==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-11 4A3Y . COMPND 2 MOLECULE: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RAUVOLFIA SERPENTINA; . AUTHOR L.XIA,M.RUPPERT,M.WANG,S.PANJIKAR,L.BARLEBEN,C.RAJENDRAN,H.L . 937 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.2 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 12 0 0 6 2 3 2 0 0 0 4 2 2 2 0 0 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 8 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 2 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 13 A D > 0 0 132 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 94.0 38.4 35.6 24.5 2 14 A A G > + 0 0 13 1,-0.3 3,-1.5 2,-0.2 407,-0.1 0.715 360.0 75.0 -63.9 -18.8 35.8 32.8 24.8 3 15 A T G 3 S+ 0 0 81 1,-0.3 -1,-0.3 403,-0.0 403,-0.0 0.742 95.9 51.5 -69.9 -17.7 34.0 34.0 21.7 4 16 A R G < S+ 0 0 183 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.453 78.9 129.3 -92.6 -5.2 36.8 32.5 19.7 5 17 A I < + 0 0 7 -3,-1.5 2,-0.3 -4,-0.2 404,-0.1 -0.269 32.2 153.3 -60.7 132.5 36.7 29.0 21.3 6 18 A S > - 0 0 24 402,-0.1 3,-2.2 463,-0.1 463,-0.2 -0.905 60.4 -80.5-148.2 176.3 36.5 26.2 18.8 7 19 A R G > S+ 0 0 36 461,-2.5 3,-1.9 -2,-0.3 7,-0.1 0.778 118.8 68.3 -52.0 -28.4 37.3 22.6 18.0 8 20 A S G 3 S+ 0 0 108 460,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.658 89.9 64.1 -77.2 -5.8 40.9 23.5 17.4 9 21 A D G < S+ 0 0 69 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.428 101.4 63.0 -87.5 0.9 41.3 24.3 21.1 10 22 A F S < S- 0 0 15 -3,-1.9 402,-0.0 -4,-0.2 4,-0.0 -0.836 96.2 -83.9-123.7 159.0 40.6 20.7 21.9 11 23 A P > - 0 0 50 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.248 45.0-108.7 -58.2 150.1 42.3 17.3 21.3 12 24 A A T 3 S+ 0 0 109 1,-0.3 -2,-0.0 -4,-0.1 -5,-0.0 0.827 118.1 46.5 -44.0 -44.6 41.4 15.5 18.0 13 25 A D T 3 S+ 0 0 102 2,-0.1 -1,-0.3 410,-0.0 2,-0.2 0.203 79.4 131.6 -90.6 11.4 39.3 12.8 19.7 14 26 A F < - 0 0 3 -3,-2.4 2,-0.5 -7,-0.1 409,-0.2 -0.491 53.3-134.6 -67.0 135.6 37.3 15.2 22.0 15 27 A I E -a 423 0A 16 407,-1.9 409,-2.5 -2,-0.2 2,-0.4 -0.804 20.6-172.6-102.4 121.7 33.6 14.5 21.8 16 28 A M E +a 424 0A 1 -2,-0.5 64,-1.5 407,-0.2 63,-0.6 -0.918 23.5 139.0-107.3 141.5 31.0 17.3 21.4 17 29 A G E -ab 425 80A 0 407,-2.0 409,-2.5 -2,-0.4 2,-0.3 -0.907 39.4-121.2-161.1-168.4 27.3 16.6 21.6 18 30 A T E -ab 426 81A 0 62,-0.8 64,-2.8 407,-0.3 2,-0.3 -0.863 26.8-141.0-143.1 169.4 23.8 17.5 22.8 19 31 A G E + b 0 82A 0 407,-1.0 410,-2.5 -2,-0.3 411,-0.4 -0.848 21.4 166.8-140.5 165.6 21.2 15.8 25.0 20 32 A S - 0 0 1 62,-1.3 2,-0.3 -2,-0.3 3,-0.1 -0.918 24.7-131.5-157.3 177.4 17.6 14.9 25.8 21 