==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUN-10 3NKT . COMPND 2 MOLECULE: GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDAMINOBACTER SALICYLATOXIDANS; . AUTHOR M.FERRARONI,F.BRIGANTI,I.MATERA . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 5 1.4 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 0.3 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 2 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 1 5 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 2 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 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 4 A E 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.3 26.0 -53.5 -22.7 2 5 A K + 0 0 105 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.721 360.0 95.0 -92.4 -25.0 27.9 -51.9 -25.7 3 6 A L - 0 0 113 4,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.380 49.6-171.8 -69.8 142.1 25.9 -53.5 -28.8 4 7 A D > - 0 0 70 -2,-0.1 4,-1.6 40,-0.0 3,-0.1 -0.582 46.6 -87.1-115.2-172.2 23.1 -51.7 -30.5 5 8 A H T 4 S+ 0 0 52 1,-0.2 35,-0.1 -2,-0.2 36,-0.1 0.611 128.9 52.0 -72.9 -11.4 20.5 -52.9 -33.2 6 9 A E T 4 S+ 0 0 159 1,-0.1 -1,-0.2 34,-0.1 -3,-0.0 0.820 114.7 40.3 -82.4 -40.2 23.1 -51.9 -35.9 7 10 A S T 4 S+ 0 0 77 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.640 95.7 90.6 -92.1 -25.4 26.0 -53.8 -34.4 8 11 A V S < S- 0 0 59 -4,-1.6 2,-0.5 1,-0.1 -4,-0.0 -0.316 82.8 -99.2 -76.9 157.6 24.3 -57.1 -33.2 9 12 A T - 0 0 122 -2,-0.1 2,-1.1 1,-0.1 -1,-0.1 -0.679 23.7-137.1 -80.2 125.6 24.1 -60.3 -35.3 10 13 A Q + 0 0 104 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 -0.729 35.8 163.4 -79.7 100.6 20.7 -60.9 -37.0 11 14 A A + 0 0 95 -2,-1.1 -1,-0.2 1,-0.2 2,-0.1 0.435 61.7 68.4 -99.5 -5.5 20.3 -64.6 -36.3 12 15 A M + 0 0 127 24,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.398 61.7 128.1-109.0 49.5 16.6 -64.8 -37.1 13 16 A Q - 0 0 152 -3,-0.2 3,-0.1 -2,-0.1 24,-0.0 -0.905 50.1-150.0-106.0 99.8 16.9 -64.2 -40.9 14 17 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.263 26.4 -88.8 -74.5 160.6 14.9 -67.1 -42.4 15 18 A K - 0 0 177 1,-0.1 2,-2.0 5,-0.0 5,-0.2 -0.526 41.1-123.3 -65.4 124.9 15.7 -68.7 -45.9 16 19 A D + 0 0 115 -2,-0.3 -1,-0.1 4,-0.1 -3,-0.0 -0.465 57.6 146.0 -75.2 78.2 13.7 -66.8 -48.5 17 20 A T > - 0 0 53 -2,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.606 65.5-101.8-107.9 168.0 11.7 -69.7 -50.0 18 21 A P H > S+ 0 0 89 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.824 123.2 52.7 -60.3 -29.1 8.2 -70.0 -51.4 19 22 A E H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 107.8 49.0 -73.9 -42.3 7.0 -71.6 -48.2 20 23 A L H > S+ 0 0 28 2,-0.2 4,-2.2 -5,-0.2 5,-0.2 0.956 112.5 49.3 -57.4 -45.8 8.4 -68.7 -46.1 21 24 A R H X S+ 0 0 127 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.873 110.8 50.2 -62.9 -39.1 6.7 -66.2 -48.4 22 25 A A H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.821 108.8 52.2 -62.7 -37.5 3.4 -68.2 -48.1 23 26 A L H X S+ 0 0 82 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.892 111.1 46.8 -67.6 -39.9 3.8 -68.1 -44.2 24 27 A Y H X S+ 0 0 59 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.877 112.2 50.0 -71.8 -39.3 4.2 -64.3 -44.3 25 28 A K H X S+ 0 0 112 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.873 109.2 52.1 -59.5 -43.3 1.3 -63.9 -46.6 26 29 A S H X S+ 0 0 47 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.806 104.8 57.0 -65.7 -29.2 -0.7 -66.1 -44.3 27 30 A F H ><>S+ 0 0 36 -4,-1.4 5,-2.1 2,-0.2 3,-0.7 0.951 106.3 48.4 -60.3 -54.7 0.4 -63.8 -41.4 28 31 A E H ><5S+ 0 0 134 -4,-1.9 3,-1.0 1,-0.3 -2,-0.2 0.868 110.6 52.8 -54.8 -41.3 -1.1 -60.7 -43.1 29 32 A E H 3<5S+ 0 0 118 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.834 113.2 42.3 -62.1 -33.6 -4.3 -62.7 -43.7 30 33 A E T <<5S- 0 0 129 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.238 115.9-108.4-104.4 12.4 -4.7 -63.6 -40.1 31 34 A S T < 5S+ 0 0 114 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.891 72.0 140.8 57.6 49.8 -3.7 -60.2 -38.6 32 35 A I < - 0 0 84 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.947 33.3-172.0-121.2 131.7 -0.4 -61.3 -37.4 33 36 A I - 0 0 124 -2,-0.4 2,-0.1 -5,-0.0 5,-0.0 -0.972 23.9-131.8-126.7 118.6 2.9 -59.4 -37.4 34 37 A P > - 0 0 18 0, 0.0 3,-0.6 0, 0.0 4,-0.0 -0.376 6.7-137.5 -68.0 145.4 6.1 -61.3 -36.4 35 38 A L G > S+ 0 0 92 1,-0.2 3,-1.8 2,-0.1 4,-0.4 0.831 92.6 69.7 -64.1 -35.4 8.5 -59.8 -33.9 36 39 A W G 3 S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.653 93.2 53.3 -74.2 -13.3 11.6 -60.7 -35.6 37 40 A T G < S+ 0 0 78 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.336 123.2 29.5 -92.4 10.0 11.3 -58.3 -38.6 38 41 A Q S X> S+ 0 0 64 -3,-1.8 4,-1.9 2,-0.1 3,-0.6 0.273 74.8 119.8-156.5 2.0 10.8 -55.5 -36.3 39 42 A L H 3> S+ 0 0 58 -4,-0.4 4,-2.2 1,-0.2 -3,-0.1 0.906 78.4 50.3 -58.7 -45.5 12.6 -55.9 -33.0 40 43 A G H 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.2 -35,-0.1 0.787 110.3 51.9 -65.3 -28.3 14.9 -52.8 -33.2 41 44 A D H <4 S+ 