==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-OCT-03 1R5A . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES CRACENS; . AUTHOR A.J.OAKLEY . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 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 . 2 0.9 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.2 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 0 0 0 0 0 2 0 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 96 0, 0.0 2,-0.4 0, 0.0 58,-0.3 0.000 360.0 360.0 360.0 138.1 135.2 19.7 -10.8 2 3 A T E -a 27 0A 5 24,-2.1 26,-2.5 56,-0.1 2,-0.3 -0.898 360.0-124.5-111.2 137.9 132.8 19.7 -7.9 3 4 A V E -aB 28 57A 25 54,-1.9 54,-2.2 -2,-0.4 2,-0.4 -0.633 27.4-176.9 -84.4 141.9 129.4 18.1 -8.2 4 5 A L E -aB 29 56A 1 24,-1.7 26,-2.1 -2,-0.3 2,-0.6 -0.967 18.9-152.5-142.1 119.8 126.3 20.1 -7.4 5 6 A Y E +aB 30 55A 45 50,-2.5 50,-1.4 -2,-0.4 2,-0.3 -0.837 45.0 143.8 -89.3 122.0 122.7 18.9 -7.4 6 7 A Y E -a 31 0A 30 24,-1.8 26,-2.9 -2,-0.6 3,-0.1 -0.879 50.7-130.2-149.4-178.3 120.7 22.0 -8.3 7 8 A L > - 0 0 49 -2,-0.3 3,-1.3 24,-0.2 6,-0.2 -0.958 25.3-135.3-142.6 116.6 117.8 23.6 -10.0 8 9 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.855 103.5 48.8 -39.6 -53.7 118.5 26.7 -12.1 9 10 A A T 3 S+ 0 0 16 -3,-0.1 198,-0.1 4,-0.1 5,-0.1 0.784 85.5 110.1 -62.4 -28.9 115.6 28.8 -10.8 10 11 A S <> - 0 0 19 -3,-1.3 4,-2.0 1,-0.1 -3,-0.1 -0.259 62.4-147.7 -55.3 120.9 116.4 28.0 -7.2 11 12 A P H > S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.897 98.3 50.0 -56.2 -45.4 117.8 31.1 -5.3 12 13 A P H > S+ 0 0 26 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.878 110.3 51.0 -62.7 -37.9 120.1 29.1 -3.0 13 14 A C H > S+ 0 0 0 -6,-0.2 4,-2.0 1,-0.2 5,-0.1 0.876 105.8 55.9 -67.9 -36.0 121.5 27.3 -6.0 14 15 A R H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.788 99.8 58.5 -68.2 -29.5 122.2 30.5 -7.8 15 16 A S H X S+ 0 0 6 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.992 109.6 45.2 -60.9 -55.0 124.3 31.9 -5.0 16 17 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.856 112.5 50.9 -53.6 -42.1 126.6 28.8 -5.4 17 18 A L H X S+ 0 0 19 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.922 110.1 48.7 -65.7 -44.7 126.7 29.2 -9.2 18 19 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.977 114.7 44.1 -58.7 -58.7 127.6 32.8 -9.1 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.945 114.0 50.8 -50.6 -54.9 130.4 32.4 -6.6 20 21 