==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-00 1E2G . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,I.SCHLICHTING,R.BRUNDIERS,M.KONRAD,J.REINSTEIN,T . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.5 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1 1 0 0 0 2 1 0 0 1 2 0 0 0 1 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 . 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 0 214 0, 0.0 197,-0.1 0, 0.0 196,-0.0 0.000 360.0 360.0 360.0 131.3 -9.1 65.8 5.0 2 5 A R - 0 0 37 195,-0.4 83,-0.2 1,-0.1 82,-0.1 -0.294 360.0-109.9 -73.0 159.5 -5.9 67.4 6.3 3 6 A G - 0 0 3 81,-2.2 2,-0.3 85,-0.3 86,-0.2 -0.344 35.5-105.7 -78.1 168.1 -4.4 66.6 9.7 4 7 A A - 0 0 0 83,-0.2 86,-2.7 -2,-0.1 2,-0.7 -0.706 16.8-135.0 -95.3 149.9 -4.5 69.0 12.7 5 8 A L E -a 90 0A 0 -2,-0.3 120,-2.4 84,-0.2 121,-1.2 -0.930 29.7-178.0-105.4 106.1 -1.6 71.0 13.9 6 9 A I E -ab 91 126A 0 84,-3.0 86,-3.0 -2,-0.7 2,-0.4 -0.952 5.8-165.5-114.2 126.3 -1.7 70.7 17.7 7 10 A V E -ab 92 127A 0 119,-2.6 121,-3.4 -2,-0.5 2,-0.5 -0.929 8.7-154.4-112.8 137.2 0.9 72.5 19.9 8 11 A L E +ab 93 128A 0 84,-2.7 86,-2.1 -2,-0.4 2,-0.3 -0.939 22.1 173.7-108.1 128.6 1.7 72.0 23.6 9 12 A E E + b 0 129A 0 119,-3.1 121,-3.0 -2,-0.5 2,-0.2 -0.824 14.4 118.8-129.7 166.4 3.2 74.9 25.5 10 13 A G - 0 0 0 -2,-0.3 3,-0.1 119,-0.2 121,-0.1 -0.780 61.2 -68.1 153.2 164.6 4.1 75.7 29.1 11 14 A V S > S- 0 0 3 119,-0.4 3,-1.5 -2,-0.2 5,-0.3 -0.082 76.0 -63.3 -68.6 176.9 7.1 76.5 31.2 12 15 A D T 3 S+ 0 0 25 1,-0.2 -1,-0.2 133,-0.1 133,-0.0 -0.323 125.0 18.9 -63.6 144.6 9.8 73.9 31.8 13 16 A R T 3 S+ 0 0 131 -3,-0.1 -1,-0.2 1,-0.1 127,-0.1 0.573 83.1 124.8 72.6 15.4 8.5 70.9 33.7 14 17 A A S < S- 0 0 1 -3,-1.5 -2,-0.1 -4,-0.0 -1,-0.1 0.640 88.4-101.3 -74.3 -15.9 4.9 71.6 32.9 15 18 A G S > S+ 0 0 18 -4,-0.2 4,-2.8 -5,-0.1 5,-0.3 0.565 76.9 139.3 105.8 13.4 4.5 68.1 31.4 16 19 A K H > S+ 0 0 10 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.905 74.6 40.8 -54.7 -50.8 4.8 69.0 27.7 17 20 A S H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 116.2 50.1 -70.9 -40.3 6.9 66.1 26.5 18 21 A T H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.959 116.3 42.1 -63.4 -45.7 5.1 63.6 28.7 19 22 A Q H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.850 112.1 53.3 -70.3 -34.2 1.7 64.7 27.4 20 23 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.958 111.6 46.8 -65.9 -42.9 2.9 65.1 23.8 21 24 A R H X S+ 0 0 137 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 114.9 45.8 -61.8 -45.0 4.1 61.5 23.8 22 25 A K H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.783 110.5 54.4 -66.5 -37.5 0.9 60.2 25.5 23 26 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.941 108.7 46.5 -63.9 -48.0 -1.3 62.1 23.1 24 27 A V H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.950 113.1 51.4 -59.2 -41.3 0.3 60.7 20.0 25 28 A E H X S+ 0 0 131 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.915 113.1 43.9 -59.4 -49.5 0.1 57.2 21.5 26 29 A A H X S+ 0 0 20 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.880 112.7 50.5 -66.7 -40.4 -3.6 57.5 22.3 27 30 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.8 0.948 112.5 47.4 -63.5 -44.5 -4.6 59.1 19.0 28 31 A C H ><5S+ 0 0 59 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 0.897 109.3 53.6 -61.8 -38.9 -2.8 56.4 17.0 29 32 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.724 106.2 54.6 -67.3 -24.5 -4.4 53.7 19.2 30 33 A A T <<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.087 128.8 -95.7 -94.1 20.0 -7.8 55.3 18.3 31 34 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.491 81.3 131.8 87.2 -2.3 -7.1 55.0 14.5 32 35 A H < - 0 0 46 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.594 59.7-126.6 -80.1 153.5 -5.7 58.4 13.8 33 36 A R + 0 0 142 54,-0.4 56,-2.8 -2,-0.2 2,-0.3 -0.890 50.2 156.4 -91.9 113.0 -2.5 59.0 11.8 34 37 A A E -c 89 0A 6 -2,-0.8 2,-0.3 54,-0.2 56,-0.2 -0.994 21.7-171.0-140.1 143.8 -0.6 61.2 14.2 35 38 A E E -c 90 0A 77 54,-2.3 56,-2.6 -2,-0.3 2,-0.4 -0.954 21.3-120.3-137.7 151.9 3.1 61.9 14.7 36 39 A L E +c 91 0A 54 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.782 27.4 176.1 -91.5 138.4 5.2 63.7 17.3 37 40 A L E -c 92 0A 17 54,-2.8 56,-2.7 -2,-0.4 2,-0.3 -0.894 8.5-165.0-130.3 155.0 7.4 66.7 16.5 38 41 A R E -c 93 0A 83 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.993 15.9-108.2-140.3 155.3 9.4 68.8 18.9 39 42 A F S S+ 0 0 4 54,-2.4 2,-0.2 -2,-0.3 30,-0.0 -0.997 100.1 37.3-129.2 139.9 11.3 72.2 19.0 40 43 A P S S- 0 0 7 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.554 81.6-156.2 -69.8 154.3 14.0 72.7 19.1 41 44 A E > - 0 0 26 -2,-0.2 3,-1.1 1,-0.1 6,-0.3 -0.889 9.8-170.4 -97.4 97.9 14.6 69.8 16.7 42 45 A R T 3 + 0 0 99 -2,-1.0 -1,-0.1 1,-0.2 9,-0.1 0.442 65.8 84.7 -74.2 -3.9 18.2 69.1 17.7 43 46 A S T 3 S+ 0 0 83 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.781 80.5 78.0 -74.1 -18.0 19.0 66.6 14.9 44 47 A T S <> S- 0 0 23 -3,-1.1 4,-2.6 1,-0.1 5,-0.2 -0.346 94.7-107.2 -88.1 168.4 19.8 69.4 12.4 45 48 A E H > S+ 0 0 158 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.915 124.7 45.1 -56.6 -43.5 23.0 71.5 12.2 46 49 A I H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.938 110.8 53.6 -63.9 -47.5 21.0 74.5 13.6 47 50 A G H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.845 104.0 57.1 -58.1 -32.9 19.6 72.3 16.3 48 51 A K H X S+ 0 0 122 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.878 106.8 47.2 -67.6 -35.2 23.1 71.2 17.3 49 52 A L H X S+ 0 0 100 -4,-1.2 4,-2.6 -3,-0.5 -2,-0.2 0.923 111.6 52.0 -71.6 -39.1 24.2 74.8 17.9 50 53 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.911 109.7 49.3 -61.5 -41.8 21.0 75.3 19.9 51 54 A S H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 6,-0.3 0.929 109.7 50.0 -67.1 -43.8 21.7 72.2 22.0 52 55 A S H <>S+ 0 0 33 -4,-2.3 5,-2.6 1,-0.2 6,-1.1 0.954 112.7 50.0 -58.6 -43.1 25.3 73.3 22.7 53 56 A Y H ><5S+ 0 0 7 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.917 109.9 47.2 -58.0 -51.5 23.9 76.6 23.8 54 57 A L H 3<5S+ 0 0 26 -4,-2.6 90,-1.8 1,-0.3 -1,-0.2 0.802 111.4 52.7 -63.7 -29.0 21.2 75.2 26.1 55 58 A Q T 3<5S- 0 0 82 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.401 113.8-119.0 -84.6 -0.3 23.8 72.9 27.7 56 59 A K T < 5S+ 0 0 127 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.739 81.8 124.0 67.2 21.3 26.1 75.9 28.3 57 60 A K S - 0 0 102 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.414 38.8-119.9 -61.9 138.4 24.5 86.4 21.4 62 65 A D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.737 109.5 47.5 -57.9 -39.0 20.8 86.6 22.4 63 66 A H