==== 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 1NMX . 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 . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 74.8 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 38.6 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 3 A A 0 0 142 0, 0.0 2,-1.0 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 -24.3 -7.6 65.5 1.5 2 4 A R - 0 0 176 85,-0.1 199,-0.1 1,-0.1 200,-0.1 -0.689 360.0-136.2 -78.9 104.7 -8.8 65.9 5.1 3 5 A R - 0 0 30 -2,-1.0 83,-0.2 198,-0.2 82,-0.1 -0.157 9.8-115.8 -63.8 159.3 -5.9 67.7 6.6 4 6 A G - 0 0 3 81,-2.3 2,-0.3 85,-0.3 86,-0.2 -0.329 33.1-106.3 -82.7 167.0 -4.4 66.8 10.1 5 7 A A - 0 0 0 83,-0.2 86,-2.6 188,-0.1 2,-0.7 -0.751 16.4-134.7 -92.6 152.3 -4.4 69.4 13.0 6 8 A L E -a 91 0A 0 -2,-0.3 120,-2.4 118,-0.2 121,-1.3 -0.899 29.3-176.2-108.0 107.9 -1.4 71.3 14.3 7 9 A I E -ab 92 127A 0 84,-3.0 86,-2.6 -2,-0.7 2,-0.4 -0.960 5.7-164.1-111.6 122.6 -1.5 71.0 18.1 8 10 A V E -ab 93 128A 0 119,-2.5 121,-3.1 -2,-0.5 2,-0.5 -0.883 7.5-155.4-109.3 137.9 1.0 72.9 20.4 9 11 A L E +ab 94 129A 0 84,-2.8 86,-2.2 -2,-0.4 2,-0.3 -0.961 21.8 165.0-110.9 122.2 1.7 72.3 24.0 10 12 A E E + b 0 130A 0 119,-3.0 121,-2.7 -2,-0.5 2,-0.3 -0.802 13.1 133.0-121.2 168.1 3.2 75.2 26.0 11 13 A G E - b 0 131A 2 -2,-0.3 121,-0.2 119,-0.3 3,-0.1 -0.916 50.6 -59.9 162.0 166.5 3.4 75.5 29.7 12 14 A V S > S- 0 0 21 119,-2.0 3,-2.4 -2,-0.3 4,-0.3 -0.220 74.1 -69.1 -71.2 169.0 5.3 76.3 32.9 13 15 A D T 3 S+ 0 0 33 1,-0.3 -1,-0.2 2,-0.1 131,-0.0 -0.294 119.3 1.9 -63.2 133.3 8.4 74.4 33.9 14 16 A R T 3 S+ 0 0 55 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.502 88.7 126.0 66.0 15.5 7.7 70.9 34.8 15 17 A A S < S- 0 0 3 -3,-2.4 -2,-0.1 116,-0.1 -1,-0.1 0.755 87.7 -99.3 -73.0 -17.5 4.0 71.2 34.1 16 18 A G > + 0 0 16 -4,-0.3 4,-2.8 115,-0.1 5,-0.3 0.681 69.4 149.3 108.6 28.4 4.4 68.2 31.9 17 19 A K H > S+ 0 0 12 -5,-0.3 4,-2.0 2,-0.2 5,-0.2 0.934 82.9 39.7 -53.6 -48.7 4.7 69.4 28.2 18 20 A S H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.952 116.2 48.9 -74.9 -39.9 6.9 66.5 27.2 19 21 A T H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 116.6 43.5 -61.7 -48.6 5.1 63.8 29.2 20 22 A Q H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.833 110.8 53.4 -69.3 -33.9 1.7 65.0 27.9 21 23 A S H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.917 111.5 46.8 -67.3 -42.6 2.9 65.3 24.2 22 24 A R H X S+ 0 0 138 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.913 114.7 45.9 -59.7 -50.3 4.2 61.8 24.3 23 25 A K H X S+ 0 0 41 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.847 110.1 55.3 -63.8 -34.4 1.0 60.4 25.8 24 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.940 108.5 46.5 -63.8 -48.3 -1.2 62.4 23.4 25 27 A V H X S+ 0 0 21 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.937 112.9 50.8 -59.0 -45.2 0.4 60.9 20.3 26 28 A E H X S+ 0 0 129 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.904 113.3 44.7 -57.6 -48.5 0.2 57.4 21.7 27 29 A A H X S+ 0 0 21 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.877 111.5 51.5 -67.1 -40.6 -3.5 57.7 22.5 28 30 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 3,-0.6 0.928 111.6 47.4 -61.1 -44.0 -4.4 59.3 19.2 29 31 A C H ><5S+ 0 0 62 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.903 