==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAY-09 3HJS . COMPND 2 MOLECULE: CATECHOL 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS OPACUS; . AUTHOR I.MATERA,M.FERRARONI,F.BRIGANTI,A.SCOZZAFAVA . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.1 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 0 0 2 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 25 A A 0 0 162 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.8 13.1 -5.4 37.0 2 26 A T - 0 0 136 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.952 360.0-167.6-139.5 148.1 14.8 -3.0 39.5 3 27 A A - 0 0 74 -2,-0.3 2,-0.7 2,-0.1 0, 0.0 -0.969 28.8-126.9-136.2 159.2 15.1 0.8 39.8 4 28 A D + 0 0 173 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.488 56.8 144.8 -99.8 57.1 17.2 3.2 41.9 5 29 A T - 0 0 68 -2,-0.7 -2,-0.1 4,-0.0 0, 0.0 -0.880 42.0-137.4-103.3 130.5 14.2 5.2 43.3 6 30 A S >> - 0 0 54 -2,-0.5 4,-2.9 1,-0.1 3,-0.6 -0.471 23.4-115.1 -80.5 150.9 14.3 6.6 46.8 7 31 A P H 3> S+ 0 0 112 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.845 118.4 56.3 -55.2 -34.7 11.2 6.4 49.1 8 32 A E H 3> S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.885 109.9 44.2 -60.2 -43.1 11.1 10.2 49.0 9 33 A R H <> S+ 0 0 151 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.944 115.5 46.4 -72.7 -47.8 10.8 10.1 45.2 10 34 A L H X S+ 0 0 104 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.922 110.2 55.2 -57.5 -41.6 8.3 7.3 45.1 11 35 A A H X S+ 0 0 60 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.924 111.0 44.1 -58.7 -43.5 6.3 9.0 47.8 12 36 A A H X S+ 0 0 54 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.890 114.5 48.4 -73.2 -37.7 6.0 12.2 45.7 13 37 A I H X S+ 0 0 79 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.956 113.9 48.1 -63.0 -46.2 5.2 10.3 42.5 14 38 A A H X S+ 0 0 37 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.874 109.8 51.1 -62.9 -41.8 2.6 8.3 44.3 15 39 A K H X S+ 0 0 168 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.932 114.0 44.5 -62.7 -44.8 1.0 11.4 45.9 16 40 A D H X S+ 0 0 122 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.928 115.1 47.5 -63.2 -46.3 0.8 13.1 42.6 17 41 A A H X S+ 0 0 51 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.942 116.8 41.8 -63.2 -50.6 -0.5 10.1 40.7 18 42 A L H X S+ 0 0 100 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.909 114.3 51.1 -67.9 -39.6 -3.2 9.2 43.3 19 43 A G H X S+ 0 0 32 -4,-2.5 4,-3.3 -5,-0.3 -2,-0.2 0.919 110.0 52.0 -58.5 -41.7 -4.2 12.8 43.8 20 44 A A H X S+ 0 0 51 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.928 112.0 44.5 -58.6 -48.6 -4.6 13.1 40.0 21 45 A L H X S+ 0 0 105 