==== 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 25-MAY-04 1TEX . COMPND 2 MOLECULE: STF0 SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR J.D.MOUGOUS,C.J.PETZOLD,R.H.SENARATNE,D.H.LEE,D.L.AKEY,F.L.L . 973 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 6 0 0 0 5 4 1 7 0 2 4 0 0 0 4 0 0 0 0 0 3 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 5 0 4 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 . 5 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 4 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 D 0 0 156 0, 0.0 219,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 39.4 -62.1 15.5 -12.0 2 4 A H - 0 0 57 218,-0.1 2,-0.5 217,-0.1 217,-0.1 -0.398 360.0-140.4 -66.5 130.6 -62.2 14.5 -8.3 3 5 A P - 0 0 57 0, 0.0 129,-0.0 0, 0.0 91,-0.0 -0.845 26.9-156.5 -77.0 132.6 -63.9 16.6 -5.5 4 6 A T + 0 0 62 -2,-0.5 91,-2.0 90,-0.1 2,-0.3 0.001 56.5 52.9-117.6 32.2 -61.2 15.9 -2.9 5 7 A A E -a 95 0A 2 128,-0.4 130,-2.4 89,-0.2 2,-0.4 -0.964 55.7-162.2-162.9 139.8 -62.9 16.5 0.4 6 8 A Y E -ab 96 135A 0 89,-2.1 91,-1.3 -2,-0.3 2,-0.3 -0.995 3.9-161.7-129.8 136.1 -66.0 15.3 2.3 7 9 A L E -ab 97 136A 0 128,-1.1 130,-1.6 -2,-0.4 2,-0.6 -0.838 11.8-149.3 -96.5 148.1 -67.9 16.6 5.3 8 10 A V E -ab 98 137A 0 89,-1.1 91,-2.7 -2,-0.3 2,-0.5 -0.981 16.1-160.1-110.5 113.5 -70.3 14.4 7.2 9 11 A L E +ab 99 138A 0 128,-3.0 130,-1.3 -2,-0.6 91,-0.2 -0.841 38.1 109.1 -94.1 128.3 -73.0 16.6 8.5 10 12 A A E -a 100 0A 0 89,-2.0 91,-1.6 -2,-0.5 2,-0.3 -0.646 56.6 -86.2-165.7-146.6 -74.9 15.0 11.4 11 13 A S > - 0 0 1 89,-0.2 3,-1.2 -2,-0.2 5,-0.2 -0.970 56.4 -63.4-155.7 156.2 -75.7 15.0 15.1 12 14 A Q T 3 S+ 0 0 16 -2,-0.3 139,-0.2 1,-0.3 3,-0.1 -0.141 116.4 1.0 -54.3 121.2 -74.2 13.5 18.3 13 15 A R T 3 S+ 0 0 63 1,-0.1 -1,-0.3 147,-0.1 2,-0.2 0.893 93.8 129.8 67.3 37.6 -74.2 9.7 18.3 14 16 A S S X S- 0 0 11 -3,-1.2 3,-0.7 125,-0.1 4,-0.3 -0.316 88.8 -76.3 -88.8-166.8 -75.8 9.2 14.9 15 17 A G T >> S+ 0 0 1 1,-0.2 3,-2.6 -2,-0.2 4,-1.8 0.724 107.8 109.1 -59.6 -18.1 -74.1 6.8 12.5 16 18 A S H 3> S+ 0 0 3 1,-0.3 4,-2.0 -5,-0.2 -1,-0.2 0.651 76.4 39.9 -26.9 -58.9 -71.7 9.7 12.1 17 19 A T H <> S+ 0 0 39 -3,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.707 113.2 54.9 -70.2 -27.5 -68.7 8.2 13.9 18 20 A L H <> S+ 0 0 73 -3,-2.6 4,-1.3 -4,-0.3 -2,-0.2 0.893 111.9 42.9 -79.6 -37.4 -69.2 4.7 12.4 19 21 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 3,-0.4 0.965 114.3 50.5 -65.3 -53.0 -69.2 5.9 8.8 20 22 A V H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.917 109.3 49.0 -60.7 -46.0 -66.3 8.2 9.4 21 23 A E H X S+ 0 0 30 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.836 107.6 55.6 -65.3 -31.6 -64.0 5.7 11.0 22 24 A S H >X S+ 0 0 30 -4,-1.3 4,-0.9 -3,-0.4 3,-0.7 0.975 107.9 48.5 -62.9 -53.8 -64.6 3.1 8.3 23 25 A L H >X>S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.3 5,-0.6 0.855 107.0 57.9 -47.1 -44.0 -63.5 5.6 5.7 24 26 A R H ><5S+ 0 0 8 -4,-2.1 3,-1.0 1,-0.3 -1,-0.3 0.866 97.8 59.6 -60.4 -34.8 -60.5 6.3 7.8 25 27 A A H <<5S+ 0 0 40 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.832 90.8 73.0 -64.7 -25.5 -59.6 2.6 7.6 26 28 A T H <<5S- 0 0 5 -4,-0.9 -1,-0.2 -3,-0.8 379,-0.2 0.817 91.2-142.1 -53.0 -39.3 -59.4 3.1 3.9 27 29 A G T <<5S+ 0 0 9 -3,-1.0 377,-0.4 -4,-0.6 65,-0.2 0.615 89.0 75.9 82.1 15.4 -56.1 5.0 4.1 28 30 A V S + 0 0 46 63,-0.2 3,-2.1 1,-0.2 4,-0.2 -0.481 53.3 167.5 -94.2 68.1 -64.6 16.6 14.5 35 37 A F T 3 + 0 0 3 -2,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.688 67.4 55.1 -60.7 -18.9 -62.4 19.7 13.9 36 38 A F T 3 S+ 0 0 8 62,-0.6 -1,-0.3 1,-0.2 71,-0.1 0.505 85.4 82.6 -96.5 1.5 -65.2 22.2 14.6 37 39 A Q < + 0 0 38 -3,-2.1 2,-0.2 69,-0.1 -1,-0.2 0.629 61.0 103.5 -82.0 -19.1 -66.3 21.0 18.0 38 40 A Y - 0 0 29 -3,-0.4 7,-0.2 -4,-0.2 293,-0.0 -0.510 65.4-134.3 -79.9 131.4 -63.7 22.8 20.3 39 41 A L > - 0 0 32 5,-2.6 4,-2.1 -2,-0.2 5,-0.3 -0.568 11.8-129.8 -83.2 149.5 -65.0 25.8 22.2 40 42 A P T 4 S+ 0 0 61 0, 0.0 33,-2.5 0, 0.0 -1,-0.1 0.738 101.3 50.5 -70.5 -28.3 -62.8 28.9 22.2 41 43 A N T 4 S+ 0 0 137 31,-0.2 -3,-0.0 1,-0.1 -2,-0.0 0.806 128.1 20.1 -82.6 -30.1 -62.8 29.6 25.9 42 44 A T T 4 S- 0 0 10 2,-0.2 29,-2.9 28,-0.1 -1,-0.1 0.641 88.7-137.7-108.5 -24.2 -61.8 26.1 27.0 43 45 A S S < S+ 0 0 7 -4,-2.1 2,-0.3 1,-0.3 -5,-0.1 0.854 73.2 95.5 58.2 35.3 -60.3 24.7 23.8 44 46 A M S S- 0 0 20 -5,-0.3 -5,-2.6 -7,-0.1 -1,-0.3 -0.910 86.2 -80.5-140.3 171.7 -62.1 21.4 24.4 45 47 A S - 0 0 14 -2,-0.3 -7,-0.1 -7,-0.2 -8,-0.0 -0.267 66.7 -77.2 -65.0 161.0 -65.4 19.8 23.3 46 48 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.329 