==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAY-08 3D9F . COMPND 2 MOLECULE: NITROALKANE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR A.HEROUX,D.M.BOZINOVSKI,M.P.VALLEY,P.F.FITZPATRICK,A.M.ORVIL . 1722 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1264 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 7.8 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 0.2 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 . 75 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 242 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 698 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.5 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 6 7 3 1 5 3 4 0 5 0 1 0 6 1 0 2 0 0 0 0 0 0 0 0 2 2 8 RESIDUES PER ALPHA HELIX . 4 4 0 4 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 . 10 0 0 4 4 3 3 2 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 0 0 0 4 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 2 A V 0 0 40 0, 0.0 2,-0.4 0, 0.0 866,-0.2 0.000 360.0 360.0 360.0 142.4 24.4 -49.9 -29.2 2 3 A D B +A 866 0A 70 864,-2.7 864,-2.7 1,-0.1 866,-0.1 -0.993 360.0 176.0-146.9 132.4 22.3 -48.0 -31.7 3 4 A F + 0 0 8 -2,-0.4 -1,-0.1 862,-0.2 2,-0.0 0.439 47.1 121.3-114.8 -3.8 22.3 -44.7 -33.5 4 5 A K - 0 0 141 1,-0.1 2,-0.4 862,-0.1 1288,-0.1 -0.316 57.0-130.6 -70.2 141.8 19.3 -45.1 -35.8 5 6 A L - 0 0 27 1286,-0.2 -1,-0.1 860,-0.1 -2,-0.1 -0.759 16.6-129.6 -95.6 140.0 16.4 -42.6 -35.6 6 7 A S >> - 0 0 39 -2,-0.4 4,-2.8 1,-0.1 3,-0.5 -0.372 30.4-101.7 -77.8 161.7 12.8 -43.7 -35.3 7 8 A P H 3> S+ 0 0 115 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.865 125.2 50.5 -48.3 -40.2 9.9 -42.4 -37.5 8 9 A S H 3> S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.822 109.7 50.0 -73.9 -28.4 8.8 -40.1 -34.6 9 10 A Q H <> S+ 0 0 13 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.933 113.3 45.6 -69.8 -47.4 12.4 -38.8 -34.2 10 11 A L H X S+ 0 0 73 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.847 114.4 49.4 -62.2 -35.5 12.6 -38.1 -37.9 11 12 A E H X S+ 0 0 90 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.892 106.9 54.7 -69.2 -40.7 9.1 -36.5 -37.8 12 13 A A H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 110.4 47.3 -56.8 -44.9 10.1 -34.4 -34.8 13 14 A R H X S+ 0 0 41 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.942 112.2 48.2 -59.1 -51.4 13.0 -33.1 -36.9 14 15 A R H X S+ 0 0 122 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.914 113.2 49.0 -56.8 -46.4 10.8 -32.5 -40.0 15 16 A H H X S+ 0 0 45 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.888 111.6 47.5 -63.7 -42.3 8.3 -30.7 -37.9 16 17 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.936 114.2 47.9 -64.9 -44.7 10.9 -28.5 -36.2 17 18 A Q H X S+ 0 0 59 