==== 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 02-NOV-04 1WS9 . COMPND 2 MOLECULE: ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR K.SHIMIZU,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS I . 772 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 9.7 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 . 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 . 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 . 28 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 2 5 1 0 0 4 0 4 0 0 2 0 0 0 0 0 0 0 1 1 0 0 2 2 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 0 2 0 2 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 . 1 0 0 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 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 G 0 0 93 0, 0.0 6,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-149.2 33.8 -11.4 14.6 2 3 A L > - 0 0 33 4,-0.1 3,-2.0 1,-0.1 691,-0.0 -0.337 360.0-117.1 -59.2 138.5 31.1 -10.9 17.1 3 4 A W T 3 S+ 0 0 28 1,-0.3 4,-0.1 3,-0.0 -1,-0.1 0.862 111.5 50.2 -43.2 -58.2 28.1 -13.3 16.3 4 5 A F T 3 S+ 0 0 12 685,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.445 105.9 79.3 -65.5 1.3 25.4 -10.6 15.6 5 6 A E S < S- 0 0 55 -3,-2.0 2,-0.4 -4,-0.0 0, 0.0 -0.759 93.8 -98.7-113.7 154.9 27.9 -9.0 13.3 6 7 A E - 0 0 46 -2,-0.3 -4,-0.1 4,-0.1 -2,-0.1 -0.593 45.1-140.1 -71.9 126.1 29.0 -9.8 9.7 7 8 A G > - 0 0 12 -2,-0.4 4,-2.4 -6,-0.1 5,-0.2 -0.220 25.5 -96.4 -80.6 176.0 32.3 -11.7 9.9 8 9 A A H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.928 125.2 46.5 -57.3 -48.8 35.3 -11.3 7.6 9 10 A E H > S+ 0 0 166 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.832 111.4 51.4 -64.6 -35.0 34.2 -14.2 5.4 10 11 A E H >> S+ 0 0 22 1,-0.2 4,-3.3 2,-0.2 3,-0.6 0.906 109.9 50.1 -68.7 -40.6 30.6 -13.0 5.2 11 12 A R H 3X S+ 0 0 143 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.837 102.1 61.0 -65.5 -35.3 31.9 -9.5 4.2 12 13 A Q H 3< S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.811 117.1 32.1 -62.5 -28.5 34.1 -11.0 1.5 13 14 A V H S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.869 115.4 57.3 -64.0 -34.2 31.1 -7.4 -3.6 17 18 A F H X S+ 0 0 13 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.928 103.8 51.7 -62.6 -45.6 27.5 -8.8 -3.9 18 19 A R H X S+ 0 0 63 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.891 107.9 51.6 -59.3 -40.7 26.0 -5.5 -2.7 19 20 A E H X S+ 0 0 128 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.905 109.2 50.3 -64.6 -40.1 27.9 -3.5 -5.3 20 21 A F H X>S+ 0 0 37 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.954 113.1 47.2 -60.1 -48.3 26.8 -5.9 -8.1 21 22 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-2.1 0.925 111.4 50.0 -57.9 -48.5 23.2 -5.4 -6.8 22 23 A K H <5S+ 0 0 124 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 119.9 36.8 -60.0 -37.8 23.5 -1.6 -6.6 23 24 A A H <5S+ 0 0 61 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.791 131.6 23.2 -87.1 -31.1 24.9 -1.5 -10.2 24 25 A E H <5S+ 0 0 80 -4,-3.1 4,-0.2 -5,-0.2 -3,-0.2 0.701 129.4 33.0-109.2 -25.8 22.9 -4.2 -11.9 