2.5 1,-0.2 5,-0.4 0.931 110.4 57.4 -65.1 -40.6 8.4 79.2 23.8 99 102 A G H X S+ 0 0 8 -4,-1.6 4,-1.6 1,-0.2 5,-0.3 0.927 112.5 38.4 -52.1 -53.3 10.6 81.0 21.3 100 103 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.924 116.7 50.8 -68.5 -42.4 9.0 84.4 22.1 101 104 A A H X S+ 0 0 0 -4,-2.9 4,-0.9 -5,-0.2 59,-0.2 0.862 110.2 46.8 -64.1 -41.9 8.7 83.8 25.8 102 105 A F H < S+ 0 0 22 -4,-2.5 3,-0.4 -5,-0.2 4,-0.2 0.950 120.6 36.9 -72.1 -40.8 12.2 82.7 26.6 103 106 A T H >< S+ 0 0 3 -4,-1.6 3,-2.1 -5,-0.4 -2,-0.2 0.914 113.7 59.5 -75.8 -34.1 13.9 85.5 24.6 104 107 A G H 3< S+ 0 0 11 -4,-2.3 5,-0.3 -5,-0.3 -1,-0.2 0.718 96.9 61.1 -63.1 -24.7 11.1 87.9 25.8 105 108 A A T 3< S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.4 2,-0.2 0.546 89.0 88.9 -76.7 -17.7 12.2 87.2 29.4 106 109 A K S X S- 0 0 22 -3,-2.1 3,-0.9 -4,-0.2 2,-0.0 -0.601 94.1 -90.5 -79.9 155.3 15.6 88.6 28.7 107 110 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.337 104.1 14.9 -67.1 142.4 16.2 92.3 29.2 108 111 A N T 3 S+ 0 0 154 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.762 89.7 120.2 70.0 28.0 15.7 94.7 26.2 109 112 A F < - 0 0 21 -3,-0.9 -1,-0.2 -5,-0.3 2,-0.1 -0.959 51.1-149.3-122.4 116.5 13.8 92.3 24.0 110 113 A S > - 0 0 62 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.448 21.6-124.0 -78.6 153.7 10.3 93.4 23.0 111 114 A L H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 112.4 58.3 -63.0 -36.7 7.6 90.8 22.4 112 115 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.935 107.5 43.1 -56.3 -53.5 7.2 92.4 18.9 113 116 A W H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.899 114.2 53.1 -59.8 -40.4 10.8 91.9 17.9 114 117 A C H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.862 108.7 49.5 -67.4 -30.2 10.7 88.4 19.3 115 118 A K H >X S+ 0 0 53 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.835 91.1 79.3 -74.9 -35.7 7.6 87.4 17.3 116 119 A Q G >< S+ 0 0 91 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.805 84.8 55.4 -49.0 -50.4 8.7 88.6 13.9 117 120 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.889 111.9 46.7 -55.4 -30.5 11.0 85.7 12.8 118 121 A D G X4 S+ 0 0 0 -3,-1.1 3,-2.1 -4,-0.4 2,-0.2 0.454 80.2 122.1 -92.8 -1.0 8.2 83.2 13.4 119 122 A V T << S+ 0 0 38 -3,-1.7 89,-0.2 -4,-0.5 88,-0.1 -0.439 77.2 25.9 -61.1 130.2 5.5 85.3 11.6 120 123 A G T 3 S+ 0 0 15 87,-2.9 -1,-0.2 1,-0.3 3,-0.1 0.357 84.8 138.3 101.7 -12.6 4.1 83.0 8.9 121 124 A L S < S- 0 0 0 -3,-2.1 86,-3.8 86,-0.2 -1,-0.3 -0.206 74.1 -73.8 -60.6 159.7 4.9 79.6 10.4 122 125 A P B -E 206 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.332 58.5-121.8 -54.0 128.3 2.2 77.0 10.1 123 126 A K - 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