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.947 111.3 49.9 -59.3 -53.4 12.5 -27.6 -39.6 18 19 A A H X S+ 0 0 35 -4,-3.1 4,-2.6 1,-0.2 5,-0.4 0.915 114.0 45.8 -49.0 -50.8 9.1 -26.8 -41.1 19 20 A F H X>S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 5,-1.6 0.896 114.1 47.9 -62.2 -43.2 8.3 -24.5 -38.1 20 21 A A H <>S+ 0 0 0 -4,-2.7 5,-1.6 3,-0.2 -2,-0.2 0.946 117.3 42.3 -61.6 -47.3 11.7 -22.9 -38.2 21 22 A N H <5S+ 0 0 87 -4,-3.3 -2,-0.2 3,-0.2 -3,-0.2 0.905 124.0 32.2 -68.3 -45.7 11.5 -22.3 -42.0 22 23 A T H <5S+ 0 0 76 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.756 134.1 21.0 -90.3 -26.5 7.9 -21.1 -42.4 23 24 A V T ><5S+ 0 0 16 -4,-2.0 3,-1.4 -5,-0.4 4,-0.2 0.859 122.3 44.2-105.4 -56.9 7.4 -19.3 -39.0 24 25 A L G > S+ 0 0 130 -3,-1.4 4,-0.6 1,-0.2 3,-0.3 0.547 86.3 83.4 -90.1 -7.9 9.7 -14.2 -40.5 27 28 A A H X> S+ 0 0 0 -3,-2.1 4,-1.9 -4,-0.2 3,-0.8 0.836 80.1 61.9 -65.9 -37.1 10.6 -13.1 -37.0 28 29 A S H 3> S+ 0 0 45 -4,-0.4 4,-2.7 1,-0.3 5,-0.2 0.876 93.3 61.2 -60.7 -43.7 13.5 -10.8 -38.0 29 30 A A H 34 S+ 0 0 68 -3,-0.3 4,-0.3 -4,-0.3 -1,-0.3 0.835 112.4 41.6 -52.2 -33.6 11.4 -8.4 -40.1 30 31 A E H << S+ 0 0 105 -3,-0.8 3,-0.3 -4,-0.6 -2,-0.2 0.871 119.1 38.3 -85.8 -44.4 9.5 -7.6 -36.9 31 32 A Y H >< S+ 0 0 13 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.800 102.0 71.4 -80.4 -27.7 12.1 -7.4 -34.2 32 33 A S T 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.776 97.3 51.2 -56.7 -31.7 14.8 -5.7 -36.3 33 34 A T T 3 S+ 0 0 112 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.498 88.3 102.3 -88.1 -8.5 12.9 -2.4 -36.3 34 35 A Q < - 0 0 78 -3,-1.5 6,-0.0 -4,-0.2 -3,-0.0 -0.420 68.1-136.6 -78.6 160.5 12.4 -2.2 -32.5 35 36 A K S S+ 0 0 163 -2,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.755 70.3 15.7 -93.1 -32.0 14.6 0.0 -30.4 36 37 A D S > S- 0 0 55 1,-0.1 4,-2.2 202,-0.0 5,-0.2 -0.800 83.3 -88.0-141.1 178.6 15.6 -2.0 -27.3 37 38 A Q H > S+ 0 0 0 -2,-0.2 4,-2.6 193,-0.2 5,-0.2 0.954 121.5 46.2 -58.3 -53.5 15.8 -5.4 -25.8 38 39 A L H > S+ 0 0 30 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.930 112.5 49.4 -54.8 -54.2 12.2 -5.5 -24.3 39 40 A S H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.836 111.6 50.1 -52.4 -40.8 10.6 -4.1 -27.5 40 41 A R H X S+ 0 0 22 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.929 112.1 47.4 -65.5 -45.9 12.4 -6.8 -29.5 41 42 A F H >X S+ 0 0 0 -4,-2.6 3,-1.6 196,-0.2 4,-0.5 0.953 112.6 49.4 -55.0 -52.4 11.3 -9.5 -27.1 42 43 A Q H >< S+ 0 0 83 -4,-3.5 3,-1.2 1,-0.3 -2,-0.2 0.856 104.3 58.5 -58.3 -38.0 7.6 -8.1 -27.2 43 44 A A H 3< S+ 0 0 19 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.686 99.9 61.6 -61.9 -18.1 7.8 -8.1 -31.1 44 45 A T H XX S+ 0 0 0 -3,-1.6 3,-2.4 -4,-0.6 4,-1.6 0.693 75.4 95.1 -82.3 -22.6 8.5 -11.8 -30.7 45 46 A R H S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.733 107.7 51.1 -62.3 -20.1 3.3 -13.7 -32.2 47 48 A F H <> S+ 0 0 23 -3,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.871 109.6 48.8 -84.3 -36.0 6.0 -16.3 -33.0 48 49 A Y H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.891 108.7 55.2 -61.5 -43.3 5.8 -17.8 -29.5 49 50 A R H X S+ 0 0 65 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.948 109.2 47.0 -50.0 -51.2 2.0 -17.8 -30.1 50 51 A E H X S+ 0 0 54 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.793 109.0 54.9 -63.0 -31.0 2.7 -19.8 -33.3 51 52 A A H <>S+ 0 0 0 -4,-1.5 5,-2.3 2,-0.2 6,-0.4 0.908 109.1 46.5 -69.1 -45.7 5.1 -22.1 -31.3 52 53 A V H ><5S+ 0 0 7 -4,-2.6 3,-2.7 1,-0.2 6,-0.3 0.969 110.8 53.3 -56.4 -52.8 2.4 -22.9 -28.8 53 54 A R H 3<5S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 106.4 53.7 -53.1 -30.4 -0.1 -23.5 -31.7 54 55 A H T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.441 119.1-112.3 -88.2 -0.3 2.5 -25.9 -33.1 55 56 A G T <>5S+ 0 0 24 -3,-2.7 4,-1.9 -4,-0.2 -3,-0.2 0.487 79.7 127.3 90.4 6.7 2.6 -27.9 -29.9 56 57 A L T 44 S+ 0 0 2 -6,-0.4 3,-1.3 2,-0.2 -1,-0.2 0.852 112.1 52.3 -79.4 -37.3 5.6 -25.6 -25.6 58 59 A K G >4 S+ 0 0 74 -6,-0.3 10,-1.7 1,-0.3 3,-1.6 0.827 101.5 61.7 -63.8 -36.4 3.5 -28.7 -24.8 59 60 A A G 3< S+ 0 0 15 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.456 89.4 70.5 -72.4 -3.6 6.3 -30.9 -26.0 60 61 A Q G < S+ 0 0 1 -3,-1.3 -1,-0.3 59,-0.2 -2,-0.2 0.538 91.1 73.1 -81.2 -10.2 8.5 -29.4 -23.2 61 62 A V S < S- 0 0 0 -3,-1.6 8,-2.2 -4,-0.1 7,-0.4 -0.904 92.2-106.7-115.0 129.1 6.4 -31.3 -20.6 62 63 A P B > > -b 69 0B 32 0, 0.0 5,-2.0 0, 0.0 3,-1.6 -0.156 27.3-118.0 -52.3 147.2 6.7 -35.1 -20.1 63 64 A I G > 5S+ 0 0 100 6,-0.9 3,-2.3 1,-0.3 7,-0.1 0.894 113.6 56.5 -53.3 -47.2 3.7 -37.3 -21.4 64 65 A P G 3 5S+ 0 0 119 0, 0.0 -1,-0.3 0, 0.0 4,-0.0 0.625 106.3 53.7 -64.9 -8.9 2.8 -38.6 -17.8 65 66 A L G < 5S- 0 0 45 -3,-1.6 -2,-0.2 47,-0.0 3,-0.1 0.195 131.0 -92.9-106.3 13.0 2.4 -34.9 -16.8 66 67 A G T < 5S+ 0 0 36 -3,-2.3 -3,-0.2 1,-0.2 -5,-0.0 0.155 93.0 110.9 98.3 -18.0 0.0 -34.1 -19.7 67 68 A G < - 0 0 6 -5,-2.0 -8,-0.2 1,-0.1 -1,-0.2 0.201 69.7-124.5 -78.2-164.3 2.7 -33.0 -22.2 68 69 A T + 0 0 56 -10,-1.7 2,-0.3 -7,-0.4 -9,-0.2 0.237 52.7 140.9-129.6 12.4 3.9 -34.5 -25.4 69 70 A M B -b 62 0B 23 -8,-2.2 -6,-0.9 -11,-0.6 3,-0.1 -0.412 30.1-169.6 -61.8 116.7 7.7 -34.8 -24.8 70 71 A E - 0 0 102 -2,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.700 59.5 -46.8 -83.1 -19.8 8.6 -38.1 -26.4 71 72 A S > - 0 0 23 1,-0.1 4,-2.2 2,-0.0 -1,-0.3 -0.863 55.8 -90.1 163.7 169.6 12.2 -38.1 -24.9 72 73 A L H > S+ 0 0 11 -2,-0.2 4,-1.9 2,-0.2 266,-0.1 0.774 123.0 55.5 -77.1 -26.4 15.3 -36.0 -24.5 73 74 A V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 107.3 49.9 -66.6 -46.8 16.8 -37.1 -27.8 74 75 A H H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.953 112.1 49.3 -51.7 -52.7 13.6 -35.9 -29.5 75 76 A E H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.853 109.5 51.8 -50.3 -43.3 14.1 -32.7 -27.6 76 77 A S H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.881 109.0 49.6 -65.1 -45.1 17.7 -32.5 -28.8 77 78 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.918 112.6 48.1 -57.4 -46.2 16.8 -32.9 -32.4 78 79 A I H X S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.936 110.4 49.9 -64.7 -49.5 14.1 -30.2 -32.1 79 80 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.864 109.0 51.9 -59.9 -38.5 16.4 -27.6 -30.4 80 81 A E H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.907 111.1 47.5 -65.6 -44.3 19.2 -28.0 -32.9 81 82 A E H < S+ 0 0 3 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.881 114.7 45.9 -61.8 -43.9 16.7 -27.4 -35.9 82 83 A L H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-1.4 0.938 116.1 44.4 -64.9 -50.1 15.2 -24.4 -34.2 83 84 A F H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.746 101.8 66.5 -72.9 -24.2 18.5 -22.8 -33.2 84 85 A A T 3< S+ 0 0 15 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.614 117.5 26.4 -65.6 -12.7 20.1 -23.6 -36.6 85 86 A V T <4 S- 0 0 37 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.756 134.7 -8.8-114.3 -55.6 17.6 -21.0 -38.1 86 87 A E < - 0 0 8 -4,-2.5 4,-0.5 1,-0.1 -1,-0.2 -0.881 40.1-165.5-155.9 110.9 16.5 -18.4 -35.5 87 88 A P > + 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.627 66.6 103.8 -73.1 -13.5 17.2 -18.3 -31.7 88 89 A A T 4 S+ 0 0 1 1,-0.2 2,-2.0 2,-0.2 -61,-0.1 -0.514 99.7 1.8 -64.2 139.4 14.5 -15.7 -31.3 89 90 A T T > S+ 0 0 0 1,-0.2 4,-2.3 -2,-0.2 3,-0.4 -0.226 122.9 77.0 69.9 -46.7 11.4 -17.3 -29.8 90 91 A S H > S+ 0 0 0 -2,-2.0 4,-1.9 -4,-0.5 -2,-0.2 0.911 93.6 49.9 -52.0 -46.2 13.4 -20.6 -29.7 91 92 A I H X S+ 0 0 11 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.753 107.7 54.8 -62.7 -27.5 15.2 -19.2 -26.6 92 93 A T H > S+ 0 0 0 -3,-0.4 4,-1.8 -5,-0.2 36,-0.3 0.910 105.8 51.7 -76.9 -40.6 11.8 -18.4 -25.1 93 94 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 114.8 41.7 -54.5 -50.7 10.6 -22.0 -25.6 94 95 A V H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.776 110.6 55.3 -74.5 -29.6 13.7 -23.4 -23.8 95 96 A A H X S+ 0 0 12 -4,-1.7 4,-1.6 2,-0.2 35,-0.4 0.837 109.5 49.3 -69.3 -34.3 13.7 -20.7 -21.0 96 97 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.926 107.5 53.6 -65.5 -49.1 10.1 -21.8 -20.3 97 98 A A H X S+ 0 0 10 -4,-2.0 4,-1.3 1,-0.3 -2,-0.2 0.902 109.6 48.4 -55.2 -42.5 11.1 -25.4 -20.2 98 99 A L H < S+ 0 0 36 