==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-SEP-10 2XR7 . COMPND 2 MOLECULE: MALONYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR B.A.MANJASETTY,X.H.YU,S.PANJIKAR,G.TAGUCHI,M.R.CHANCE,C.J.LI . 452 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 37 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 4 2 0 0 0 0 0 0 0 2 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 2 3 0 1 2 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 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 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 A 0 0 108 0, 0.0 102,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.0 -12.6 -44.4 30.2 2 3 A S E +A 102 0A 93 100,-0.2 100,-0.3 1,-0.1 3,-0.1 -0.646 360.0 175.2 -90.7 134.6 -12.4 -43.5 33.9 3 4 A V E - 0 0 42 98,-3.0 2,-0.2 -2,-0.3 99,-0.2 0.824 67.3 -25.1-101.0 -43.0 -9.2 -43.9 36.0 4 5 A I E -A 101 0A 59 97,-1.6 97,-2.6 2,-0.0 2,-0.5 -0.798 52.9-145.5-176.1 124.4 -9.9 -42.4 39.4 5 6 A E E -A 100 0A 69 -2,-0.2 2,-0.9 95,-0.2 95,-0.2 -0.908 2.0-158.0 -98.8 129.2 -12.3 -39.8 40.6 6 7 A Q E -A 99 0A 14 93,-2.8 93,-1.4 -2,-0.5 94,-0.0 -0.730 12.8-178.8 -98.5 76.6 -11.3 -37.5 43.4 7 8 A C S S+ 0 0 98 -2,-0.9 2,-0.4 91,-0.2 89,-0.2 0.795 76.9 46.4 -43.5 -31.4 -14.9 -36.6 44.4 8 9 A Q + 0 0 52 -3,-0.2 91,-0.1 91,-0.1 90,-0.1 -0.931 52.2 160.3-112.5 136.8 -13.0 -34.6 46.9 9 10 A V - 0 0 10 -2,-0.4 88,-0.8 89,-0.1 89,-0.0 -0.551 30.2-168.2-142.1 83.0 -10.0 -32.3 46.4 10 11 A V - 0 0 68 86,-0.2 58,-0.1 1,-0.1 86,-0.1 -0.210 28.1 -92.1 -71.1 156.6 -10.2 -30.1 49.5 11 12 A P - 0 0 16 0, 0.0 54,-0.2 0, 0.0 4,-0.2 -0.417 57.5 -81.6 -66.5 148.8 -8.1 -26.9 50.0 12 13 A S > - 0 0 15 52,-1.1 3,-2.0 49,-0.1 49,-0.0 -0.008 47.0 -93.4 -54.8 150.2 -4.7 -27.3 51.8 13 14 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 52,-0.0 0.734 119.4 59.6 -25.8 -53.6 -4.3 -27.5 55.6 14 15 A G T 3 S+ 0 0 80 2,-0.0 -2,-0.1 51,-0.0 2,-0.1 0.296 81.8 122.7 -72.8 13.1 -3.7 -23.7 56.1 15 16 A S < - 0 0 32 -3,-2.0 53,-0.1 -4,-0.2 54,-0.1 -0.334 64.5-106.9 -84.2 156.0 -7.1 -22.6 54.6 16 17 A A - 0 0 59 52,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.332 17.2-145.6 -72.7 159.1 -9.8 -20.6 56.2 17 18 A T S S+ 0 0 87 1,-0.2 76,-0.8 76,-0.1 2,-0.5 0.823 79.5 54.6 -97.1 -40.2 -13.1 -22.3 57.3 18 19 A E E +F 92 0B 163 74,-0.1 -1,-0.2 72,-0.0 2,-0.2 -0.858 52.9 149.3 -98.0 