==== 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 28-SEP-04 1VMI . COMPND 2 MOLECULE: PUTATIVE PHOSPHATE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.9 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 0 0 1 3 2 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 -6 A T 0 0 162 0, 0.0 163,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -44.3 13.9 49.6 35.1 2 -5 A D > - 0 0 37 163,-0.4 4,-2.7 1,-0.2 3,-0.4 -0.432 360.0-145.9 -61.4 121.1 13.8 45.8 34.7 3 -4 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.759 97.1 57.1 -59.4 -25.7 15.9 45.1 31.6 4 -3 A A H > S+ 0 0 1 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.881 110.5 41.3 -74.9 -38.1 13.6 42.2 30.7 5 -2 A L H > S+ 0 0 29 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.928 115.1 51.5 -70.2 -45.0 10.4 44.4 30.7 6 -1 A R H X S+ 0 0 147 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.935 111.8 48.3 -52.2 -48.1 12.2 47.2 28.9 7 0 A A H X S+ 0 0 20 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.801 110.5 50.2 -65.8 -34.6 13.4 44.7 26.3 8 2 A I H X S+ 0 0 5 -4,-1.4 4,-1.7 2,-0.2 5,-0.2 0.971 113.5 44.1 -68.1 -55.3 10.0 43.2 25.8 9 3 A I H X S+ 0 0 104 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.934 117.0 45.1 -54.7 -52.5 8.2 46.4 25.3 10 4 A E H X S+ 0 0 92 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.868 109.5 55.6 -67.6 -36.1 10.9 47.9 23.0 11 5 A R H < S+ 0 0 80 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.811 108.6 48.3 -63.8 -32.5 11.1 44.6 21.0 12 6 A C H >< S+ 0 0 21 -4,-1.7 3,-0.8 -3,-0.4 4,-0.4 0.861 109.4 53.5 -72.8 -38.3 7.4 44.9 20.3 13 7 A R H >< S+ 0 0 52 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.972 107.4 52.2 -50.3 -52.2 7.8 48.5 19.3 14 8 A E G >< S+ 0 0 77 -4,-2.5 3,-1.8 1,-0.3 4,-0.5 0.495 81.6 87.6 -75.2 -7.4 10.5 47.4 16.8 15 9 A L G X S+ 0 0 3 -3,-0.8 3,-0.7 -4,-0.3 -1,-0.3 0.845 89.3 54.6 -52.9 -34.8 8.4 44.8 15.1 16 10 A A G < S+ 0 0 48 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.581 102.1 57.6 -73.0 -12.6 7.3 47.7 13.0 17 11 A L G < S+ 0 0 138 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.2 0.400 107.4 45.4-106.3 -0.4 10.9 48.6 12.0 18 12 A R S < S- 0 0 111 -3,-0.7 0, 0.0 -4,-0.5 0, 0.0 -0.840 106.8 -60.3-133.0 171.4 11.8 45.2 10.5 19 13 A A - 0 0 81 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.225 65.6-104.9 -54.3 139.5 10.2 42.8 8.1 20 14 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 26,-0.2 -0.330 23.0-122.5 -77.7 145.8 6.9 41.5 9.4 21 15 A A - 0 0 12 24,-0.4 26,-3.3 -6,-0.1 2,-0.8 -0.638 26.4-123.7 -74.0 140.6 6.3 38.0 10.9 22 16 A R E -a 47 0A 86 -2,-0.3 101,-2.6 24,-0.2 102,-1.7 -0.836 30.0-168.2 -88.7 113.8 3.7 36.1 9.0 23 17 A V E -ab 48 124A 0 24,-1.8 26,-2.3 -2,-0.8 2,-0.4 -0.918 6.6-151.9-109.6 115.3 1.1 35.1 11.7 24 18 A V E -ab 49 125A 0 100,-2.9 102,-2.5 -2,-0.6 26,-0.2 -0.697 7.1-165.9 -93.1 133.0 -1.5 32.5 10.6 25 19 A F E +a 50 0A 0 24,-3.4 26,-2.0 -2,-0.4 3,-0.2 -0.907 10.5 177.0-119.7 102.2 -5.0 32.5 12.2 26 20 A P S S+ 0 0 5 0, 0.0 2,-1.1 0, 0.0 3,-0.2 0.745 76.9 65.3 -78.8 -23.4 -7.0 29.3 11.5 27 21 