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.897 110.5 51.5 -61.6 -40.6 13.8 -24.6 -17.6 99 100 A G H < S+ 0 0 0 -4,-1.6 4,-0.3 29,-0.3 30,-0.3 0.822 111.6 47.4 -65.2 -33.6 11.2 -22.6 -15.7 100 101 A L H >X S+ 0 0 0 -4,-2.3 4,-2.9 28,-0.2 3,-0.5 0.689 93.3 84.9 -78.7 -20.9 8.9 -25.6 -15.7 101 102 A M H 3X S+ 0 0 17 -4,-1.3 4,-2.2 1,-0.2 5,-0.2 0.872 82.7 51.5 -56.0 -51.3 11.6 -28.0 -14.7 102 103 A P H 3> S+ 0 0 0 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.864 116.8 44.0 -59.1 -31.9 11.6 -27.7 -10.9 103 104 A V H X4 S+ 0 0 0 -3,-0.5 3,-0.7 -4,-0.3 -2,-0.2 0.927 112.4 51.3 -70.6 -48.3 7.8 -28.4 -11.1 104 105 A I H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.818 115.6 44.1 -52.7 -32.7 8.2 -31.2 -13.6 105 106 A L H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.609 91.8 97.3 -96.1 -15.3 10.8 -32.8 -11.3 106 107 A C S << S- 0 0 7 -4,-0.8 152,-0.1 -3,-0.7 -3,-0.1 -0.128 76.2-125.4 -69.2 170.8 9.0 -32.4 -7.9 107 108 A D S S+ 0 0 157 1,-0.1 -1,-0.1 5,-0.0 -3,-0.1 0.228 74.3 105.4-108.2 21.1 7.1 -35.3 -6.5 108 109 A S > - 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0 0 22 -3,-1.2 -5,-0.1 -6,-0.2 -72,-0.0 -0.192 32.2-166.9 -42.3 120.0 28.0 -34.3 -50.3 1286 423 C E > - 0 0 75 1,-0.1 3,-1.6 0, 0.0 4,-0.3 -0.904 4.3-163.0-116.8 99.7 25.5 -34.7 -47.6 1287 424 C P T 3 S+ 0 0 24 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.827 86.8 34.5 -52.2 -41.3 27.2 -33.7 -44.3 1288 425 C W T >> S+ 0 0 17 1,-0.2 4,-3.1 2,-0.1 3,-1.3 0.093 77.7 115.5-106.9 20.7 24.6 -35.3 -42.0 1289 426 C A H <> S+ 0 0 1 -3,-1.6 4,-1.1 1,-0.3 -1,-0.2 0.856 76.5 55.2 -59.4 -36.6 23.6 -38.4 -43.9 1290 427 C A H 34 S+ 0 0 16 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.694 120.4 32.0 -69.8 -17.5 25.1 -40.8 -41.3 1291 428 C T H <4 S+ 0 0 9 -3,-1.3 -2,-0.2 2,-0.1 -1286,-0.2 0.848 130.9 25.0-103.3 -51.0 22.9 -39.1 -38.6 1292 429 C Y H < S- 0 0 15 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.258 108.6-107.7-108.0 10.6 19.7 -37.9 -40.2 1293 430 C G < 0 0 43 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.1 0.127 360.0 360.0 76.5 161.8 19.5 -40.4 -43.1 1294 431 C S 0 0 105 -5,-0.1 -1,-0.1 -3,-0.1 -5,-0.1 0.725 360.0 360.0 -83.0 360.0 20.0 -39.6 -46.8 1295 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1296 2 D V 0 0 35 0, 0.0 2,-0.3 0, 0.0 -861,-0.2 0.000 360.0 360.0 360.0 149.5 64.3 0.1 -29.1 1297 3 D D B -L 434 0F 62 -863,-3.1 -863,-3.2 1,-0.1 -861,-0.1 -0.997 360.0-175.9-157.3 131.5 66.8 -2.1 -30.9 1298 4 D F + 0 0 7 -2,-0.3 -1,-0.1 -865,-0.2 -863,-0.0 0.367 47.7 125.6-111.9 0.9 67.2 -5.7 -31.9 1299 5 D K - 0 0 125 -865,-0.1 2,-0.3 1,-0.1 -439,-0.1 -0.269 54.4-131.4 -68.2 144.9 70.6 -5.6 -33.5 1300 6 D L - 0 0 29 -441,-0.2 -1,-0.1 -867,-0.0 -2,-0.1 -0.733 15.5-127.6 -98.1 146.6 73.4 -7.9 -32.3 1301 7 D S > - 0 0 41 -2,-0.3 4,-2.6 1,-0.1 3,-0.5 -0.481 30.1-104.6 -84.6 159.4 76.8 -6.7 -31.4 1302 8 D P H > S+ 0 0 113 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.794 124.3 51.9 -52.6 -27.9 80.0 -8.3 -32.8 1303 9 D S H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.826 107.3 50.1 -81.5 -30.8 80.5 -10.0 -29.5 1304 10 D Q H > S+ 0 0 15 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.914 113.2 47.8 -67.3 -42.1 77.0 -11.4 -29.4 1305 11 D L H X S+ 0 0 75 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.889 110.4 52.0 -63.6 -39.5 77.6 -12.7 -32.9 1306 12 D E H X S+ 0 0 90 -4,-1.8 4,-3.2 -5,-0.2 5,-0.2 0.883 105.4 54.3 -65.2 -38.3 80.9 -14.2 -31.8 1307 13 D A H X S+ 0 0 10 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.901 109.3 49.5 -61.2 -40.1 79.2 -16.0 -28.9 1308 14 D R H X S+ 0 0 45 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.944 113.0 45.0 -61.5 -51.2 76.9 -17.6 -31.4 1309 15 D R H X S+ 0 0 119 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.939 114.4 49.6 -58.9 -51.3 79.7 -18.7 -33.7 1310 16 D H H X S+ 0 0 51 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.909 114.0 45.8 -54.0 -48.6 81.7 -19.9 -30.7 1311 17 D A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.934 112.4 48.9 -64.1 -46.9 78.7 -21.9 -29.4 1312 18 D Q H X S+ 0 0 59 -4,-3.2 4,-3.5 1,-0.2 5,-0.2 0.938 112.5 49.3 -55.6 -48.3 77.7 -23.4 -32.8 1313 19 D A H X S+ 0 0 35 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.888 111.9 47.7 -60.3 -43.1 81.4 -24.5 -33.5 1314 20 D F H X>S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 5,-1.4 0.943 115.2 46.0 -63.5 -47.1 81.6 -26.1 -30.0 1315 21 D A H <>S+ 0 0 0 -4,-2.9 5,-1.8 3,-0.2 -2,-0.2 0.947 118.1 42.4 -56.7 -49.8 78.3 -27.9 -30.6 1316 22 D N H <5S+ 0 0 93 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.869 123.4 33.7 -70.1 -41.8 79.1 -29.1 -34.1 1317 23 D T H <5S+ 0 0 91 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.799 135.4 18.5 -86.4 -32.3 82.7 -30.2 -33.6 1318 24 D V T ><5S+ 0 0 13 -4,-2.2 3,-1.7 -5,-0.4 4,-0.2 0.883 121.0 47.8-104.8 -61.3 82.5 -31.5 -30.0 1319 25 D L G >> S+ 0 0 135 -3,-1.7 4,-0.6 1,-0.2 -1,-0.3 0.569 86.1 79.3 -84.3 -7.0 80.5 -36.8 -30.9 1322 28 D A H X> S+ 0 0 0 -3,-2.2 4,-2.7 -4,-0.2 3,-1.3 0.896 81.9 62.4 -71.8 -38.4 78.8 -37.4 -27.6 1323 29 D S H 3X S+ 0 0 48 -4,-0.5 4,-2.6 1,-0.3 5,-0.2 0.884 97.0 57.5 -52.8 -48.9 76.1 -39.7 -28.9 1324 30 D A H 34 S+ 0 0 75 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.772 115.0 40.0 -51.9 -30.0 78.6 -42.4 -30.1 1325 31 D E H X< S+ 0 0 104 -3,-1.3 3,-0.8 -4,-0.6 -2,-0.2 0.904 119.8 38.8 -88.2 -49.7 79.8 -42.6 -26.5 1326 32 D Y H >< S+ 0 0 13 -4,-2.7 3,-2.1 1,-0.2 -3,-0.2 0.854 101.0 72.9 -76.0 -29.1 76.7 -42.4 -24.4 1327 33 D S