25 26 A V T <> S+ 0 0 14 -3,-0.5 4,-2.3 -4,-0.2 5,-0.2 0.244 87.7 99.9-101.1 15.7 15.6 -1.4 -13.2 29 30 A A H <> S+ 0 0 3 -3,-2.1 4,-1.9 -4,-0.3 -1,-0.2 0.933 84.9 48.1 -64.8 -46.5 13.7 -2.1 -10.0 30 31 A A H X S+ 0 0 33 -4,-0.5 4,-1.0 -3,-0.2 -1,-0.2 0.909 113.7 47.6 -60.3 -44.0 11.2 0.8 -10.6 31 32 A E H >> S+ 0 0 113 -4,-0.3 4,-2.9 1,-0.2 3,-0.6 0.901 109.9 51.2 -65.6 -42.9 10.6 -0.3 -14.2 32 33 A R H 3X S+ 0 0 25 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.864 105.6 57.3 -63.2 -34.4 10.1 -4.0 -13.3 33 34 A D H 3< S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.799 113.8 40.0 -65.5 -28.2 7.6 -2.9 -10.7 34 35 A R H << S+ 0 0 160 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.869 126.0 31.6 -87.6 -42.4 5.6 -1.2 -13.4 35 36 A T H < S- 0 0 80 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.786 86.1-142.7 -88.3 -29.3 6.0 -3.8 -16.3 36 37 A G < + 0 0 8 -4,-2.6 2,-0.5 -5,-0.3 -4,-0.1 0.654 39.1 165.8 74.5 13.3 6.1 -7.0 -14.2 37 38 A A - 0 0 55 -6,-0.2 -1,-0.2 -5,-0.1 174,-0.1 -0.513 42.4-117.2 -69.1 117.3 8.7 -8.2 -16.8 38 39 A F - 0 0 34 -2,-0.5 2,-2.2 1,-0.1 3,-0.2 -0.355 24.2-125.2 -57.9 122.5 10.4 -11.3 -15.4 39 40 A P > + 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.365 47.1 156.7 -70.9 65.5 14.2 -10.5 -15.0 40 41 A W H > S+ 0 0 118 -2,-2.2 4,-2.8 1,-0.2 5,-0.2 0.906 73.1 57.4 -57.8 -41.9 15.7 -13.3 -17.0 41 42 A D H > S+ 0 0 74 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 112.2 39.6 -53.8 -50.5 18.8 -11.2 -17.6 42 43 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.844 112.2 56.3 -70.7 -34.9 19.4 -10.8 -13.8 43 44 A V H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.963 109.8 46.6 -60.3 -49.2 18.4 -14.4 -13.0 44 45 A R H X S+ 0 0 148 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.914 113.9 47.9 -57.8 -45.6 21.0 -15.7 -15.5 45 46 A K H < S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 113.5 46.8 -65.9 -36.4 23.7 -13.3 -14.0 46 47 A L H ><>S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 5,-1.7 0.871 106.4 58.8 -72.8 -37.4 22.8 -14.3 -10.4 47 48 A A H ><5S+ 0 0 15 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.863 95.7 62.4 -58.3 -36.8 22.9 -18.0 -11.3 48 49 A E T 3<5S+ 0 0 143 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.644 102.7 53.3 -62.6 -14.1 26.5 -17.5 -12.5 49 50 A F T < 5S- 0 0 106 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.219 117.9-113.6 -97.8 -3.0 27.1 -16.6 -8.8 50 51 A G T X 5S+ 0 0 21 -3,-2.4 3,-1.2 67,-0.1 13,-0.3 0.748 74.3 137.5 68.2 21.4 25.5 -19.8 -7.5 51 52 A V G > < + 0 0 8 -5,-1.7 3,-0.9 1,-0.2 -4,-0.2 0.831 68.7 53.1 -66.6 -31.9 22.7 -17.7 -5.9 52 53 A F G 3 S+ 0 0 0 64,-0.3 66,-0.3 1,-0.2 -1,-0.2 0.339 116.0 39.6 -87.5 7.7 20.1 -20.3 -7.1 53 54 A G G < S+ 0 0 0 -3,-1.2 10,-2.5 63,-0.2 11,-0.7 -0.001 75.2 131.2-138.6 25.3 22.0 -23.1 -5.4 54 55 A A S < S+ 0 0 0 -3,-0.9 11,-3.0 1,-0.3 -2,-0.1 0.871 82.1 31.8 -47.8 -48.3 23.1 -21.2 -2.3 55 56 A L S S+ 0 0 30 9,-0.2 -1,-0.3 -4,-0.2 7,-0.1 0.568 95.4 105.2 -91.2 -11.5 21.9 -24.0 0.1 56 57 A V S S- 0 0 0 -3,-0.5 8,-2.3 1,-0.1 9,-0.2 -0.575 