A D + 0 0 10 99,-0.4 6,-0.2 1,-0.2 25,-0.1 -0.464 67.8 146.6 -88.1 60.0 -10.0 30.3 13.7 28 22 A A + 0 0 3 -2,-1.1 2,-2.1 23,-0.6 -1,-0.2 0.689 43.0 82.2 -77.7 -21.4 -10.7 33.1 11.3 29 23 A L S S+ 0 0 50 -3,-0.2 2,-0.3 22,-0.2 -1,-0.2 -0.370 73.6 98.6 -84.1 62.2 -14.5 33.3 11.4 30 24 A D S > S- 0 0 14 -2,-2.1 4,-2.0 1,-0.1 3,-0.5 -0.956 70.7-142.3-153.1 120.0 -14.3 35.3 14.6 31 25 A Q H > S+ 0 0 71 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.761 101.5 59.4 -63.3 -24.8 -14.7 39.0 14.6 32 26 A R H > S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.913 107.6 46.3 -66.3 -44.1 -12.0 39.3 17.4 33 27 A V H > S+ 0 0 0 -3,-0.5 4,-2.9 -6,-0.2 -2,-0.2 0.893 111.7 51.1 -62.2 -43.7 -9.5 37.7 15.1 34 28 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 113.6 45.6 -61.0 -42.0 -10.5 39.9 12.2 35 29 A K H X S+ 0 0 89 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 113.6 47.6 -66.8 -47.2 -10.1 42.9 14.4 36 30 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.940 114.7 48.8 -56.9 -49.1 -6.8 41.8 15.8 37 31 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.895 110.0 49.2 -54.8 -48.4 -5.6 41.0 12.2 38 32 A Q H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.886 112.0 49.6 -65.0 -38.8 -6.7 44.3 10.8 39 33 A Y H X S+ 0 0 94 -4,-2.4 4,-2.7 2,-0.2 6,-0.2 0.937 109.7 50.7 -60.0 -50.3 -4.9 46.2 13.7 40 34 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 6,-0.9 0.924 114.6 44.8 -55.7 -45.1 -1.7 44.2 13.2 41 35 A H H ><5S+ 0 0 75 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.903 112.5 49.5 -64.3 -47.7 -1.8 45.0 9.5 42 36 A Q H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 114.4 45.5 -63.6 -35.5 -2.6 48.7 9.9 43 37 A Q T 3<5S- 0 0 98 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.480 106.9-127.0 -87.4 -0.3 0.2 49.1 12.4 44 38 A G T < 5S+ 0 0 37 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.827 72.5 127.9 55.7 35.0 2.6 47.2 10.2 45 39 A L S - 0 0 55 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.634 44.5-140.5 -68.1 127.9 -13.0 30.1 2.5 54 48 A P H > S+ 0 0 53 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.792 99.9 50.8 -68.8 -27.0 -12.6 33.7 1.1 55 49 A F H > S+ 0 0 168 2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.891 113.2 45.4 -72.2 -41.0 -16.3 33.8 0.1 56 50 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.926 115.9 45.8 -66.6 -46.1 -17.5 32.6 3.5 57 51 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.866 109.0 54.7 -64.4 -43.6 -15.1 35.0 5.3 58 52 A R H X S+ 0 0 124 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.908 111.9 44.8 -56.9 -44.9 -16.0 38.0 3.2 59 53 A Q H X S+ 0 0 158 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.901 114.4 50.4 -62.3 -44.1 -19.7 37.5 4.0 60 54 A F H X S+ 0 0 46 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.963 113.6 43.8 -57.0 -54.7 -18.8 37.0 7.7 61 55 A A H X>S+ 0 0 1 -4,-3.2 5,-2.1 1,-0.3 4,-0.5 0.822 111.2 53.2 -65.8 -36.2 -16.7 40.1 7.8 62 56 A L H ><5S+ 0 0 103 -4,-2.0 3,-0.5 -5,-0.3 -1,-0.3 0.882 110.5 48.6 -66.8 -37.1 -19.3 42.2 5.9 63 57 A S H 3<5S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.751 