109.1 54.3 -64.3 -34.9 -2.7 56.6 17.3 30 32 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.696 106.2 53.8 -70.0 -23.3 -4.4 53.9 19.4 31 33 A A T <<5S- 0 0 59 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.070 129.1 -94.1 -97.4 19.1 -7.7 55.5 18.6 32 34 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.577 82.5 129.9 89.9 4.0 -7.1 55.3 14.8 33 35 A H < - 0 0 48 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.619 60.4-126.3 -86.1 154.1 -5.7 58.7 14.1 34 36 A R + 0 0 146 54,-0.4 56,-2.6 -2,-0.2 2,-0.3 -0.929 50.1 157.7 -91.2 110.9 -2.4 59.3 12.1 35 37 A A E -c 90 0A 9 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.994 20.8-172.8-140.8 145.4 -0.5 61.5 14.6 36 38 A E E -c 91 0A 77 54,-2.2 56,-2.4 -2,-0.3 2,-0.4 -0.956 20.9-120.2-137.8 154.9 3.2 62.2 15.1 37 39 A L E +c 92 0A 53 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.755 27.4 173.4 -99.6 138.2 5.3 64.1 17.7 38 40 A L E -c 93 0A 19 54,-2.6 56,-2.5 -2,-0.4 2,-0.3 -0.909 8.2-165.8-130.7 159.8 7.6 67.1 17.1 39 41 A R E -c 94 0A 88 -2,-0.3 56,-0.2 54,-0.3 57,-0.1 -0.994 17.7-109.5-142.7 156.0 9.5 69.3 19.5 40 42 A F S S+ 0 0 9 54,-2.5 2,-0.2 -2,-0.3 30,-0.0 -0.994 99.7 43.1-131.4 137.1 11.3 72.6 19.5 41 43 A P S S- 0 0 21 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.517 81.1-156.2 -67.3 150.3 14.1 73.2 19.7 42 44 A E > - 0 0 27 -2,-0.2 3,-0.9 1,-0.1 9,-0.1 -0.870 10.6-169.5 -94.9 102.2 14.8 70.3 17.3 43 45 A R T 3 + 0 0 85 -2,-0.9 9,-0.2 1,-0.2 -1,-0.1 0.464 65.5 78.2 -81.4 2.4 18.3 69.6 18.4 44 46 A S T 3 S+ 0 0 74 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.641 78.3 78.0 -88.3 -15.3 19.3 67.2 15.6 45 47 A T S <> S- 0 0 27 -3,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.303 95.9 -98.9 -84.8 176.5 19.9 69.7 12.8 46 48 A E H > S+ 0 0 177 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.938 129.4 40.5 -58.1 -47.7 23.0 71.9 12.3 47 49 A I H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.920 111.0 59.3 -67.8 -36.1 21.2 74.8 13.9 48 50 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 103.0 51.9 -60.1 -38.0 19.7 72.5 16.5 49 51 A K H X S+ 0 0 125 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.872 107.3 51.9 -68.3 -35.5 23.2 71.5 17.6 50 52 A L H X S+ 0 0 94 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.914 112.0 47.6 -61.7 -42.1 24.2 75.1 18.0 51 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.867 110.4 50.6 -66.8 -39.0 21.1 75.6 20.2 52 54 A S H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.944 109.0 51.2 -66.2 -44.8 21.7 72.5 22.3 53 55 A S H <>S+ 0 0 34 -4,-2.3 5,-2.3 1,-0.2 6,-0.8 0.956 112.0 48.8 -58.5 -43.4 25.3 73.6 23.0 54 56 A Y H ><5S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.897 110.5 48.1 -61.6 -46.3 23.9 77.0 24.1 55 57 A L H 3<5S+ 0 0 12 -4,-2.6 93,-3.2 1,-0.3 -1,-0.2 0.830 110.5 52.6 -67.0 -28.1 21.3 75.6 26.4 56 58 A Q T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 91,-0.2 -2,-0.2 0.403 113.4-119.5 -82.9 -4.2 23.8 73.3 28.0 57 59 A K T < 5S+ 0 0 125 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.730 80.5 123.9 70.1 24.3 26.1 76.3 28.7 58 60 A K S - 0 0 113 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.306 38.2-119.0 -60.0 137.9 24.7 86.7 21.5 63 65 A D H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.765 