==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-12 4G2M . COMPND 2 MOLECULE: HYDROXYCINNAMOYL-COA SHIKIMATE/QUINATE . SOURCE 2 ORGANISM_SCIENTIFIC: COFFEA CANEPHORA; . AUTHOR L.A.LALLEMAND,J.G.MCCARTHY,A.A.MCCARTHY . 419 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 15.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 3 0 1 0 1 0 0 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 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 1 1 3 2 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 . 1 1 0 0 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 1 A M 0 0 143 0, 0.0 99,-0.1 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 131.1 -37.2 -41.5 14.8 2 2 A K - 0 0 96 1,-0.1 97,-0.7 96,-0.1 2,-0.5 -0.098 360.0-137.1 -59.5 153.0 -36.6 -40.8 18.5 3 3 A I E -A 98 0A 48 95,-0.1 2,-0.4 96,-0.1 95,-0.2 -0.955 15.4-155.8-119.6 116.2 -33.1 -40.8 19.9 4 4 A E E -A 97 0A 133 93,-1.9 93,-1.8 -2,-0.5 2,-0.5 -0.775 12.7-131.8 -99.4 138.4 -32.4 -42.5 23.2 5 5 A V E +A 96 0A 91 -2,-0.4 91,-0.3 91,-0.2 3,-0.1 -0.722 24.7 175.8 -85.7 120.7 -29.5 -41.7 25.5 6 6 A K E - 0 0 71 89,-2.6 2,-0.3 -2,-0.5 90,-0.2 0.796 62.9 -4.1 -93.5 -30.2 -27.6 -44.9 26.7 7 7 A E E -A 95 0A 99 88,-1.4 88,-2.4 2,-0.0 2,-0.3 -0.976 53.9-158.6-167.4 145.3 -24.7 -43.5 28.7 8 8 A S E +A 94 0A 62 -2,-0.3 2,-0.4 86,-0.2 86,-0.2 -0.999 13.5 179.0-138.4 133.5 -23.2 -40.1 29.7 9 9 A T E -A 93 0A 48 84,-2.3 84,-2.8 -2,-0.3 2,-1.0 -0.998 29.2-141.9-142.2 137.2 -19.6 -39.4 30.9 10 10 A M E -A 92 0A 91 -2,-0.4 2,-0.7 82,-0.2 82,-0.2 -0.846 32.1-151.1 -91.8 99.2 -17.6 -36.4 32.0 11 11 A V E -A 91 0A 11 80,-3.2 80,-2.2 -2,-1.0 3,-0.1 -0.658 12.9-165.8 -83.3 114.6 -14.3 -37.3 30.4 12 12 A R - 0 0 83 -2,-0.7 52,-0.1 78,-0.2 77,-0.1 -0.555 36.8 -76.9 -92.1 162.6 -11.4 -35.8 32.4 13 13 A P - 0 0 16 0, 0.0 49,-0.2 0, 0.0 48,-0.1 -0.310 44.7-113.6 -59.5 145.8 -7.8 -35.6 31.1 14 14 A A S S+ 0 0 56 47,-2.3 2,-0.2 46,-0.1 48,-0.1 0.798 97.4 9.0 -53.9 -38.8 -5.9 -38.9 31.3 15 15 A Q S S- 0 0 138 46,-0.3 2,-0.1 47,-0.1 0, 0.0 -0.799 106.8 -63.1-129.5-179.2 -3.5 -37.5 34.0 16 16 A E - 0 0 179 -2,-0.2 -2,-0.1 1,-0.0 72,-0.1 -0.407 51.2-155.3 -65.7 133.4 -3.4 -34.3 36.1 17 17 A T - 0 0 26 -2,-0.1 2,-0.1 -4,-0.1 -1,-0.0 -0.722 22.2 -95.7-109.4 159.2 -3.1 -31.1 34.1 18 18 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 70,-0.1 -0.362 36.6-119.3 -73.1 154.5 -1.6 -27.7 35.1 19 19 A G + 0 0 63 68,-0.1 2,-0.3 -2,-0.1 68,-0.1 -0.501 42.1 147.6 -89.8 161.3 -3.8 -24.9 36.3 20 20 A R - 0 0 88 66,-0.4 66,-3.0 -2,-0.2 2,-0.8 -0.850 47.4-122.9 174.2 142.5 -4.1 -21.5 34.7 21 21 A N E -F 85 0B 94 -2,-0.3 2,-0.8 64,-0.2 64,-0.2 -0.913 36.8-144.9 -99.6 101.1 -6.5 -18.7 34.0 22 22 A L E -F 84 0B 4 62,-3.2 62,-2.0 -2,-0.8 162,-0.1 -0.606 11.2-132.8 -79.1 106.3 -6.5 -18.5 30.2 23 23 A W - 0 0 54 -2,-0.8 2,-0.5 60,-0.2 162,-0.4 -0.214 13.9-139.9 -53.0 134.6 -6.9 -14.9 29.0 24 24 A N - 0 0 0 58,-0.5 -1,-0.1 161,-0.1 131,-0.0 -0.884 11.4-139.0-102.1 128.4 -9.3 -14.3 26.2 25 25 A S >> - 0 0 0 -2,-0.5 3,-1.3 262,-0.1 4,-0.7 -0.253 33.8 -97.4 -73.8 170.5 -8.5 -11.8 23.4 26 26 A N H 3> S+ 0 0 2 162,-0.5 4,-1.0 1,-0.3 3,-0.5 0.830 126.8 50.5 -62.0 -35.7 -11.1 -9.4 22.0 27 27 A V H 34 S+ 0 0 6 1,-0.2 262,-0.3 2,-0.2 -1,-0.3 0.517 105.8 58.0 -79.9 -5.8 -11.9 -11.7 19.1 28 28 A D H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.1 3,-0.2 0.602 110.6 44.2 -86.0 -19.2 -12.3 -14.5 21.6 29 29 A L H < S+ 0 0 16 -4,-0.7 2,-0.5 -3,-0.5 -2,-0.2 0.654 98.7 68.2-100.2 -20.2 -15.0 -12.4 23.3 30 30 A V S < S+ 0 0 24 -4,-1.0 313,-0.2 311,-0.1 -1,-0.2 -0.299 82.1 101.6 -99.6 49.2 -17.0 -11.2 20.2 31 31 A V S S- 0 0 14 -2,-0.5 311,-0.1 -3,-0.2 123,-0.1 -0.810 78.8 -98.2-125.4 158.4 -18.3 -14.6 19.4 32 32 A P - 0 0 42 0, 0.0 121,-0.4 0, 0.0 122,-0.1 -0.410 44.4 -99.2 -73.9 166.7 -21.8 -16.2 20.1 33 33 A N S S+ 0 0 102 1,-0.1 120,-1.8 119,-0.1 121,-0.6 0.917 105.6 24.0 -42.5 -60.9 -22.2 -18.5 23.1 34 34 A F B S-H 152 0C 64 118,-0.3 118,-0.3 119,-0.1 -1,-0.1 -0.925 80.7-120.4-115.7 137.2 -21.9 -21.6 21.0 35 35 A H - 0 0 30 116,-2.7 116,-0.2 -2,-0.4 3,-0.0 -0.213 52.5 -81.1 -47.9 154.2 -20.3 -22.4 17.7 36 36 A T - 0 0 40 114,-0.1 -1,-0.1 1,-0.1 115,-0.1 -0.546 60.3-117.8 -56.2 122.2 -22.4 -23.8 14.9 37 37 A P - 0 0 14 0, 0.0 342,-2.9 0, 0.0 2,-0.3 -0.391 29.9-144.1 -69.2 152.5 -22.5 -27.4 16.0 38 38 A S E -BC 149 378A 17 111,-2.0 111,-2.8 340,-0.3 2,-0.4 -0.828 9.8-158.0-121.0 158.8 -21.1 -30.0 13.5 39 39 A V E -BC 148 377A 0 338,-2.1 338,-2.2 -2,-0.3 2,-0.3 -0.999 1.2-164.1-138.0 132.4 -22.0 -33.5 12.5 40 40 A Y E -BC 147 376A 0 107,-2.8 107,-1.1 -2,-0.4 2,-0.4 -0.881 5.6-157.8-109.6 149.7 -20.0 -36.4 11.0 41 41 A F E -BC 146 375A 0 334,-2.3 333,-3.4 -2,-0.3 334,-1.1 -0.996 10.3-176.9-125.0 129.9 -21.4 -39.5 9.3 42 42 A Y E -B 145 0A 2 103,-3.0 103,-1.9 -2,-0.4 329,-0.1 -0.934 20.3-130.1-121.9 150.9 -19.5 -42.8 8.9 43 43 A R - 0 0 100 -2,-0.3 101,-0.1 101,-0.2 100,-0.1 -0.690 34.0-100.1 -95.5 144.7 -20.4 -46.1 7.1 44 44 A P - 0 0 58 0, 0.0 100,-0.1 0, 0.0 -1,-0.1 -0.288 26.4-165.0 -60.7 151.0 -20.0 -49.5 8.8 45 45 A T - 0 0 79 2,-0.2 3,-0.1 98,-0.2 99,-0.0 0.440 44.5-107.2-115.2 -8.6 -16.9 -51.4 7.8 46 46 A G S S+ 0 0 73 1,-0.4 4,-0.1 97,-0.1 97,-0.0 -0.114 75.6 135.2 105.4 -34.2 -17.9 -54.9 9.1 47 47 A S > - 0 0 51 1,-0.1 3,-1.1 2,-0.1 -1,-0.4 -0.131 58.0-133.0 -50.0 137.9 -15.4 -54.7 12.0 48 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.817 102.5 47.6 -67.9 -34.3 -16.9 -55.8 15.3 49 49 A N T > S+ 0 0 69 3,-0.1 3,-1.7 4,-0.0 -1,-0.3 0.035 76.5 167.2 -96.9 24.6 -15.6 -52.9 17.4 50 50 A F T < S- 0 0 25 -3,-1.1 3,-0.2 1,-0.3 319,-0.0 -0.184 78.7 -10.7 -44.7 116.0 -16.8 -50.2 14.9 51 51 A F T 3 S- 0 0 2 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.924 87.6-154.9 49.7 51.9 -16.4 -47.0 16.9 52 52 A D <> - 0 0 62 -3,-1.7 4,-1.9 1,-0.2 -1,-0.2 -0.428 8.2-143.1 -57.4 112.1 -15.8 -48.8 20.2 53 53 A A H > S+ 0 0 13 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.833 98.6 52.5 -44.3 -41.2 -17.0 -46.3 22.8 54 54 A K H > S+ 0 0 130 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.948 106.4 51.1 -67.6 -49.7 -14.2 -47.4 25.2 55 55 A V H > S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.860 115.0 46.0 -51.4 -39.2 -11.5 -46.9 22.6 56 56 A L H X S+ 0 0 2 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.878 109.9 50.6 -71.8 -44.9 -12.9 -43.4 22.0 57 57 A K H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.917 113.0 47.0 -65.1 -41.4 -13.3 -42.4 25.7 58 58 A D H X S+ 0 0 71 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.861 112.5 50.0 -66.8 -33.2 -9.8 -43.4 26.4 59 59 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 -5,-0.3 -2,-0.2 0.921 109.3 50.7 -72.6 -46.0 -8.6 -41.5 23.3 60 60 A L H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 3,-0.2 0.915 108.2 53.9 -48.7 -54.2 -10.5 -38.4 24.3 61 61 A S H < S+ 0 0 22 -4,-2.3 -47,-2.3 1,-0.2 -46,-0.3 0.869 109.7 46.9 -50.6 -47.0 -8.9 -38.5 27.7 62 62 A R H >< S+ 0 0 103 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.789 110.5 52.8 -68.8 -30.0 -5.4 -38.7 26.2 63 63 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.789 96.4 66.9 -75.6 -29.5 -6.1 -35.8 23.9 64 64 A L T 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 7,-0.2 0.395 88.1 72.3 -77.4 7.3 -7.3 -33.6 26.6 65 65 A V T X4 S+ 0 0 43 -3,-0.9 3,-0.9 2,-0.1 -1,-0.2 0.940 106.5 29.2 -83.4 -54.9 -3.7 -33.6 28.0 66 66 A P T 34 S+ 0 0 41 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.840 127.8 46.6 -71.6 -32.4 -2.0 -31.3 25.4 67 67 A F T >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 4,-0.4 -0.272 76.5 148.2 -95.9 41.4 -5.3 -29.5 24.8 68 68 A Y G X + 0 0 42 -3,-0.9 3,-2.6 1,-0.3 20,-0.2 0.847 59.1 64.7 -52.3 -41.7 -6.0 -29.1 28.6 69 69 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.747 89.7 70.4 -60.8 -17.3 -7.9 -25.9 28.5 70 70 A M G < S+ 0 0 0 -3,-2.2 62,-0.4 