33 A S > - 0 0 0 -2,-0.3 4,-1.4 62,-0.2 5,-0.3 -0.968 27.3-112.7-139.9 154.2 15.8 12.4 28.1 22 34 A A H >> S+ 0 0 2 -2,-0.3 4,-2.5 1,-0.2 3,-0.6 0.916 112.4 41.8 -55.5 -51.2 12.9 10.1 27.1 23 35 A Y H 34 S+ 0 0 7 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.840 111.9 57.3 -69.8 -30.8 10.0 11.6 29.1 24 36 A Q H 34 S+ 0 0 1 1,-0.1 409,-2.2 2,-0.1 -1,-0.2 0.767 126.4 10.0 -70.7 -28.6 11.1 15.2 28.2 25 37 A I H << S+ 0 0 6 -4,-1.4 37,-2.4 -3,-0.6 35,-0.7 0.648 107.9 74.3-121.1 -28.3 11.0 14.7 24.3 26 38 A E < + 0 0 6 -4,-2.5 37,-2.6 -5,-0.3 38,-0.4 0.896 52.7 177.0 -70.0 -44.6 9.4 11.5 23.2 27 39 A G + 0 0 5 -5,-0.3 31,-0.3 -4,-0.3 -1,-0.1 -0.481 44.7 111.3 62.4-143.1 5.6 11.8 23.7 28 40 A G > + 0 0 2 29,-0.3 3,-1.9 -2,-0.1 6,-0.3 0.865 44.0 164.2 42.1 40.2 4.0 8.6 22.3 29 41 A A T 3 S+ 0 0 3 28,-1.8 -1,-0.1 1,-0.3 29,-0.1 0.785 77.8 18.1 -63.4 -31.4 3.3 8.1 26.1 30 42 A R T 3 S+ 0 0 159 27,-0.3 3,-0.3 6,-0.0 2,-0.3 -0.059 109.5 105.1-120.4 23.4 0.6 5.4 25.4 31 43 A D S X S+ 0 0 59 -3,-1.9 3,-1.6 1,-0.2 -4,-0.0 -0.805 76.6 16.3-106.9 154.7 1.7 4.6 21.8 32 44 A G T 3 S- 0 0 15 -2,-0.3 -1,-0.2 1,-0.3 72,-0.1 0.785 131.0 -59.3 61.6 31.0 3.6 1.6 20.6 33 45 A G T 3 S+ 0 0 45 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.401 86.3 159.6 81.7 -1.3 3.0 -0.5 23.8 34 46 A R < - 0 0 18 -3,-1.6 55,-0.3 -6,-0.3 -1,-0.2 -0.287 29.3-144.4 -61.1 135.6 4.6 2.0 26.3 35 47 A G - 0 0 6 53,-3.0 53,-0.1 1,-0.1 58,-0.1 -0.572 30.9 -85.4 -91.8 162.2 3.5 1.6 29.9 36 48 A P - 0 0 72 0, 0.0 97,-2.6 0, 0.0 98,-0.5 -0.331 36.5-154.5 -70.6 147.3 3.1 4.5 32.3 37 49 A S B >> -J 132 0B 0 95,-0.3 4,-1.9 96,-0.1 3,-0.7 -0.710 37.5 -98.5-104.5 177.2 6.0 6.0 34.4 38 50 A I H 3> S+ 0 0 3 93,-2.6 4,-2.5 1,-0.3 5,-0.1 0.792 125.2 58.3 -67.0 -21.8 5.7 7.8 37.7 39 51 A W H 3> S+ 0 0 0 92,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.865 103.0 51.8 -75.4 -31.0 6.0 11.1 35.7 40 52 A D H <> S+ 0 0 4 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.964 115.4 42.7 -58.0 -50.5 2.8 10.2 33.6 41 53 A T H X S+ 0 0 19 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.910 114.1 49.8 -69.2 -42.1 1.0 9.5 36.8 42 54 A F H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 7,-0.2 0.944 114.5 43.8 -61.6 -51.7 2.3 12.6 38.6 43 55 A T H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 118.9 44.5 -65.8 -31.5 1.5 15.0 35.7 44 56 A H H < S+ 0 0 65 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.882 122.3 33.2 -80.2 -43.0 -2.0 13.4 35.2 45 57 A R H < S+ 0 0 163 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.727 131.0 32.4 -88.9 -23.9 -3.2 13.2 38.8 46 58 A R >< + 0 0 71 -4,-2.2 