==== 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 23-JAN-06 2FSR . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR Y.KIM,A.JOACHIMIAK,X.XU,J.GU,A.EDWARDS,A.SAVCHENKO,MIDWEST C . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 0 0 0 0 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -9 A G 0 0 122 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.3 -32.0 -7.1 5.3 2 -8 A R - 0 0 243 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.579 360.0-157.8 -91.4 161.0 -28.4 -7.1 3.9 3 -7 A E - 0 0 143 -2,-0.2 2,-0.9 0, 0.0 0, 0.0 -0.936 22.6-121.1-141.4 154.3 -25.5 -5.6 5.7 4 -6 A N + 0 0 146 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.814 47.6 148.7-102.2 94.3 -22.0 -4.2 5.0 5 -5 A L + 0 0 120 -2,-0.9 2,-0.4 2,-0.0 -1,-0.2 0.558 43.4 79.6-107.1 -12.3 -19.7 -6.4 7.0 6 -4 A Y 0 0 223 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.880 360.0 360.0-109.6 133.4 -16.4 -6.6 5.0 7 -3 A F 0 0 227 -2,-0.4 -2,-0.0 -3,-0.0 -3,-0.0 -0.996 360.0 360.0-143.6 360.0 -13.8 -3.8 5.0 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 4 A S 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.6 0.5 3.9 2.8 10 5 A I - 0 0 48 1,-0.1 58,-0.0 58,-0.0 61,-0.0 -0.765 360.0-120.7 -91.7 129.8 3.3 6.6 2.6 11 6 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.225 10.7-149.8 -66.5 156.3 2.1 10.1 3.7 12 7 A T - 0 0 83 9,-0.2 2,-0.3 59,-0.1 9,-0.2 -0.953 23.8-161.3-120.6 108.9 2.1 13.2 1.5 13 8 A L E -A 20 0A 29 7,-2.4 7,-3.6 -2,-0.5 2,-0.4 -0.697 5.1-151.6 -93.2 142.2 2.5 16.1 3.9 14 9 A R E +A 19 0A 109 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.936 15.9 176.5-111.8 134.0 1.7 19.7 3.1 15 10 A T - 0 0 22 3,-2.8 100,-0.1 -2,-0.4 99,-0.0 -0.584 51.4 -80.7-116.6-172.0 3.4 22.7 4.6 16 11 A E S S+ 0 0 170 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.949 125.9 4.8 -54.1 -50.9 3.1 26.4 4.0 17 12 A R S S+ 0 0 84 59,-0.1 59,-2.9 94,-0.1 2,-0.3 0.472 122.5 65.0-114.5 -8.9 5.4 26.3 1.0 18 13 A L E - B 0 75A 0 57,-0.2 -3,-2.8 59,-0.1 2,-0.5 -0.826 54.5-148.0-128.2 156.7 6.2 22.6 0.4 19 14 A T E -AB 14 74A 15 55,-2.6 55,-3.2 -2,-0.3 2,-0.7 -0.996 16.7-160.2-118.2 126.6 4.8 19.2 -0.5 20 15 A L E +AB 13 73A 0 -7,-3.6 -7,-2.4 -2,-0.5 53,-0.2 -0.940 29.1 163.3-110.3 109.4 6.6 16.3 1.2 21 16 A R E - B 0 72A 38 51,-2.4 51,-3.0 -2,-0.7 -9,-0.2 -0.764 38.2 -71.4-134.5 166.0 5.8 13.2 -0.8 22 17 A P - 0 0 38 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.226 53.1-101.3 -61.2 147.7 6.9 9.6 -1.5 23 18 A L - 0 0 18 47,-0.4 2,-0.3 36,-0.1 3,-0.0 -0.299 40.1-174.2 -59.7 145.7 10.0 8.7 -3.4 24 19 A A > - 0 0 46 1,-0.0 3,-2.1 -2,-0.0 4,-0.4 -0.959 39.1-110.1-139.0 158.1 9.7 7.7 -7.1 25 20 A X G > S+ 0 0 123 -2,-0.3 3,-1.9 1,-0.3 -1,-0.0 0.829 114.7 67.6 -58.5 -32.8 12.2 6.5 -9.6 26 21 A A G 3 S+ 0 0 89 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.693 95.4 59.2 -57.2 -22.3 11.9 9.8 -11.5 27 22 A D G <> S+ 0 0 16 -3,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.627 84.2 82.2 -81.1 -16.7 13.6 11.3 -8.5 28 23 A F H <> S+ 0 0 26 -3,-1.9 4,-2.9 -4,-0.4 5,-0.3 0.879 82.2 57.2 -63.4 -42.3 16.7 9.2 -8.7 29 24 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.930 111.5 40.8 -56.6 -47.2 18.7 11.1 -11.3 30 25 