==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TQK . COMPND 2 MOLECULE: PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS; . AUTHOR M.C.FRANKLIN,J.CHEUNG,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 2 0.6 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 2 0 0 1 0 0 1 1 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 3 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 14 A N 0 0 221 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.3 6.7 43.2 -9.1 2 15 A I - 0 0 137 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.926 360.0-177.5-106.5 117.1 8.7 45.3 -6.6 3 16 A K - 0 0 216 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.926 68.8 -15.5 -72.7 -47.3 6.7 47.9 -4.7 4 17 A K - 0 0 152 2,-0.0 2,-0.6 0, 0.0 -1,-0.3 -0.987 46.8-137.3-161.3 141.3 9.8 49.3 -2.8 5 18 A E - 0 0 182 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.945 34.5-167.0 -94.6 123.0 13.4 48.7 -1.8 6 19 A K - 0 0 164 -2,-0.6 2,-0.1 1,-0.1 -2,-0.0 -0.783 25.5 -94.5-111.4 157.7 13.7 49.7 1.8 7 20 A V - 0 0 116 -2,-0.3 2,-0.4 1,-0.0 105,-0.2 -0.416 31.9-162.7 -72.3 140.6 16.9 50.3 3.8 8 21 A L - 0 0 77 -2,-0.1 -1,-0.0 200,-0.1 0, 0.0 -0.995 18.8-130.3-119.5 130.9 18.4 47.5 5.9 9 22 A I - 0 0 57 -2,-0.4 199,-0.1 1,-0.1 5,-0.1 -0.705 32.1-117.7 -81.1 126.1 21.0 48.3 8.6 10 23 A P >> - 0 0 32 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.234 18.7-113.0 -67.2 155.0 24.1 46.0 8.2 11 24 A A H 3> S+ 0 0 1 194,-0.3 4,-2.8 1,-0.3 5,-0.2 0.815 111.9 71.2 -56.9 -36.2 25.1 43.6 10.9 12 25 A E H 3> S+ 0 0 98 194,-2.9 4,-1.8 1,-0.2 -1,-0.3 0.851 99.4 46.6 -39.5 -49.3 28.2 45.6 11.5 13 26 A V H <> S+ 0 0 50 -3,-1.5 4,-2.8 193,-0.3 -1,-0.2 0.937 112.6 46.9 -71.6 -45.7 26.2 48.4 13.0 14 27 A L H X S+ 0 0 3 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.828 110.4 54.9 -66.1 -31.9 24.1 46.1 15.3 15 28 A I H < S+ 0 0 39 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.877 110.3 45.6 -67.3 -38.8 27.3 44.3 16.4 16 29 A Q H < S+ 0 0 158 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.938 117.9 43.6 -65.1 -47.6 28.7 47.7 17.4 17 30 A D H < S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 128.1 29.5 -63.0 -38.2 25.5 48.7 19.1 18 31 A I S < S- 0 0 10 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.726 90.1-164.6-128.1 76.3 25.1 45.2 20.8 19 32 A P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.177 31.2 -97.0 -71.6 157.0 28.6 43.8 21.3 20 33 A L - 0 0 67 -5,-0.1 2,-0.1 4,-0.1 103,-0.0 -0.632 47.3-144.2 -67.0 111.6 29.6 40.2 22.0 21 34 A L > - 0 0 68 -2,-0.6 4,-2.7 1,-0.1 5,-0.1 -0.388 16.6-114.4 -80.9 161.1 29.9 40.3 25.8 22 35 A K H > S+ 0 0 156 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 116.3 48.4 -65.1 -46.6 32.6 38.3 27.6 23 36 A T H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 112.6 50.6 -59.4 -41.6 30.2 36.0 29.4 24 37 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 109.0 51.0 -57.6 -50.5 28.4 35.4 26.1 25 38 A F H X S+ 0 0 96 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.911 113.3 45.0 -54.2 -46.0 31.6 34.6 24.3 26 39 A E H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.848 110.8 52.8 -72.6 -35.5 32.6 32.0 27.0 27 40 A T H