109.7 44.1 -55.3 -39.7 21.0 87.1 22.6 64 66 A H H > S+ 0 0 75 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.901 113.9 51.5 -69.7 -45.8 19.6 88.4 19.3 65 67 A S H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.946 110.5 48.2 -54.6 -45.4 21.5 85.8 17.2 66 68 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.888 108.2 54.5 -69.4 -36.2 20.2 82.9 19.4 67 69 A H H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.931 110.1 47.0 -59.0 -43.9 16.6 84.2 19.2 68 70 A L H X S+ 0 0 82 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.919 109.3 54.0 -68.4 -34.0 16.9 84.1 15.4 69 71 A L H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.915 106.0 52.7 -66.3 -38.4 18.4 80.6 15.5 70 72 A F H X S+ 0 0 23 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.923 113.6 44.2 -61.0 -37.4 15.5 79.3 17.5 71 73 A S H >X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 3,-1.0 0.943 111.2 51.9 -72.6 -44.2 13.1 80.8 14.9 72 74 A A H 3X S+ 0 0 38 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.852 102.4 61.8 -61.1 -31.1 15.2 79.4 12.0 73 75 A N H 3< S+ 0 0 0 -4,-2.2 4,-0.3 2,-0.2 -1,-0.3 0.777 107.3 44.4 -66.2 -29.8 15.0 76.0 13.7 74 76 A R H X< S+ 0 0 6 -3,-1.0 3,-1.8 -4,-0.8 4,-0.5 0.934 110.8 52.4 -75.3 -47.8 11.2 76.2 13.3 75 77 A W H >< S+ 0 0 95 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.846 100.7 61.8 -57.1 -36.9 11.3 77.4 9.7 76 78 A E T 3< S+ 0 0 74 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.728 106.7 47.4 -62.9 -18.7 13.6 74.6 8.6 77 79 A Q T <> S+ 0 0 31 -3,-1.8 4,-2.6 -4,-0.3 -1,-0.3 0.446 86.0 93.5 -98.2 -2.8 10.8 72.2 9.6 78 80 A V H <> S+ 0 0 11 -3,-1.6 4,-2.9 -4,-0.5 5,-0.3 0.904 81.1 52.8 -60.3 -45.6 8.0 74.0 7.8 79 81 A P H > S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.965 114.0 45.4 -54.9 -41.5 8.1 72.0 4.5 80 82 A L H > S+ 0 0 63 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.922 112.4 50.7 -66.8 -45.5 7.8 68.8 6.6 81 83 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.929 113.0 44.9 -58.1 -51.8 5.0 70.2 8.8 82 84 A K H X S+ 0 0 117 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.914 113.5 50.9 -64.2 -35.8 2.9 71.3 5.8 83 85 A E H X S+ 0 0 113 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.957 112.3 45.8 -63.2 -49.6 3.5 68.0 4.0 84 86 A K H ><>S+ 0 0 46 -4,-3.1 5,-2.2 1,-0.2 3,-0.6 0.914 113.5 48.1 -59.3 -48.4 2.4 66.0 7.0 85 87 A L H ><5S+ 0 0 3 -4,-2.5 -81,-2.3 1,-0.2 3,-2.0 0.925 109.7 52.7 -59.6 -42.2 -0.7 68.0 7.7 86 88 A S H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.5 56.7 -66.9 -20.8 -1.7 67.9 4.0 87 89 A Q T <<5S- 0 0 90 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.329 125.3-101.6 -88.9 3.1 -1.4 64.2 4.1 88 90 A G T < 5S+ 0 0 20 -3,-2.0 2,-0.5 1,-0.3 -54,-0.4 0.529 76.4 139.0 87.6 13.8 -3.9 63.9 7.0 89 91 A V < - 0 0 3 -5,-2.2 2,-0.3 -85,-0.2 -85,-0.3 -0.791 46.9-139.3 -92.3 121.1 -1.3 63.5 9.8 90 92 A T E - c 0 35A 2 -56,-2.6 -54,-2.2 -2,-0.5 2,-0.5 -0.662 17.0-147.1 -77.0 137.6 -2.0 65.4 13.1 91 93 A L E -ac 6 36A 2 -86,-2.6 -84,-3.0 -2,-0.3 2,-0.5 -0.936 9.4-162.9-114.4 131.0 1.1 66.9 14.6 92 94 A V E -ac 7 37A 0 -56,-2.4 -54,-2.6 -2,-0.5 2,-0.5 -0.959 16.1-162.0-110.7 118.0 1.6 67.3 18.3 93 95 A V E -ac 8 38A 0 -86,-2.6 -84,-2.8 -2,-0.5 2,-1.0 -0.936 17.8-144.2-116.6 123.5 4.4 69.8 19.1 94 96 A D E