H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 112.5 50.1 -70.9 -40.7 19.5 87.9 19.1 64 67 A S H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.922 110.7 49.4 -59.5 -46.8 21.4 85.3 17.1 65 68 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.914 109.4 52.4 -61.6 -40.5 20.1 82.5 19.4 66 69 A H H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.915 110.9 46.9 -58.3 -43.8 16.6 83.8 18.9 67 70 A L H X S+ 0 0 82 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.879 109.4 53.7 -69.7 -33.8 16.9 83.7 15.1 68 71 A L H X S+ 0 0 45 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.931 105.8 53.3 -67.5 -40.6 18.4 80.2 15.1 69 72 A F H X S+ 0 0 25 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.908 113.2 44.3 -58.5 -41.8 15.4 78.9 17.2 70 73 A S H >X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 3,-1.0 0.926 110.4 53.1 -68.2 -42.1 13.1 80.3 14.6 71 74 A A H 3X S+ 0 0 36 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.857 102.7 60.5 -61.6 -30.9 15.1 79.1 11.6 72 75 A N H 3< S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -1,-0.3 0.746 106.6 45.9 -66.6 -28.4 14.9 75.7 13.3 73 76 A R H X< S+ 0 0 5 -3,-1.0 3,-1.4 -4,-0.9 4,-0.5 0.908 110.7 51.9 -76.2 -45.5 11.1 75.8 12.9 74 77 A W H >< S+ 0 0 97 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.864 100.3 62.0 -60.4 -32.6 11.2 77.1 9.3 75 78 A E T 3< S+ 0 0 70 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.789 106.4 47.9 -64.3 -24.9 13.5 74.2 8.2 76 79 A Q T <> S+ 0 0 32 -3,-1.4 4,-2.8 -4,-0.4 -1,-0.3 0.434 85.8 93.7 -93.8 0.6 10.7 71.9 9.3 77 80 A V H <> S+ 0 0 9 -3,-1.5 4,-2.9 -4,-0.5 5,-0.3 0.930 80.9 52.2 -61.5 -44.6 7.9 73.7 7.4 78 81 A P H > S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.962 114.2 45.6 -56.5 -44.7 8.0 71.7 4.2 79 82 A L H > S+ 0 0 60 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.906 112.0 50.8 -64.0 -47.1 7.7 68.5 6.2 80 83 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.936 112.8 46.0 -55.7 -47.2 4.9 70.0 8.4 81 84 A K H X S+ 0 0 119 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.932 113.1 49.6 -64.9 -41.3 2.9 71.1 5.4 82 85 A E H X S+ 0 0 108 -4,-2.5 4,-1.7 -5,-0.3 6,-0.2 0.970 112.0 47.3 -63.4 -50.3 3.4 67.7 3.6 83 86 A K H <>S+ 0 0 45 -4,-3.0 5,-2.6 1,-0.2 3,-0.3 0.928 113.1 47.8 -57.0 -48.1 2.4 65.7 6.6 84 87 A L H ><5S+ 0 0 2 -4,-2.4 -81,-2.2 -5,-0.3 3,-1.9 0.919 109.9 52.4 -59.9 -39.0 -0.8 67.7 7.3 85 88 A S H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.8 58.3 -69.5 -23.8 -1.8 67.6 3.7 86 89 A Q T 3<5S- 0 0 91 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.348 125.4-101.1 -81.4 -2.9 -1.4 63.8 3.9 87 90 A G T < 5S+ 0 0 20 -3,-1.9 2,-0.6 1,-0.3 -54,-0.4 0.553 77.0 140.8 99.1 3.9 -4.0 63.6 6.7 88 91 A V < - 0 0 3 -5,-2.6 -85,-0.3 -6,-0.2 2,-0.3 -0.798 45.7-142.4 -89.2 123.6 -1.4 63.3 9.4 89 92 A T E - c 0 34A 3 -56,-2.8 -54,-2.3 -2,-0.6 2,-0.5 -0.608 16.8-147.8 -80.5 134.7 -2.1 65.1 12.7 90 93 A L E -ac 5 35A 2 -86,-2.7 -84,-3.0 -2,-0.3 2,-0.6 -0.903 8.4-160.3-111.7 126.2 1.1 66.6 14.2 91 94 A V E -ac 6 36A 0 -56,-2.6 -54,-2.8 -2,-0.5 2,-0.5 -0.953 17.7-159.6-102.1 116.9 1.5 66.9 17.9 92 95 A V E -ac 7 37A 0 -86,-3.0 -84,-2.7 -2,-0.6 2,-1.0 -0.893 13.5-148.7-116.2 117.2 4.2 69.5 18.5 93 96 A D E S-ac 8 38A 11 -56,-2.7 -54,-2.4 -2,-0.5 -84,-0.1 -0.764 77.9 -15.5 -86.8 95.2 6.2 69.8 21.8 94 97 A R S S+ 0 0 58 -86,-2.1 2,-0.2 -2,-1.0 -85,-0.1 0.466 74.3 175.9 76.5 144.6 7.0 73.5 22.0 95 98 A Y >> - 0 0 1 -57,-0.1 4,-1.4 -88,-0.1 3,-0.6 -0.607 54.3 -39.2-149.4-146.7 6.7 75.9 19.1 96 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.784 124.8 65.7 -62.3 -26.5 7.0 79.6 18.3 97 100 A F H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.938 101.5 46.9 -61.8 -47.4 5.3 80.6 21.6 98 101 A S H <> S+ 0 0 12 -3,-0.6 4,-2.7 1,-0.2 5,-0.4 0.902 110.0 57.1 -58.9 -39.9 8.2 79.2 23.6 99 102 A G H X S+ 0 0 7 -4,-1.4 4,-1.7 1,-0.2 5,-0.3 0.935 112.7 38.2 -58.3 -49.9 10.5 81.1 21.2 100 103 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.909 116.8 51.5 -68.5 -44.8 8.9 84.4 22.0 101 104 A A H X S+ 0 0 0 -4,-3.0 4,-0.6 -5,-0.2 56,-0.2 0.908 112.1 43.8 -62.1 -41.6 8.4 83.8 25.7 102 105 A F H < S+ 0 0 20 -4,-2.7 3,-0.4 2,-0.2 -1,-0.2 0.909 120.8 39.3 -73.4 -43.5 12.0 82.7 26.5 103 106 A T H >< S+ 0 0 3 -4,-1.7 3,-2.1 -5,-0.4 -2,-0.2 0.916 113.3 56.5 -71.6 -36.6 13.7 85.5 24.5 104 107 A G H 3< S+ 0 0 12 -4,-2.7 5,-0.3 -5,-0.3 -1,-0.2 0.708 96.0 66.1 -67.2 -14.6 11.1 88.0 25.6 105 108 A A T 3< S+ 0 0 2 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.528 89.1 87.6 -79.6 -11.6 12.0 87.2 29.2 106 109 A K S X S- 0 0 20 -3,-2.1 3,-1.0 -4,-0.2 2,-0.1 -0.517 94.1 -85.8 -84.8 161.6 15.4 88.7 28.5 107 110 A E T 3 S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.398 105.9 9.4 -68.9 140.6 16.2 92.4 29.0 108 111 A N T 3 S+ 0 0 157 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.765 89.9 126.4 62.8 35.0 15.5 94.7 26.1 109 112 A F < - 0 0 22 -3,-1.0 2,-0.2 -5,-0.3 -1,-0.2 -0.969 47.5-151.3-121.6 111.4 13.6 92.3 23.9 110 113 A S > - 0 0 66 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.533 20.7-124.9 -79.5 153.3 10.2 93.5 22.8 111 114 A L H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 111.1 56.4 -61.3 -40.8 7.5 91.0 22.2 112 115 A D H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.962 108.2 45.1 -56.2 -52.0 7.0 92.5 18.7 113 116 A W H 4 S+ 0 0 90 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.905 112.9 52.9 -59.5 -42.3 10.7 92.0 17.7 114 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.853 108.9 49.5 -64.3 -33.2 10.5 88.4 19.2 115 118 A K H >X S+ 0 0 45 -4,-2.4 3,-1.3 1,-0.2 4,-0.6 0.820 90.9 79.7 -72.7 -31.9 7.5 87.5 17.1 116 119 A Q G >< S+ 0 0 88 -4,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.823 85.3 54.3 -52.0 -46.5 8.6 88.6 13.7 117 120 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.841 112.1 47.1 -58.3 -33.6 10.9 85.8 12.6 118 121 A D G X4 S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.4 -2,-0.2 0.462 81.4 122.2 -90.7 0.9 8.0 83.3 13.2 119 122 A V T << S+ 0 0 38 -3,-1.5 86,-0.2 -4,-0.6 87,-0.1 -0.392 76.7 23.5 -63.5 129.0 5.4 85.3 11.4 120 123 A G T 3 S+ 0 0 14 84,-3.0 -1,-0.3 1,-0.3 3,-0.1 0.377 85.4 136.5 97.4 -6.0 3.9 83.2 8.7 121 124 A L S < S- 0 0 0 -3,-2.1 83,-3.3 83,-0.3 -1,-0.3 -0.313 75.4 -69.6 -65.0 165.5 4.7 79.7 10.1 122 125 A P E -E 203 0B 3 0, 0.0 81,-0.2 0, 0.0 -1,-0.2 -0.214 58.8-123.4 -53.0 132.6 2.0 77.1 9.9 123 126 A K E -E 202 0B 50 79,-2.2 79,-0.5 -3,-0.1 -118,-0.2 -0.710 21.7-120.6 -85.9 123.6 -0.7 78.2 12.3 124 127 A P - 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