==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DIOXYGENASE 29-DEC-98 1B4U . COMPND 2 MOLECULE: PROTOCATECHUATE 4,5-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR K.SUGIMOTO,T.SENDA,Y.MITSUI . 860 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.5 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 . 0 0.0 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-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 . 50 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 1 8 1 7 7 2 2 0 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 2 2 2 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 2 2 2 0 0 0 0 2 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 2 0 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 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 8 A I 0 0 196 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -47.1 30.3 59.2 25.4 2 9 A D > - 0 0 84 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.795 360.0-167.7 -88.6 107.2 28.0 56.3 24.3 3 10 A V H > S+ 0 0 2 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.832 86.4 54.1 -57.9 -37.8 30.2 53.4 23.3 4 11 A H H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 111.3 42.1 -67.0 -50.4 27.3 51.5 21.8 5 12 A A H > S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.871 111.7 57.4 -59.8 -42.0 26.2 54.4 19.5 6 13 A Y H < S+ 0 0 30 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.926 112.0 41.4 -58.9 -40.5 29.8 55.0 18.7 7 14 A L H >< S+ 0 0 42 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.894 107.1 62.3 -75.5 -29.8 30.2 51.4 17.4 8 15 A A H >< S+ 0 0 57 -4,-2.3 3,-0.9 1,-0.3 4,-0.2 0.792 92.4 62.2 -69.8 -31.1 26.9 51.2 15.6 9 16 A E G >< S+ 0 0 83 -4,-1.3 3,-1.8 -3,-0.3 -1,-0.3 0.840 91.7 69.0 -65.7 -26.9 27.6 54.0 13.1 10 17 A F G X S+ 0 0 6 -3,-1.2 3,-1.3 -4,-0.5 -1,-0.2 0.769 88.7 65.2 -59.4 -25.7 30.5 51.9 11.7 11 18 A D G < S+ 0 0 117 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.621 90.7 63.3 -70.6 -18.2 27.9 49.4 10.3 12 19 A D G < S+ 0 0 27 -3,-1.8 116,-2.6 -4,-0.2 -1,-0.2 0.422 78.4 101.8 -87.6 2.4 26.5 52.0 7.8 13 20 A I S X S- 0 0 4 -3,-1.3 3,-1.1 114,-0.2 114,-0.2 -0.751 74.9-125.0 -90.4 122.2 29.8 52.3 5.9 14 21 A P T 3 S- 0 0 23 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.154 80.4 -2.6 -64.1 138.9 29.7 50.3 2.7 15 22 A G T 3 S+ 0 0 31 1,-0.2 318,-1.2 317,-0.1 2,-0.4 0.727 107.4 109.3 71.6 20.2 32.3 47.6 1.8 16 23 A T < - 0 0 13 -3,-1.1 2,-0.5 -6,-0.1 -1,-0.2 -0.999 49.5-165.2-138.7 134.5 34.2 48.3 5.0 17 24 A R - 0 0 35 -2,-0.4 2,-0.3 -3,-0.1 -6,-0.1 -0.967 21.0-146.0-115.9 105.0 34.7 46.3 8.2 18 25 A V - 0 0 6 -2,-0.5 2,-2.4 -8,-0.1 5,-0.2 -0.545 23.1-114.8 -76.1 132.9 36.2 48.5 11.0 19 26 A F + 0 0 13 -2,-0.3 270,-2.3 268,-0.2 -1,-0.1 -0.410 54.4 163.7 -71.3 74.8 38.5 46.7 13.4 20 27 A T > - 0 0 16 -2,-2.4 4,-2.3 268,-0.2 3,-0.2 -0.358 54.6 -92.2 -85.6 163.3 