S-ac 9 39A 21 -56,-2.5 -54,-2.5 -2,-0.5 -84,-0.1 -0.781 80.7 -18.4 -86.5 99.1 6.3 70.2 22.4 95 97 A R S S+ 0 0 53 -86,-2.2 -55,-0.2 -2,-1.0 2,-0.2 0.482 72.4 179.5 74.7 149.0 6.9 74.0 22.5 96 98 A Y >> - 0 0 2 -57,-0.1 4,-1.4 -88,-0.1 3,-0.7 -0.563 54.5 -38.7-149.3-147.3 6.7 76.4 19.5 97 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.738 124.0 67.2 -63.6 -24.6 7.0 80.1 18.7 98 100 A F H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 102.7 45.1 -63.5 -41.3 5.3 81.1 22.0 99 101 A S H <> S+ 0 0 10 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.903 109.2 58.6 -66.8 -36.5 8.3 79.8 24.0 100 102 A G H X S+ 0 0 8 -4,-1.4 4,-1.5 1,-0.2 5,-0.3 0.916 113.3 37.2 -55.8 -49.6 10.6 81.5 21.5 101 103 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 116.6 51.4 -73.9 -42.1 9.0 84.9 22.3 102 104 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 -5,-0.2 59,-0.2 0.898 111.8 45.3 -65.3 -34.2 8.5 84.3 26.0 103 105 A F H < S+ 0 0 22 -4,-2.5 3,-0.4 2,-0.2 -1,-0.2 0.937 120.5 37.4 -79.3 -41.8 12.1 83.2 26.7 104 106 A T H >< S+ 0 0 2 -4,-1.5 3,-2.3 -5,-0.3 -2,-0.2 0.880 113.1 59.9 -71.8 -38.5 13.9 86.0 24.8 105 107 A G H 3< S+ 0 0 11 -4,-2.4 5,-0.3 -5,-0.3 -1,-0.2 0.704 95.2 63.9 -61.6 -21.9 11.2 88.4 25.9 106 108 A A T 3< S+ 0 0 2 -4,-0.7 -1,-0.3 -3,-0.4 2,-0.2 0.518 87.8 87.7 -78.2 -9.0 12.2 87.8 29.5 107 109 A K S X S- 0 0 23 -3,-2.3 3,-0.7 1,-0.1 -3,-0.0 -0.607 94.7 -85.2 -87.5 160.6 15.7 89.2 28.9 108 110 A E T 3 S+ 0 0 133 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.268 105.6 10.3 -68.1 144.0 16.3 93.0 29.3 109 111 A N T 3 S+ 0 0 150 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.853 89.5 124.6 59.1 42.2 15.6 95.3 26.4 110 112 A F < - 0 0 21 -3,-0.7 -1,-0.2 -5,-0.3 2,-0.1 -0.914 48.8-149.8-127.3 106.9 13.7 92.8 24.2 111 113 A S > - 0 0 66 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.422 19.9-124.9 -77.3 153.3 10.3 94.0 23.1 112 114 A L H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.878 111.2 56.2 -60.8 -39.1 7.5 91.4 22.4 113 115 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.930 108.3 45.0 -56.9 -49.0 7.0 92.9 19.0 114 116 A W H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.900 113.1 52.5 -62.9 -43.0 10.7 92.5 18.0 115 117 A C H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.866 108.5 50.0 -63.0 -37.8 10.6 88.9 19.4 116 118 A K H >X S+ 0 0 51 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.846 90.9 79.9 -69.1 -33.7 7.5 87.9 17.4 117 119 A Q G >< S+ 0 0 91 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.789 84.7 55.1 -49.0 -48.5 8.6 89.1 13.9 118 120 A P G 34 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.855 110.9 47.8 -57.4 -30.4 10.9 86.2 12.9 119 121 A D G X4 S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.4 -2,-0.2 0.473 80.3 123.4 -91.3 -1.1 8.0 83.7 13.5 120 122 A V T << S+ 0 0 42 -3,-1.6 89,-0.2 -4,-0.5 90,-0.0 -0.405 76.0 24.4 -62.5 130.7 5.4 85.7 11.6 121 123 A G T 3 S+ 0 0 15 87,-2.7 -1,-0.3 1,-0.3 3,-0.1 0.354 85.5 138.0 97.1 -6.9 3.9 83.5 8.9 122 124 A L S < S- 0 0 0 -3,-2.1 86,-3.5 86,-0.3 -1,-0.3 -0.281 74.1 -73.3 -64.9 159.4 4.7 80.1 10.5 123 125 A P B -E 207 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.287 57.9-124.7 -47.6 131.1 2.0 77.4 10.2 124 126 A K - 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