X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.911 114.1 43.2 -63.0 -43.7 29.1 30.5 27.1 28 41 A V H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.952 114.0 49.5 -68.9 -48.1 29.1 30.0 23.3 29 42 A R H X S+ 0 0 117 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.934 118.3 39.4 -56.2 -49.7 32.7 28.7 23.1 30 43 A K H X S+ 0 0 133 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.943 116.2 48.0 -68.0 -51.1 32.2 26.2 25.9 31 44 A S H X S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.830 108.3 56.7 -64.0 -32.3 28.7 25.0 25.0 32 45 A R H X S+ 0 0 54 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.903 108.6 45.9 -64.5 -43.2 29.7 24.5 21.4 33 46 A K H X S+ 0 0 126 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.936 113.5 51.6 -62.9 -45.1 32.5 22.2 22.4 34 47 A E H X S+ 0 0 52 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.900 111.8 43.5 -59.0 -45.6 30.1 20.4 24.7 35 48 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.880 110.4 56.5 -72.1 -35.3 27.3 19.9 22.0 36 49 A A H X S+ 0 0 16 -4,-2.1 4,-1.8 -5,-0.2 6,-0.2 0.929 108.7 47.4 -58.0 -44.6 29.9 18.8 19.4 37 50 A N H X>S+ 0 0 73 -4,-2.1 5,-1.8 2,-0.2 6,-1.1 0.863 112.3 48.8 -66.6 -38.3 31.1 16.0 21.7 38 51 A I H ><5S+ 0 0 1 -4,-1.7 3,-1.1 4,-0.2 -2,-0.2 0.946 110.1 52.2 -64.0 -45.5 27.6 14.9 22.5 39 52 A I H 3<5S+ 0 0 0 -4,-2.9 215,-2.8 1,-0.3 -2,-0.2 0.849 113.6 44.0 -58.3 -37.2 26.8 14.8 18.7 40 53 A H H 3<5S- 0 0 68 -4,-1.8 -1,-0.3 213,-0.2 -2,-0.2 0.452 116.9-112.7 -90.8 -4.0 29.8 12.7 18.0 41 54 A G T <<5S+ 0 0 30 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.467 83.3 121.0 91.0 3.3 29.2 10.4 21.0 42 55 A N S - 0 0 45 1,-0.1 4,-2.3 2,-0.0 3,-0.3 -0.861 59.9-171.1-139.3 95.8 7.7 38.6 23.5 58 71 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.828 89.4 54.1 -61.0 -35.0 11.4 39.1 24.4 59 72 A A H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.887 109.9 46.9 -63.7 -41.9 10.5 40.1 28.0 60 73 A A H > S+ 0 0 6 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.885 109.7 55.7 -66.0 -36.8 8.5 36.8 28.4 61 74 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.895 106.5 49.7 -60.4 -42.8 11.5 35.0 26.8 62 75 A I H X S+ 0 0 51 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.949 110.7 49.2 -61.7 -48.5 13.8 36.5 29.5 63 76 A E H X S+ 0 0 86 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.923 112.2 48.6 -57.7 -44.1 11.5 35.3 32.3 64 77 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.917 109.8 53.1 -56.9 -45.2 11.3 31.8 30.8 65 78 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.866 104.0 55.6 -62.0 -40.5 15.1 31.8 30.5 66 79 A T H X S+ 0 0 71 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.927 109.6 46.2 -56.5 -48.6 15.5 32.7 34.2 67 80 A K H X S+ 0 0 85 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.909 114.4 48.4 -61.4 -43.1 13.4 29.7 35.1 68 81 A L H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.9 0.941 107.2 54.0 -63.7 -46.6 15.4 27.4 32.7 69 82 A K H >X S+ 0 0 80 -4,-3.3 4,-0.7 1,-0.3 3,-0.6 0.848 102.5 60.6 -58.9 -31.2 18.8 28.6 34.0 70 83 A E H 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.2 4,-0.3 0.792 104.1 48.9 -64.6 -31.1 17.6 27.6 