0 0 136 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.919 111.7 43.2 -75.9 -43.8 12.0 -50.5 -34.0 42 45 A L H < S+ 0 0 103 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.829 124.9 33.9 -72.8 -29.9 9.7 -51.5 -31.2 43 46 A M S < S- 0 0 112 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.528 78.2-174.7-128.0 68.6 12.4 -51.6 -28.6 44 47 A P - 0 0 53 0, 0.0 -3,-0.1 0, 0.0 4,-0.0 -0.125 38.4-111.0 -61.0 161.3 15.1 -48.9 -29.3 45 48 A I S S- 0 0 93 1,-0.1 -5,-0.0 -5,-0.1 3,-0.0 0.807 100.4 -7.7 -56.9 -38.2 18.3 -48.7 -27.1 46 49 A H S S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 283,-0.0 -0.934 107.7 -57.2-151.7 165.3 17.0 -45.4 -25.7 47 50 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.196 47.6-178.1 -54.5 137.6 14.0 -43.2 -26.6 48 51 A K - 0 0 129 282,-0.0 281,-0.1 -4,-0.0 280,-0.0 -0.744 15.7-156.0-138.1 83.4 14.0 -42.1 -30.2 49 52 A S - 0 0 46 279,-0.5 48,-0.0 -2,-0.3 0, 0.0 -0.210 24.2-145.9 -70.0 151.3 11.0 -39.9 -30.8 50 53 A K S S+ 0 0 172 2,-0.1 41,-0.1 40,-0.0 2,-0.1 0.724 86.3 89.9 -76.4 -29.9 9.3 -39.3 -34.1 51 54 A A S S- 0 0 5 39,-0.1 46,-0.1 37,-0.1 -2,-0.1 -0.444 74.0-149.5 -62.4 145.5 8.7 -35.8 -32.6 52 55 A V - 0 0 62 -2,-0.1 37,-0.2 274,-0.0 2,-0.1 -0.825 22.3 -99.1-121.1 147.9 11.6 -33.5 -33.4 53 56 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 273,-0.2 -0.484 56.1 166.0 -61.6 146.0 12.9 -30.6 -31.4 54 57 A H E -A 325 0A 67 271,-1.2 271,-2.0 -2,-0.1 2,-0.4 -0.991 30.3-142.8-163.6 152.7 11.5 -27.4 -32.8 55 58 A V E -A 324 0A 27 -2,-0.3 2,-0.4 269,-0.2 269,-0.2 -0.974 8.4-160.8-122.8 134.0 11.1 -23.7 -32.0 56 59 A W E -A 323 0A 39 267,-2.9 267,-2.4 -2,-0.4 2,-0.3 -0.961 20.1-131.7-114.3 134.5 8.1 -21.5 -32.9 57 60 A K > - 0 0 71 -2,-0.4 4,-2.1 265,-0.2 5,-0.1 -0.630 5.3-139.9 -89.4 144.5 8.5 -17.7 -32.9 58 61 A W H > S+ 0 0 12 -2,-0.3 4,-3.5 2,-0.2 5,-0.2 0.893 102.4 56.6 -74.4 -37.5 6.0 -15.5 -31.1 59 62 A S H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 110.9 46.2 -58.2 -42.1 5.9 -12.8 -33.8 60 63 A T H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 114.0 47.5 -63.0 -44.5 5.0 -15.6 -36.3 61 64 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 113.9 48.7 -66.8 -39.9 2.4 -17.0 -33.8 62 65 A L H X S+ 0 0 18 -4,-3.5 4,-3.0 2,-0.2 5,-0.2 0.945 109.6 49.2 -61.2 -55.0 1.0 -13.5 -33.2 63 66 A R H X S+ 0 0 147 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.932 115.5 45.0 -51.4 -49.6 0.6 -12.5 -36.8 64 67 A L H X S+ 0 0 87 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.858 