==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-MAR-10 3AFL . COMPND 2 MOLECULE: OLIGO ALGINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR A.OCHIAI,M.YAMASAKI,B.MIKAMI,W.HASHIMOTO,K.MURATA . 766 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 0.1 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 2 2 2 1 2 1 0 1 0 2 1 1 1 0 0 0 0 1 1 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 1 5 2 4 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 0 0 0 0 1 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 11 A Q 0 0 167 0, 0.0 95,-0.2 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 102.9 9.2 -29.8 -16.9 2 12 A T B -a 96 0A 72 93,-1.5 95,-1.2 1,-0.1 2,-0.3 -0.043 360.0-103.5 -64.7 164.2 10.6 -26.2 -16.5 3 13 A L - 0 0 131 93,-0.2 2,-0.5 0, 0.0 -1,-0.1 -0.704 34.7-128.9 -81.2 144.5 13.4 -25.1 -14.1 4 14 A L - 0 0 7 -2,-0.3 2,-0.5 94,-0.1 92,-0.0 -0.866 14.6-134.9 -96.1 127.1 12.2 -23.4 -11.0 5 15 A D - 0 0 73 -2,-0.5 33,-0.0 1,-0.0 94,-0.0 -0.725 19.5-174.7 -80.7 125.6 13.8 -20.0 -10.2 6 16 A E - 0 0 54 -2,-0.5 30,-0.1 30,-0.1 -1,-0.0 -0.781 17.7-157.7-117.5 82.1 14.7 -19.8 -6.6 7 17 A P - 0 0 39 0, 0.0 27,-0.2 0, 0.0 -2,-0.0 -0.214 23.2-104.9 -63.3 149.8 16.0 -16.1 -6.3 8 18 A R - 0 0 234 1,-0.1 7,-0.0 7,-0.0 0, 0.0 -0.593 44.4-111.1 -72.0 132.5 18.3 -15.1 -3.5 9 19 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.095 31.3-147.9 -60.2 163.8 16.4 -13.0 -0.9 10 20 A G > - 0 0 40 4,-0.4 3,-1.1 1,-0.0 0, 0.0 -0.816 28.5-101.8-132.1 170.1 17.0 -9.3 -0.4 11 21 A S T 3 S+ 0 0 61 -2,-0.3 -1,-0.0 1,-0.2 569,-0.0 0.811 121.8 37.6 -64.9 -30.2 16.8 -6.9 2.5 12 22 A L T 3 S+ 0 0 29 2,-0.1 286,-0.5 285,-0.0 -1,-0.2 0.136 106.3 79.0-111.3 18.6 13.4 -5.5 1.5 13 23 A T S < S- 0 0 24 -3,-1.1 283,-0.2 283,-0.2 2,-0.1 -0.614 86.0 -94.9-109.0 174.6 11.8 -8.8 0.3 14 24 A I - 0 0 16 281,-1.3 -4,-0.4 -2,-0.2 2,-0.2 -0.310 41.5-132.9 -74.2 172.7 10.2 -11.7 2.2 15 25 A G - 0 0 28 -6,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.574 25.5 -85.3-117.8-176.8 12.3 -14.8 3.0 16 26 A Y - 0 0 29 -2,-0.2 17,-0.2 17,-0.1 6,-0.1 -0.866 58.1-138.2 -94.4 112.3 12.0 -18.5 2.8 17 27 A E B +B 32 0B 89 15,-1.8 15,-1.9 -2,-0.7 2,-0.1 -0.980 65.3 27.6-131.8 141.1 10.1 -19.7 5.9 18 28 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.544 77.6 139.4 -91.4 160.1 10.3 -21.9 7.9 19 29 A S B > -D 22 0C 12 3,-1.8 3,-1.0 83,-0.1 86,-0.2 -0.902 69.1 -94.0-145.3 173.8 14.0 -23.0 8.0 20 30 A E T 3 S+ 0 0 117 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.864 130.1 53.6 -54.6 -37.0 16.7 -24.1 10.4 21 31 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.648 122.5 27.2 -70.4 -21.5 17.6 -20.4 10.3 22 32 A A B < S-D 19 0C 31 -3,-1.0 -3,-1.8 -6,-0.1 -1,-0.3 -0.687 80.3-157.1-148.0 89.1 14.0 -19.4 11.2 23 33 A Q - 0 0 82 -3,-0.4 2,-0.1 -2,-0.2 81,-0.1 -0.335 31.6 -97.4 -69.0 146.8 11.9 -22.0 13.2 24 34 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 81,-0.1 -0.392 24.5-165.2 -67.1 137.5 8.1 -21.8 13.1 25 35 A T S S+ 0 0 63 -2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.336 73.2 50.9 -99.2 1.6 6.3 -20.0 16.0 26 36 A E S S- 0 0 8 84,-0.2 86,-0.2 355,-0.1 4,-0.1 -0.973 85.7-103.4-139.4 153.3 3.0 -21.5 15.0 27 37 A N B S+e 112 0D 0 84,-2.8 86,-1.9 -2,-0.3 47,-0.2 -0.977 112.3 30.6-119.1 117.5 1.4 -24.9 14.2 28 38 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 85,-0.1 0.561 109.6-118.7 -78.3 154.9 1.0 -25.3 11.3 29 39 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.030 20.2-110.0 -55.6 157.4 4.0 -23.2 10.2 30 40 A R - 0 0 22 40,-0.1 2,-0.6 -4,-0.1 40,-0.2 -0.833 35.5-152.0 -91.8 122.7 3.7 -20.1 8.0 31 41 A F E + C 0 69B 0 38,-2.7 38,-2.9 -2,-0.6 2,-0.3 -0.883 24.1 159.0-107.3 122.8 5.0 -20.9 4.6 32 42 A S E +BC 17 68B 7 -15,-1.9 -15,-1.8 -2,-0.6 2,-0.3 -0.994 5.7 166.6-138.0 145.4 6.6 -18.3 2.3 33 43 A W - 0 0 0 34,-2.1 -17,-0.1 -2,-0.3 -18,-0.1 -0.968 42.9 -96.9-148.3 157.0 8.9 -18.4 -0.7 34 44 A L - 0 0 7 -2,-0.3 261,-0.1 -27,-0.2 -19,-0.0 -0.585 54.5-101.6 -77.4 142.0 10.0 -15.9 -3.3 35 45 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.071 30.8-106.9 -71.3 162.9 8.0 -16.4 -6.6 36 46 A D - 0 0 13 2,-0.2 -32,-0.1 -30,-0.1 5,-0.1 -0.127 38.0 -98.5 -72.0 176.1 9.1 -18.1 -9.8 37 47 A I S S+ 0 0 137 1,-0.2 2,-1.5 3,-0.0 -1,-0.1 0.824 107.9 81.7 -65.0 -31.7 9.9 -16.2 -13.0 38 48 A D - 0 0 86 1,-0.2 -2,-0.2 -33,-0.0 -1,-0.2 -0.582 68.6-161.9 -83.2 87.1 6.5 -16.9 -14.4 39 49 A D S S+ 0 0 117 -2,-1.5 2,-1.0 1,-0.2 -1,-0.2 0.713 84.4 59.0 -48.1 -30.8 4.4 -14.2 -12.7 40 50 A G S S+ 0 0 65 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.768 84.9 127.9 -94.6 86.6 1.2 -16.1 -13.5 41 51 A A - 0 0 22 -2,-1.0 2,-0.4 24,-0.2 47,-0.1 -0.989 46.3-148.9-143.7 153.0 1.9 -19.4 -11.7 42 52 A R E -F 87 0E 70 45,-0.5 45,-3.1 -2,-0.3 23,-0.2 -0.926 22.3-143.3-121.5 146.1 0.4 -21.7 -9.1 43 53 A Y E -FG 86 64E 10 21,-2.3 21,-2.4 -2,-0.4 2,-0.4 -0.605 10.1-149.5-112.4 164.3 2.4 -23.8 -6.7 44 54 A V E -F 85 0E 2 41,-2.0 41,-1.8 -2,-0.2 2,-0.4 -0.999 17.6-155.1-132.2 134.1 2.4 -27.2 -5.0 45 55 A L E -FG 84 61E 0 16,-2.8 16,-2.5 -2,-0.4 2,-0.4 -0.914 2.5-159.1-118.4 131.9 3.9 -27.7 -1.5 46 56 A R E +FG 83 60E 57 37,-3.2 37,-1.5 -2,-0.4 2,-0.3 -0.891 9.6 179.8-110.4 138.6 5.3 -30.9 0.1 47 57 A I E +FG 82 59E 4 12,-2.0 12,-3.1 -2,-0.4 2,-0.3 -0.997 12.9 151.4-138.5 136.7 5.7 -31.6 3.8 48 58 A S E -FG 81 58E 1 33,-2.3 33,-2.3 -2,-0.3 10,-0.2 -0.984 48.7-143.3-162.2 145.3 7.1 -34.8 5.4 49 59 A T S S+ 0 0 64 8,-0.6 9,-0.1 -2,-0.3 30,-0.1 0.652 93.0 84.7 -76.1 -21.3 8.9 -36.2 8.5 50 60 A D S > S- 0 0 44 7,-0.4 3,-1.7 4,-0.2 31,-0.1 -0.752 74.2-152.1 -83.7 122.0 10.5 -38.5 5.9 51 61 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 0.721 98.6 57.8 -68.9 -18.2 13.5 -36.8 4.3 52 62 A G T 3 S- 0 0 61 -3,-0.0 -3,-0.0 2,-0.0 -2,-0.0 0.424 106.5-130.9 -86.3 -1.9 12.8 -38.9 1.2 53 63 A F < - 0 0 17 -3,-1.7 5,-0.1 1,-0.1 -6,-0.0 0.854 33.6-170.6 53.1 46.0 9.3 -37.4 0.9 54 64 A T >> - 0 0 68 1,-0.1 3,-0.6 3,-0.1 4,-0.6 -0.285 31.8-113.5 -66.0 150.6 7.5 -40.8 0.6 55 65 A D G >4 S+ 0 0 152 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.881 112.8 55.0 -48.0 -51.5 3.7 -40.8 -0.3 56 66 A K G 34 S+ 0 0 192 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.851 118.9 32.8 -53.1 -39.6 2.6 -42.3 3.0 57 67 A K G <4 S+ 0 0 132 -3,-0.6 -8,-0.6 2,-0.0 2,-0.5 0.258 97.8 96.9-110.9 12.3 4.3 -39.6 5.0 58 68 A T E << -G 48 0E 21 -3,-1.1 2,-0.5 -4,-0.6 -10,-0.2 -0.909 55.6-154.7-106.4 125.7 4.0 -36.6 2.7 59 69 A L E -G 47 0E 91 -12,-3.1 -12,-2.0 -2,-0.5 2,-0.4 -0.841 19.1-158.2 -87.1 131.2 1.2 -34.0 3.0 60 70 A V E -G 46 0E 68 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.951 14.1-168.0-120.4 131.0 0.6 -32.3 -0.3 61 71 A F E -G 45 0E 27 -16,-2.5 -16,-2.8 -2,-0.4 3,-0.3 -0.970 18.9-171.9-117.6 119.7 -1.0 -28.9 -1.0 62 72 A E E + 0 0 115 -2,-0.5 -18,-0.2 -18,-0.2 3,-0.2 -0.715 53.7 24.8-114.3 158.1 -1.9 -28.2 -4.6 63 73 A D E + 0 0 54 -20,-0.3 2,-0.8 -2,-0.3 -19,-0.2 0.729 67.9 179.4 67.6 27.7 -3.1 -25.3 -6.7 64 74 A L E -G 43 0E 15 -21,-2.4 -21,-2.3 -3,-0.3 -1,-0.2 -0.481 15.7-162.9 -65.6 102.3 -1.7 -22.7 -4.4 65 75 A A + 0 0 20 -2,-0.8 -24,-0.2 -23,-0.2 2,-0.2 0.827 69.3 50.8 -54.9 -35.3 -2.6 -19.4 -6.0 66 76 A W S S- 0 0 56 2,-0.3 -23,-0.2 -23,-0.1 -2,-0.0 -0.655 82.1-120.8-114.4 163.3 -0.0 -17.5 -3.9 67 77 A N S S+ 0 0 4 -2,-0.2 -34,-2.1 -25,-0.1 2,-0.3 0.063 99.0 57.9 -86.5 22.4 3.6 -17.7 -3.0 68 78 A F E +C 32 0B 2 -36,-0.2 2,-0.3 2,-0.0 -2,-0.3 -0.977 65.9 173.9-152.1 147.0 2.6 -18.0 0.7 69 79 A F E -C 31 0B 38 -38,-2.9 -38,-2.7 -2,-0.3 -5,-0.0 -0.999 24.6-158.0-157.7 146.0 0.4 -20.4 2.5 70 80 A T - 0 0 3 -2,-0.3 -40,-0.1 -40,-0.2 45,-0.1 -0.969 30.1-129.0-130.2 119.7 -1.0 -21.6 5.9 71 81 A P - 0 0 1 0, 0.0 44,-2.0 0, 0.0 -10,-0.0 -0.168 13.8-126.8 -61.8 155.4 -2.3 -25.2 6.1 72 82 A D S S+ 0 0 96 42,-0.2 2,-0.3 2,-0.1 45,-0.0 0.461 89.4 48.4 -89.5 -2.0 -5.8 -25.8 7.6 73 83 A E S S- 0 0 143 42,-0.1 42,-0.1 40,-0.1 40,-0.1 -0.984 83.8-115.9-131.8 148.3 -4.7 -28.4 10.2 74 84 A A - 0 0 17 -2,-0.3 38,-0.1 -47,-0.2 -2,-0.1 -0.302 34.5-114.7 -70.4 163.9 -1.8 -28.4 12.8 75 85 A L - 0 0 11 -2,-0.0 3,-0.1 1,-0.0 -1,-0.1 -0.795 22.0-110.9-102.2 142.8 1.0 -30.9 12.5 76 86 A P - 0 0 90 0, 0.0 30,-0.1 0, 0.0 -1,-0.0 -0.379 53.6 -86.1 -57.8 151.3 1.9 -33.7 14.9 77 87 A D S S+ 0 0 63 28,-0.1 2,-0.2 -2,-0.1 30,-0.2 -0.084 78.8 76.0 -60.5 160.6 5.2 -33.0 16.8 78 88 A G E S- H 0 106E 29 28,-2.0 28,-2.4 -3,-0.1 2,-0.5 -0.791 80.5 -37.8 134.3-174.6 8.6 -34.0 15.3 79 89 A H E - H 0 105E 94 -2,-0.2 2,-0.3 26,-0.2 26,-0.2 -0.788 60.3-166.4 -94.4 124.9 11.3 -33.2 12.7 80 90 A Y E - H 0 104E 14 24,-2.8 24,-1.5 -2,-0.5 2,-0.3 -0.741 18.7-162.4-120.9 157.0 10.0 -31.9 9.4 81 91 A H E +FH 48 103E 24 -33,-2.3 -33,-2.3 -2,-0.3 2,-0.3 -0.997 14.6 180.0-135.5 140.6 11.1 -31.3 5.8 82 92 A W E +FH 47 102E 0 20,-2.6 20,-2.4 -2,-0.3 2,-0.3 -0.993 9.0 164.1-143.7 150.6 9.4 -29.2 3.1 83 93 A C E -F 46 0E 0 -37,-1.5 -37,-3.2 -2,-0.3 2,-0.3 -0.975 16.5-148.3-157.5 160.9 9.8 -28.0 -0.5 84 94 A Y E +F 45 0E 0 -2,-0.3 15,-2.3 -39,-0.2 2,-0.3 -0.819 12.1 178.3-131.8 165.2 7.7 -26.4 -3.2 85 95 A A E -F 44 0E 0 -41,-1.8 -41,-2.0 -2,-0.3 2,-0.2 -0.943 40.1 -75.9-154.1 173.1 7.4 -26.5 -7.0 86 96 A L E -F 43 0E 5 11,-0.3 9,-2.0 -2,-0.3 10,-0.5 -0.545 46.0-151.2 -71.6 146.3 5.4 -25.1 -10.0 87 97 A W E -FI 42 94E 27 -45,-3.1 2,-0.7 7,-0.2 -45,-0.5 -0.987 8.1-142.8-129.1 124.3 2.0 -26.7 -10.4 88 98 A D E >> - I 0 93E 69 5,-2.8 5,-1.4 -2,-0.4 4,-0.8 -0.798 12.3-156.5 -88.6 116.2 0.1 -27.2 -13.7 89 99 A Q T 45S+ 0 0 103 -2,-0.7 3,-0.3 2,-0.2 -1,-0.2 0.892 85.6 38.5 -59.2 -53.1 -3.6 -26.6 -13.0 90 100 A K T 45S+ 0 0 203 