1,-0.3 63,-0.3 0.746 95.3 54.1 -63.7 -25.7 -10.6 -27.7 26.5 71 71 A A G < S+ 0 0 0 -3,-2.6 19,-2.6 -4,-0.4 18,-0.4 0.261 98.5 100.5 -85.8 6.3 -11.4 -29.5 29.8 72 72 A G < - 0 0 0 -3,-1.7 60,-0.6 16,-0.2 2,-0.3 -0.026 65.6-125.5 -88.6-172.3 -11.8 -26.1 31.5 73 73 A R E -G 85 0B 3 12,-1.8 12,-3.1 58,-0.1 2,-0.3 -0.974 24.9-105.7-136.9 149.6 -14.7 -23.9 32.5 74 74 A L E +G 84 0B 2 53,-0.8 2,-0.3 56,-0.4 10,-0.2 -0.588 46.4 160.0 -77.9 136.1 -15.6 -20.3 31.9 75 75 A K E -G 83 0B 44 8,-2.7 8,-2.7 -2,-0.3 2,-0.3 -0.858 32.6-114.5-140.6 177.5 -15.1 -17.9 34.8 76 76 A R E -G 82 0B 134 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.901 19.7-134.7-120.8 145.9 -14.7 -14.1 35.1 77 77 A D > - 0 0 39 4,-2.5 3,-2.1 -2,-0.3 -1,-0.0 -0.215 46.1 -80.1 -85.7-178.1 -11.8 -12.0 36.3 78 78 A E T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.838 132.7 51.3 -45.0 -34.8 -11.8 -9.1 38.8 79 79 A D T 3 S- 0 0 138 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.311 120.0-104.9 -92.2 3.3 -13.0 -6.9 35.8 80 80 A G S < S+ 0 0 43 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.518 74.6 142.8 80.4 5.6 -16.0 -9.1 34.7 81 81 A R - 0 0 52 1,-0.1 -4,-2.5 -5,-0.0 2,-0.4 -0.540 53.4-114.4 -80.1 145.9 -14.0 -10.3 31.7 82 82 A I E + G 0 76B 19 -6,-0.2 -58,-0.5 -2,-0.2 2,-0.3 -0.651 41.5 164.3 -87.2 132.7 -14.4 -14.0 30.6 83 83 A E E - G 0 75B 24 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.6 -0.912 39.2-107.3-137.3 162.0 -11.4 -16.3 30.9 84 84 A I E -FG 22 74B 0 -62,-2.0 -62,-3.2 -2,-0.3 2,-0.8 -0.878 24.1-146.3 -96.9 119.9 -11.1 -20.1 30.8 85 85 A E E -FG 21 73B 71 -12,-3.1 2,-2.0 -2,-0.6 -12,-1.8 -0.771 11.3-144.8 -79.1 111.1 -10.3 -21.7 34.2 86 86 A C + 0 0 6 -66,-3.0 -66,-0.4 -2,-0.8 -14,-0.1 -0.579 47.9 140.7 -81.2 84.1 -8.1 -24.6 33.4 87 87 A N - 0 0 56 -2,-2.0 -1,-0.2 -68,-0.1 -15,-0.1 0.365 62.5-122.4-108.8 2.4 -9.4 -26.9 36.1 88 88 A G + 0 0 10 -20,-0.2 -16,-0.2 -3,-0.2 -2,-0.1 0.639 62.6 142.0 71.6 12.7 -9.4 -30.3 34.3 89 89 A E - 0 0 91 -18,-0.4 -17,-0.2 1,-0.2 2,-0.1 0.796 50.9-146.8 -61.4 -32.5 -13.2 -30.8 34.9 90 90 A G - 0 0 0 -19,-2.6 42,-0.4 -22,-0.2 2,-0.3 -0.366 5.7 -60.0 107.3-172.5 -13.5 -32.3 31.4 91 91 A V E -A 11 0A 0 -80,-2.2 -80,-3.2 40,-0.1 2,-0.4 -0.869 43.4-114.0-123.5 144.4 -15.7 -32.8 28.4 92 92 A L E -Ad 10 134A 40 41,-1.8 43,-2.8 -2,-0.3 2,-0.5 -0.701 28.9-172.5 -86.9 124.4 -19.2 -34.5 28.0 93 93 A F E -Ad 9 135A 0 -84,-2.8 -84,-2.3 -2,-0.4 2,-0.4 -0.988 6.3-167.8-120.9 120.4 -19.3 -37.7 26.0 94 94 A V E -Ad 8 136A 6 41,-2.3 43,-3.0 -2,-0.5 2,-0.5 -0.934 11.7-154.7-119.1 133.8 -22.7 -39.2 25.3 95 95 A E E +Ad 7 137A 27 -88,-2.4 -89,-2.6 -2,-0.4 -88,-1.4 -0.939 25.6 167.2-107.8 119.2 -23.5 -42.6 23.9 96 96 A A E -Ad 5 138A 0 41,-2.8 43,-2.0 -2,-0.5 2,-0.3 -0.785 19.5-154.3-129.8 173.4 -26.9 -42.8 22.1 97 97 A E E -Ad 4 139A 109 -93,-1.8 -93,-1.9 41,-0.3 2,-0.4 -0.991 5.4-153.7-151.4 143.4 -28.7 -45.2 19.8 98 98 A S E -A 3 0A 11 41,-2.6 43,-0.3 -2,-0.3 -95,-0.1 -0.970 18.9-150.0-127.2 144.5 -31.4 -44.9 17.1 99 99 A D S S+ 0 0 135 -97,-0.7 -1,-0.1 -2,-0.4 -96,-0.1 0.661 87.0 69.2 -81.1 -17.2 -34.1 -47.2 15.8 100 100 A G S S- 0 0 6 -98,-0.3 41,-2.0 1,-0.1 2,-0.2 -0.105 83.1-119.1 -85.8-170.3 -33.9 -45.4 12.4 101 101 A V > - 0 0 34 39,-0.2 3,-0.8 40,-0.2 4,-0.1 -0.763 22.9-100.4-129.4 174.3 -30.9 -45.5 10.0 102 102 A V G > S+ 0 0 3 1,-0.3 3,-1.9 -2,-0.2 4,-0.2 0.835 116.7 60.0 -66.7 -38.7 -28.4 -43.1 8.3 103 103 A D G > S+ 0 0 104 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.738 85.5 81.0 -63.5 -16.9 -30.2 -42.9 5.0 104 104 A D G < S+ 0 0 102 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.729 88.0 56.6 -59.9 -17.8 -33.1 -41.5 7.0 105 105 A F G X S- 0 0 33 -3,-1.9 3,-1.8 1,-0.2 4,-0.5 0.551 85.9-176.4 -92.1 -11.1 -31.2 -38.2 6.8 106 106 A G T < S+ 0 0 50 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 -0.289 70.3 8.7 61.4-118.5 -31.0 -38.1 3.0 107 107 A D T 3 S- 0 0 102 -2,-0.2 -1,-0.3 1,-0.1 -4,-0.0 0.437 98.6-120.7 -72.7 -1.7 -29.0 -35.2 1.6 108 108 A F < + 0 0 24 -3,-1.8 -2,-0.1 1,-0.2 105,-0.1 0.764 44.6 179.0 60.3 31.1 -27.8 -34.3 5.2 109 109 A A - 0 0 9 -4,-0.5 2,-3.0 1,-0.1 5,-0.2 -0.406 40.5-110.5 -62.5 134.4 -29.4 -30.8 5.1 110 110 A P + 0 0 2 0, 0.0 271,-0.9 0, 0.0 -1,-0.1 -0.189 64.4 149.2 -70.2 53.6 -28.8 -28.9 8.4 111 111 A T >> - 0 0 48 -2,-3.0 3,-1.3 269,-0.2 4,-0.5 -0.116 68.2 -91.2 -71.9 176.6 -32.5 -29.0 9.5 112 112 A L H >> S+ 0 0 86 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.812 120.5 76.1 -57.7 -34.8 -33.7 -29.1 13.1 113 113 A E H >4 S+ 0 0 120 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.843 91.9 52.7 -44.6 -40.7 -33.7 -32.9 12.7 114 114 A L H X4 S+ 0 0 2 -3,-1.3 3,-2.3 1,-0.2 4,-0.3 0.762 89.5 73.7 -76.3 -25.4 -29.8 -32.9 13.1 115 115 A R H X< S+ 0 0 95 -3,-1.1 3,-2.2 -4,-0.5 -1,-0.2 0.875 86.4 68.7 -53.4 -35.5 -29.8 -30.9 16.3 116 116 A R T << S+ 0 0 53 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.614 90.5 60.9 -60.1 -15.1 -31.0 -34.2 17.9 117 117 A L T < S+ 0 0 0 -3,-2.3 -1,-0.3 262,-0.1 31,-0.2 0.536 99.1 63.9 -88.8 -9.8 -27.5 -35.7 17.2 118 118 A I S < S- 0 0 18 -3,-2.2 31,-0.1 -4,-0.3 17,-0.1 -0.938 97.0-106.7-108.1 139.7 -25.7 -33.1 19.4 119 119 A P - 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