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 113.9 49.7 -64.7 -45.8 -6.8 10.0 39.7 22 46 A N H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 108.8 53.2 -58.6 -41.8 -8.8 11.2 42.7 23 47 A D H X S+ 0 0 109 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.863 108.4 50.2 -59.1 -38.4 -9.2 14.7 41.1 24 48 A V H X S+ 0 0 77 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.891 108.5 52.7 -65.6 -42.3 -10.5 13.0 37.9 25 49 A I H X>S+ 0 0 67 -4,-2.3 5,-2.0 1,-0.2 4,-0.8 0.907 113.8 43.1 -56.2 -45.5 -13.0 11.0 40.0 26 50 A L H <5S+ 0 0 135 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.1 53.4 -70.0 -39.0 -14.2 14.2 41.6 27 51 A K H <5S+ 0 0 169 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.919 119.4 32.9 -63.4 -44.5 -14.3 16.2 38.3 28 52 A H H <5S- 0 0 128 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.497 104.2-123.6 -95.5 -5.6 -16.4 13.7 36.5 29 53 A G T <5 - 0 0 48 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.934 31.1-156.2 63.1 43.1 -18.5 12.5 39.5 30 54 A V < - 0 0 56 -5,-2.0 2,-0.2 -6,-0.2 -1,-0.1 -0.308 12.5-141.8 -53.4 133.2 -17.5 8.9 38.9 31 55 A T > - 0 0 65 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.518 20.3-103.8-101.1 164.6 -20.3 6.8 40.5 32 56 A Y H > S+ 0 0 160 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.895 120.6 52.9 -52.6 -48.3 -20.2 3.5 42.5 33 57 A P H > S+ 0 0 81 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.910 111.0 47.5 -58.1 -35.6 -21.4 1.4 39.6 34 58 A E H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 110.0 53.4 -69.0 -38.6 -18.5 2.9 37.4 35 59 A Y H X S+ 0 0 107 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.915 109.0 49.5 -58.3 -43.5 -16.0 2.2 40.3 36 60 A R H X S+ 0 0 154 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.906 111.0 48.3 -65.7 -42.0 -17.2 -1.5 40.3 37 61 A V H X S+ 0 0 103 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.931 111.2 51.0 -63.4 -41.4 -16.8 -1.8 36.5 38 62 A F H X S+ 0 0 105 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.907 109.2 51.7 -64.9 -42.0 -13.3 -0.2 36.7 39 63 A K H X S+ 0 0 106 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.935 112.2 44.9 -59.5 -47.5 -12.3 -2.7 39.5 40 64 A Q H X S+ 0 0 97 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.898 110.5 54.2 -68.6 -37.5 -13.4 -5.7 37.4 41 65 A W H X S+ 0 0 30 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.876 106.3 51.8 -61.4 -42.5 -11.7 -4.3 34.3 42 66 A L H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.907 111.1 49.1 -61.6 -44.4 -8.3 -4.0 36.1 43 67 A I H X S+ 0 0 76 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.931 110.1 50.1 -53.4 -48.0 -8.7 -7.6 37.2 44 68 