36.4 46.9 16.5 21 28 A A H > S+ 0 0 6 268,-0.3 4,-2.5 2,-0.2 5,-0.3 0.836 124.1 55.8 -36.4 -50.7 36.8 44.9 19.7 22 29 A Q H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 111.4 43.8 -62.5 -40.5 34.4 42.2 18.6 23 30 A R H > S+ 0 0 51 -5,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 111.2 55.3 -71.0 -33.6 36.4 41.6 15.4 24 31 A A H < S+ 0 0 0 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.904 109.0 45.7 -69.4 -38.3 39.7 41.7 17.3 25 32 A R H >< S+ 0 0 95 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.955 114.2 50.1 -72.7 -37.3 38.6 38.9 19.7 26 33 A K H 3< S+ 0 0 121 -4,-1.9 3,-0.3 -5,-0.3 4,-0.3 0.890 116.4 39.8 -60.8 -39.3 37.3 36.9 16.8 27 34 A G T 3X S+ 0 0 0 -4,-2.3 4,-3.3 52,-0.2 5,-0.3 0.313 80.7 114.2 -96.6 7.5 40.5 37.2 14.8 28 35 A Y H <> S+ 0 0 57 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.867 81.6 38.1 -51.9 -49.9 43.0 36.9 17.7 29 36 A N H > S+ 0 0 65 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.943 117.3 51.6 -69.2 -39.5 44.6 33.5 16.6 30 37 A L H > S+ 0 0 5 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.936 112.4 45.2 -64.3 -41.4 44.5 34.4 12.9 31 38 A N H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.892 113.0 49.6 -71.9 -32.6 46.2 37.8 13.5 32 39 A Q H X S+ 0 0 20 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.866 107.5 56.3 -73.8 -34.7 48.9 36.3 15.8 33 40 A F H >X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 3,-0.6 0.959 108.0 47.3 -51.0 -56.6 49.5 33.6 13.1 34 41 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.931 106.4 58.7 -58.2 -36.8 50.2 36.4 10.6 35 42 A M H >< S+ 0 0 21 -4,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.815 93.1 66.1 -61.7 -36.8 52.5 38.1 13.1 36 43 A S H X< S+ 0 0 14 -4,-1.4 3,-1.7 -3,-0.6 6,-0.3 0.792 86.6 73.4 -59.6 -18.8 54.8 35.0 13.4 37 44 A L T << S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.541 72.7 81.2 -79.7 -5.7 55.7 35.5 9.7 38 45 A M T < S+ 0 0 29 -3,-1.8 2,-0.5 -4,-0.2 181,-0.3 0.666 80.9 76.8 -56.3 -27.4 57.9 38.5 10.7 39 46 A K S <> S- 0 0 104 -3,-1.7 4,-1.6 -4,-0.2 3,-0.5 -0.855 79.9-144.4 -90.0 126.5 60.5 35.9 11.6 40 47 A A H > S+ 0 0 37 -2,-0.5 4,-2.6 1,-0.2 5,-0.3 0.906 99.4 58.9 -59.6 -40.0 62.3 34.4 8.5 41 48 A E H > S+ 0 0 124 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.881 108.7 46.2 -54.0 -41.4 62.6 31.0 10.1 42 49 A N H > S+ 0 0 27 -3,-0.5 4,-2.6 -6,-0.3 -1,-0.3 0.801 109.5 54.7 -71.5 -32.6 58.8 31.0 10.4 43 50 A R H X S+ 0 0 23 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.904 110.1 45.3 -65.4 -45.3 58.3 32.2 6.9 44 51 A E H X S+ 0 0 121 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.889 114.1 48.0 -70.1 -32.0 60.3 29.4 5.4 45 52 A R H X S+ 0 0 117 -4,-1.6 4,-1.6 -5,-0.3 3,-0.3 0.972 112.3 50.4 -72.5 -39.0 58.7 26.7 7.5 46 53 A F H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.3 7,-0.2 0.902 111.5 46.9 -64.2 -44.4 55.2 28.0 