113.5 48.3 -67.9 -38.5 -1.2 -15.8 -37.7 65 68 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.913 112.6 50.4 -66.6 -40.4 -3.5 -15.7 -34.6 66 69 A R H X S+ 0 0 130 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.873 111.3 46.8 -62.1 -42.3 -4.3 -12.0 -35.5 67 70 A K H >X S+ 0 0 112 -4,-2.2 4,-1.8 -5,-0.2 3,-1.1 0.919 109.7 54.3 -65.9 -44.2 -5.1 -12.9 -39.1 68 71 A S H 3X S+ 0 0 32 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.859 102.6 60.0 -53.1 -39.0 -7.2 -15.8 -37.8 69 72 A G H 3< S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.751 107.9 43.0 -62.7 -27.3 -9.0 -13.2 -35.7 70 73 A E H << S+ 0 0 139 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.849 122.9 34.5 -78.9 -39.1 -10.1 -11.2 -38.9 71 74 A L H < S+ 0 0 128 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.647 110.4 56.6 -99.1 -19.5 -11.1 -14.2 -41.0 72 75 A V < - 0 0 74 -4,-2.0 2,-0.2 -5,-0.2 -1,-0.1 -0.954 68.1-142.0-124.0 122.8 -12.6 -16.8 -38.7 73 76 A P - 0 0 116 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.552 19.6-132.0 -78.0 148.4 -15.5 -16.3 -36.3 74 77 A V + 0 0 26 -2,-0.2 2,-0.3 -5,-0.1 38,-0.2 -0.810 54.3 93.5 -97.4 143.6 -15.2 -18.0 -32.9 75 78 A G S > S- 0 0 26 -2,-0.4 4,-1.0 36,-0.1 38,-0.0 -0.971 71.3 -15.3 167.6-156.3 -18.2 -20.0 -31.7 76 79 A R T 4 S+ 0 0 68 -2,-0.3 -2,-0.0 1,-0.2 37,-0.0 0.740 111.1 42.5 -54.1 -50.6 -20.0 -23.3 -31.4 77 80 A G T 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.985 125.1 26.7 -70.6 -59.1 -18.6 -25.9 -33.8 78 81 A G T 4 S- 0 0 71 1,-0.1 2,-1.9 0, 0.0 -1,-0.2 0.540 92.6-152.3 -78.4 -11.0 -14.9 -25.5 -33.7 79 82 A E < + 0 0 14 -4,-1.0 2,-0.3 2,-0.1 -1,-0.1 -0.207 62.7 35.0 76.1 -45.9 -15.2 -24.2 -30.2 80 83 A R - 0 0 40 -2,-1.9 2,-1.8 2,-0.1 27,-0.1 -0.995 69.6-126.8-145.2 140.3 -12.0 -22.0 -30.1 81 84 A R + 0 0 10 -2,-0.3 25,-2.0 25,-0.3 2,-0.4 -0.606 62.6 148.7 -80.8 74.6 -9.9 -19.8 -32.3 82 85 A A E -G 105 0B 31 -2,-1.8 2,-0.6 23,-0.2 23,-0.3 -0.952 39.6-155.9-121.5 128.1 -6.9 -21.9 -31.3 83 86 A L E -G 104 0B 39 21,-3.4 21,-2.4 -2,-0.4 2,-0.4 -0.908 16.9-148.3-107.7 116.7 -3.8 -22.6 -33.4 84 87 A G E -G 103 0B 26 -2,-0.6 2,-0.4 19,-0.2 19,-0.3 -0.726 15.2-122.7 -93.0 132.2 -2.0 -25.8 -32.3 85 88 A L - 0 0 4 17,-3.4 2,-0.6 -2,-0.4 17,-0.4 -0.592 30.9-153.8 -72.6 124.0 1.8 -26.2 -32.7 86 89 A A - 0 0 45 -2,-0.4 10,-0.2 8,-0.1 8,-0.1 -0.882 11.6-128.7-109.4 116.6 2.3 -29.2 -34.9 87 90 A N > - 0 0 3 8,-2.8 3,-2.3 -2,-0.6 5,-0.4 -0.395 11.8-140.0 -62.6 124.9 5.5 -31.2 -34.6 