A D H X S+ 0 0 46 -4,-2.4 4,-2.0 1,-0.2 6,-0.2 0.856 104.2 59.1 -65.2 -35.4 -9.5 -8.7 33.7 45 69 A V H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-0.4 0.946 111.2 41.6 -56.5 -45.1 -6.4 -6.8 32.3 46 70 A G H ><5S+ 0 0 38 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.912 113.5 52.0 -70.6 -42.2 -4.2 -9.0 34.6 47 71 A E H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.8 48.6 -64.6 -26.4 -6.2 -12.2 33.9 48 72 A G T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.336 111.4-121.2 -97.2 8.8 -5.8 -11.6 30.2 49 73 A G T < 5S+ 0 0 60 -3,-1.5 4,-0.3 1,-0.1 -3,-0.2 0.813 70.6 135.8 54.7 34.0 -2.0 -10.9 30.5 50 74 A E >< + 0 0 14 -5,-2.8 4,-3.0 -6,-0.2 5,-0.3 0.292 28.6 100.6 -94.8 5.1 -2.7 -7.4 28.9 51 75 A W H > S+ 0 0 93 -6,-0.4 4,-2.3 2,-0.2 5,-0.3 0.949 84.6 47.2 -58.0 -48.6 -0.5 -5.2 31.2 52 76 A P H > S+ 0 0 80 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.960 116.9 45.5 -59.3 -40.4 2.4 -4.9 28.8 53 77 A L H > S+ 0 0 18 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.966 114.4 45.1 -62.9 -54.6 0.0 -4.1 26.0 54 78 A F H X S+ 0 0 26 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.906 117.3 44.9 -60.3 -43.0 -2.2 -1.6 27.8 55 79 A L H X>S+ 0 0 73 -4,-2.3 4,-2.5 -5,-0.3 5,-2.5 0.920 112.3 50.5 -70.1 -41.8 0.8 0.3 29.3 56 80 A D H <5S+ 0 0 32 -4,-2.8 5,-0.3 -5,-0.3 -1,-0.2 0.851 116.7 42.9 -65.7 -31.4 2.8 0.3 26.1 57 81 A V H <5S+ 0 0 7 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.931 129.6 21.7 -74.2 -48.4 -0.2 1.7 24.2 58 82 A F H <5S+ 0 0 54 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.666 134.6 22.2-102.2 -13.7 -1.4 4.3 26.8 59 83 A I T >X5S+ 0 0 85 -4,-2.5 3,-1.8 -5,-0.3 4,-1.0 0.743 98.9 76.1-123.7 -43.7 1.5 5.1 29.0 60 84 A E H 3> S+ 0 0 51 -5,-0.3 4,-1.9 165,-0.3 -1,-0.3 0.867 100.1 51.3 -57.0 -31.3 4.9 7.4 25.0 62 86 A S H <> S+ 0 0 59 -3,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.887 108.3 51.6 -77.3 -32.4 5.2 9.7 28.1 63 87 A V H X S+ 0 0 95 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.879 111.4 46.6 -69.7 -35.5 8.2 7.8 29.4 64 88 A E H X S+ 0 0 18 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.878 106.4 59.1 -72.6 -34.7 9.9 8.1 26.0 65 89 A E H X S+ 0 0 107 -4,-1.9 4,-0.9 -5,-0.3 -2,-0.2 0.898 106.0 49.7 -58.6 -40.3 9.0 11.8 26.0 66 90 A V H >X S+ 0 0 88 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.926 113.4 44.2 -56.6 -53.2 11.0 12.1 29.3 67 91 A L H >< S+ 0 0 81 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.871 105.8 64.1 -61.3 -35.0 13.9 10.3 27.7 68 92 A A H >< S+ 0 0 34 -4,-3.2 3,-0.7 1,-0.3 -1,-0.2 0.721 92.3 62.8 -62.7 -26.7 13.5 12.4 24.6 69 93 A R H << S+ 0 0 196 