53.5-143.3 -58.4 140.7 -68.6 21.0 25.2 47 49 A Q >> - 0 0 2 -3,-0.1 3,-4.0 21,-0.1 4,-1.1 -0.871 24.1 -98.6-113.2 151.8 -68.7 19.3 28.6 48 50 A P H >> S+ 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-0.6 0.747 122.4 51.0 -28.6 -63.7 -71.8 18.0 30.4 49 51 A R H 34 S+ 0 0 28 16,-0.6 18,-0.1 1,-0.3 12,-0.1 0.611 113.1 51.6 -56.5 -7.8 -72.3 21.0 32.7 50 52 A E H X4 S+ 0 0 65 -3,-4.0 3,-0.7 2,-0.1 -1,-0.3 0.821 107.8 48.0-100.2 -43.2 -72.1 23.0 29.5 51 53 A W H << S+ 0 0 50 -4,-1.1 2,-2.4 -3,-0.6 -2,-0.2 0.998 112.6 47.9 -57.9 -66.4 -74.6 21.2 27.5 52 54 A F T 3< S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.2 9,-0.1 -0.126 71.2 131.1 -74.9 48.5 -77.3 21.2 30.2 53 55 A A < 0 0 78 -2,-2.4 -1,-0.2 -3,-0.7 -2,-0.1 -0.042 360.0 360.0 -97.6 36.1 -77.0 24.9 31.0 54 56 A D 0 0 85 3,-0.1 3,-0.1 -3,-0.0 119,-0.1 -0.803 360.0 360.0-159.7 360.0 -80.8 25.7 30.9 55 ! 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 56 58 A E 0 0 190 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 43.7 -82.4 24.7 35.8 57 59 A D >> - 0 0 66 -3,-0.1 3,-2.3 1,-0.0 4,-1.2 -0.668 360.0-150.2-171.5 101.3 -82.6 21.6 37.9 58 60 A Q T 34 S+ 0 0 81 1,-0.3 -1,-0.0 2,-0.2 0, 0.0 0.399 92.0 81.2 -60.0 6.8 -80.2 20.0 40.5 59 61 A S T 34 S+ 0 0 40 2,-0.1 -1,-0.3 3,-0.1 3,-0.2 0.817 107.7 23.3 -80.2 -33.8 -81.7 16.6 39.4 60 62 A I T X> S+ 0 0 14 -3,-2.3 3,-4.1 2,-0.1 2,-3.0 0.876 110.5 70.6 -91.1 -55.0 -79.4 16.6 36.4 61 63 A L T 3< S+ 0 0 92 -4,-1.2 -3,-0.1 1,-0.3 -1,-0.1 0.218 100.3 54.1 -46.6 20.5 -76.6 18.9 37.6 62 64 A R T 34 S+ 0 0 207 -2,-3.0 -1,-0.3 -3,-0.2 -2,-0.1 0.427 101.0 54.2-134.8 -19.4 -75.7 16.1 40.0 63 65 A L T <4 S+ 0 0 34 -3,-4.1 2,-0.5 2,-0.1 -2,-0.2 0.579 97.3 87.9 -86.8 -11.0 -75.3 13.3 37.4 64 66 A L S < S- 0 0 16 -4,-0.9 92,-0.1 -16,-0.1 3,-0.1 -0.804 82.5-119.2-106.4 122.1 -72.8 15.5 35.5 65 67 A D - 0 0 72 -2,-0.5 -16,-0.6 91,-0.2 3,-0.1 -0.148 48.7 -98.3 -44.5 145.6 -69.0 15.7 36.1 66 68 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.326 45.6 -77.6 -83.5 160.0 -68.1 19.2 37.1 67 69 A L - 0 0 104 -3,-0.1 2,-0.1 -20,-0.1 -3,-0.0 -0.338 40.0-165.1 -64.3 108.9 -66.8 22.0 34.8 68 70 A I - 0 0 96 -2,-0.4 -21,-0.1 -3,-0.1 -1,-0.0 -0.377 13.8-145.0 -71.3 167.1 -63.1 21.6 34.0 69 71 A E + 0 0 151 1,-0.1 -1,-0.1 -2,-0.1 -25,-0.1 0.520 21.6 178.3-128.8 