124.7 -15.6 -19.5 56.5 19 20 A L E +F 91 0B 34 72,-1.5 72,-1.9 -2,-0.5 2,-0.4 -0.618 8.4 158.0-149.4 104.9 -15.9 -17.9 53.2 20 21 A T E -F 90 0B 71 70,-0.2 70,-0.3 -2,-0.2 -2,-0.0 -0.988 16.1-169.7-122.0 129.3 -19.3 -16.7 52.1 21 22 A L E -F 89 0B 16 68,-3.9 68,-3.9 -2,-0.4 2,-0.1 -0.960 14.2-143.0-124.4 115.2 -19.6 -14.0 49.4 22 23 A P E -F 88 0B 69 0, 0.0 2,-0.3 0, 0.0 66,-0.3 -0.444 37.2 -99.8 -73.5 151.2 -22.9 -12.2 48.5 23 24 A L - 0 0 16 64,-2.2 63,-0.1 -2,-0.1 143,-0.0 -0.550 26.8-140.5 -81.4 131.3 -23.3 -11.5 44.8 24 25 A T >> - 0 0 15 -2,-0.3 4,-1.2 1,-0.1 3,-0.8 -0.261 36.9-100.9 -69.3 171.3 -22.5 -8.1 43.3 25 26 A Y H 3> S+ 0 0 11 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.640 126.0 64.6 -69.7 -13.9 -24.8 -6.9 40.6 26 27 A F H 34 S+ 0 0 3 294,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.847 103.5 45.2 -71.1 -33.2 -22.1 -8.0 38.3 27 28 A D H X4 S+ 0 0 0 -3,-0.8 3,-1.0 1,-0.2 4,-0.3 0.805 94.3 77.5 -81.9 -29.8 -22.6 -11.6 39.4 28 29 A H H >< S+ 0 0 8 -4,-1.2 3,-1.9 1,-0.3 4,-0.2 0.850 88.5 52.5 -55.1 -50.2 -26.4 -11.8 39.2 29 30 A V G >< S+ 0 0 71 -4,-0.5 3,-1.7 1,-0.3 -1,-0.3 0.779 96.6 68.4 -59.3 -29.3 -27.0 -12.2 35.5 30 31 A W G X S+ 0 0 44 -3,-1.0 3,-1.3 -4,-0.3 135,-0.4 0.613 80.8 78.6 -72.5 -6.5 -24.7 -15.1 35.2 31 32 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.778 94.5 47.4 -68.9 -26.5 -27.1 -17.2 37.2 32 33 A A G < S+ 0 0 42 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.3 0.195 98.0 96.9 -99.5 12.9 -29.2 -17.6 34.1 33 34 A F S < S- 0 0 83 -3,-1.3 131,-0.2 1,-0.1 132,-0.2 -0.830 76.4-115.0-106.2 143.4 -26.2 -18.5 32.0 34 35 A H - 0 0 61 -2,-0.4 130,-0.5 1,-0.1 2,-0.1 0.086 46.8 -81.0 -60.2-178.0 -25.0 -22.0 31.0 35 36 A R - 0 0 10 128,-0.1 2,-0.4 196,-0.1 128,-0.2 -0.483 38.5-114.9 -96.8 164.0 -21.7 -23.2 32.3 36 37 A X E -B 162 0A 19 126,-2.9 126,-1.7 -2,-0.1 2,-0.4 -0.799 26.2-170.8-102.0 136.3 -18.2 -22.5 30.9 37 38 A R E +B 161 0A 11 -2,-0.4 369,-1.5 124,-0.2 368,-1.4 -0.981 10.3 165.9-133.3 120.9 -16.0 -25.2 29.4 38 39 A R E -BC 160 404A 29 122,-1.5 122,-2.0 -2,-0.4 2,-0.4 -0.972 13.5-162.3-128.9 145.1 -12.3 -24.8 28.4 39 40 A I E -BC 159 403A 1 364,-2.5 364,-2.2 -2,-0.4 2,-0.4 -0.975 4.0-160.4-126.7 147.2 -9.7 -27.4 27.6 40 41 A L E -BC 158 402A 0 118,-1.4 118,-2.2 -2,-0.4 2,-0.4 -0.995 10.2-156.3-122.4 126.2 -6.0 -27.3 27.4 41 42 A F E -BC 157 401A 