A A H > S+ 0 0 44 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.869 115.7 53.2 -68.7 -35.1 18.7 14.5 -9.5 31 26 A Y H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.924 110.4 46.1 -62.3 -44.2 19.4 12.6 -6.2 32 27 A R H X S+ 0 0 62 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.900 108.5 56.1 -67.7 -42.5 22.4 10.8 -7.7 33 28 A D H X S+ 0 0 113 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.945 112.7 43.1 -51.3 -47.7 23.7 14.1 -9.2 34 29 A F H >< S+ 0 0 12 -4,-2.3 3,-1.3 1,-0.2 6,-0.6 0.948 114.2 49.0 -63.4 -50.9 23.6 15.5 -5.7 35 30 A X H 3< S+ 0 0 5 -4,-2.7 12,-2.7 1,-0.3 -1,-0.2 0.735 110.7 50.2 -67.3 -22.9 25.1 12.5 -4.0 36 31 A A H 3< S+ 0 0 47 -4,-2.2 -1,-0.3 10,-0.2 -2,-0.2 0.590 102.6 83.0 -84.4 -12.6 28.0 12.2 -6.5 37 32 A S S X< S- 0 0 9 -3,-1.3 3,-1.6 -4,-0.6 4,-0.1 -0.434 90.9-110.0 -99.0 162.5 28.9 15.9 -6.1 38 33 A P G > S+ 0 0 105 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.756 110.4 76.1 -58.1 -24.9 31.0 17.9 -3.6 39 34 A R G > S+ 0 0 107 1,-0.3 3,-0.8 2,-0.1 -4,-0.1 0.811 87.0 61.2 -52.8 -32.1 27.6 19.4 -2.4 40 35 A S G X >S+ 0 0 0 -3,-1.6 5,-2.8 -6,-0.6 3,-2.4 0.451 70.2 99.4 -81.0 -2.0 27.0 16.1 -0.5 41 36 A T G X 5S+ 0 0 74 -3,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.860 78.8 59.4 -54.3 -35.6 30.1 16.4 1.7 42 37 A G G < 5S+ 0 0 30 -3,-0.8 95,-0.3 1,-0.3 -1,-0.3 0.517 106.5 45.8 -74.6 -7.9 27.7 17.7 4.5 43 38 A V G < 5S- 0 0 52 -3,-2.4 -1,-0.3 93,-0.1 -2,-0.2 -0.043 135.4 -86.0-117.0 28.6 25.7 14.5 4.4 44 39 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.498 84.4 171.0 87.2 7.7 28.8 12.3 4.4 45 40 A G < + 0 0 12 -5,-2.8 -1,-0.2 -7,-0.1 2,-0.2 -0.050 47.4 85.5 -84.8-173.5 29.4 12.4 0.6 46 41 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 0.578 62.7-170.4 -72.8 163.7 30.4 12.1 -2.1 47 42 A Y - 0 0 70 -12,-2.7 2,-0.1 -15,-0.2 -2,-0.1 -0.855 20.6-119.9-119.5 153.4 29.1 8.6 -2.7 48 43 A D > - 0 0 91 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.291 41.3 -96.2 -79.8 177.7 29.6 6.0 -5.4 49 44 A L H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 120.7 49.7 -66.9 -49.0 26.6 4.7 -7.3 50 45 A P H > S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.918 114.0 46.9 -56.7 -41.5 26.0 1.5 -5.4 51 46 A S H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 111.5 51.4 -65.9 -40.8 26.0 3.4 -2.1 52 47 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.930 111.7 47.0 -61.1 -44.6 23.7 6.1 -3.5 53 48 A W H X S+ 0 0 112 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.919 110.3 52.9 -62.9 -44.0 21.3 3.5 -4.7 54 49 A G H X S+ 0 0 38 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.918 110.7 46.3 -59.6 -44.9 21.4 1.7 -1.3 55 50 A V H X S+ 0 0 48 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.924 111.7 51.6 -63.0 -42.4 20.6 5.0 0.6 56 51 A F H X S+ 0 0 9 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.921 112.5 46.0 -60.5 -42.6 17.7 5.8 -1.8 57 52 A C H X S+ 0 0 49 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.910 111.9 50.6 -67.4 -39.2 16.3 2.3 -1.3 58 53 A H H X S+ 0 0 43 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 106.5 57.6 -58.7 -43.7 16.7 2.6 2.5 59 54 A D H < S+ 0 0 4 -4,-3.1 11,-2.5 1,-0.2 4,-0.3 0.881 116.1 