==== 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 09-JUL-12 4G0B . COMPND 2 MOLECULE: HYDROXYCINNAMOYL-COA SHIKIMATE/QUINATE . SOURCE 2 ORGANISM_SCIENTIFIC: COFFEA CANEPHORA; . AUTHOR L.A.LALLEMAND,J.G.MCCARTHY,A.A.MCCARTHY . 844 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 15.6 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 66 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 2 0 3 2 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 PARALLEL BRIDGES PER LADDER . 3 0 4 6 3 0 3 4 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 . 3 2 0 1 3 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 76 0, 0.0 2,-0.3 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 100.8 -62.5 -26.5 38.2 2 2 A K - 0 0 167 2,-0.0 97,-2.3 0, 0.0 98,-0.4 -0.626 360.0-161.6 -87.1 145.0 -64.3 -23.3 37.3 3 3 A I E -A 98 0A 38 -2,-0.3 2,-0.4 95,-0.2 95,-0.3 -0.969 7.4-162.8-128.0 118.9 -62.3 -20.1 36.4 4 4 A E E -A 97 0A 141 93,-3.2 93,-2.7 -2,-0.4 2,-0.5 -0.847 17.1-132.6-112.5 137.3 -63.9 -16.7 36.5 5 5 A V E +A 96 0A 79 -2,-0.4 91,-0.3 91,-0.2 3,-0.1 -0.656 28.5 167.9 -79.1 125.9 -62.9 -13.4 35.0 6 6 A K E + 0 0 61 89,-3.2 2,-0.3 -2,-0.5 90,-0.2 0.767 65.3 12.4-105.5 -43.0 -63.0 -10.6 37.5 7 7 A E E -A 95 0A 105 88,-1.9 88,-3.1 2,-0.0 -1,-0.4 -0.980 55.1-176.9-137.9 155.8 -61.2 -7.7 35.7 8 8 A S E +A 94 0A 71 -2,-0.3 2,-0.3 86,-0.3 86,-0.2 -0.850 11.2 176.7-156.5 107.3 -60.0 -7.1 32.2 9 9 A T E -A 93 0A 48 84,-2.7 84,-3.2 -2,-0.3 2,-0.8 -0.849 30.5-139.3-116.9 148.8 -58.1 -4.1 31.2 10 10 A M E -A 92 0A 82 -2,-0.3 2,-0.5 82,-0.2 82,-0.2 -0.906 34.1-156.3-101.1 98.1 -56.5 -2.9 27.9 11 11 A V E -A 91 0A 11 80,-3.0 80,-2.8 -2,-0.8 3,-0.1 -0.661 11.2-169.9 -88.9 123.8 -53.3 -1.5 29.3 12 12 A R - 0 0 165 -2,-0.5 52,-0.1 78,-0.3 77,-0.1 -0.558 37.2 -69.1-105.8 168.4 -51.5 1.2 27.3 13 13 A P - 0 0 23 0, 0.0 49,-0.2 0, 0.0 -1,-0.1 -0.282 43.1-118.6 -60.6 145.1 -48.0 2.8 27.7 14 14 A A S S+ 0 0 54 47,-1.7 2,-0.3 44,-0.1 48,-0.1 0.261 93.4 5.6 -73.8 13.9 -47.5 5.1 30.7 15 15 A Q S S- 0 0 126 46,-0.2 0, 0.0 47,-0.0 0, 0.0 -0.932 104.5 -52.3-179.5 166.0 -46.8 8.0 28.3 16 16 A E - 0 0 182 -2,-0.3 -2,-0.1 1,-0.0 72,-0.0 -0.162 50.4-164.8 -53.5 141.6 -46.8 8.9 24.6 17 17 A T - 0 0 25 -4,-0.1 2,-0.1 70,-0.1 -1,-0.0 -0.955 32.8 -85.6-128.0 149.4 -44.8 6.6 22.3 18 18 A P - 0 0 73 0, 0.0 2,-0.2 0, 0.0 70,-0.1 -0.298 38.1-129.7 -55.7 122.0 -43.6 7.1 18.7 19 19 A G + 0 0 71 -2,-0.1 2,-0.3 68,-0.1 68,-0.2 -0.572 45.0 166.3 -65.0 134.0 -46.3 6.2 16.1 20 20 A R E -F 86 0B 78 66,-0.8 66,-3.0 -2,-0.2 2,-0.7 -0.991 44.2-136.1-155.6 