79.9-110.8 -73.8 126.8 22.7 -26.9 -2.3 57 58 A P > > - 0 0 47 0, 0.0 5,-2.3 0, 0.0 3,-1.6 -0.116 21.7-116.6 -51.9 149.6 25.8 -28.8 -1.2 58 59 A E G > 5S+ 0 0 151 1,-0.3 3,-2.0 3,-0.2 -2,-0.1 0.821 112.7 69.4 -59.8 -30.9 28.8 -28.5 -3.5 59 60 A A G 3 5S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.716 103.8 42.7 -60.2 -21.6 28.6 -32.3 -4.2 60 61 A Y G < 5S- 0 0 37 -3,-1.6 -1,-0.3 52,-0.1 56,-0.2 0.229 132.0 -91.2-107.5 10.2 25.4 -31.6 -6.1 61 62 A G T < 5S+ 0 0 53 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.621 87.0 126.3 95.3 12.2 26.7 -28.5 -7.9 62 63 A G S - 0 0 51 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.381 26.3-115.1 -76.4 161.4 25.2 -21.7 5.4 67 68 A T H > S+ 0 0 11 241,-0.3 4,-2.6 1,-0.2 5,-0.2 0.872 116.4 57.4 -63.5 -36.2 21.7 -20.6 6.2 68 69 A R H > S+ 0 0 26 240,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.943 108.6 43.5 -58.2 -51.2 23.0 -17.6 7.9 69 70 A L H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 113.5 51.6 -64.3 -40.2 24.9 -16.3 4.9 70 71 A F H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 107.7 52.6 -62.5 -43.1 22.0 -17.1 2.5 71 72 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.950 108.6 49.8 -56.4 -48.5 19.6 -15.2 4.7 72 73 A R H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.843 109.3 52.9 -58.6 -34.7 21.9 -12.1 4.7 73 74 A M H X S+ 0 0 15 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.857 107.7 50.8 -69.2 -35.5 22.1 -12.4 0.8 74 75 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.885 109.3 50.8 -66.9 -38.4 18.3 -12.4 0.6 75 76 A E H X S+ 0 0 23 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.929 110.8 49.5 -62.4 -43.2 18.2 -9.3 2.8 76 77 A A H X S+ 0 0 7 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.894 113.1 45.8 -61.7 -42.9 20.7 -7.6 0.5 77 78 A I H >X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 3,-1.7 0.963 110.7 52.4 -63.5 -50.6 18.8 -8.6 -2.6 78 79 A A H 3< S+ 0 0 0 -4,-2.9 4,-0.2 1,-0.3 -1,-0.2 0.794 97.2 68.8 -54.2 -32.7 15.5 -7.4 -1.1 79 80 A Y H 3< S+ 0 0 56 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.849 117.1 22.9 -55.2 -35.0 17.1 -4.1 -0.2 80 81 A Y H << S+ 0 0 50 -3,-1.7 2,-0.3 -4,-0.7 -2,-0.2 0.744 138.6 15.2-105.3 -32.9 17.2 -3.3 -4.0 81 82 A D X - 0 0 7 -4,-2.9 4,-2.1 -5,-0.1 -1,-0.2 -0.769 51.3-170.3-150.2 105.3 14.5 -5.6 -5.5 82 83 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.897 90.9 53.1 -56.8 -46.1 11.7 -7.3 -3.5 83 84 A A H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 109.8 47.8 -59.6 -41.6 10.5 -9.4 -6.5 84 85 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.892 110.0 54.3 -65.5 -39.2 14.1 -10.7 -7.2 85 86 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.926 110.3 44.8 -59.5 -47.1 14.4 -11.5 -3.5 86 87 A L H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.920 112.6 52.8 -63.0 -42.6 11.2 -13.6 -3.4 87 88 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.954 116.1 39.4 -54.9 -51.2 12.3 -15.3 -6.7 88 89 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.922 118.0 47.4 -65.1 -48.0 15.7 -16.2 -5.1 89 90 A A H X S+ 0 0 1 -4,-3.2 4,-3.0 -5,-0.2 5,-0.3 0.932 113.8 44.9 -62.2 -50.3 14.4 -17.1 -1.6 90 91 A S H X>S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.2 5,-0.6 0.926 111.7 54.0 -61.1 -44.8 11.5 -19.3 -2.7 91 92 A H H <>S+ 0 0 0 -4,-1.7 5,-1.8 -5,-0.4 6,-0.4 0.953 117.3 35.6 -52.3 -54.7 13.6 -21.1 -5.3 92 93 A N H <>S+ 0 0 1 -4,-2.1 5,-0.9 4,-0.2 -2,-0.2 0.934 125.8 38.7 -66.3 -48.9 16.3 -22.1 -2.8 93 94 A S H <5S+ 0 0 11 -4,-3.0 154,-0.2 -5,-0.2 -3,-0.2 0.887 122.8 29.8 -72.1 -45.4 14.0 -22.6 0.3 94 95 A L T X5S+ 0 0 11 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.947 127.6 17.4 -86.5 -84.7 10.9 -24.4 -1.2 95 96 A A H >S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.5 0.924 110.8 45.1 -69.6 -45.0 12.2 -29.8 -0.3 99 100 A I H X5S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.897 113.6 50.6 -64.1 -40.1 14.2 -32.1 -2.7 100 101 A L H <5S+ 0 0 47 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.855 115.9 43.8 -64.2 -34.6 17.4 -31.6 -0.7 101 102 A L H <5S+ 0 0 94 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.949 133.3 11.2 -76.0 -54.5 15.4 -32.5 2.5 102 103 A A H <5S+ 0 0 23 -4,-2.9 129,-0.5 -5,-0.1 -3,-0.2 0.568 96.5 114.0-104.7 -11.9 13.4 -35.5 1.5 103 104 A G << - 0 0 8 -4,-1.7 127,-0.1 -5,-0.5 -4,-0.0 -0.271 63.7-120.8 -67.0 145.0 14.8 -36.5 -1.9 104 105 A S > - 0 0 57 1,-0.1 4,-2.4 127,-0.1 5,-0.2 -0.214 36.0 -95.9 -71.6 172.8 16.7 -39.8 -2.4 105 106 A E H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.887 126.5 49.6 -57.5 -40.2 20.3 -39.9 -3.6 106 107 A A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 110.8 47.4 -65.2 -48.3 19.0 -40.4 -7.2 107 108 A Q H > S+ 0 0 17 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.903 111.6 51.9 -59.8 -42.2 16.5 -37.5 -7.2 108 109 A K H X S+ 0 0 44 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.884 110.6 47.2 -62.8 -39.1 19.1 -35.2 -5.6 109 110 A E H < S+ 0 0 114 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.803 117.5 45.2 -69.9 -28.6 21.6 -36.0 -8.4 110 111 A A H < S+ 0 0 44 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.882 127.6 21.1 -81.4 -42.8 18.9 -35.5 -11.0 111 112 A F H >X S+ 0 0 14 -4,-3.3 4,-2.0 -5,-0.1 3,-0.8 0.906 112.5 61.9 -93.1 -54.8 17.3 -32.3 -9.7 112 113 A L H 3X S+ 0 0 0 -4,-0.7 4,-2.8 -5,-0.5 5,-0.2 0.821 99.5 56.9 -45.0 -45.6 19.7 -30.4 -7.5 113 114 A P H 3> S+ 0 0 49 0, 0.0 4,-1.1 0, 0.0 6,-0.3 0.926 112.9 39.5 -53.3 -46.4 22.4 -29.9 -10.3 114 115 A K H <4 S+ 0 0 84 -3,-0.8 6,-2.1 -4,-0.3 5,-0.4 0.794 117.8 48.4 -76.5 -30.1 20.0 -28.1 -12.6 115 116 A L H >< S+ 0 0 0 -4,-2.0 3,-0.7 4,-0.2 -1,-0.2 0.908 110.5 51.1 -73.7 -43.6 18.3 -26.1 -9.8 116 117 A A H 3< S+ 0 0 3 -4,-2.8 -64,-0.3 -5,-0.3 -2,-0.2 0.775 111.1 47.8 -64.9 -29.9 21.6 -25.0 -8.3 117 118 A S T 3< S- 0 0 55 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.574 111.0-120.3 -86.6 -11.5 22.9 -23.7 -11.7 118 119 A G S < S+ 0 0 16 -3,-0.7 3,-0.2 -4,-0.4 -3,-0.2 0.374 81.0 124.2 89.4 -8.6 19.7 -21.9 -12.4 119 120 A E S S+ 0 0 146 -5,-0.4 2,-0.4 -6,-0.3 -4,-0.2 0.778 84.0 28.8 -54.5 -25.4 19.3 -24.0 -15.5 120 121 A A S S- 0 0 8 -6,-2.1 -2,-0.3 -7,-0.1 2,-0.3 -0.958 80.0-146.8-140.6 118.5 15.9 -24.8 -13.9 121 122 A L - 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0 0 32 1,-0.1 3,-2.5 4,-0.1 -83,-0.0 -0.371 360.0 -96.1 -74.4 156.1 25.4 -21.0 20.4 390 4 B W T 3 S+ 0 0 40 1,-0.3 4,-0.1 -2,-0.1 -1,-0.1 0.811 124.0 48.6 -39.5 -48.9 26.2 -17.3 21.1 391 5 B F T 3 S+ 0 0 12 2,-0.1 -1,-0.3 -85,-0.0 2,-0.2 0.617 102.7 77.2 -73.3 -12.3 22.7 -16.4 22.2 392 6 B E S < S- 0 0 52 -3,-2.5 2,-0.4 1,-0.1 0, 0.0 -0.513 98.8 -88.1 -93.5 165.9 22.5 -19.4 24.6 393 7 B E - 0 0 52 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.608 47.8-135.1 -74.8 124.8 24.1 -19.6 28.0 394 8 B G > - 0 0 22 -2,-0.4 4,-2.4 -4,-0.1 5,-0.2 -0.060 28.8 -93.3 -70.7 179.0 27.6 -21.0 27.6 395 9 B A H > S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.931 128.8 45.1 -59.2 -46.4 29.1 -23.7 29.8 396 10 B E H > S+ 0 0 156 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.907 111.3 53.1 -64.8 -43.9 30.6 -21.1 32.1 397 11 B E H >> S+ 0 0 21 1,-0.2 4,-3.3 2,-0.2 3,-0.6 0.930 110.9 44.1 -59.7 -49.5 27.4 -19.0 32.2 398 12 B R H 3X S+ 0 0 148 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.722 105.2 61.6 -72.4 -19.8 25.1 -21.8 33.3 399 13 B Q H 3< S+ 0 0 151 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.794 117.1 33.2 -73.4 -25.3 27.5 -23.2 35.9 400 14 B V H S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.844 117.0 60.2 -68.8 -29.1 23.0 -22.4 41.4 404 18 B F H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.937 106.1 46.5 -62.1 -45.1 22.4 -18.6 41.3 405 19 B R H X S+ 0 0 70 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.884 110.8 52.7 -64.3 -38.3 18.8 -19.2 40.1 406 20 B E H X S+ 0 0 115 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.924 109.7 48.6 -62.8 -44.2 18.4 -21.9 42.8 407 21 B F H X>S+ 0 0 27 -4,-2.7 4,-3.0 1,-0.2 5,-0.6 0.919 111.9 49.8 -60.9 -44.0 19.5 -19.5 45.5 408 22 B L H X>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-1.7 0.913 110.1 49.7 -61.8 -45.1 17.1 -16.9 44.1 409 23 B K H <5S+ 0 0 98 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.901 120.6 35.7 -60.8 -42.4 14.1 -19.2 44.0 410 24 B A H <5S+ 0 0 72 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.829 131.9 22.8 -83.5 -34.3 14.7 -20.4 47.6 411 25 B E H <5S+ 0 0 85 -4,-3.0 -3,-0.2 -5,-0.2 4,-0.2 0.698 129.8 31.1-108.9 -22.7 15.9 -17.2 49.3 412 26 B V T >< S+ 0 0 16 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 0.321 88.3 98.8-101.7 11.0 9.7 -12.6 50.5 416 30 B A H <> S+ 0 0 4 -3,-1.3 4,-1.8 -4,-0.4 -1,-0.2 0.923 84.9 47.1 -61.8 -47.2 9.2 -10.6 47.3 417 31 B A H > S+ 0 0 40 -4,-0.5 4,-0.9 -3,-0.2 -1,-0.2 0.901 114.8 47.3 -62.2 -41.6 5.5 -10.1 47.7 418 32 B E H >> S+ 0 0 107 -4,-0.3 4,-3.0 1,-0.2 3,-1.1 0.941 109.4 51.9 -66.2 -48.3 6.0 -9.0 51.4 419 33 B R H 3X S+ 0 0 20 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.853 105.4 57.4 -57.6 -33.6 8.8 -6.6 50.6 420 34 B D H 3< S+ 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.808 114.3 38.9 -66.6 -28.2 6.6 -5.1 48.0 421 35 B R H << S+ 0 0 162 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.852 