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.937 118.6 45.5 -69.6 -49.3 -5.2 -28.6 -15.9 91 101 A S T 45S- 0 0 64 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.584 101.0-138.1 -69.7 -9.5 -2.8 -31.5 -16.0 92 102 A A T <5 + 0 0 65 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.919 62.9 107.3 47.2 54.3 -3.1 -31.7 -12.2 93 103 A T E - 0 0 42 -2,-0.4 3,-1.1 -30,-0.2 -2,-0.0 -0.889 41.9-116.7-129.1 165.1 6.6 -28.9 19.4 108 118 A E T 3 S+ 0 0 124 -2,-0.3 4,-0.1 1,-0.2 -81,-0.1 0.769 111.2 68.8 -67.4 -26.5 3.6 -29.1 21.6 109 119 A A T 3 S+ 0 0 92 2,-0.1 -1,-0.2 -3,-0.0 3,-0.0 0.664 79.5 95.6 -66.0 -19.3 4.6 -25.7 23.0 110 120 A L S < S- 0 0 28 -3,-1.1 -84,-0.2 1,-0.1 -85,-0.1 -0.637 87.0-108.5 -80.5 125.6 3.8 -24.0 19.7 111 121 A P - 0 0 50 0, 0.0 -84,-2.8 0, 0.0 2,-0.9 -0.158 26.7-126.1 -48.1 141.5 0.3 -22.4 19.5 112 122 A K B +e 27 0D 95 -86,-0.2 -38,-0.1 -4,-0.1 -86,-0.0 -0.828 46.0 154.7 -98.7 98.7 -2.1 -24.3 17.3 113 123 A T + 0 0 8 -86,-1.9 -40,-0.1 -2,-0.9 -1,-0.1 -0.563 14.9 177.6-128.6 65.7 -3.5 -21.8 14.8 114 124 A P - 0 0 43 0, 0.0 -42,-0.2 0, 0.0 -40,-0.1 -0.245 25.6-130.5 -68.7 159.3 -4.6 -23.4 11.5 115 125 A L - 0 0 5 -44,-2.0 -45,-0.1 -42,-0.1 -42,-0.1 -0.955 22.4-125.1-112.5 111.4 -6.1 -21.4 8.7 116 126 A P - 0 0 48 0, 0.0 -43,-0.1 0, 0.0 -46,-0.0 -0.272 35.0-111.4 -50.8 131.9 -9.4 -22.8 7.3 117 127 A G > - 0 0 27 1,-0.1 4,-3.3 4,-0.1 5,-0.2 -0.034 29.6 -95.1 -66.0 169.9 -9.1 -23.4 3.5 118 128 A R H > S+ 0 0 59 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.877 123.8 52.9 -56.4 -45.1 -11.0 -21.4 0.9 119 129 A S H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.965 114.3 42.3 -51.9 -58.6 -13.8 -24.0 0.6 120 130 A A H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.958 116.7 47.8 -51.6 -57.1 -14.4 -23.9 4.4 121 131 A R H X S+ 0 0 13 -4,-3.3 4,-0.6 1,-0.2 -2,-0.2 0.916 113.6 46.8 -55.5 -48.7 -14.0 -20.0 4.5 122 132 A H H >< S+ 0 0 85 -4,-3.5 3,-0.5 1,-0.2 -1,-0.2 0.852 112.8 50.0 -62.1 -36.2 -16.4 -19.5 1.5 123 133 A A H 3< S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.795 107.0 52.4 -76.1 -30.0 -19.0 -21.9 2.9 124 134 A A H 3< S+ 0 0 64 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.557 89.8 105.6 -81.4 -6.1 -19.1 -20.4 6.4 125 135 A A S << S- 0 0 19 -4,-0.6 249,-0.1 -3,-0.5 2,-0.1 -0.597 71.9-126.6 -81.1 130.0 -19.8 -17.0 4.9 126 136 A Q - 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