88 91 A P T 3 S+ 0 0 84 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.745 102.8 56.6 -56.8 -22.5 7.0 -31.7 -38.1 89 92 A G T 3 S+ 0 0 28 1,-0.2 -2,-0.1 -37,-0.2 -38,-0.0 0.530 88.3 78.1 -85.2 -5.9 7.9 -35.2 -37.0 90 93 A L S X S- 0 0 19 -3,-2.3 3,-2.1 5,-0.2 -1,-0.2 -0.094 101.8-111.5-107.0 33.9 4.3 -36.3 -36.0 91 94 A G T 3 S- 0 0 72 -3,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.717 76.5 -46.2 53.8 37.6 2.8 -37.0 -39.5 92 95 A G T 3 S+ 0 0 81 -5,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.431 98.7 139.1 87.5 -2.2 0.3 -34.1 -39.8 93 96 A N < - 0 0 70 -3,-2.1 2,-1.7 -6,-0.2 -1,-0.3 -0.536 63.3-121.8 -73.7 143.2 -1.1 -34.5 -36.3 94 97 A A S S+ 0 0 48 -2,-0.2 2,-0.5 -8,-0.1 8,-0.1 -0.224 73.2 124.0 -78.9 47.1 -1.9 -31.3 -34.3 95 98 A Y - 0 0 15 -2,-1.7 -8,-2.8 -8,-0.2 6,-0.2 -0.946 52.6-161.7-114.2 126.2 0.5 -32.5 -31.5 96 99 A I S S- 0 0 0 4,-1.9 5,-0.2 -2,-0.5 -1,-0.1 0.816 89.9 -7.6 -73.3 -26.6 3.5 -30.5 -30.3 97 100 A S S S- 0 0 0 3,-1.3 3,-0.3 -3,-0.1 -1,-0.2 -0.897 92.4 -84.6-154.0 170.0 4.7 -33.8 -28.8 98 101 A P S S+ 0 0 44 0, 0.0 82,-0.2 0, 0.0 3,-0.1 0.691 127.0 31.7 -59.8 -17.0 3.2 -37.4 -28.5 99 102 A T S S+ 0 0 13 77,-0.2 78,-1.7 1,-0.1 2,-0.4 0.673 111.9 60.3-109.2 -22.3 1.4 -36.4 -25.3 100 103 A M - 0 0 0 -3,-0.3 -4,-1.9 76,-0.2 -3,-1.3 -0.917 51.8-151.8-133.3 133.1 0.6 -32.7 -25.5 101 104 A W E - H 0 173B 45 72,-2.1 72,-2.1 -2,-0.4 2,-0.4 -0.861 21.3-178.3 -85.1 130.4 -1.2 -30.0 -27.4 102 105 A A E + H 0 172B 0 -2,-0.5 -17,-3.4 -17,-0.4 2,-0.3 -1.000 18.8 153.2-126.6 130.7 0.5 -26.6 -27.1 103 106 A G E -GH 84 171B 0 68,-2.1 68,-2.2 -2,-0.4 2,-0.4 -0.973 43.1-116.6-156.0 159.3 -1.3 -23.8 -28.9 104 107 A I E -GH 83 170B 0 -21,-2.4 -21,-3.4 -2,-0.3 2,-0.4 -0.883 27.6-165.3-100.6 135.6 -2.0 -20.1 -29.2 105 108 A Q E -GH 82 169B 2 64,-2.7 64,-1.7 -2,-0.4 2,-0.4 -0.965 0.7-163.9-120.5 143.0 -5.6 -18.9 -28.7 106 109 A Y E - H 0 168B 31 -25,-2.0 2,-0.5 -2,-0.4 -25,-0.3 -0.991 5.3-172.5-128.5 126.7 -6.9 -15.5 -29.7 107 110 A L E - H 0 167B 0 60,-2.3 60,-2.1 -2,-0.4 3,-0.1 -0.985 16.5-150.5-120.7 117.2 -10.2 -13.9 -28.5 108 111 A G > - 0 0 5 -2,-0.5 3,-1.7 58,-0.2 53,-0.2 -0.162 45.7 -47.2 -75.1 173.6 -11.1 -10.6 -30.1 109 112 A P T 3 S- 0 0 59 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.134 120.4 -10.1 -41.2 123.2 -13.1 -7.7 -28.5 110 113 A R T 3 S+ 0 0 139 53,-1.2 2,-0.2 51,-0.6 52,-0.1 0.628 94.7 148.7 66.5 12.5 -16.3 -8.8 -26.7 111 114 A E < - 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