2.2 -61.8 24.8 32.5 70 72 A G - 0 0 30 -27,-0.1 -27,-0.2 1,-0.1 -28,-0.1 0.061 38.4 -72.4 42.8-135.7 -59.1 24.1 29.8 71 73 A K - 0 0 77 -29,-2.9 2,-0.1 255,-0.0 -1,-0.1 -0.997 41.7 -80.1-159.0 163.1 -57.6 27.1 28.0 72 74 A P - 0 0 78 0, 0.0 2,-1.1 0, 0.0 -31,-0.2 -0.402 40.1-126.1 -66.9 134.4 -58.1 30.0 25.5 73 75 A D + 0 0 41 -33,-2.5 -30,-0.1 1,-0.1 250,-0.0 -0.736 33.0 176.3 -83.1 103.5 -57.7 29.0 21.8 74 76 A L + 0 0 124 -2,-1.1 -1,-0.1 249,-0.0 249,-0.1 0.124 32.3 124.6 -98.4 19.7 -55.2 31.6 20.7 75 77 A A - 0 0 12 248,-0.1 -2,-0.1 4,-0.1 244,-0.0 -0.656 62.5-125.1 -83.4 124.7 -54.7 30.4 17.2 76 78 A P > - 0 0 62 0, 0.0 4,-2.8 0, 0.0 5,-0.1 -0.304 30.0-110.3 -55.9 156.3 -55.3 33.0 14.4 77 79 A A H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.830 116.7 59.2 -63.0 -33.7 -57.9 31.7 12.0 78 80 A T H > S+ 0 0 48 2,-0.2 4,-2.2 35,-0.2 -1,-0.2 0.969 111.0 40.7 -61.5 -50.8 -55.3 31.3 9.2 79 81 A I H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 112.1 56.7 -62.4 -42.8 -53.4 28.9 11.4 80 82 A W H X S+ 0 0 15 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.935 112.8 40.7 -52.8 -48.8 -56.5 27.2 12.6 81 83 A R H X S+ 0 0 22 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.781 111.6 55.4 -72.9 -31.8 -57.6 26.4 9.0 82 84 A D H >X S+ 0 0 30 -4,-2.2 4,-2.5 -5,-0.2 3,-0.8 0.990 110.3 47.4 -62.5 -52.2 -54.1 25.5 7.9 83 85 A Y H 3X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.3 5,-0.4 0.881 111.3 49.2 -53.6 -44.5 -54.0 22.9 10.7 84 86 A I H 3X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.798 111.5 51.9 -68.0 -27.8 -57.4 21.5 9.9 85 87 A Q H << S+ 0 0 55 -4,-1.3 4,-0.3 -3,-0.8 -1,-0.2 0.909 115.7 37.8 -78.7 -41.1 -56.5 21.2 6.3 86 88 A T H >< S+ 0 0 34 -4,-2.5 3,-2.3 2,-0.2 -2,-0.2 0.998 116.7 47.9 -75.8 -52.7 -53.3 19.4 6.8 87 89 A V H 3< S+ 0 0 8 -4,-2.3 -3,-0.2 1,-0.3 -1,-0.2 0.804 111.3 52.8 -56.1 -34.7 -54.3 17.1 9.7 88 90 A G T 3< S+ 0 0 0 -4,-1.2 8,-2.0 -5,-0.4 -57,-1.1 0.492 95.9 87.9 -78.1 -2.5 -57.6 16.0 7.9 89 91 A R B < -C 95 0A 30 -3,-2.3 6,-0.3 -4,-0.3 -60,-0.1 -0.665 64.5-144.2 -95.3 151.0 -55.8 15.0 4.7 90 92 A T > - 0 0 12 4,-2.4 3,-1.9 -2,-0.2 -62,-0.1 -0.594 39.6 -97.1 -94.2 174.2 -54.3 11.7 3.7 91 93 A P T 3 S+ 0 0 39 0, 0.0 312,-0.1 0, 0.0 -63,-0.1 0.757 124.1 64.5 -59.5 -25.3 -51.2 11.4 1.5 92 94 A