126.6 32.0 -88.2 -40.7 4.0 -4.4 50.7 422 36 B T H < S- 0 0 82 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.766 86.2-142.1 -89.6 -30.2 6.4 -3.4 53.6 423 37 B G < + 0 0 14 -4,-2.4 2,-0.5 -5,-0.4 -4,-0.1 0.614 40.2 164.5 76.0 9.8 9.2 -1.7 51.6 424 38 B A - 0 0 55 -6,-0.2 -1,-0.3 1,-0.1 174,-0.1 -0.493 41.1-121.6 -66.9 114.4 11.6 -3.3 54.1 425 39 B F - 0 0 33 -2,-0.5 2,-2.2 1,-0.1 3,-0.3 -0.351 21.1-123.4 -58.4 127.9 15.1 -3.2 52.6 426 40 B P > + 0 0 6 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.366 48.3 155.9 -73.8 62.9 16.5 -6.7 52.3 427 41 B W H > S+ 0 0 138 -2,-2.2 4,-1.7 1,-0.2 -2,-0.0 0.871 74.6 59.4 -56.4 -33.9 19.7 -6.3 54.4 428 42 B D H > S+ 0 0 101 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.910 108.7 40.7 -60.0 -45.8 19.6 -10.0 54.9 429 43 B L H > S+ 0 0 5 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.788 106.5 63.4 -75.9 -29.5 19.7 -10.8 51.2 430 44 B V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.952 102.2 51.0 -59.1 -49.7 22.4 -8.2 50.4 431 45 B R H X S+ 0 0 161 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.918 114.0 43.8 -52.8 -49.3 24.9 -10.0 52.6 432 46 B K H X S+ 0 0 61 -4,-1.1 4,-0.6 1,-0.2 3,-0.4 0.864 112.5 51.0 -67.4 -39.0 24.2 -13.3 50.9 433 47 B L H ><>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-1.2 0.848 99.7 65.3 -68.2 -33.3 24.2 -11.9 47.4 434 48 B A H ><5S+ 0 0 18 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.863 94.3 61.1 -55.9 -36.5 27.6 -10.1 48.0 435 49 B E H 3<5S+ 0 0 134 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.808 97.8 55.9 -61.4 -31.6 29.1 -13.6 48.4 436 50 B F T <<5S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.416 121.4-112.5 -80.5 3.4 28.1 -14.4 44.8 437 51 B G T X 5S+ 0 0 15 -3,-1.9 3,-1.3 -4,-0.2 13,-0.3 0.669 75.4 140.4 73.8 17.7 30.1 -11.3 43.9 438 52 B V T 3 < + 0 0 0 -5,-1.8 3,-0.2 1,-0.2 -4,-0.2 0.728 66.5 50.5 -65.7 -23.9 26.9 -9.6 42.9 439 53 B F T 3 S+ 0 0 0 64,-0.4 66,-0.3 -5,-0.2 -1,-0.2 0.396 123.4 28.5 -97.6 5.9 27.8 -6.3 44.4 440 54 B G S X S+ 0 0 0 -3,-1.3 10,-1.9 63,-0.1 3,-0.8 0.038 78.8 137.5-147.6 23.6 31.2 -6.1 42.7 441 55 B A T 3 S+ 0 0 0 1,-0.3 11,-2.7 -3,-0.2 -2,-0.1 0.797 80.2 31.5 -42.6 -47.7 30.4 -8.1 39.6 442 56 B L T 3 S+ 0 0 41 9,-0.2 -1,-0.3 -4,-0.1 7,-0.1 0.603 95.6 103.9 -92.5 -12.9 32.2 -5.8 37.2 443 57 B V S < S- 0 0 1 -3,-0.8 8,-2.6 5,-0.1 9,-0.2 -0.507 81.3-112.5 -69.2 130.2 34.9 -4.7 39.6 444 58 B P > > - 0 0 46 0, 0.0 3,-2.5 0, 0.0 5,-1.2 -0.385 19.6-118.2 -66.9 145.1 38.2 -6.4 38.8 445 59 B E G > 5S+ 0 0 153 1,-0.3 3,-2.7 3,-0.3 -2,-0.1 0.797 110.3 73.1 -49.8 -33.5 39.4 -8.9 41.4 446 60 B A G 3 5S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.772 104.5 39.0 -54.9 -26.9 42.5 -6.8 41.9 447 61 B Y G < 5S- 0 0 38 -3,-2.5 -1,-0.3 52,-0.1 56,-0.2 0.181 135.7 -86.1-108.2 14.9 40.3 -4.3 43.7 448 62 B G T < 5S+ 0 0 48 -3,-2.7 -3,-0.3 1,-0.2 2,-0.2 0.761 87.9 127.4 88.7 28.4 38.3 -7.0 45.5 449 63 B G S - 0 0 49 1,-0.1 4,-1.9 -2,-0.0 5,-0.2 -0.380 25.6-113.4 -84.1 167.0 31.9 -9.8 32.1 454 68 B T H > S+ 0 0 8 241,-0.3 4,-2.8 1,-0.2 5,-0.2 