37.5 71 84 A Q H XX S+ 0 0 21 -3,-1.4 4,-1.2 -4,-0.8 3,-0.9 0.673 90.5 81.7 -80.9 -20.5 17.2 24.0 36.4 72 85 A V H XX S+ 0 0 31 -4,-0.9 4,-1.6 -3,-0.6 3,-1.4 0.939 88.4 51.6 -57.5 -51.6 20.6 23.7 34.7 73 86 A K H 3< S+ 0 0 162 -4,-0.7 -1,-0.3 1,-0.3 4,-0.2 0.726 106.9 56.1 -58.3 -25.5 22.5 23.1 37.9 74 87 A K H <4 S+ 0 0 121 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.843 123.4 22.2 -69.0 -32.9 20.1 20.3 38.9 75 88 A F H XX S+ 0 0 15 -3,-1.4 4,-2.4 -4,-1.2 3,-1.9 0.411 85.2 107.9-119.6 -1.4 20.7 18.4 35.6 76 89 A H T 3< S+ 0 0 86 -4,-1.6 -1,-0.1 1,-0.3 -3,-0.1 0.650 76.8 58.7 -69.3 -20.3 24.0 19.4 34.1 77 90 A K T 34 S+ 0 0 157 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.749 123.4 24.9 -71.8 -23.4 25.8 16.1 34.8 78 91 A D T <4 S+ 0 0 16 -3,-1.9 -32,-1.8 1,-0.2 2,-0.3 0.652 124.6 37.7-111.7 -24.5 23.2 14.3 32.7 79 92 A I E < -a 46 0A 2 -4,-2.4 2,-0.6 -34,-0.2 -1,-0.2 -0.984 56.9-145.5-141.4 137.2 21.8 16.9 30.3 80 93 A L E -a 47 0A 12 -34,-2.2 -32,-3.3 -2,-0.3 2,-0.5 -0.946 26.6-153.9-102.2 113.1 23.0 19.8 28.2 81 94 A I E -a 48 0A 6 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.779 15.1-179.9 -91.8 125.9 20.2 22.4 28.1 82 95 A I E -a 49 0A 0 -34,-3.2 -32,-2.2 -2,-0.5 2,-0.4 -0.998 25.9-126.5-124.9 125.5 20.1 24.7 25.1 83 96 A X E -ac 50 132A 0 48,-3.1 50,-2.9 -2,-0.4 2,-0.5 -0.613 16.5-128.9 -81.9 133.4 17.4 27.3 24.9 84 97 A R E + c 0 133A 8 -34,-1.9 2,-0.4 -2,-0.4 50,-0.2 -0.620 29.9 173.8 -79.9 116.4 15.3 27.4 21.8 85 98 A V + 0 0 0 48,-3.1 2,-0.3 -2,-0.5 50,-0.2 -0.730 10.8 175.0-127.1 80.7 15.2 31.0 20.5 86 99 A Y - 0 0 9 -34,-0.4 -31,-3.2 -2,-0.4 13,-0.2 -0.717 19.3-175.0 -97.5 138.2 13.3 30.8 17.2 87 100 A F + 0 0 5 -2,-0.3 13,-1.3 48,-0.2 14,-0.5 0.188 63.2 56.8-117.5 17.0 12.4 33.9 15.1 88 101 A E - 0 0 63 10,-0.2 10,-0.3 11,-0.1 9,-0.1 -0.997 57.5-154.1-152.7 140.0 10.3 32.4 12.3 89 102 A K - 0 0 25 8,-2.7 2,-0.1 -2,-0.3 -35,-0.0 -0.974 24.9-126.3-116.7 120.9 7.2 30.3 11.9 90 103 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 4,-0.1 -0.434 27.2-165.4 -60.0 138.8 6.7 28.1 8.8 91 104 A R - 0 0 71 2,-0.2 4,-0.1 1,-0.1 6,-0.0 -0.995 26.8-135.4-130.8 135.9 3.3 28.8 7.0 92 105 A T S S- 0 0 142 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.885 95.7 -27.6 -54.0 -45.1 1.7 26.6 4.3 93 106 A T S S- 0 0 122 1,-0.5 2,-0.2 -3,-0.1 -2,-0.2 0.400 122.7 -3.8-131.4 -72.8 0.9 29.8 2.3 94 107 A I + 0 0 151 -4,-0.1 -1,-0.5 2,-0.0 2,-0.2 -0.704 68.5 101.8-126.3 174.9 0.6 33.0 4.3 95 108 A G S S- 0 0 40 -2,-0.2 -4,-0.1 -4,-0.1 -6,-0.1 -0.673 76.4 -28.9 137.1 168.0 0.5 34.3 7.9 96 109 A W - 0 0 22 -2,-0.2 3,-0.1 1,-0.2 -7,-0.1 -0.362 52.4-157.6 -48.3 122.5 2.7 36.0 10.5 97 110 A K - 0 0 112 1,-0.3 -8,-2.7 -9,-0.1 2,-0.3 0.674 45.7 -93.3 -81.0 -23.4 6.2 35.0 9.6 98 111 A G > - 0 0 0 -10,-0.3 4,-2.0 1,-0.1 -1,-0.3 -0.804 50.1 -49.2 133.4-176.6 7.7 35.6 13.0 99 112 A F T 4 S+ 0 0 4 -44,-0.5 -1,-0.1 -2,-0.3 -11,-0.1 0.819 126.2 49.7 -72.1 -36.7 9.5 38.1 15.2 100 113 A I T 4 S+ 0 0 13 -13,-1.3 14,-0.4 2,-0.2 15,-0.3 0.940 115.1 44.2 -65.1 -45.1 12.3 39.2 12.7 101 114 A N T 4 S+ 0 0 37 -14,-0.5 -2,-0.2 1,-0.2 10,-0.2 0.849 139.3 2.4 -69.8 -34.7 9.8 39.8 9.9 102 115 A D >< + 0 