N T 3 S- 0 0 50 310,-0.3 311,-0.1 -65,-0.2 -64,-0.1 0.639 120.3-111.8 -76.6 -11.8 -53.3 11.0 -1.5 93 95 A G S < S+ 0 0 46 -3,-1.9 2,-0.2 1,-0.3 -1,-0.1 0.419 71.5 136.7 99.2 1.1 -54.5 14.4 -0.8 94 96 A V - 0 0 4 -66,-0.1 -4,-2.4 -89,-0.0 2,-0.4 -0.574 37.7-155.0 -75.5 144.2 -58.1 13.7 0.2 95 97 A W E -aC 5 89A 10 -91,-2.0 -89,-2.1 -6,-0.3 2,-0.3 -0.947 13.2-179.8-118.4 140.8 -59.5 15.6 3.2 96 98 A G E +a 6 0A 0 -8,-2.0 -63,-0.5 -2,-0.4 -65,-0.3 -0.919 8.0 151.9-131.7 162.0 -62.4 14.3 5.4 97 99 A G E -a 7 0A 0 -91,-1.3 -89,-1.1 -2,-0.3 2,-0.3 -0.980 32.4-114.1-171.4-178.9 -64.1 15.6 8.5 98 100 A K E -a 8 0A 3 -65,-1.8 -62,-0.6 -2,-0.3 2,-0.3 -0.946 20.9-174.1-130.2 148.5 -67.3 15.8 10.6 99 101 A L E -a 9 0A 0 -91,-2.7 -89,-2.0 -2,-0.3 2,-0.4 -0.983 6.1-160.4-143.2 150.8 -69.6 18.6 11.3 100 102 A M E >> -a 10 0A 2 -2,-0.3 3,-3.5 -91,-0.2 4,-0.7 -0.998 30.5-117.2-142.9 134.4 -72.6 18.8 13.7 101 103 A W G >4 S+ 0 0 65 -91,-1.6 3,-1.1 -2,-0.4 -90,-0.1 0.756 113.0 58.2 -52.0 -29.8 -75.4 21.3 13.6 102 104 A N G 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.784 105.9 50.9 -72.9 -19.2 -74.5 22.6 17.0 103 105 A Q G X> S+ 0 0 3 -3,-3.5 4,-1.8 1,-0.2 3,-0.7 0.610 82.4 92.6 -87.8 -11.9 -71.1 23.5 15.8 104 106 A T H S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.860 107.7 54.8 -62.0 -35.2 -72.1 28.8 14.4 106 108 A L H <> S+ 0 0 41 -3,-0.7 4,-2.4 -4,-0.3 5,-0.2 0.959 106.3 50.9 -57.1 -55.1 -68.6 28.1 15.7 107 109 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.892 114.7 43.7 -43.0 -49.3 -67.4 27.4 12.2 108 110 A V H X S+ 0 0 46 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.892 112.5 50.0 -75.4 -38.8 -68.9 30.7 10.9 109 111 A Q H < S+ 0 0 125 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.861 114.9 46.5 -66.7 -30.7 -67.7 32.7 13.8 110 112 A R H >< S+ 0 0 43 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.852 108.1 54.9 -80.6 -34.7 -64.3 31.3 13.3 111 113 A A H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.661 82.9 87.5 -75.9 -16.7 -64.2 31.8 9.5 112 114 A K T 3< S+ 0 0 122 -4,-1.1 -1,-0.2 1,-0.3 5,-0.2 0.831 87.1 51.9 -57.2 -30.1 -65.0 35.5 9.7 113 115 A D T < S+ 0 0 104 -3,-0.8 -1,-0.3 -4,-0.3 -35,-0.2 0.225 77.7 122.1 -92.7 17.3 -61.3 36.4 10.0 114 116 A L X - 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