0.907 116.5 56.2 -65.9 -39.9 29.1 -7.4 31.3 455 69 B R H > S+ 0 0 19 240,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.926 109.1 43.3 -57.4 -51.4 27.2 -10.2 29.5 456 70 B L H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 115.0 49.2 -64.8 -41.8 27.2 -12.5 32.6 457 71 B F H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.919 108.0 54.6 -63.9 -42.9 26.3 -9.7 35.0 458 72 B A H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.920 109.8 47.2 -56.4 -44.0 23.5 -8.6 32.7 459 73 B R H X S+ 0 0 17 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.848 109.3 53.9 -67.4 -32.6 22.1 -12.1 32.8 460 74 B M H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.861 107.6 50.9 -68.7 -34.7 22.4 -12.2 36.6 461 75 B V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.895 108.8 51.4 -68.0 -38.8 20.4 -9.0 36.8 462 76 B E H X S+ 0 0 23 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.903 109.5 50.3 -64.5 -40.5 17.7 -10.5 34.6 463 77 B A H X S+ 0 0 12 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.897 112.2 47.3 -65.1 -40.2 17.5 -13.5 36.9 464 78 B I H >X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-1.9 0.978 109.4 51.7 -64.4 -54.5 17.2 -11.3 39.9 465 79 B A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 98.2 68.9 -50.7 -34.3 14.5 -9.1 38.4 466 80 B Y H 3< S+ 0 0 57 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.843 116.7 22.4 -55.4 -36.4 12.5 -12.3 37.5 467 81 B Y H << S+ 0 0 43 -3,-1.9 2,-0.3 -4,-0.7 -2,-0.2 0.724 139.0 16.1-105.3 -26.9 11.9 -12.8 41.3 468 82 B D X - 0 0 7 -4,-2.7 4,-1.8 -5,-0.1 -1,-0.2 -0.790 52.1-170.3-153.8 106.5 12.3 -9.4 42.8 469 83 B G H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.913 90.3 51.9 -61.2 -45.5 12.3 -6.1 40.8 470 84 B A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 109.1 49.7 -59.8 -44.8 13.5 -3.9 43.7 471 85 B L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 109.7 52.5 -62.7 -37.9 16.5 -6.1 44.5 472 86 B A H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.879 109.7 47.6 -66.0 -40.9 17.5 -6.1 40.8 473 87 B L H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.898 110.7 53.6 -63.4 -40.3 17.4 -2.3 40.7 474 88 B T H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.953 116.4 37.8 -56.8 -48.8 19.4 -2.3 43.9 475 89 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.956 117.1 49.6 -68.9 -50.7 22.0 -4.5 42.3 476 90 B A H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.913 116.5 41.1 -55.8 -48.2 21.9 -2.9 38.9 477 91 B S H X>S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 5,-0.5 0.937 112.2 54.2 -67.8 -47.9 22.2 0.7 40.1 478 92 B H H <>S+ 0 0 0 -4,-1.9 5,-1.7 -5,-0.4 6,-0.3 0.932 117.8 36.7 -50.7 -51.3 24.8 -0.1 42.8 479 93 B N H <>S+ 0 0 4 -4,-2.4 5,-1.3 -5,-0.2 -2,-0.2 0.925 123.4 40.2 -69.2 -47.1 27.1 -1.8 40.3 480 94 B S H <5S+ 0 0 12 -4,-2.6 154,-0.2 -5,-0.3 -3,-0.2 0.876 122.5 26.9 -73.6 -43.5 26.5 0.6 37.3 481 95 B L T X5S+ 0 0 14 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.942 127.6 21.9 -89.5 -80.7 26.3 4.0 38.7 482 96 B A H > - 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