114.6 44.1 -79.3 -19.8 -22.0 41.1 8.4 64 58 A H H 3<5S- 0 0 72 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.413 111.0-120.3 -99.7 1.7 -19.8 41.9 11.5 65 59 A G T <<5 + 0 0 70 -4,-0.5 2,-0.4 -3,-0.5 -3,-0.2 0.810 59.7 147.3 66.8 34.8 -18.6 45.3 10.0 66 60 A V < - 0 0 19 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.2 -0.876 51.0-117.1-108.2 134.4 -14.9 44.5 10.0 67 61 A A - 0 0 43 -2,-0.4 -5,-0.0 1,-0.1 -29,-0.0 -0.529 23.9-174.7 -74.6 119.2 -12.5 45.9 7.4 68 62 A X > + 0 0 47 -2,-0.5 3,-1.9 -10,-0.1 -1,-0.1 0.506 34.5 141.7 -88.2 -8.8 -10.9 43.1 5.4 69 63 A D T 3 S- 0 0 117 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.067 73.6 -2.6 -43.6 119.5 -8.6 45.5 3.5 70 64 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -29,-0.0 -1,-0.3 0.582 94.9 134.5 78.5 12.6 -5.1 44.2 2.9 71 65 A L < - 0 0 18 -3,-1.9 2,-0.3 -24,-0.1 -1,-0.2 -0.847 52.7-130.7-101.7 124.7 -5.5 40.9 4.7 72 66 A Q E -c 49 0A 98 -24,-0.9 -22,-2.7 -2,-0.5 2,-0.4 -0.526 23.4-169.0 -73.4 132.1 -4.3 37.7 3.1 73 67 A V E -c 50 0A 42 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.986 1.9-169.5-118.3 135.2 -6.9 34.9 3.1 74 68 A I E -c 51 0A 9 -24,-2.7 -22,-1.6 -2,-0.4 -25,-0.0 -0.988 16.8-137.9-131.5 126.5 -6.0 31.3 2.2 75 69 A D > - 0 0 38 -2,-0.4 3,-0.9 -24,-0.2 -22,-0.1 -0.736 6.5-162.4 -86.8 115.7 -8.5 28.5 1.6 76 70 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 0.663 92.5 57.3 -74.6 -13.3 -7.4 25.1 3.2 77 71 A H T 3 S+ 0 0 122 30,-0.1 3,-0.1 6,-0.0 30,-0.1 0.572 113.1 43.8 -88.8 -13.7 -9.9 23.2 1.0 78 72 A G S < S+ 0 0 25 -3,-0.9 5,-0.2 1,-0.1 -4,-0.0 -0.061 79.5 79.1 -93.7-148.3 -8.2 24.7 -2.1 79 73 A N > + 0 0 60 1,-0.1 4,-2.9 3,-0.1 5,-0.2 0.886 47.4 164.8 53.8 47.2 -4.4 24.9 -2.4 80 74 A L H > S+ 0 0 81 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.896 74.1 57.6 -60.3 -44.9 -3.9 21.2 -3.4 81 75 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 112.8 41.0 -50.4 -47.3 -0.4 22.0 -4.6 82 76 A X H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 113.4 51.4 -70.0 -46.0 0.4 23.3 -1.1 83 77 A R H X S+ 0 0 21 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.833 107.7 54.5 -60.6 -35.9 -1.5 20.6 0.7 84 78 A E H X S+ 0 0 81 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.915 108.9 47.8 -60.7 -45.4 0.4 18.0 -1.4 85 79 A E H X S+ 0 0 81 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.877 113.7 48.0 -59.9 -40.0 3.7 19.6 -0.3 86 80 A F H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 110.5 51.0 -69.3 -42.6 2.4 19.5 3.3 87 81 A A H X S+ 0 0 17 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.935 112.0 48.0 -56.1 -46.9 1.3 15.9 3.0 88 82 A H H X S+ 0 0 127 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.932 111.3 48.4 -64.2 -46.0 4.8 15.0 1.7 89 83 A R H X S+ 0 0 99 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.844 112.3 51.2 -60.5 -34.1 6.6 16.9 4.5 90 84 A W H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 5,-0.5 0.906 109.6 48.8 -69.1 -44.0 4.4 15.1 7.0 91 85 A L H X S+ 0 0 93 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.973 110.2 51.4 -60.1 -52.9 