144.0 -44.4 4.0 13.8 21 21 A N E -F 85 0B 79 -2,-0.3 2,-0.7 64,-0.2 64,-0.2 -0.917 34.7-155.5-104.3 106.6 -45.1 1.6 11.0 22 22 A L E -F 84 0B 3 62,-2.7 62,-2.3 -2,-0.7 162,-0.1 -0.777 4.3-137.2-104.2 112.3 -42.8 -1.3 11.8 23 23 A W - 0 0 52 -2,-0.7 2,-0.4 60,-0.2 162,-0.4 -0.093 9.6-142.2 -63.9 149.4 -41.6 -3.6 9.1 24 24 A N - 0 0 0 58,-0.3 -1,-0.1 160,-0.1 131,-0.0 -0.965 10.2-138.3-113.5 138.3 -41.3 -7.4 9.4 25 25 A S >> - 0 0 0 -2,-0.4 3,-1.2 264,-0.1 4,-0.7 -0.205 37.0 -96.1 -77.9 175.2 -38.6 -9.5 7.9 26 26 A N H >> S+ 0 0 0 162,-0.5 4,-2.1 1,-0.3 3,-1.3 0.921 129.4 52.1 -60.5 -39.1 -39.3 -12.8 6.2 27 27 A V H 34 S+ 0 0 8 1,-0.3 -1,-0.3 161,-0.2 264,-0.2 0.618 106.4 53.9 -77.4 -9.0 -38.5 -14.6 9.4 28 28 A D H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.501 111.9 46.7 -92.7 -13.6 -41.0 -12.3 11.3 29 29 A L H << S+ 0 0 20 -3,-1.3 2,-1.7 -4,-0.7 -2,-0.2 0.709 94.8 73.2-101.8 -26.9 -43.6 -13.3 8.8 30 30 A V S < S+ 0 0 30 -4,-2.1 -1,-0.2 -5,-0.1 315,-0.1 -0.639 79.5 137.1 -84.4 80.4 -43.0 -17.2 8.8 31 31 A V S S- 0 0 1 -2,-1.7 2,-0.3 -3,-0.1 313,-0.1 -0.947 72.0 -90.0-131.1 144.7 -44.6 -17.5 12.2 32 32 A P - 0 0 49 0, 0.0 2,-1.0 0, 0.0 121,-0.5 -0.442 48.9-137.0 -34.6 106.0 -47.0 -19.7 14.1 33 33 A N S S+ 0 0 72 -2,-0.3 2,-0.2 308,-0.1 119,-0.1 -0.199 77.1 48.3 -85.9 44.4 -50.1 -17.7 13.1 34 34 A F S S- 0 0 79 -2,-1.0 119,-0.8 117,-0.1 2,-0.5 -0.652 106.6 -58.0-145.2-156.8 -51.8 -17.7 16.6 35 35 A H E -B 152 0A 12 -2,-0.2 117,-0.2 117,-0.2 -2,-0.1 -0.885 43.7-136.4 -97.3 122.3 -50.6 -16.8 20.1 36 36 A T E -B 151 0A 43 115,-2.0 115,-1.6 -2,-0.5 2,-0.4 -0.678 30.1-141.8 -76.5 124.6 -47.6 -18.9 21.4 37 37 A P E +B 150 0A 13 0, 0.0 344,-2.9 0, 0.0 2,-0.3 -0.714 25.0 175.2-100.8 138.3 -48.6 -19.7 25.0 38 38 A S E -BC 149 380A 20 111,-1.8 111,-2.4 -2,-0.4 2,-0.4 -0.954 12.1-155.0-126.2 152.6 -46.4 -19.9 28.1 39 39 A V E -BC 148 379A 0 340,-3.2 340,-1.9 -2,-0.3 2,-0.4 -0.979 6.4-170.4-123.8 145.3 -47.4 -20.5 31.8 40 40 A Y E -BC 147 378A 0 107,-1.7 107,-2.1 -2,-0.4 2,-0.4 -0.987 7.5-159.8-122.8 144.6 -45.8 -19.6 35.1 41 41 A F E -BC 146 377A 0 336,-2.0 335,-2.9 -2,-0.4 336,-1.0 -0.964 6.2-165.4-121.0 139.4 -46.8 -20.8 38.5 42 42 A Y E -B 145 0A 1 103,-2.4 103,-2.0 -2,-0.4 60,-0.1 -0.994 14.6-135.3-129.8 130.7 -46.0 -19.2 41.7 43 43 A R - 0 0 61 -2,-0.4 101,-0.1 331,-0.4 2,-0.1 -0.495 37.1 -99.8 -68.5 141.8 -46.2 -20.4 45.3 44 44 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 -0.410 26.7-162.0 -60.2 140.1 -47.7 -18.1 48.0 45 45 A T - 0 0 36 2,-0.2 3,-0.1 98,-0.1 98,-0.0 0.477 43.8-109.3 -99.2 -6.1 -45.1 -16.3 50.1 46 46 A G S S+ 0 0 41 1,-0.3 484,-0.0 97,-0.1 97,-0.0 0.049 73.9 142.9 95.7 -21.9 -47.4 -15.4 53.0 47 47 A S > - 0 0 44 1,-0.1 3,-1.0 2,-0.1 -1,-0.3 -0.178 52.0-140.8 -55.1 137.5 -47.1 -11.8 51.8 48 48 A S T 3 S+ 0 0 133 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.652 101.4 45.3 -79.2 -14.6 -50.4 -9.9 52.2 49 49 A N T > S+ 0 0 76 3,-0.1 3,-1.4 0, 0.0 -1,-0.2 0.059 80.6 162.3-115.0 21.7 -50.0 -8.0 48.9 50 50 A F T < S- 0 0 32 -3,-1.0 321,-0.0 1,-0.3 322,-0.0 -0.205 73.4 -8.8 -44.2 121.5 -48.9 -11.1 46.8 51 51 A F T 3 S- 0 0 2 1,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.859 85.1-164.0 45.1 49.9 -49.3 -10.4 43.1 52 52 A D <> - 0 0 59 -3,-1.4 4,-2.6 1,-0.1 -1,-0.2 -0.423 13.1-146.2 -58.8 122.1 -51.1 -7.1 43.6 53 53 A A H > S+ 0 0 12 -2,-0.3 4,-3.6 2,-0.2 5,-0.3 0.919 96.2 56.2 -63.7 -45.0 -52.8 -6.2 40.3 54 54 A K H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.1 45.7 -48.7 -45.8 -52.4 -2.4 40.7 55 55 A V H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.945 115.9 44.9 -64.3 -47.3 -48.6 -3.0 41.1 56 56 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.944 114.2 48.5 -60.6 -47.7 -48.5 -5.4 38.1 57 57 A K H X S+ 0 0 53 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.822 110.0 51.3 -65.1 -35.7 -50.6 -3.1 35.9 58 58 A D H X S+ 0 0 106 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.945 112.5 46.2 -69.1 -41.7 -48.6 -0.1 36.7 59 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.843 109.9 53.0 -70.3 -38.5 -45.3 -1.8 35.9 60 60 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.928 108.2 51.7 -59.2 -48.5 -46.7 -3.3 32.6 61 61 A S H < S+ 0 0 21 -4,-2.0 -47,-1.7 1,-0.2 -2,-0.2 0.897 113.9 43.9 -54.4 -44.8 -47.7 0.1 31.5 62 62 A R H >< S+ 0 0 100 -4,-1.9 3,-1.8 -49,-0.2 -2,-0.2 0.886 109.7 54.6 -65.7 -45.9 -44.2 1.4 32.2 63 63 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 -1,-0.2 0.793 100.1 65.3 -51.9 -32.6 -42.5 -1.6 30.6 64 64 A L T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 7,-0.2 0.419 86.0 71.4 -80.3 1.4 -44.6 -0.7 27.6 65 65 A V T X4 S+ 0 0 33 -3,-1.8 3,-0.9 2,-0.1 -1,-0.2 0.943 107.6 31.3 -82.7 -52.9 -42.8 2.6 27.1 66 66 A P T 34 S+ 0 0 47 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.925 126.5 45.5 -69.0 -36.6 -39.5 1.1 25.9 67 67 A F T >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.2 4,-0.3 -0.231 73.0 149.3 -95.5 44.1 -41.2 -1.9 24.3 68 68 A Y G X + 0 0 35 -3,-0.9 3,-2.5 -2,-0.4 4,-0.4 0.782 58.4 69.5 -51.9 -35.3 -43.9 0.1 22.6 69 69 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.796 87.5 70.6 -55.0 -20.7 -44.4 -2.2 19.6 70 70 A M G < S+ 0 0 0 -3,-2.3 62,-0.4 1,-0.3 63,-0.2 0.742 95.2 51.1 -71.8 -17.9 -45.9 -4.6 22.0 71 71 A A G < S+ 0 0 0 -3,-2.5 19,-2.2 -4,-0.3 18,-0.6 0.461 97.6 101.6 -91.4 -1.2 -49.0 -2.3 22.4 72 72 A G < - 0 0 0 -3,-1.6 60,-0.6 -4,-0.4 2,-0.3 0.219 62.7-134.5 -74.3-168.7 -49.3 -2.2 18.6 73 73 A R E -G 85 0B 6 12,-1.9 12,-2.1 58,-0.1 2,-0.2 -0.962 27.0 -98.8-144.3 153.6 -51.7 -4.0 16.2 74 74 A L E +G 84 0B 0 53,-0.9 2,-0.3 56,-0.3 10,-0.2 -0.516 42.5 176.8 -72.7 148.7 -51.1 -5.8 12.8 75 75 A K E -G 83 0B 62 8,-1.8 8,-2.6 -2,-0.2 2,-0.3 -0.972 30.3-115.3-144.7 147.6 -51.9 -3.7 9.8 76 76 A R E -G 82 0B 141 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.720 29.8-134.7 -87.8 142.6 -51.5 -4.6 6.2 77 77 A D - 0 0 38 4,-2.0 -1,-0.1 -2,-0.3 5,-0.0 -0.094 31.0 -92.8 -85.4-175.8 -49.0 -2.6 4.2 78 78 A E S S+ 0 0 161 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.957 130.9 44.0 -72.8 -50.2 -49.5 -1.1 0.7 79 79 A D S S- 0 0 103 1,-0.0 -1,-0.2 2,-0.0 -3,-0.0 0.546 130.3-104.9 -62.0 -9.0 -48.0 -4.1 -1.2 80 80 A G S S+ 0 0 44 1,-0.2 2,-0.3 -3,-0.0 -2,-0.1 0.826 71.1 146.9 88.8 36.7 -50.1 -6.0 1.4 81 81 A R - 0 0 51 1,-0.0 -4,-2.0 -57,-0.0 2,-0.5 -0.737 54.5-103.4-104.7 145.5 -47.4 -7.2 3.8 82 82 A I E + G 0 76B 23 -2,-0.3 -58,-0.3 -6,-0.2 2,-0.2 -0.561 49.7 164.4 -75.0 120.5 -48.0 -7.6 7.5 83 83 A E E - G 0 75B 21 -8,-2.6 -8,-1.8 -2,-0.5 2,-0.7 -0.744 38.6-104.6-118.3 178.5 -46.4 -4.8 9.5 84 84 A I E -FG 22 74B 0 -62,-2.3 -62,-2.7 -2,-0.2 2,-0.6 -0.888 20.6-152.9-108.7 107.0 -46.8 -3.5 13.1 85 85 A E E -FG 21 73B 61 -12,-2.1 -12,-1.9 -2,-0.7 2,-1.4 -0.669 10.1-150.9 -68.8 115.9 -48.7 -0.4 13.6 86 86 A C E +F 20 0B 4 -66,-3.0 -66,-0.8 -2,-0.6 -14,-0.1 -0.757 45.5 140.7 -87.5 87.3 -47.2 1.1 16.8 87 87 A N - 0 0 54 -2,-1.4 -1,-0.2 -68,-0.2 -15,-0.1 0.441 61.3-126.4-112.8 -5.1 -50.4 2.8 17.8 88 88 A G + 0 0 14 -20,-0.3 -16,-0.2 -3,-0.2 3,-0.1 0.732 57.1 147.4 66.4 25.8 -50.2 2.1 21.5 89 89 A E - 0 0 107 -18,-0.6 -17,-0.2 1,-0.2 2,-0.1 0.787 54.7-139.8 -60.0 -29.8 -53.7 0.5 21.7 90 90 A G - 0 0 0 -19,-2.2 2,-0.4 -22,-0.2 42,-0.3 -0.345 8.5 -57.5 109.1-179.6 -52.2 -1.7 24.4 91 91 A V E -A 11 0A 0 -80,-2.8 -80,-3.0 40,-0.1 2,-0.6 -0.843 45.2-118.4-109.6 138.6 -51.9 -5.1 26.0 92 92 A L E -Ad 10 134A 41 41,-1.7 43,-2.1 -2,-0.4 2,-0.6 -0.686 28.6-172.0 -83.4 119.5 -54.8 -7.1 27.4 93 93 A F E -Ad 9 135A 0 -84,-3.2 -84,-2.7 -2,-0.6 2,-0.5 -0.935 3.4-170.5-112.6 113.0 -54.5 -7.8 31.1 94 94 A V E -Ad 8 136A 8 41,-3.4 43,-2.5 -2,-0.6 2,-0.5 -0.903 11.5-157.8-107.8 133.0 -57.0 -10.2 32.6 95 95 A E E +Ad 7 137A 26 -88,-3.1 -89,-3.2 -2,-0.5 -88,-1.9 -0.943 25.1 172.1-102.3 117.1 -57.5 -10.9 36.4 96 96 A A E -Ad 5 138A 0 41,-2.6 43,-2.5 -2,-0.5 2,-0.4 -0.936 22.4-149.1-128.5 150.0 -59.2 -14.3 37.0 97 97 A E E -Ad 4 139A 110 -93,-2.7 -93,-3.2 -2,-0.3 2,-0.4 -0.909 9.0-154.0-113.9 144.7 -60.0 -16.5 40.0 98 98 A S E -A 3 0A 7 41,-2.1 -95,-0.2 -2,-0.4 -2,-0.0 -0.906 17.1-143.4-114.3 147.8 -60.2 -20.3 40.1 99 99 A D S S+ 0 0 83 -97,-2.3 -96,-0.1 -2,-0.4 2,-0.1 0.571 86.7 62.1 -79.6 -11.9 -62.2 -22.4 42.5 100 100 A G S S- 0 0 9 -98,-0.4 41,-2.8 1,-0.1 2,-0.2 -0.230 84.6-104.7-102.3-166.5 -59.4 -24.9 42.5 101 101 A V > - 0 0 25 39,-0.2 3,-1.3 40,-0.2 4,-0.1 -0.758 27.8-103.9-124.6 166.6 -55.7 -24.9 43.5 102 102 A V G > S+ 0 0 9 1,-0.3 3,-1.6 -2,-0.2 4,-0.1 0.865 113.4 58.2 -58.7 -45.1 -52.3 -24.8 41.8 103 103 A D G > S+ 0 0 31 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.514 80.7 85.1 -66.9 -8.4 -51.4 -28.5 42.3 104 104 A D G < S+ 0 0 101 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.602 87.2 59.3 -66.6 -9.8 -54.5 -29.6 40.4 105 105 A F G X S- 0 0 24 -3,-1.6 3,-1.5 1,-0.2 4,-0.3 0.503 92.3-171.4 -93.6 -8.0 -52.2 -29.2 37.4 106 106 A G T < + 0 0 23 -3,-1.4 -1,-0.2 362,-0.3 -2,-0.1 -0.257 65.0 4.5 66.8-132.8 -49.8 -31.7 38.8 107 107 A D T 3 S- 0 0 97 1,-0.1 -1,-0.3 109,-0.1 362,-0.1 0.407 102.3-114.9 -68.5 2.8 -46.4 -32.2 37.1 108 108 A F < - 0 0 11 -3,-1.5 -2,-0.2 1,-0.2 -1,-0.1 0.685 47.2-178.4 67.6 22.7 -47.5 -29.2 34.9 109 109 A A - 0 0 10 -4,-0.3 2,-3.2 1,-0.2 5,-0.2 -0.273 38.5-111.6 -48.2 130.3 -47.6 -31.3 31.7 110 110 A P + 0 0 0 0, 0.0 273,-2.5 0, 0.0 -1,-0.2 -0.241 61.0 152.3 -71.4 56.8 -48.6 -29.1 28.8 111 111 A T > - 0 0 53 -2,-3.2 3,-1.9 271,-0.2 4,-0.3 -0.431 66.5 -99.5 -71.1 160.9 -52.0 -30.7 28.3 112 112 A L T 3 S+ 0 0 95 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.174 114.6 86.5 -72.3 22.8 -54.6 -28.3 26.8 113 113 A E T > S+ 0 0 105 -4,-0.2 3,-1.6 1,-0.1 -1,-0.3 0.839 80.1 60.1 -81.3 -36.1 -55.8 -28.0 30.3 114 114 A L G X S+ 0 0 1 -3,-1.9 3,-2.4 1,-0.3 4,-0.2 0.681 84.4 80.9 -60.0 -21.4 -53.3 -25.2 30.7 115 115 A R G > S+ 0 0 85 1,-0.3 3,-1.0 -4,-0.3 -1,-0.3 0.713 77.4 69.7 -63.2 -22.8 -55.0 -23.3 27.9 116 116 A R G < S+ 0 0 106 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.600 93.4 60.1 -62.6 -15.2 -57.6 -22.2 30.5 117 117 A L G < S+ 0 0 0 -3,-2.4 31,-0.4 -4,-0.1 -1,-0.2 0.524 95.1 63.1-102.1 -7.9 -54.9 -20.0 32.0 118 118 A I S < S- 0 0 13 -3,-1.0 31,-0.1 -4,-0.2 17,-0.1 -0.969 98.9-100.9-110.4 133.6 -54.0 -17.8 29.0 119 119 A P - 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