33.3 -57.4 -41.2 14.9 6.0 2.3 60 55 A L H >X S+ 0 0 70 -4,-1.6 3,-1.4 9,-0.2 4,-0.5 0.935 116.7 54.6 -78.7 -48.3 11.9 4.4 0.7 61 56 A A H 3X S+ 0 0 26 -4,-3.3 4,-2.1 1,-0.3 3,-0.3 0.726 89.1 75.6 -64.2 -26.2 12.0 1.0 2.5 62 57 A N H 3X>S+ 0 0 4 -4,-2.2 4,-3.2 1,-0.2 6,-0.8 0.839 89.1 61.1 -55.2 -33.5 12.0 2.6 6.0 63 58 A W H <>5S+ 0 0 21 -3,-1.4 4,-1.8 -4,-0.3 -1,-0.2 0.960 108.0 42.0 -58.1 -50.0 8.3 3.3 5.6 64 59 A H H <5S+ 0 0 167 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.876 122.5 40.2 -61.8 -41.0 7.5 -0.4 5.2 65 60 A F H <5S+ 0 0 139 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.818 135.8 8.7 -81.2 -35.7 9.8 -1.5 8.0 66 61 A F H <5S- 0 0 75 -4,-3.2 -3,-0.2 2,-0.4 -2,-0.2 0.512 92.9-110.6-128.0 -13.7 9.3 1.2 10.6 67 62 A G S <>> -BC 18 80A 31 5,-2.5 3,-1.8 -2,-0.3 5,-0.6 -0.668 66.8 -61.2 -77.2 120.2 7.8 23.4 -4.0 76 71 A G T 345S- 0 0 21 -59,-2.9 3,-0.2 -2,-0.6 -2,-0.1 -0.079 103.5 -34.1 50.0-133.6 4.1 24.0 -3.5 77 72 A E T 345S+ 0 0 152 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.204 118.2 95.3 -99.4 12.3 1.8 22.4 -6.1 78 73 A T T <45S- 0 0 101 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.635 84.1-133.1 -82.8 -18.5 4.5 22.9 -8.8 79 74 A G T <5 + 0 0 49 -4,-0.5 2,-0.8 -3,-0.2 -3,-0.1 0.531 53.8 146.7 74.1 5.5 6.1 19.5 -8.6 80 75 A E E < -C 75 0A 98 -5,-0.6 -5,-2.5 1,-0.0 2,-0.5 -0.684 42.6-142.7 -77.8 114.8 9.6 21.0 -8.7 81 76 A C E +C 74 0A 33 -2,-0.8 -7,-0.3 -7,-0.2 3,-0.1 -0.664 29.2 167.6 -86.7 123.7 11.8 18.8 -6.5 82 77 A I E - 0 0 0 -9,-3.0 21,-2.8 -2,-0.5 2,-0.3 0.389 56.0 -52.7-119.1 -3.2 14.3 20.6 -4.3 83 78 A G E -CD 73 102A 0 -10,-0.9 -10,-2.6 19,-0.3 2,-0.3 -0.993 56.8 -81.5 161.0-152.9 15.6 18.0 -1.9 84 79 A Q E -CD 72 101A 14 17,-2.4 17,-2.3 -2,-0.3 2,-0.3 -0.996 17.2-166.4-153.4 146.1 14.6 15.4 0.7 85 80 A I E +CD 71 100A 0 -14,-2.7 -14,-3.4 -2,-0.3 2,-0.3 -0.973 25.3 159.9-130.6 144.4 13.6 15.1 4.4 86 81 A G E -CD 70 99A 3 13,-2.4 13,-2.6 -2,-0.3 2,-0.5 -1.000 39.8-133.3-161.0 160.0 13.6 11.8 6.4 87 82 A I E - D 0 98A 0 -18,-1.3 2,-0.3 -2,-0.3 11,-0.2 -0.996 34.7-162.1-116.9 129.0 13.6 9.8 9.5 88 83 A N E + D 0 97A 15 9,-2.8 9,-2.2 -2,-0.5 2,-0.2 -0.828 19.4 151.0-112.1 141.0 16.0 6.9 9.5 89 84 A H + 0 0 52 -2,-0.3 3,-0.3 7,-0.2 -23,-0.1 -0.775 23.3 89.4-146.9-160.0 16.3 3.7 11.5 90 85 A G S > S- 0 0 16 3,-0.3 3,-2.1 -2,-0.2 -2,-0.0 -0.442 94.1 -34.1 94.1-174.1 17.6 0.2 11.2 91 86 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.617 132.6 54.7 -62.8 -15.1 21.1 -1.3 11.8 92 87 A L T 3 S+ 0 0 128 -3,-0.3 69,-0.2 1,-0.1 -2,-0.1 0.479 101.4 63.4 -98.0 -2.0 23.0 1.7 10.7 93 88 A F < - 0 0 41 -3,-2.1 -3,-0.3 1,-0.1 -1,-0.1 -0.947 62.4-160.3-127.5 109.3 21.3 4.2 13.0 94 89 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.799 84.8 14.0 -59.6 -29.2 21.7 3.8 16.8 95 90 A E S S- 0 0 38 64,-0.1 2,-0.1 -7,-0.1 -7,-0.1 -0.941 103.9 -76.9-136.7 160.7 18.5 6.0 17.3 96 91 A K - 0 0 49 -2,-0.3 37,-2.0 35,-0.1 2,-0.4 -0.406 59.8-156.5 -59.6 128.7 15.7 7.2 15.0 97 92 A E E -De 88 133A 17 -9,-2.2 -9,-2.8 35,-0.2 2,-0.5 -0.943 18.1-147.4-129.7 128.6 17.3 10.0 13.1 98 93 A L E +D 87 0A 0 35,-3.2 2,-0.3 -2,-0.4 -11,-0.2 -0.804 28.6 169.5 -93.3 124.9 16.0 13.1 11.3 99 94 A G E -D 86 