0 1 -4,-2.0 3,-1.8 7,-0.2 -1,-0.2 -0.481 66.0 170.9-157.1 71.8 7.2 41.7 12.0 103 116 A P T 3 S+ 0 0 6 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.802 80.9 55.9 -59.6 -34.9 8.2 42.2 15.7 104 117 A D T 3 S- 0 0 66 -5,-0.1 -5,-0.1 1,-0.0 -48,-0.0 0.409 102.1-133.4 -82.7 1.9 5.4 44.5 16.5 105 118 A L S < S+ 0 0 43 -3,-1.8 -9,-0.1 -7,-0.2 -1,-0.0 0.770 79.9 99.0 59.1 33.3 2.9 41.9 15.3 106 119 A D S S- 0 0 95 199,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.110 100.1 -99.0-140.5 21.3 0.9 44.4 13.2 107 120 A N S S+ 0 0 110 -5,-0.2 -5,-0.1 1,-0.1 -2,-0.0 0.805 88.2 122.8 56.6 32.5 2.0 44.0 9.6 108 121 A S - 0 0 55 2,-0.0 3,-0.2 -6,-0.0 -1,-0.1 0.656 61.1-150.3 -87.8 -21.9 4.4 47.0 10.0 109 122 A Y + 0 0 109 1,-0.2 2,-2.1 2,-0.1 3,-0.2 0.847 23.6 176.1 59.0 45.0 7.2 44.7 8.9 110 123 A N > + 0 0 67 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 -0.510 6.3 167.0 -84.6 77.2 9.9 46.5 10.9 111 124 A I H > S+ 0 0 64 -2,-2.1 4,-2.8 1,-0.2 5,-0.2 0.866 71.2 56.5 -65.9 -36.7 12.6 44.0 10.0 112 125 A N H > S+ 0 0 42 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.942 110.2 45.8 -59.7 -45.0 15.5 46.3 11.2 113 126 A K H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.924 112.1 52.8 -60.5 -45.3 13.8 46.4 14.6 114 127 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 -14,-0.4 -2,-0.2 0.926 110.4 45.6 -53.9 -51.3 13.3 42.7 14.5 115 128 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 -15,-0.3 -1,-0.2 0.896 113.5 50.9 -64.1 -39.7 16.9 42.0 13.8 116 129 A R H X S+ 0 0 80 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.927 114.0 41.8 -64.4 -48.1 18.0 44.4 16.5 117 130 A L H X S+ 0 0 60 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.825 112.4 56.3 -69.8 -30.0 15.8 42.9 19.2 118 131 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.955 111.2 42.4 -65.4 -49.7 16.6 39.4 18.1 119 132 A R H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.923 113.8 52.3 -61.8 -44.7 20.3 40.0 18.6 120 133 A N H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.861 109.1 50.4 -63.1 -35.5 19.7 41.8 21.8 121 134 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.948 111.8 46.9 -63.8 -48.5 17.7 38.9 23.1 122 135 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.883 110.6 53.1 -62.5 -38.2 20.4 36.4 22.2 123 136 A S H X S+ 0 0 6 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.963 111.7 46.3 -58.7 -50.3 23.0 38.7 23.8 124 137 A D H X S+ 0 0 68 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.895 113.6 47.2 -59.0 -46.8 21.0 38.8 27.1 125 138 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 3,-0.6 0.936 115.3 43.5 -64.3 -49.5 20.3 35.0 27.2 126 139 A T H ><5S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.833 109.0 59.4 -65.8 -32.8 23.9 34.0 26.5 127 140 A N H 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.742 100.2 56.4 -67.2 -23.4 25.1 36.6 28.9 128 141 A X T <<5S- 0 0 59 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.475 128.4-103.1 -79.8 -5.2 23.0 34.8 31.6 129 142 A G T < 5S+ 0 0 17 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.617 79.0 134.9 92.8 15.2 25.1 31.7 30.7 130 143 A L < - 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