3,-2.2 -5,-0.4 -1,-0.2 -0.489 62.3 154.4-130.3 58.6 -1.4 16.3 40.1 47 59 A P G > + 0 0 10 0, 0.0 3,-1.7 0, 0.0 6,-0.4 0.744 68.9 73.2 -64.4 -17.5 -1.4 18.8 37.2 48 60 A D G 3 S+ 0 0 89 811,-0.4 4,-0.1 1,-0.3 811,-0.1 0.686 87.7 64.5 -63.3 -17.8 -1.2 21.7 39.9 49 61 A M G < S+ 0 0 22 -3,-2.2 2,-0.4 -7,-0.2 -1,-0.3 0.479 96.3 68.9 -80.7 -3.6 2.4 20.6 40.4 50 62 A I S X S- 0 0 5 -3,-1.7 3,-2.9 -4,-0.1 2,-0.3 -0.966 92.0-111.5-123.1 130.1 3.3 21.6 36.8 51 63 A R G > S+ 0 0 58 385,-2.3 3,-0.5 -2,-0.4 388,-0.3 -0.415 110.2 7.2 -59.9 118.1 3.4 25.1 35.5 52 64 A G G 3 S- 0 0 51 -2,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.368 113.8 -97.9 86.5 -3.7 0.5 25.3 33.0 53 65 A G G < S+ 0 0 9 -3,-2.9 -1,-0.2 -6,-0.4 -2,-0.1 0.725 78.6 147.3 67.0 25.5 -0.8 21.9 34.2 54 66 A T < - 0 0 29 -3,-0.5 2,-0.3 -7,-0.1 -1,-0.1 -0.137 26.7-168.0 -88.9-179.5 0.9 20.2 31.2 55 67 A N > - 0 0 9 867,-0.1 4,-0.6 4,-0.0 3,-0.4 -0.910 36.3 -95.1-159.1 177.8 2.5 16.7 30.7 56 68 A G T 4 S+ 0 0 2 -2,-0.3 -29,-0.3 1,-0.2 -27,-0.2 0.119 77.3 115.4 -93.9 18.6 4.6 14.5 28.6 57 69 A D T 4 S- 0 0 5 1,-0.1 -28,-1.8 -29,-0.1 -29,-0.3 0.893 105.7 -1.4 -52.9 -42.0 1.8 12.7 26.7 58 70 A V T >4 S+ 0 0 10 864,-0.5 3,-2.7 -3,-0.4 5,-0.3 0.650 85.6 166.6-117.5 -33.2 3.1 14.3 23.4 59 71 A A T 3< S- 0 0 4 -4,-0.6 -34,-0.2 863,-0.3 -33,-0.1 -0.327 80.9 -31.3 49.1-122.8 6.0 16.4 24.6 60 72 A V T 3 S- 0 0 0 -35,-0.7 -1,-0.3 -36,-0.1 -34,-0.1 0.178 86.3-119.3-109.2 17.0 7.9 17.4 21.3 61 73 A D X> + 0 0 28 -3,-2.7 4,-2.6 1,-0.1 3,-1.0 0.738 58.5 153.1 58.5 28.5 6.9 14.1 19.7 62 74 A S H 3> + 0 0 0 -37,-2.4 4,-0.8 1,-0.2 -36,-0.2 0.655 66.6 74.3 -57.8 -16.6 10.4 12.7 19.1 63 75 A Y H 34 S+ 0 0 24 -37,-2.6 -1,-0.2 -38,-0.4 3,-0.2 0.944 114.6 18.9 -59.6 -47.6 8.7 9.3 19.3 64 76 A H H <4 S+ 0 0 100 -3,-1.0 3,-0.4 -38,-0.4 -2,-0.2 0.763 129.7 51.7 -89.3 -26.7 7.2 9.9 15.8 65 77 A L H >X + 0 0 43 -4,-2.6 4,-2.0 -39,-0.2 3,-1.2 0.243 68.3 118.2 -97.5 14.7 9.7 12.6 14.7 66 78 A Y H 3X S+ 0 0 36 -4,-0.8 4,-2.7 1,-0.3 -1,-0.2 0.802 72.6 57.3 -55.6 -33.8 12.9 10.8 15.5 67 79 A K H 3> S+ 0 0 149 -3,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.858 106.7 48.8 -65.3 -36.4 14.0 10.9 11.8 68 80 A E H <> S+ 0 0 90 -3,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.919 109.8 51.7 -67.7 -40.1 13.7 14.6 11.8 69 81 A D H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.923 110.5 49.2 -61.5 -45.1 15.8 14.8 15.1 70 82 A V H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.900 110.5 50.2 -57.3 -43.8 18.4 12.6 13.4 71 83 A N H X S+ 0 0 79 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.946 110.5 49.5 -63.4 -46.9 18.4 14.9 10.4 72 84 A I H X S+ 0 0 26 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.925 110.6 50.9 -52.7 -46.8 18.8 18.0 12.7 73 85 A L H X>S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 5,-0.6 0.867 110.2 50.1 -61.3 -36.6 21.8 16.2 14.5 74 86 A K H <5S+ 0 0 89 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.942 112.3 45.3 -64.6 -52.0 23.4 15.5 11.1 75 87 A N H <5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.855 109.4 57.0 -58.7 -38.4 23.0 19.1 10.0 76 88 A L H <5S- 0 0 10 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.849 95.4-153.3 -62.2 -38.7 24.4 20.2 13.4 77 89 A G T <5 + 0 0 12 -4,-1.7 394,-1.1 1,-0.2 -3,-0.1 0.618 38.4 143.0 80.2 12.9 27.5 18.1 12.7 78 90 A L < - 0 0 10 -5,-0.6 -1,-0.2 392,-0.2 -61,-0.1 -0.514 56.0-118.2 -85.6 163.5 28.5 17.3 16.3 79 91 A D S S+ 0 0 38 -63,-0.6 42,-2.6 -2,-0.1 2,-0.3 0.605 80.9 22.8 -72.1 -29.1 30.0 13.9 17.2 80 92 A A E -bc 17 121A 2 -64,-1.5 -62,-0.8 40,-0.3 2,-0.4 -0.961 52.0-150.2-146.2 166.0 27.5 12.5 19.6 81 93 A Y E -bc 18 122A 3 40,-2.4 42,-2.8 -2,-0.3 2,-0.5 -0.994 12.2-153.3-146.3 128.1 24.0 12.5 21.0 82 94 A R E +bc 19 123A 1 -64,-2.8 -62,-1.3 -2,-0.4 2,-0.3 -0.915 29.2 151.7-106.4 121.0 23.0 11.6 24.6 83 95 A F E - c 0 124A 4 40,-1.9 42,-2.3 -2,-0.5 2,-0.3 -0.892 33.7-125.7-140.6 169.9 19.4 10.3 25.1 84 96 A S E - c 0 125A 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.834 16.1-123.5-117.8 158.2 17.7 8.0 27.6 85 97 A I - 0 0 0 40,-2.4 2,-0.9 -2,-0.3 43,-0.3 -0.852 25.5-125.2 -94.9 134.5 15.7 4.8 27.2 86 98 A S >> - 0 0 1 -2,-0.4 3,-1.6 1,-0.2 4,-1.4 -0.743 16.6-152.8 -78.8 110.6 12.2 4.9 28.8 87 99 A W H 3> S+ 0 0 0 -2,-0.9 4,-2.5 39,-0.3 3,-0.3 0.895 94.9 48.8 -45.1 -49.4 12.2 1.8 31.1 88 100 A S H 34 S+ 0 0 0 42,-0.6 -53,-3.0 1,-0.2 -1,-0.3 0.583 102.8 63.0 -79.3 -6.4 8.4 1.4 30.8 89 101 A R H <4 S+ 0 0 0 -3,-1.6 15,-0.3 -55,-0.3 -1,-0.2 0.884 115.5 29.8 -74.3 -43.1 8.6 1.7 27.0 90 102 A V H < S+ 0 0 0 -4,-1.4 11,-2.8 -3,-0.3 -2,-0.2 0.793 138.5 26.0 -83.1 -28.6 10.7 -1.5 26.7 91 103 A L S >< S- 0 0 0 -4,-2.5 3,-2.7 -5,-0.3 -1,-0.3 -0.806 72.4-170.6-133.9 88.1 9.2 -3.2 29.8 92 104 A P T 3 S+ 0 0 35 0, 0.0 42,-0.4 0, 0.0 41,-0.1 0.758 89.5 39.9 -60.1 -24.9 5.7 -1.7 30.3 93 105 A G T 3 S- 0 0 15 6,-0.4 2,-2.1 2,-0.3 4,-0.1 0.186 108.0-125.6-105.3 14.1 5.3 -3.4 33.7 94 106 A G S < S+ 0 0 0 -3,-2.7 2,-0.2 -7,-0.2 60,-0.1 -0.198 86.9 69.3 73.9 -50.7 8.9 -2.7 34.7 95 107 A R S > S- 0 0 86 -2,-2.1 3,-1.9 1,-0.1 -2,-0.3 -0.619 97.5-105.3 -96.5 163.1 9.8 -6.3 35.6 96 108 A L G > S+ 0 0 80 1,-0.3 3,-1.9 -2,-0.2 -2,-0.1 0.796 116.0 66.1 -57.2 -32.2 10.1 -9.0 33.0 97 