0A 19 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.3 -0.945 10.2-176.2-135.6 159.8 18.0 14.2 8.2 100 95 A W E -D 85 0A 27 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.984 5.9-176.2-150.3 158.1 17.6 16.6 5.3 101 96 A L E -D 84 0A 14 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.4 -0.976 9.9-154.2-153.6 149.3 19.3 17.8 2.1 102 97 A L E -D 83 0A 22 -2,-0.3 -19,-0.3 -19,-0.2 3,-0.1 -0.981 21.6-122.1-124.5 140.3 18.6 20.5 -0.5 103 98 A Y > - 0 0 20 -21,-2.8 3,-1.4 -2,-0.4 4,-0.1 -0.338 52.0 -68.1 -74.3 162.8 19.7 20.5 -4.1 104 99 A E T 3 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.1 -70,-0.0 -0.205 117.9 26.3 -58.8 132.6 21.8 23.4 -5.4 105 100 A G T 3 S+ 0 0 52 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.325 100.1 84.5 103.0 -5.6 20.1 26.8 -5.7 106 101 A H X + 0 0 31 -3,-1.4 3,-0.5 -24,-0.1 5,-0.4 0.363 58.9 111.2-115.9 5.0 17.5 26.3 -2.9 107 102 A E T 3 + 0 0 102 1,-0.2 -4,-0.0 -4,-0.1 -3,-0.0 -0.231 63.1 39.3 -70.9 165.1 19.4 27.2 0.3 108 103 A G T 3 S+ 0 0 86 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 0.507 87.4 92.8 78.9 6.9 18.7 30.3 2.4 109 104 A R S < S- 0 0 126 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.194 100.0-108.7-115.9 12.7 14.9 30.3 2.1 110 105 A G S > S+ 0 0 31 1,-0.1 4,-2.1 3,-0.0 5,-0.2 0.611 77.6 132.4 71.5 15.6 14.2 28.3 5.3 111 106 A Y H > + 0 0 32 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.898 67.7 51.0 -67.2 -41.4 13.1 25.2 3.3 112 107 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.950 113.2 45.3 -62.9 -47.1 15.1 22.7 5.2 113 108 A A H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.901 112.6 51.9 -61.7 -40.1 13.8 23.9 8.6 114 109 A E H X S+ 0 0 31 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.925 113.7 42.8 -64.6 -45.0 10.2 24.0 7.3 115 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.915 114.7 51.2 -65.4 -42.0 10.4 20.4 6.0 116 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.898 108.5 50.6 -63.9 -44.3 12.2 19.2 9.2 117 112 A V H X S+ 0 0 49 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.920 111.1 50.2 -58.8 -44.0 9.6 20.8 11.5 118 113 A A H X S+ 0 0 22 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.933 116.4 38.5 -63.6 -47.8 6.8 19.2 9.5 119 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.892 115.7 53.0 -74.5 -38.6 8.2 15.7 9.6 120 115 A R H X S+ 0 0 38 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.942 113.0 44.3 -53.7 -52.5 9.5 16.0 13.2 121 116 A D H X S+ 0 0 45 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.899 111.3 53.2 -62.9 -43.3 6.0 17.1 14.4 122 117 A W H X>S+ 0 0 42 -4,-2.2 4,-3.0 -5,-0.2 5,-0.8 0.909 110.9 48.0 -56.9 -43.1 4.3 14.3 12.4 123 118 A A H X5S+ 0 0 0 -4,-2.4 6,-1.4 3,-0.2 4,-0.9 0.916 114.8 43.7 -65.4 -44.8 6.6 11.7 14.0 124 119 A F H <5S+ 0 0 21 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.876 124.0 36.4 -67.9 -36.9 6.1 13.0 17.5 125 120 A E H <5S+ 0 0 135 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.928 128.7 28.2 -83.4 -47.1 2.3 13.4 17.0 126 121 A T H <5S+ 0 0 82 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.865 132.8 31.9 -88.0 -40.0 1.4 10.4 14.8 127 122 A L S < - 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