5.1 11.7 5.5 92 86 A A H < S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 119.5 36.4 -51.5 -35.8 8.9 12.4 5.6 93 87 A R H < S+ 0 0 110 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.961 127.1 31.0 -83.8 -56.8 8.7 13.4 9.2 94 88 A A H >< S+ 0 0 24 -4,-2.8 3,-1.6 1,-0.2 2,-0.2 0.706 81.3 177.4 -87.2 -24.5 6.1 11.1 10.7 95 89 A G G >< S+ 0 0 32 -4,-2.8 3,-1.7 -5,-0.5 -1,-0.2 -0.379 70.6 10.5 68.2-125.3 6.7 8.0 8.6 96 90 A E G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.834 125.4 64.9 -59.1 -33.2 4.5 5.0 9.5 97 91 A K G < S+ 0 0 100 -3,-1.6 -1,-0.3 -6,-0.1 -2,-0.2 0.306 76.4 112.4 -72.5 8.7 2.6 7.3 11.8 98 92 A T < - 0 0 23 -3,-1.7 4,-0.1 -7,-0.1 -7,-0.0 -0.755 67.4-131.2 -87.1 123.3 1.3 9.4 8.8 99 93 A P > - 0 0 22 0, 0.0 3,-0.8 0, 0.0 2,-0.2 -0.282 15.8-121.0 -62.8 152.6 -2.5 9.0 8.3 100 94 A P T 3 S+ 0 0 106 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.530 104.9 45.9 -82.8 173.0 -3.7 8.2 4.9 101 95 A D T >> S+ 0 0 115 -2,-0.2 4,-2.5 3,-0.1 3,-0.9 0.676 72.0 144.0 63.1 16.9 -6.1 10.8 3.7 102 96 A A H <> + 0 0 10 -3,-0.8 4,-2.3 1,-0.2 5,-0.2 0.907 67.8 60.4 -44.3 -45.9 -3.4 13.2 5.0 103 97 A L H 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.865 109.1 41.1 -51.2 -43.5 -4.4 15.3 2.1 104 98 A E H X4 S+ 0 0 116 -3,-0.9 3,-1.5 2,-0.2 4,-0.3 0.841 109.9 55.8 -72.7 -43.4 -7.9 15.6 3.5 105 99 A K H >< S+ 0 0 71 -4,-2.5 3,-1.6 1,-0.3 6,-0.3 0.863 100.8 62.2 -58.6 -33.3 -6.9 16.0 7.1 106 100 A L T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.578 86.7 71.7 -71.3 -9.4 -4.8 19.0 5.9 107 101 A T T < S+ 0 0 10 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.601 73.5 100.8 -79.7 -13.4 -8.0 20.8 4.8 108 102 A D S <> S- 0 0 71 -3,-1.6 4,-3.0 -4,-0.3 3,-0.4 -0.639 82.4-131.4 -64.7 126.7 -8.8 21.3 8.4 109 103 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.826 103.9 52.5 -54.3 -38.1 -7.8 24.9 9.1 110 104 A L H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.904 114.1 43.2 -63.8 -41.5 -5.8 24.1 12.3 111 105 A X H > S+ 0 0 23 -3,-0.4 4,-2.6 -6,-0.3 5,-0.2 0.924 112.8 50.6 -69.0 -49.6 -3.9 21.5 10.4 112 106 A F H X S+ 0 0 0 -4,-3.0 4,-1.7 -7,-0.2 -2,-0.2 0.887 113.8 46.8 -54.2 -43.3 -3.3 23.6 7.3 113 107 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.895 111.7 49.9 -68.8 -42.2 -2.1 26.4 9.6 114 108 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.907 110.9 50.9 -60.9 -40.1 0.2 24.1 11.5 115 109 A A H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 6,-0.2 0.818 106.9 53.5 -69.6 -34.5 1.6 22.8 8.2 116 110 A X H <>S+ 0 0 7 -4,-1.7 5,-2.8 2,-0.2 6,-1.4 0.909 112.1 44.5 -62.9 -44.8 2.3 26.3 6.9 117 111 A V H ><5S+ 0 0 7 -4,-1.8 3,-1.8 4,-0.2 -2,-0.2 0.957 112.6 51.1 -65.8 -47.3 4.3 27.1 10.1 118 112 A S H 3<5S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 114.5 44.2 -57.3 -34.6 6.1 23.8 10.0 119 113 A A T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.379 116.5-113.1 -92.3 -0.7 7.0 24.4 6.3 120 114 A G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.659 84.9 121.3 72.2 17.8 8.0 28.0 6.9 121 115 A K S - 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