A A H <>S+ 0 0 1 -4,-2.6 5,-2.4 -5,-0.2 4,-0.4 0.907 113.4 45.1 -51.3 -46.4 131.7 29.3 -8.4 21 22 A K H ><5S+ 0 0 115 -4,-2.8 3,-0.7 3,-0.2 -1,-0.2 0.900 112.8 52.7 -66.4 -37.8 131.7 31.2 -11.7 22 23 A M H 3<5S+ 0 0 22 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 117.7 34.4 -65.1 -44.0 133.4 34.1 -10.0 23 24 A I T 3<5S- 0 0 18 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.241 113.8-110.9 -97.7 15.3 136.3 32.1 -8.5 24 25 A G T < 5 + 0 0 59 -3,-0.7 2,-0.8 -4,-0.4 -3,-0.2 0.786 57.4 158.5 66.5 31.0 136.6 29.7 -11.3 25 26 A V < - 0 0 15 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.801 38.0-135.4 -89.7 113.3 135.3 26.5 -9.6 26 27 A E - 0 0 132 -2,-0.8 -24,-2.1 1,-0.0 2,-0.5 -0.507 20.3-150.4 -69.9 130.2 134.3 24.2 -12.4 27 28 A L E -a 2 0A 28 -2,-0.3 2,-1.0 -26,-0.2 -24,-0.2 -0.905 16.1-152.4-113.1 130.8 130.9 22.5 -11.7 28 29 A D E -a 3 0A 74 -26,-2.5 -24,-1.7 -2,-0.5 2,-0.2 -0.857 35.7-146.7 -93.9 99.4 129.7 19.1 -12.8 29 30 A L E -a 4 0A 71 -2,-1.0 2,-0.4 -26,-0.2 -24,-0.2 -0.483 25.4-178.9 -80.1 139.5 125.9 19.9 -12.7 30 31 A K E -a 5 0A 88 -26,-2.1 -24,-1.8 -2,-0.2 2,-0.1 -0.890 21.9-142.7-136.2 100.5 123.1 17.5 -11.9 31 32 A V E -a 6 0A 73 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.419 10.3-160.7 -67.5 135.6 119.6 19.1 -12.1 32 33 A L - 0 0 16 -26,-2.9 2,-1.7 -2,-0.1 3,-0.1 -0.901 9.5-148.5-121.1 99.9 117.3 17.9 -9.5 33 34 A N > + 0 0 45 -2,-0.6 5,-2.3 1,-0.2 3,-0.5 -0.513 19.5 177.9 -72.0 91.1 113.7 18.5 -10.5 34 35 A I T > 5S+ 0 0 59 -2,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.781 76.8 64.2 -64.5 -27.3 112.2 19.0 -7.0 35 36 A M T 3 5S+ 0 0 185 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.903 106.8 40.9 -64.3 -41.4 108.9 19.7 -8.6 36 37 A E T 3 5S- 0 0 150 -3,-0.5 -1,-0.3 0, 0.0 -2,-0.2 0.385 120.9-114.4 -85.7 2.2 108.7 16.1 -9.9 37 38 A G T X 5 + 0 0 22 -3,-0.7 3,-1.5 -4,-0.2 -3,-0.2 0.729 65.3 148.0 73.5 26.9 110.1 15.0 -6.6 38 39 A E G > < + 0 0 57 -5,-2.3 3,-1.3 1,-0.3 6,-0.2 0.771 66.4 65.3 -63.6 -27.3 113.5 13.7 -7.7 39 40 A Q G 3 S+ 0 0 22 1,-0.2 -1,-0.3 -6,-0.2 -5,-0.1 0.689 91.4 66.1 -68.9 -15.6 115.2 14.7 -4.5 40 41 A L G < S+ 0 0 98 -3,-1.5 -1,-0.2 4,-0.1 -2,-0.2 0.568 73.6 116.8 -83.0 -8.4 113.0 12.2 -2.7 41 42 A K S X> S- 0 0 121 -3,-1.3 4,-2.4 -4,-0.2 3,-1.7 -0.333 77.3-113.1 -63.9 142.1 114.7 9.2 -4.3 42 43 A P H 3> S+ 0 0 87 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.788 111.4 53.2 -39.6 -49.4 116.5 6.8 -2.0 43 44 A D H 34 S+ 0 0 127 2,-0.2 4,-0.4 1,-0.2 -2,-0.1 0.728 113.2 41.6 -70.5 -21.3 120.0 7.5 -3.3 44 45 A F H <> S+ 0 0 12 -3,-1.7 4,-3.7 2,-0.2 3,-0.3 0.869 114.4 51.2 -87.9 -41.8 119.8 11.2 -2.8 45 46 A V H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.3 6,-0.2 0.742 109.4 52.4 -63.2 -23.2 118.1 11.0 0.5 46 47 A E T < S+ 0 0 143 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.787 112.6 45.7 -80.5 -28.2 120.9 8.6 1.4 47 48 A L T 4 S+ 0 0 45 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.1 0.937 131.1 16.6 -76.8 -49.1 123.3 11.3 0.3 48 49 A N >< - 0 0 0 -4,-3.7 3,-2.8 1,-0.1 -1,-0.3 -0.934 65.6-157.3-131.7 106.5 121.5 14.2 2.1 49 50 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.896 99.8 49.5 -46.4 -50.8 119.0 13.3 4.9 50 51 A Q T 3 S- 0 0 116 2,-0.1 -5,-0.1 1,-0.1 0, 0.0 0.453 100.9-145.7 -71.2 0.8 117.2 16.7 4.5 51 52 A H < + 0 0 70 -3,-2.8 2,-0.3 -7,-0.2 -6,-0.1 0.820 47.1 134.7 31.5 61.1 117.1 15.9 0.7 52 53 A C - 0 0 34 -8,-0.1 -1,-0.1 2,-0.1 -47,-0.1 -0.838 44.9 -83.6-130.3 167.7 117.5 19.5 -0.5 53 54 A I S S+ 0 0 17 -2,-0.3 -40,-0.2 1,-0.1 -47,-0.1 -0.950 92.8 49.8-127.6 151.8 119.4 21.6 -3.0 54 55 A P S S+ 0 0 3 0, 0.0 11,-1.1 0, 0.0 2,-0.4 0.369 71.4 167.2 -71.1 148.0 122.0 22.9 -3.4 55 56 A T E -BC 5 64A 0 -50,-1.4 -50,-2.5 9,-0.2 2,-0.4 -0.997 17.5-156.5-130.7 124.4 123.9 19.8 -2.4 56 57 A M E -BC 4 63A 1 7,-3.5 7,-2.1 -2,-0.4 2,-0.4 -0.821 15.3-172.5-106.4 144.3 127.6 19.6 -3.1 57 58 A D E -BC 3 62A 33 -54,-2.2 -54,-1.9 -2,-0.4 2,-1.3 -0.849 10.1-175.6-131.0 89.3 129.8 16.5 -3.4 58 59 A D E > S- C 0 61A 8 3,-3.1 3,-1.7 -2,-0.4 -56,-0.1 -0.707 75.8 -43.9 -92.8 88.8 133.4 17.8 -3.6 59 60 A H T 3 S- 0 0 153 -2,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.960 125.8 -34.2 53.9 56.9 135.3 14.7 -4.2 60 61 A G T 3 S+ 0 0 58 1,-0.2 2,-1.1 -3,-0.1 -1,-0.3 0.010 111.9 119.2 90.0 -31.1 133.4 12.7 -1.6 61 62 A L E < -C 58 0A 83 -3,-1.7 -3,-3.1 -4,-0.1 2,-0.3 -0.597 49.9-163.8 -73.7 103.5 133.0 15.7 0.7 62 63 A V E +C 57 0A 44 -2,-1.1 2,-0.3 -5,-0.3 -5,-0.2 -0.680 19.3 155.7 -87.7 144.3 129.2 16.0 0.8 63 64 A L E -C 56 0A 41 -7,-2.1 -7,-3.5 -2,-0.3 2,-0.3 -0.951 17.8-169.5-166.8 145.0 127.7 19.3 2.1 64 65 A W E +C 55 0A 71 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.924 43.5 85.4-139.1 165.9 124.5 21.3 1.8 65 66 A E >> - 0 0 66 -11,-1.1 3,-2.1 -2,-0.3 4,-1.9 0.662 67.2-125.2 102.9 96.0 123.1 24.8 