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.748 103.2 50.1 -65.9 -28.2 14.4 15.6 26.6 70 94 A S T << S+ 0 0 81 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.2 0.462 100.2 79.8 -88.8 -3.5 17.9 14.2 27.3 71 95 A R < + 0 0 29 -3,-0.7 5,-0.1 -4,-0.3 182,-0.0 -0.886 41.9 178.3-119.4 137.6 18.8 13.3 23.7 72 96 A K + 0 0 77 -2,-0.4 -1,-0.1 3,-0.0 3,-0.1 0.495 66.1 80.5-104.8 -12.2 20.0 15.3 20.7 73 97 A G S S- 0 0 7 1,-0.2 180,-0.2 178,-0.0 3,-0.1 0.222 97.2 -23.4 -80.6-153.9 20.3 12.4 18.3 74 98 A T S S- 0 0 9 178,-2.4 -1,-0.2 1,-0.1 180,-0.1 -0.201 80.8 -96.9 -55.6 139.2 17.6 10.5 16.2 75 99 A M - 0 0 72 157,-0.1 137,-0.2 -3,-0.1 2,-0.1 -0.325 43.0-143.1 -56.8 136.4 14.1 10.9 17.6 76 100 A G - 0 0 2 -12,-0.1 135,-0.3 135,-0.1 2,-0.3 -0.432 16.9-171.7 -88.8 173.1 13.2 7.9 19.7 77 101 A S - 0 0 3 133,-2.1 133,-0.1 -2,-0.1 152,-0.1 -0.928 38.2 -60.8-150.2 179.6 9.8 6.2 20.1 78 102 A I - 0 0 4 -2,-0.3 -17,-0.1 150,-0.2 -22,-0.0 -0.274 31.3-141.5 -64.7 154.8 8.2 3.5 22.2 79 103 A E - 0 0 69 1,-0.1 3,-0.3 131,-0.1 -1,-0.1 0.823 37.3-156.5 -75.0 -36.4 9.6 -0.1 22.2 80 104 A G > - 0 0 4 1,-0.2 3,-0.5 -24,-0.1 -1,-0.1 -0.197 35.5 -69.7 70.3-177.4 6.1 -1.5 22.4 81 105 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -28,-0.1 0.516 115.9 71.6 -93.7 1.9 5.4 -5.1 23.7 82 106 A Y T 3 + 0 0 24 -3,-0.3 2,-0.2 48,-0.1 -2,-0.1 0.277 57.3 125.8-108.6 13.1 7.0 -7.1 20.9 83 107 A Y < - 0 0 45 -3,-0.5 2,-0.4 47,-0.0 -4,-0.0 -0.531 36.7-167.4 -71.3 137.8 10.8 -6.7 21.2 84 108 A I > - 0 0 27 -2,-0.2 3,-0.5 0, 0.0 -2,-0.0 -0.989 15.6-132.5-125.6 125.5 12.8 -10.0 21.4 85 109 A E T 3 S+ 0 0 145 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.244 79.4 25.3 -68.9 158.8 16.5 -9.9 22.4 86 110 A N T 3 S+ 0 0 135 1,-0.2 -1,-0.2 66,-0.0 3,-0.1 0.797 71.5 176.7 60.1 33.7 19.3 -11.8 20.6 87 111 A S < - 0 0 5 -3,-0.5 -1,-0.2 65,-0.1 65,-0.1 -0.406 48.5 -76.1 -62.2 147.1 17.6 -12.0 17.1 88 112 A P - 0 0 54 0, 0.0 65,-2.9 0, 0.0 -1,-0.1 -0.114 51.7-112.5 -53.9 140.6 20.1 -13.7 14.6 89 113 A E E -a 153 0A 121 63,-0.2 65,-0.2 -3,-0.1 39,-0.0 -0.380 33.2-167.8 -75.0 146.1 22.9 -11.5 13.4 90 114 A L E -a 154 0A 30 63,-2.8 65,-3.2 -2,-0.1 4,-0.1 -0.952 25.9-100.8-132.3 155.9 23.0 -10.5 9.7 91 115 A P - 0 0 88 0, 0.0 65,-0.1 0, 0.0 66,-0.1 -0.240 45.5 -97.1 -72.5 166.1 25.7 -8.9 7.5 92 116 A S S S+ 0 0 33 63,-0.2 71,-2.8 1,-0.2 2,-0.5 0.672 120.5 45.8 -67.6 -20.1 25.4 -5.2 6.8 93 117 A K E S+e 163 0B 139 69,-0.2 2,-0.3 63,-0.1 71,-0.2 -0.990 90.9 126.8-118.3 114.5 23.8 -5.9 3.4 94 118 A C E -e 164 0B 14 69,-2.0 71,-2.4 -2,-0.5 2,-0.4 -0.929 55.4-117.1-157.6 170.6 21.1 -8.5 4.1 95 119 A T E -e 165 0B 79 -2,-0.3 71,-0.2 69,-0.2 3,-0.1 -0.987 