0 360,-2.5 359,-3.0 -2,-0.4 360,-1.0 -0.852 4.3-165.1-102.4 139.4 -4.0 -29.8 25.5 42 43 A Y E -B 156 0A 1 114,-2.7 114,-1.6 -2,-0.4 2,-0.5 -0.979 16.5-137.2-125.4 116.8 -0.4 -30.6 26.3 43 44 A K E +B 155 0A 115 -2,-0.5 112,-0.3 355,-0.3 111,-0.1 -0.621 41.0 155.1 -73.9 121.7 1.8 -32.5 23.8 44 45 A L - 0 0 38 110,-3.4 2,-0.9 -2,-0.5 107,-0.1 -0.997 55.0-130.2-148.6 142.6 3.8 -35.1 25.7 45 46 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 109,-0.1 -0.116 58.8 158.2 -80.6 46.7 5.6 -38.4 25.2 46 47 A I - 0 0 8 -2,-0.9 107,-3.7 105,-0.2 108,-0.3 -0.557 31.6-152.5 -85.3 127.7 3.8 -39.7 28.4 47 48 A S - 0 0 41 -2,-0.3 4,-0.5 105,-0.2 104,-0.1 -0.346 28.7-112.9 -80.0 165.7 3.1 -43.4 29.3 48 49 A R S >> S+ 0 0 115 2,-0.2 4,-2.2 1,-0.1 3,-1.9 0.977 110.1 58.6 -66.3 -53.7 0.2 -44.5 31.5 49 50 A P H 3> S+ 0 0 84 0, 0.0 4,-3.2 0, 0.0 -1,-0.1 0.882 109.6 42.1 -37.6 -58.3 2.3 -45.7 34.5 50 51 A D H 3>>S+ 0 0 64 2,-0.3 5,-1.4 1,-0.2 4,-1.3 0.530 107.3 61.7 -80.0 -4.6 4.0 -42.3 35.1 51 52 A F H <4>S+ 0 0 1 -3,-1.9 5,-2.3 -4,-0.5 -1,-0.2 0.908 114.2 35.8 -76.1 -49.8 0.7 -40.5 34.5 52 53 A V H <5S+ 0 0 52 -4,-2.2 -2,-0.3 3,-0.2 -1,-0.1 0.923 120.9 49.4 -60.7 -48.8 -0.6 -42.4 37.5 53 54 A Q H <5S+ 0 0 133 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.886 133.5 0.1 -55.6 -48.1 2.8 -42.3 39.4 54 55 A T T X5S+ 0 0 67 -4,-1.3 4,-2.5 -5,-0.1 5,-0.4 0.832 121.3 56.5-116.2 -65.2 3.4 -38.6 38.9 55 56 A I H > S+ 0 0 47 0, 0.0 4,-2.9 0, 0.0 -2,-0.2 0.926 119.9 47.3 -47.0 -52.1 -0.3 -37.0 42.9 58 59 A T H X S+ 0 0 58 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.913 116.3 42.5 -60.1 -45.4 1.5 -33.8 41.8 59 60 A L H X S+ 0 0 2 -4,-3.1 4,-2.3 -5,-0.4 -1,-0.2 0.961 111.6 56.3 -61.6 -47.7 -1.6 -32.3 40.2 60 61 A K H X S+ 0 0 87 -4,-3.4 4,-1.6 -5,-0.3 -2,-0.2 0.891 113.8 40.6 -51.8 -46.8 -3.7 -33.4 43.2 61 62 A D H >X S+ 0 0 108 -4,-2.9 4,-2.0 -5,-0.3 3,-0.7 0.999 113.1 49.7 -63.6 -70.3 -1.4 -31.5 45.5 62 63 A S H 3X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.707 110.3 56.1 -42.1 -28.7 -0.7 -28.4 43.5 63 64 A L H 3X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.3 0.971 105.5 45.5 -72.6 -52.7 -4.5 -28.1 43.1 64 65 A S H X S+ 0 0 1 -4,-1.5 3,-2.3 -5,-0.3 4,-1.8 0.945 106.4 55.4 -57.9 -50.9 -4.2 -23.4 44.7 67 68 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.716 91.6 70.2 -60.5 -26.9 -7.7 -23.6 46.1 