2.7 66 67 A S H 3> S+ 0 0 4 1,-0.3 4,-1.7 2,-0.2 3,-0.0 0.803 108.2 49.8 -34.4 -50.7 124.0 27.4 0.0 67 68 A R H 3> S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.782 109.1 51.0 -68.6 -25.7 125.7 29.8 2.4 68 69 A V H <> S+ 0 0 66 -3,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.850 108.8 52.8 -77.1 -31.5 127.9 27.0 3.9 69 70 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.848 105.4 56.3 -70.2 -31.9 128.9 26.1 0.4 70 71 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.990 110.7 40.9 -62.4 -58.6 129.9 29.7 -0.3 71 72 A S H X S+ 0 0 26 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.922 118.4 50.0 -55.0 -46.4 132.3 29.9 2.7 72 73 A Y H >X S+ 0 0 53 -4,-2.3 4,-2.6 2,-0.2 3,-0.9 0.984 110.2 45.5 -56.3 -66.3 133.6 26.4 1.9 73 74 A L H 3X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.3 5,-0.3 0.863 114.3 51.8 -46.7 -40.7 134.2 26.8 -1.9 74 75 A V H 3X S+ 0 0 17 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.3 0.847 112.0 44.7 -67.4 -34.8 135.9 30.1 -1.1 75 76 A S H << S+ 0 0 81 -4,-1.9 -2,-0.2 -3,-0.9 -1,-0.2 0.787 119.4 43.5 -78.8 -27.6 138.1 28.5 1.5 76 77 A A H < S+ 0 0 42 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.811 135.6 7.6 -86.7 -32.8 138.9 25.6 -0.8 77 78 A Y H < S+ 0 0 90 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.343 90.0 124.0-134.9 6.6 139.5 27.4 -4.1 78 79 A G < + 0 0 30 -4,-1.4 2,-0.1 -5,-0.3 4,-0.1 -0.125 28.9 165.5 -65.2 168.8 139.5 31.2 -3.5 79 80 A K - 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 -0.312 57.2 -3.7-145.8-129.8 142.4 33.3 -4.5 80 81 A D S S+ 0 0 129 -2,-0.1 -2,-0.1 2,-0.1 2,-0.0 0.708 112.4 82.3 -50.3 -29.0 143.4 37.0 -5.1 81 82 A E S S- 0 0 56 1,-0.1 3,-0.1 2,-0.0 73,-0.1 -0.257 72.1-148.3 -72.0 168.1 139.8 37.9 -4.3 82 83 A N + 0 0 51 71,-0.3 70,-0.1 1,-0.1 -2,-0.1 -0.484 39.3 147.5-139.5 66.7 138.8 38.2 -0.6 83 84 A L S S+ 0 0 7 1,-0.3 72,-2.9 71,-0.2 73,-0.2 0.424 79.6 36.2 -79.3 -2.6 135.1 37.1 -0.7 84 85 A Y S S- 0 0 24 70,-0.2 -1,-0.3 -10,-0.1 7,-0.1 -0.592 91.1-137.4-155.3 84.2 135.6 35.7 2.8 85 86 A P - 0 0 6 0, 0.0 6,-0.1 0, 0.0 9,-0.1 -0.061 1.0-147.7 -45.9 132.1 138.0 37.7 5.0 86 87 A K S S+ 0 0 156 4,-0.1 2,-0.2 5,-0.1 5,-0.0 0.882 75.9 93.6 -72.2 -39.7 140.5 35.8 7.1 87 88 A D S >> S- 0 0 56 1,-0.2 4,-3.2 2,-0.1 3,-0.6 -0.372 72.4-147.5 -57.1 120.3 140.4 38.3 10.0 88 89 A F H 3> S+ 0 0 160 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.848 96.1 61.7 -61.4 -33.8 137.8 36.9 12.3 89 90 A R H 3> S+ 0 0 178 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.904 115.0 35.6 -59.0 -38.2 136.8 40.3 13.4 90 91 A S H <> S+ 0 0 50 -3,-0.6 4,-1.7 2,-0.2 3,-0.3 0.883 112.5 56.8 -81.7 -42.3 135.8 40.9 9.8 91 92 A R H X S+ 0 0 65 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.873 100.0 63.3 -57.3 -35.2 134.6 37.4 9.0 92 93 A A H X S+ 0 0 48 -4,-2.6 4,-3.7 1,-0.2 -1,-0.2 0.941 102.0 48.0 -54.8 -51.1 132.1 37.8 11.9 93 94 A I H X S+ 0 0 49 -4,-0.8 4,-2.2 -3,-0.3 -1,-0.2 0.907 113.0 48.3 -57.2 -43.9 130.3 40.6 10.2 94 95 A V H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.880 113.4 47.9 -65.2 -38.0 130.1 38.6 6.9 95 96 A D H >X S+ 0 0 50 -4,-3.0 4,-2.4 2,-0.2 3,-0.9 0.986 109.1 53.6 -65.0 -54.2 128.8 35.6 8.8 96 97 A Q H 3X S+ 0 0 81 -4,-3.7 4,-2.3 1,-0.3 -2,-0.2 0.856 109.8 48.2 -44.9 -45.4 126.3 37.8 10.6 97 98 A R H 3X S+ 0 0 18 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.838 109.9 51.2 -69.5 -32.4 125.0 39.1 7.3 98 99 A L H S+ 0 0 15 -4,-2.3 4,-1.7 -5,-0.3 5,-1.5 0.946 110.6 45.3 -53.2 -49.3 120.6 37.5 8.6 101 102 A D H <>S+ 0 0 2 -4,-1.9 5,-2.0 3,-0.2 6,-0.8 0.925 117.6 41.7 -62.0 -50.4 119.8 36.4 5.1 102 103 A L H <5S+ 0 0 69 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.968 126.4 30.9 -65.7 -53.1 119.1 32.8 6.0 103 104 A G H <5S+ 0 0 51 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.529 136.8 10.2 -86.7 -5.1 117.2 33.3 9.2 104 105 A T T X5S+ 0 0 34 -4,-1.7 4,-2.3 -5,-0.4 -3,-0.2 0.535 121.5 36.5-133.2 -75.4 115.6 36.7 8.4 105 106 A L H >> S+ 0 0 91 -6,-0.8 4,-1.6 -5,-0.3 -1,-0.2 0.918 108.1 47.4 -52.7 -46.1 113.1 33.4 5.2 108 109 A R H 3X S+ 0 0 43 -4,-2.3 4,-1.2 2,-0.2 -1,-0.3 0.655 107.9 55.8 -70.4 -18.5 110.5 36.2 5.1 109 110 A V H > S+ 0 0 40 0, 0.0 4,-4.3 0, 0.0 6,-0.8 0.978 109.5 40.0 -59.4 -54.3 103.1 29.6 -0.8 116 117 A T H 3> S+ 0 0 15 -3,-0.4 4,-0.8 4,-0.3 -2,-0.2 0.785 118.2 51.9 -62.9 -25.0 101.2 31.3 -3.6 117 118 A I H 3< S+ 0 0 17 -4,-1.4 -1,-0.3 2,-0.2 -3,-0.2 0.684 120.0 33.1 -82.8 -21.3 104.0 30.0 -5.8 118 119 A H H << S+ 0 0 123 -4,-1.8 -2,-0.2 -3,-0.7 -1,-0.1 0.738 141.9 7.8-105.4 -31.4 103.5 26.4 -4.5 119 120 A L H < S- 0 0 148 -4,-4.3 -3,-0.2 -5,-0.2 -2,-0.2 0.169 98.1-107.4-138.3 17.8 99.8 26.2 -3.8 120 121 A G < + 0 0 41 -4,-0.8 -4,-0.3 -5,-0.5 -3,-0.1 0.785 58.3 171.7 59.8 27.1 98.4 29.4 -5.2 121 122 A A - 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