37.4-116.1-121.9 135.3 17.5 -9.6 3.8 96 120 A L - 0 0 2 69,-2.5 56,-0.1 -2,-0.4 2,-0.1 -0.362 41.5 -92.6 -66.8 147.6 15.4 -10.3 6.9 97 121 A P + 0 0 44 0, 0.0 53,-3.0 0, 0.0 2,-0.3 -0.399 62.4 156.9 -57.8 133.5 14.2 -13.8 7.5 98 122 A M - 0 0 39 51,-0.2 2,-0.1 52,-0.1 51,-0.0 -0.988 36.5-104.6-156.0 166.7 10.8 -14.3 6.0 99 123 A R > - 0 0 30 -2,-0.3 4,-1.3 1,-0.1 46,-0.0 -0.365 37.2-104.0 -86.9 169.2 8.4 -16.9 4.7 100 124 A E T >4 S+ 0 0 165 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.908 125.2 55.6 -52.9 -46.4 7.4 -17.8 1.2 101 125 A E G >4 S+ 0 0 118 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.879 104.4 55.0 -53.8 -39.5 4.1 -15.9 1.9 102 126 A D G >4 S+ 0 0 3 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.850 93.9 67.3 -68.2 -28.7 6.2 -12.9 2.8 103 127 A E G << S+ 0 0 135 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.585 88.4 68.1 -68.3 -7.8 8.0 -12.9 -0.6 104 128 A K G < S+ 0 0 138 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.3 0.481 84.9 91.9 -84.8 -6.1 4.7 -11.9 -2.3 105 129 A I S < S- 0 0 36 -3,-1.8 -3,-0.0 -4,-0.1 0, 0.0 -0.655 94.1 -93.1 -93.6 149.0 4.8 -8.5 -0.7 106 130 A T - 0 0 68 -2,-0.3 62,-2.1 62,-0.1 138,-0.1 -0.425 51.3-120.8 -55.5 123.3 6.4 -5.4 -2.2 107 131 A P E -F 167 0B 42 0, 0.0 138,-2.3 0, 0.0 2,-0.4 -0.300 17.9-151.7 -66.7 155.1 10.0 -5.2 -0.9 108 132 A L E -Fg 166 245B 0 58,-2.2 58,-3.3 136,-0.2 2,-0.6 -0.999 5.0-161.4-126.4 128.9 11.3 -2.4 1.1 109 133 A V E -Fg 165 246B 3 136,-2.9 138,-2.3 -2,-0.4 2,-0.6 -0.961 9.6-166.3-115.7 113.8 15.1 -1.7 0.9 110 134 A F E +Fg 164 247B 0 54,-3.1 54,-3.5 -2,-0.6 2,-0.3 -0.913 11.2 176.0-114.1 117.7 16.2 0.4 3.8 111 135 A S E +Fg 163 248B 27 136,-2.7 138,-3.0 -2,-0.6 2,-0.3 -0.854 15.9 105.4-119.8 155.7 19.7 2.0 3.6 112 136 A G E -F 162 0B 10 50,-1.9 50,-2.5 -2,-0.3 2,-0.3 -0.993 49.8 -93.4 166.8-162.8 21.7 4.4 5.7 113 137 A Q E -F 161 0B 27 -2,-0.3 138,-1.7 48,-0.2 2,-0.6 -0.996 21.7-128.0-144.8 139.8 24.5 4.9 8.2 114 138 A V E +i 251 0C 0 46,-2.6 8,-2.5 -2,-0.3 2,-0.2 -0.827 42.7 171.1 -86.6 125.8 24.8 5.0 11.9 115 139 A T E -iJ 252 121C 11 136,-4.2 138,-2.9 -2,-0.6 6,-0.2 -0.805 30.9-115.4-128.1 169.7 26.6 8.3 12.9 116 140 A D E > -i 253 0C 32 4,-1.8 3,-1.7 -2,-0.2 138,-0.1 -0.297 51.7 -82.9 -88.6-173.1 27.5 10.3 16.0 117 141 A L T 3 S+ 0 0 78 136,-0.5 137,-0.1 1,-0.3 135,-0.0 0.754 130.6 53.4 -65.2 -23.7 26.3 13.9 16.7 118 142 A D T 3 S- 0 0 146 2,-0.1 -1,-0.3 0, 0.0 134,-0.0 0.518 122.4-104.1 -87.7 -3.9 28.9 15.4 14.4 119 143 A G S < S+ 0 0 46 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.472 70.0 149.0 94.4 6.0 27.9 13.1 11.5 120 144 A N - 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