68 69 A K T 3< S+ 0 0 29 -4,-1.6 -1,-0.3 -3,-0.4 -52,-0.3 0.772 111.9 34.8 -58.6 -25.3 -6.5 -22.3 49.5 69 70 A Y T <4 S+ 0 0 56 -3,-2.3 2,-1.2 -4,-0.5 -2,-0.2 0.897 122.9 41.7 -89.5 -53.0 -6.1 -19.1 47.5 70 71 A Y S >< S+ 0 0 4 -4,-1.8 3,-1.4 1,-0.2 4,-0.2 -0.480 78.8 163.3 -92.6 61.5 -9.0 -19.4 45.1 71 72 A L G >> + 0 0 10 -2,-1.2 3,-2.7 -3,-0.3 4,-0.6 0.839 58.8 61.5 -57.2 -51.4 -11.3 -20.6 47.9 72 73 A P G >4 S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.740 88.1 77.6 -52.4 -21.6 -14.9 -20.1 46.5 73 74 A L G <4 S+ 0 0 1 -3,-1.4 71,-0.2 1,-0.3 70,-0.2 0.701 95.4 46.3 -67.3 -14.8 -14.0 -22.5 43.7 74 75 A A G <4 S+ 0 0 3 -3,-2.7 -1,-0.3 -7,-0.2 18,-0.1 0.598 107.8 87.6 -88.1 -12.8 -14.5 -25.4 46.1 75 76 A G S << S- 0 0 2 -3,-1.3 68,-1.1 -4,-0.6 69,-0.3 0.344 73.7-128.7 -77.5-153.9 -17.7 -23.7 47.2 76 77 A N - 0 0 35 14,-1.8 65,-3.7 66,-0.2 15,-0.1 0.378 23.9-120.5-150.1 5.8 -21.2 -23.7 45.9 77 78 A V - 0 0 0 63,-0.2 64,-0.7 13,-0.2 2,-0.4 0.870 32.1-131.6 36.0 103.5 -23.2 -20.6 45.1 78 79 A A E -GH 88 140B 2 10,-3.1 10,-0.8 62,-0.2 62,-0.2 -0.665 17.0-156.6 -84.1 134.1 -26.3 -20.5 47.3 79 80 A C E - H 0 139B 8 60,-1.8 60,-1.2 -2,-0.4 7,-0.0 -0.931 15.0-129.2-121.0 109.4 -29.6 -19.8 45.6 80 81 A P E - H 0 138B 5 0, 0.0 58,-0.2 0, 0.0 57,-0.1 -0.187 14.9-165.3 -52.3 138.1 -32.5 -18.4 47.7 81 82 A Q S S+ 0 0 77 56,-1.4 2,-0.2 4,-0.1 57,-0.1 0.811 71.4 42.3-100.9 -41.0 -35.8 -20.3 47.3 82 83 A D S > S- 0 0 105 55,-0.5 2,-2.3 3,-0.1 3,-0.8 -0.605 105.8 -87.1-100.1 172.2 -38.3 -17.8 48.8 83 84 A W T 3 S+ 0 0 167 1,-0.2 138,-0.0 -2,-0.2 137,-0.0 -0.119 91.6 113.7 -76.7 43.6 -38.3 -14.1 48.2 84 85 A S T 3 - 0 0 65 -2,-2.3 -1,-0.2 1,-0.2 2,-0.1 0.813 67.8-145.7 -80.3 -36.0 -35.8 -13.5 51.1 85 86 A G < + 0 0 3 -3,-0.8 -1,-0.2 135,-0.1 -3,-0.1 -0.352 52.8 92.1 100.3-179.4 -33.1 -12.2 48.8 86 87 A Y - 0 0 147 1,-0.1 2,-0.4 -2,-0.1 -1,-0.0 0.975 46.5-150.0 49.8 95.0 -29.2 -12.4 48.5 87 88 A P - 0 0 0 0, 0.0 -64,-2.2 0, 0.0 2,-0.3 -0.734 24.0-166.4 -74.1 135.9 -27.6 -15.2 46.6 88 89 A E E -FG 22 78B 36 -10,-0.8 -10,-3.1 -2,-0.4 2,-0.6 -0.856 27.5-126.1-119.2 157.1 -24.2 -15.9 48.1 89 90 A L E -F 21 0B 4 -68,-3.9 -68,-3.9 -2,-0.3 2,-0.4 -0.947 41.7-164.4 -92.1 125.6 -21.1 -17.9 47.1 90 91 A R E +F 20 0B 72 -2,-0.6 -14,-1.8 -70,-0.3 2,-0.4 -0.941 19.9 179.6-119.2 133.5 -20.6 -20.2 50.1 91 92 A Y E +F 19 0B 13 -72,-1.9 -72,-1.5 -2,-0.4 2,-0.4 -0.993 7.5 177.6-128.2 130.5 -17.6 -22.3 51.1 92 93 A V E > -F 18 0B 87 -2,-0.4 3,-1.7 -74,-0.2 -74,-0.1 -0.985 44.7 -90.8-128.4 140.0 -17.6 -24.5 54.2 93 94 A T T 3 S+ 0 0 94 -76,-0.8 3,-0.1 -2,-0.4 -76,-0.1 -0.248 114.8 38.0 -43.5 111.3 -15.0 -26.8 55.6 94 95 A G T 3 S+ 0 0 53 1,-0.6 -1,-0.2 -2,-0.0 -84,-0.1 -0.381 85.8 99.7 138.4 -56.6 -15.9 -30.0 54.0 95 96 A N < + 0 0 35 -3,-1.7 -1,-0.6 -87,-0.1 2,-0.3 -0.232 50.5 171.2 -65.5 157.0 -17.0 -29.3 50.5 96 97 A S - 0 0 38 -89,-0.2 2,-0.4 -86,-0.1 -86,-0.2 -0.909 33.1 -78.1-157.6 172.4 -14.5 -29.8 47.7 97 98 A V - 0 0 2 -88,-0.8 2,-0.6 -2,-0.3 48,-0.1 -0.700 34.9-134.6 -91.4 137.4 -13.7 -30.0 44.0 98 99 A S E + d 0 145A 46 46,-0.7 48,-2.3 -2,-0.4 2,-0.4 -0.794 29.7 176.7 -89.0 122.1 -14.6 -33.0 41.9 99 100 A V E -Ad 6 146A 5 -93,-1.4 -93,-2.8 -2,-0.6 2,-0.4 -0.978 12.0-161.1-125.3 146.9 -11.8 -34.1 39.6 100 101 A I E -Ad 5 147A 44 46,-2.0 48,-3.3 -2,-0.4 2,-0.6 -0.989 7.1-158.0-127.6 128.8 -11.6 -37.0 37.3 101 102 A F E +Ad 4 148A 4 -97,-2.6 -98,-3.0 -2,-0.4 -97,-1.6 -0.924 27.0 168.9 -99.5 126.1 -8.6 -38.6 35.8 102 103 A S E -Ad 2 149A 9 46,-2.3 48,-2.6 -2,-0.6 2,-0.3 -0.865 27.4-137.0-131.1 166.2 -9.4 -40.6 32.6 103 104 A E E - d 0 150A 57 -102,-2.3 2,-0.4 -2,-0.3 48,-0.2 -0.933 20.8-164.6-126.7 150.3 -7.6 -42.2 29.8 104 105 A S - 0 0 21 46,-1.9 -2,-0.0 -2,-0.3 45,-0.0 -0.995 25.4-159.5-146.4 133.8 -8.6 -42.0 26.1 105 106 A D + 0 0 165 -2,-0.4 2,-0.1 46,-0.1 46,-0.1 0.346 57.0 120.5 -97.4 9.2 -7.8 -43.8 22.9 106 107 A X S S- 0 0 59 1,-0.1 2,-0.8 2,-0.0 -2,-0.1 -0.378 79.3 -88.5 -70.6 150.7 -8.9 -40.9 20.6 107 108 A D > - 0 0 93 1,-0.2 4,-2.1 -2,-0.1 -1,-0.1 -0.460 38.2-171.4 -65.9 103.1 -6.4 -39.3 18.1 108 109 A F H > S+ 0 0 3 -2,-0.8 4,-1.7 2,-0.2 5,-0.2 0.971 84.3 55.6 -54.4 -59.3 -4.7 -36.5 20.0 109 110 A N H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.796 107.9 50.7 -50.5 -35.5 -3.0 -35.1 16.9 110 111 A Y H >4 S+ 0 0 73 1,-0.2 3,-2.4 2,-0.1 -1,-0.2 0.992 108.3 51.1 -59.8 -62.5 -6.3 -34.8 15.2 111 112 A L H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.732 108.3 51.0 -50.9 -32.2 -7.9 -32.9 18.2 112 113 A I T 3< S+ 0 0 17 -4,-1.7 -1,-0.3 289,-0.0 -2,-0.1 0.330 87.2 109.6 -96.1 8.4 -5.2 -30.3 18.4 113 114 A G < - 0 0 18 -3,-2.4 128,-0.2 -5,-0.2 4,-0.1 -0.252 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