6.7 47 54 A K H 3< S+ 0 0 104 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.816 104.7 61.8 -69.8 -28.2 56.0 28.0 2.9 48 55 A A H 3< S- 0 0 84 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.859 132.5 -5.0 -69.9 -28.8 57.4 24.5 3.2 49 56 A D S+ 0 0 53 -3,-0.4 4,-3.7 1,-0.2 5,-0.2 0.935 83.1 52.6 -55.7 -54.7 51.2 25.7 4.9 51 58 A S H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.960 110.9 46.5 -56.8 -38.0 48.6 23.3 6.3 52 59 A A H > S+ 0 0 47 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.911 115.1 47.5 -73.7 -37.8 50.9 21.8 8.9 53 60 A Y H >< S+ 0 0 4 -4,-2.2 3,-1.5 -7,-0.2 -1,-0.2 0.957 110.4 51.9 -63.9 -47.6 52.0 25.3 10.0 54 61 A L H ><>S+ 0 0 2 -4,-3.7 3,-2.3 -5,-0.3 5,-0.5 0.873 98.4 66.9 -56.2 -33.7 48.5 26.5 10.1 55 62 A D H ><5S+ 0 0 99 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.718 90.8 63.6 -66.8 -16.1 47.5 23.6 12.4 56 63 A E T <<5S+ 0 0 99 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.489 96.2 59.7 -76.6 -2.8 49.6 24.9 15.2 57 64 A W T < 5S- 0 0 65 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.373 97.7-128.7-110.0 -1.9 47.5 28.1 15.5 58 65 A N T < 5 + 0 0 129 -3,-0.6 -3,-0.1 -4,-0.3 -28,-0.1 0.928 42.5 172.5 64.7 42.7 44.1 26.7 16.3 59 66 A L < - 0 0 28 -5,-0.5 -1,-0.1 -30,-0.1 -32,-0.0 -0.511 38.3-104.8 -79.7 152.6 42.2 28.6 13.6 60 67 A T > - 0 0 73 18,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.351 37.6-106.4 -59.0 161.7 38.5 27.8 12.8 61 68 A P H > S+ 0 0 111 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.898 123.1 54.6 -62.9 -37.8 38.1 25.8 9.7 62 69 A A H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.954 110.0 47.1 -63.4 -34.2 36.8 29.0 7.9 63 70 A A H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.933 113.4 46.0 -75.2 -43.7 39.9 30.9 9.0 64 71 A K H X S+ 0 0 42 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.956 113.4 49.7 -63.4 -39.7 42.4 28.2 7.8 65 72 A A H X S+ 0 0 58 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.860 108.6 54.4 -70.1 -34.5 40.5 27.7 4.5 66 73 A A H X>S+ 0 0 5 -4,-2.0 5,-2.2 -5,-0.2 4,-0.5 0.937 110.2 46.4 -63.7 -43.9 40.6 31.5 4.1 67 74 A V H ><5S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.937 112.6 47.9 -60.7 -53.3 44.4 31.5 4.5 68 75 A L H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 115.8 45.3 -61.8 -37.1 45.0 28.5 2.2 69 76 A A H 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.504 105.0-132.3 -83.2 -4.5 42.8 30.1 -0.5 70 77 A R T <<5 + 0 0 57 -3,-1.5 2,-0.9 -4,-0.5 -3,-0.2 0.926 48.4 159.3 51.1 45.1 44.5 33.5 0.0 71 78 A D >< - 0 0 75 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.838 20.5-175.0-102.1 94.7 41.0 35.0 0.2 72 79 A Y H > S+ 0 0 8 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.877 82.1 55.5 -62.6 -39.7 41.7 38.3 2.0 73 80 A N H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 109.8 45.6 -60.1 -43.4 38.0 39.2 2.2 74 81 A A H > S+ 