T 3< S+ 0 0 77 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.687 93.9 55.8 -55.4 -21.6 74.5 -44.5 -26.7 1328 34 D T T < S+ 0 0 99 -3,-0.8 -1,-0.3 -5,-0.2 2,-0.2 0.504 86.8 93.6 -92.4 -3.2 76.3 -47.7 -25.6 1329 35 D Q < - 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0 0 10 -4,-2.4 4,-0.5 1,-0.1 -1,-0.2 -0.832 37.5-163.5-164.2 107.3 72.7 -31.8 -28.3 1382 88 D P H > + 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.671 66.3 107.6 -68.6 -20.0 71.4 -31.3 -24.7 1383 89 D A H 4 S- 0 0 3 1,-0.2 2,-2.2 2,-0.2 -61,-0.1 -0.419 99.9 -1.5 -54.1 132.8 73.9 -33.9 -23.5 1384 90 D T H > S+ 0 0 0 1,-0.2 4,-2.1 149,-0.2 3,-0.2 -0.244 123.0 78.3 73.1 -51.7 76.6 -31.9 -21.5 1385 91 D S H X S+ 0 0 0 -2,-2.2 4,-1.8 -4,-0.5 -2,-0.2 0.898 94.1 49.9 -49.5 -44.1 74.7 -28.6 -22.4 1386 92 D I H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.857 106.8 54.4 -62.6 -38.0 72.3 -29.5 -19.6 1387 93 D T H > S+ 0 0 0 -5,-0.3 4,-1.7 -3,-0.2 36,-0.3 0.863 106.4 53.8 -64.0 -37.6 75.2 -30.1 -17.2 1388 94 D I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.927 112.6 40.6 -63.0 -49.7 76.5 -26.6 -18.0 1389 95 D V H X S+ 0 0 22 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.802 111.5 56.3 -73.4 -28.0 73.2 -24.9 -17.1 1390 96 D A H X S+ 0 0 14 -4,-2.2 4,-2.0 2,-0.2 35,-0.4 0.868 108.8 48.4 -68.0 -35.4 72.6 -27.1 -14.1 1391 97 D T H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.907 109.2 53.6 -65.4 -45.1 76.0 -25.9 -12.8 1392 98 D A H X S+ 0 0 13 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.886 110.3 45.9 -57.5 -46.1 75.0 -22.3 -13.5 1393 99 D L H < S+ 0 0 35 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.906 111.5 53.2 -62.2 -43.6 71.8 -22.7 -11.5 1394 100 D G H < S+ 0 0 0 -4,-2.0 30,-0.3 29,-0.3 4,-0.3 0.813 111.4 46.2 -60.7 -30.6 73.9 -24.4 -8.7 1395 101 D L H >X S+ 0 0 0 -4,-2.0 4,-2.1 28,-0.2 3,-1.0 0.713 92.6 85.3 -82.3 -22.4 76.3 -21.4 -8.7 1396 102 D M H 3X S+ 0 0 32 -4,-1.1 4,-2.9 -3,-0.4 5,-0.3 0.820 80.5 55.2 -58.5 -48.5 73.5 -18.8 -8.7 1397 103 D P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.865 114.7 44.6 -53.0 -31.4 72.7 -18.5 -4.9 1398 104 D V H <4 S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.3 5,-0.2 0.939 113.4 48.7 -77.7 -44.2 76.4 -17.8 -4.5 1399 105 D I H < S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.828 118.1 41.8 -59.8 -37.8 76.6 -15.4 -7.4 1400 106 D L H < S+ 0 0 51 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.739 96.3 87.1 -85.8 -28.4 73.5 -13.5 -6.1 1401 107 D C S < S- 0 0 7 -4,-1.6 152,-0.1 -5,-0.3 -3,-0.0 -0.133 77.0-134.2 -62.8 169.7 74.4 -13.5 -2.4 1402 108 D D + 0 0 142 1,-0.0 -1,-0.1 5,-0.0 3,-0.1 0.100 64.7 115.4-129.6 39.4 76.4 -10.6 -1.5 1403 109 D S > - 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