109 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -4,-0.1 3,-0.1 0.580 89.9 66.5 -72.2 -10.0 6.8 -10.6 34.0 98 110 A G G < S- 0 0 40 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.422 117.9-100.9 -83.3 2.3 5.0 -7.4 32.7 99 111 A G < - 0 0 35 -3,-1.9 2,-0.5 -4,-0.1 -6,-0.4 0.015 25.1 -96.2 96.5 151.0 6.1 -8.4 29.2 100 112 A V - 0 0 66 -9,-0.2 2,-1.0 -3,-0.1 -9,-0.2 -0.941 32.9-139.7-105.4 127.5 8.8 -7.3 26.8 101 113 A N > - 0 0 20 -11,-2.8 4,-2.1 -2,-0.5 3,-0.4 -0.746 16.6-173.5 -95.3 99.0 7.7 -4.7 24.3 102 114 A K H > S+ 0 0 130 -2,-1.0 4,-2.5 1,-0.3 -1,-0.2 0.847 85.8 54.5 -59.0 -38.0 9.2 -5.5 20.9 103 115 A E H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.877 107.4 50.3 -67.2 -35.8 7.9 -2.2 19.4 104 116 A G H > S+ 0 0 0 -3,-0.4 4,-1.5 -15,-0.3 -2,-0.2 0.911 112.0 47.0 -66.4 -42.5 9.6 -0.2 22.1 105 117 A I H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.884 108.8 56.6 -64.6 -37.8 12.8 -2.0 21.5 106 118 A N H X S+ 0 0 85 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.900 103.0 55.2 -62.1 -37.5 12.3 -1.4 17.7 107 119 A Y H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.929 109.7 43.8 -59.1 -48.2 12.1 2.4 18.3 108 120 A Y H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.880 112.4 54.1 -70.5 -33.6 15.4 2.6 20.1 109 121 A N H X S+ 0 0 27 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.927 110.2 47.1 -59.6 -45.3 17.0 0.3 17.4 110 122 A N H X S+ 0 0 54 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.900 113.5 47.4 -63.0 -43.5 15.7 2.7 14.7 111 123 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 114.4 46.6 -62.8 -48.8 17.0 5.7 16.6 112 124 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.929 113.3 49.2 -60.1 -46.1 20.4 4.1 17.2 113 125 A D H X S+ 0 0 78 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.891 112.0 48.1 -61.8 -41.5 20.7 2.9 13.5 114 126 A G H X S+ 0 0 18 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.941 111.9 50.7 -62.4 -43.9 19.8 6.4 12.2 115 127 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-1.1 0.957 114.9 41.6 -58.1 -56.4 22.3 8.0 14.5 116 128 A L H ><5S+ 0 0 70 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.853 107.2 61.2 -61.1 -35.3 25.2 5.6 13.4 117 129 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.792 108.7 45.9 -66.8 -22.3 24.1 5.9 9.7 118 130 A N T <<5S- 0 0 67 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.092 122.3-103.9-105.1 20.9 24.9 9.6 10.1 119 131 A G T < 5S+ 0 0 64 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.747 75.7 140.3 68.9 23.1 28.3 9.2 12.0 120 132 A I < - 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