0 0 30 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.891 111.0 54.0 -66.5 -36.5 37.2 35.9 3.9 75 82 A M H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.5 0.900 108.5 48.6 -60.8 -41.4 40.2 36.4 6.2 76 83 A I H ><5S+ 0 0 8 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.913 105.5 58.7 -65.0 -37.4 38.8 39.8 7.3 77 84 A D H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 102.7 53.6 -57.6 -33.0 35.4 38.3 7.8 78 85 A E T 3<5S- 0 0 40 -4,-1.1 -1,-0.3 -3,-0.5 -48,-0.2 0.090 136.9 -83.5 -88.8 15.2 37.0 35.9 10.4 79 86 A G T < 5S+ 0 0 1 -3,-2.4 -52,-0.2 1,-0.3 -3,-0.2 0.585 78.7 154.1 101.0 8.3 38.5 38.9 12.3 80 87 A G < - 0 0 4 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.481 33.0-146.3 -69.2 146.6 41.6 39.3 10.2 81 88 A N >> - 0 0 12 -54,-0.2 4,-2.9 -2,-0.1 3,-1.3 -0.975 14.7-130.2-115.7 132.6 43.2 42.9 10.2 82 89 A V H 3> S+ 0 0 5 -2,-0.4 4,-1.3 1,-0.3 -1,-0.1 0.772 105.3 52.7 -53.2 -39.3 44.8 44.1 7.0 83 90 A Y H 34 S+ 0 0 7 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.792 113.6 40.8 -72.2 -33.1 48.0 45.2 8.8 84 91 A F H X4 S+ 0 0 5 -3,-1.3 3,-1.8 2,-0.1 4,-0.3 0.912 116.6 51.8 -69.4 -46.4 48.7 41.9 10.5 85 92 A L H >X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.3 3,-1.2 0.694 89.5 78.2 -62.7 -21.6 47.6 40.1 7.3 86 93 A S H 3X S+ 0 0 2 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.3 0.748 84.7 65.4 -59.0 -22.3 50.1 42.2 5.3 87 94 A K H <> S+ 0 0 0 -3,-1.8 4,-1.6 -4,-0.2 -1,-0.2 0.862 100.9 49.6 -64.2 -32.6 52.8 39.8 6.7 88 95 A L H <> S+ 0 0 0 -3,-1.2 4,-1.9 -4,-0.3 -2,-0.2 0.969 112.2 43.4 -74.0 -55.9 51.3 36.9 4.7 89 96 A F H <>S+ 0 0 1 -4,-1.5 5,-3.4 1,-0.2 4,-0.2 0.822 114.7 51.5 -65.4 -32.2 51.0 38.6 1.3 90 97 A S H ><5S+ 0 0 6 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.881 106.4 54.6 -62.7 -38.2 54.6 40.0 1.9 91 98 A T H 3<5S+ 0 0 6 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.862 108.7 49.0 -57.7 -42.9 55.7 36.4 2.7 92 99 A D T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.553 121.9-111.7 -73.0 -9.6 54.2 35.5 -0.7 93 100 A G T < 5S+ 0 0 42 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.756 70.7 138.9 84.0 27.5 56.1 38.4 -2.4 94 101 A K < - 0 0 82 -5,-3.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.815 48.0-123.8-109.3 154.6 52.9 40.5 -3.2 95 102 A S > - 0 0 62 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.290 23.8-113.0 -88.1 165.7 52.4 44.2 -2.9 96 103 A F H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 118.9 57.1 -62.9 -37.8 49.8 46.0 -0.8 97 104 A Q H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 106.6 48.3 -61.5 -48.4 48.3 47.2 -4.1 98 105 A F H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.966 114.0 46.9 -47.0 -55.8 47.9 43.6 -5.3 99 106 A A H X S+ 0 0 1 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.931 113.7 46.3 -57.1 -52.9 46.3 42.6 -2.0 100 107 A A H >< S+ 0 0 1 -4,-2.5 3,-1.1 2,-0.2 -1,-0.2 0.929 114.0 49.0 -56.9 -45.7 43.9 45.6 -1.9 101 108 A G H >X>S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.3 5,-0.9 0.891 102.2 62.8 -65.1 -30.9 42.9 45.0 -5.6 102 109 A S H 3<5S+ 0 0 51 -4,-2.8 3,-0.4 1,-0.3 -1,-0.3 0.731 99.9 55.8 -70.1 -18.7 42.3 41.3 -5.0 103 110 A M T <<5S+ 0 0 3 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.466 99.6 59.8 -85.7 0.5 39.5 42.3 -2.6 104 111 A T T <45S- 0 0 23 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.597 98.7-124.7-103.1 -8.9 37.6 44.4 -5.1 105 112 A G T <5S+ 0 0 75 -4,-0.5 2,-0.4 -3,-0.4 -3,-0.1 0.716 73.9 120.7 66.3 14.8 36.8 41.9 -7.8 106 113 A M S - 0 0 74 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.283 34.8-103.8 -67.0 167.0 41.3 42.5 -12.2 108 115 A Q H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.857 121.9 52.7 -57.0 -32.0 44.7 43.7 -11.2 109 116 A E H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 109.2 45.4 -77.3 -47.0 44.9 45.7 -14.4 110 117 A E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 112.3 52.1 -58.0 -43.8 41.6 47.5 -14.0 111 118 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.955 111.1 47.8 -64.6 -40.5 42.4 48.3 -10.3 112 119 A A H X S+ 0 0 33 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.868 113.6 47.4 -66.1 -36.8 45.8 49.8 -11.3 113 120 A Q H X S+ 0 0 102 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.842 108.4 55.0 -72.0 -41.1 44.1 51.9 -14.1 114 121 A M H <>S+ 0 0 49 -4,-2.3 5,-3.0 2,-0.2 -2,-0.2 0.923 109.6 47.2 -56.2 -45.7 41.4 53.0 -11.7 115 122 A M H ><5S+ 0 0 1 -4,-2.2 3,-2.5 3,-0.2 -2,-0.2 0.934 109.3 53.5 -64.7 -45.4 44.1 54.3 -9.3 116 123 A I H 3<5S+ 0 0 44 -4,-2.0 314,-0.6 1,-0.3 -1,-0.2 0.918 107.9 52.9 -54.1 -44.9 46.0 56.1 -12.1 117 124 A D T 3<5S- 0 0 100 -4,-2.2 -1,-0.3 312,-0.1 -2,-0.2 0.407 140.0 -72.9 -75.2 3.4 42.7 57.8 -13.1 118 125 A G T < 5S- 0 0 16 -3,-2.5 -3,-0.2 -4,-0.1 221,-0.2 0.358 71.2 -99.1 122.2 -9.7 42.1 59.2 -9.6 119 126 A G < - 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0 0 66 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.357 36.3-107.9 -68.5 158.2 79.7 47.3 35.3 493 68 C P H > S+ 0 0 118 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.909 122.9 50.8 -57.3 -39.1 82.4 45.8 37.5 494 69 C A H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 110.7 47.6 -63.9 -42.2 80.7 47.5 40.5 495 70 C A H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 112.6 49.5 -69.5 -39.1 77.3 46.1 39.6 496 71 C K H X S+ 0 0 50 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.916 111.4 48.3 -64.4 -48.2 78.7 42.6 39.1 497 72 C A H X S+ 0 0 55 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.875 108.3 54.6 -60.3 -43.5 80.5 42.7 42.5 498 73 C A H <>S+ 0 0 6 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.907 109.0 48.4 -57.6 -41.2 77.4 44.0 44.3 499 74 C V H ><5S+ 0 0 0 -4,-2.0 3,-2.1 3,-0.2 -2,-0.2 0.974 112.7 47.1 -63.7 -50.5 75.3 41.0 43.0 500 75 C L H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 116.3 44.6 -63.2 -29.4 78.0 38.4 44.0 501 76 C A T 3<5S- 0 0 71 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.408 106.2-133.0 -88.5 5.3 78.4 40.0 47.4 502 77 C R T < 5 + 0 0 52 -3,-2.1 2,-0.9 1,-0.2 -3,-0.2 0.863 47.9 160.0 37.8 50.0 74.6 40.2 47.6 503 78 C D >< - 0 0 79 -5,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.836 19.9-174.2 -97.9 99.4 74.9 43.8 48.8 504 79 C Y H > S+ 0 0 6 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.840 79.8 57.1 -67.2 -35.3 71.4 45.2 48.0 505 80 C N H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 109.9 45.3 -57.7 -44.6 72.4 48.8 49.0 506 81 C A H > S+ 0 0 28 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.801 109.5 55.1 -69.5 -33.8 75.2 48.8 46.4 507 82 C M H ><>S+ 0 0 0 -4,-1.6 5,-2.2 -9,-0.2 3,-0.5 0.945 108.0 49.5 -60.3 -43.1 72.9 47.2 43.8 508 83 C I H ><5S+ 0 0 8 -4,-2.1 3,-2.5 1,-0.3 -2,-0.2 0.943 106.2 56.0 -67.1 -39.3 70.4 50.1 44.2 509 84 C D H 3<5S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.785 103.8 56.6 -58.2 -32.9 73.3 52.6 43.9 510 85 C E T <<5S- 0 0 38 -4,-1.2 -1,-0.3 -3,-0.5 -48,-0.2 0.248 134.9 -88.9 -82.4 14.0 73.9 50.9 40.5 511 86 C G T < 5S+ 0 0 0 -3,-2.5 -52,-0.3 1,-0.3 -3,-0.2 0.557 77.3 151.1 98.3 0.1 70.3 51.6 39.3 512 87 C G < - 0 0 3 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.473 35.5-145.8 -70.7 145.9 68.8 48.4 40.7 513 88 C N >> - 0 0 13 -54,-0.2 4,-2.8 -2,-0.1 3,-0.7 -0.944 14.3-130.1-109.8 138.0 65.1 48.6 41.7 514 89 C V H 3> S+ 0 0 7 -2,-0.4 4,-1.2 1,-0.3 -1,-0.1 0.806 105.5 55.2 -58.6 -36.7 63.9 46.5 44.7 515 90 C Y H 34 S+ 0 0 10 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.857 113.0 42.0 -64.8 -38.4 61.0 45.0 42.8 516 91 C F H X4 S+ 0 0 1 -3,-0.7 3,-1.4 1,-0.2 4,-0.4 0.892 114.4 51.1 -70.6 -48.3 63.2 43.7 40.1 517 92 C L H >X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 3,-1.1 0.713 88.8 80.7 -67.3 -13.5 65.9 42.6 42.6 518 93 C S H 3X S+ 0 0 4 -4,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.835 85.7 61.9 -60.6 -29.2 63.3 40.7 44.6 519 94 C K H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.4 -1,-0.3 0.830 102.2 51.7 -64.0 -35.0 63.7 38.0 42.0 520 95 C L H <> S+ 0 0 0 -3,-1.1 4,-1.7 -4,-0.4 -2,-0.2 0.938 113.5 40.0 -64.5 -50.8 67.3 37.7 43.1 521 96 C F H <>S+ 0 0 1 -4,-1.6 5,-3.1 1,-0.2 -2,-0.2 0.769 114.1 55.6 -74.0 -23.9 66.7 37.3 46.8 522 97 C S H ><5S+ 0 0 7 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 0.900 103.8 53.3 -72.1 -36.4 63.7 35.0 46.1 523 98 C T H 3<5S+ 0 0 11 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.890 106.9 53.4 -63.5 -35.2 66.0 32.7 44.0 524 99 C D T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.406 121.9-112.4 -67.5 -5.9 68.3 32.6 47.1 525 100 C G T < 5S+ 0 0 38 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.627 71.9 138.5 75.8 17.5 65.2 31.5 49.1 526 101 C K < - 0 0 74 -5,-3.1 -1,-0.2 -6,-0.1 2,-0.1 -0.587 47.6-126.8 -90.4 161.8 65.1 34.8 51.1 527 102 C S > - 0 0 58 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.446 25.4-109.8 -94.0 169.5 62.0 36.9 52.1 528 103 C F H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.870 120.9 59.2 -59.8 -35.5 61.4 40.6 51.5 529 104 C Q H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 105.2 49.0 -64.2 -37.6 61.7 41.1 55.2 530 105 C F H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 112.8 47.3 -57.7 -50.2 65.3 39.6 55.0 531 106 C A H < S+ 0 0 2 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.921 113.0 47.1 -67.4 -36.2 66.2 41.9 52.1 532 107 C A H >< S+ 0 0 1 -4,-2.9 3,-2.0 1,-0.2 4,-0.3 0.968 113.0 46.9 -71.4 -52.2 64.8 45.1 53.7 533 108 C G H >X S+ 0 0 5 -4,-2.0 3,-2.0 1,-0.3 4,-0.5 0.883 103.7 64.0 -55.4 -35.9 66.5 44.6 57.0 534 109 C S T 3< S+ 0 0 51 -4,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.660 99.7 53.5 -60.3 -19.9 69.8 43.8 55.3 535 110 C M T <4 S+ 0 0 5 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.497 100.6 62.2 -94.6 -4.1 69.9 47.3 53.9 536 111 C T T <4 S- 0 0 26 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.454 102.9-122.8 -97.2 -9.9 69.4 48.9 57.4 537 112 C G S < S+ 0 0 73 -4,-0.5 -3,-0.1 1,-0.3 -4,-0.1 0.176 74.7 124.7 84.8 -23.9 72.6 47.6 59.0 538 113 C M - 0 0 44 -5,-0.4 -1,-0.3 1,-0.1 2,-0.2 -0.241 67.9-107.3 -63.0 161.4 70.4 46.0 61.7 539 114 C T > - 0 0 74 -3,-0.1 4,-3.4 1,-0.1 5,-0.3 -0.554 31.3-106.5 -83.8 157.1 70.6 42.3 62.4 540 115 C Q H > S+ 0 0 113 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.928 121.4 46.8 -53.7 -37.9 67.8 40.0 61.2 541 116 C E H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 113.6 44.0 -70.3 -47.6 66.6 39.8 64.8 542 117 C E H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.943 113.1 53.5 -70.6 -35.7 66.7 43.5 65.8 543 118 C Y H X S+ 0 0 2 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.926 111.1 46.6 -56.7 -45.6 65.1 44.3 62.5 544 119 C A H X S+ 0 0 30 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.841 111.2 50.8 -66.9 -35.3 62.3 41.8 63.3 545 120 C Q H X S+ 0 0 88 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.915 107.6 53.7 -67.5 -39.5 61.9 43.2 66.9 546 121 C M H <>S+ 0 0 51 -4,-2.6 5,-2.9 1,-0.2 4,-0.2 0.939 109.2 48.7 -59.9 -38.5 61.6 46.8 65.6 547 122 C M H ><5S+ 0 0 1 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.2 0.923 110.7 50.4 -65.8 -43.0 58.8 45.7 63.2 548 123 C I H 3<5S+ 0 0 47 -4,-1.9 314,-0.3 1,-0.3 313,-0.3 0.958 107.6 54.8 -60.5 -42.7 57.0 43.9 66.1 549 124 C D T 3<5S- 0 0 83 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.406 137.3 -76.0 -75.8 1.5 57.3 47.1 68.2 550 125 C G T < 5S- 0 0 18 -3,-1.3 -3,-0.2 -4,-0.2 221,-0.2 0.282 71.4 -96.7 125.7 -7.6 55.6 49.3 65.6 551 126 C G < - 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