==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-13 4LTD . COMPND 2 MOLECULE: NADH-DEPENDENT FMN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EDTA-DEGRADING BACTERIUM BNC1; . AUTHOR M.S.NISSEN,B.YOUN,B.D.KNOWLES,J.W.BALLINGER,S.JUN,S.M.BELCHI . 187 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 1 0 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 T 0 0 116 0, 0.0 33,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 100.9 53.0 -32.3 -15.1 2 3 A Y E -a 34 0A 44 31,-2.6 33,-2.6 68,-0.0 2,-0.6 -0.578 360.0-140.2 -93.4 149.1 52.9 -28.6 -14.3 3 4 A S E -a 35 0A 36 -2,-0.2 67,-3.1 31,-0.2 68,-1.6 -0.952 22.9-171.6-107.0 118.4 52.5 -25.6 -16.6 4 5 A I E -ab 36 71A 0 31,-2.6 33,-1.8 -2,-0.6 2,-0.5 -0.926 1.8-170.2-112.2 129.4 54.7 -22.7 -15.5 5 6 A V E -ab 37 72A 1 66,-2.4 68,-2.5 -2,-0.5 2,-0.4 -0.979 7.2-158.5-123.5 125.1 54.4 -19.3 -17.2 6 7 A A E -ab 38 73A 0 31,-2.9 33,-3.3 -2,-0.5 2,-0.4 -0.832 5.7-166.6 -94.3 139.4 56.8 -16.4 -16.7 7 8 A I E -ab 39 74A 0 66,-3.4 68,-2.8 -2,-0.4 2,-0.4 -0.975 5.7-173.4-124.5 114.8 55.5 -12.9 -17.4 8 9 A S E -ab 40 75A 4 31,-2.3 33,-2.2 -2,-0.4 34,-0.4 -0.910 7.7-170.1-113.2 138.1 58.2 -10.2 -17.6 9 10 A G + 0 0 0 66,-2.2 78,-0.5 -2,-0.4 77,-0.2 0.004 32.9 132.2-122.9 28.5 57.2 -6.5 -18.0 10 11 A S - 0 0 9 1,-0.1 32,-0.4 76,-0.1 5,-0.1 -0.597 45.2-150.8 -75.4 142.0 60.3 -4.4 -18.8 11 12 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.365 71.3 91.8 -91.6 6.5 59.8 -2.0 -21.7 12 13 A S S > S- 0 0 60 1,-0.0 3,-0.6 2,-0.0 2,-0.2 -0.750 78.2-119.9-101.3 148.5 63.6 -2.3 -22.5 13 14 A R T 3 S+ 0 0 174 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.549 97.9 20.6 -80.3 151.2 65.3 -4.6 -24.8 14 15 A N T 3 S- 0 0 138 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.911 92.7-172.7 57.1 45.4 67.9 -7.0 -23.3 15 16 A S <> - 0 0 14 -3,-0.6 4,-1.6 1,-0.1 -1,-0.2 -0.452 34.9-143.4 -78.0 140.1 66.3 -6.4 -19.9 16 17 A T H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 104.4 61.7 -59.4 -37.9 67.9 -7.8 -16.7 17 18 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 103.0 47.9 -54.7 -48.5 64.3 -8.4 -15.6 18 19 A A H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 110.8 51.6 -61.7 -41.3 63.7 -10.8 -18.5 19 20 A K H X S+ 0 0 80 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.839 109.9 49.6 -63.5 -35.6 67.0 -12.6 -17.7 20 21 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 112.4 47.2 -69.5 -42.9 66.0 -13.0 -14.0 21 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.911 112.7 49.3 -64.5 -41.8 62.6 -14.4 -15.0 22 23 A E H X S+ 0 0 89 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.932 109.4 51.9 -64.0 -45.9 64.2 -16.8 -17.5 23 24 A Y H X S+ 0 0 55 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.929 112.3 46.5 -51.4 -49.1 66.7 -17.9 -14.8 24 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.890 110.9 51.7 -64.6 -40.2 63.8 -18.6 -12.5 25 26 A L H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.930 112.6 45.4 -65.2 -44.1 61.8 -20.4 -15.1 26 27 A A H X S+ 0 0 53 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.864 109.4 55.7 -63.6 -37.5 64.7 -22.7 -15.9 27 28 A H H < S+ 0 0 13 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.931 110.5 45.2 -65.4 -43.1 65.5 -23.3 -12.3 28 29 A V H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.932 112.0 49.9 -64.9 -49.2 61.9 -24.6 -11.7 29 30 A L H >< S+ 0 0 57 -4,-2.2 3,-0.6 1,-0.3 5,-0.4 0.807 105.8 58.0 -62.8 -31.5 61.8 -26.7 -14.8 30 31 A A T 3< S+ 0 0 78 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.625 115.0 36.9 -70.7 -12.3 65.1 -28.4 -13.9 31 32 A R T < S+ 0 0 122 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.264 116.5 42.1-128.7 7.1 63.7 -29.5 -10.6 32 33 A S S < S- 0 0 28 -3,-0.6 2,-1.8 -4,-0.4 -1,-0.0 -0.971 89.6 -94.8-149.4 163.3 60.1 -30.5 -11.3 33 34 A D S S+ 0 0 103 -2,-0.3 -31,-2.6 -3,-0.1 2,-0.3 -0.601 78.9 134.6 -79.6 82.6 58.0 -32.2 -13.9 34 35 A S E -a 2 0A 22 -2,-1.8 2,-0.3 -5,-0.4 -31,-0.2 -0.931 47.5-157.7-135.4 149.9 57.1 -29.0 -15.7 35 36 A Q E -a 3 0A 133 -33,-2.6 -31,-2.6 -2,-0.3 2,-0.3 -0.921 28.3-169.4-117.4 157.2 56.9 -27.3 -19.1 36 37 A G E -a 4 0A 37 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.926 21.7-165.6-141.9 162.4 57.1 -23.6 -19.4 37 38 A R E -a 5 0A 129 -33,-1.8 -31,-2.9 -2,-0.3 2,-0.5 -0.974 16.3-141.1-144.1 162.5 56.7 -20.4 -21.4 38 39 A H E -a 6 0A 28 -2,-0.3 2,-0.7 -33,-0.2 -31,-0.2 -0.946 9.3-157.1-128.1 105.8 57.9 -16.9 -21.0 39 40 A I E -a 7 0A 12 -33,-3.3 -31,-2.3 -2,-0.5 2,-0.8 -0.763 4.0-162.4 -83.6 114.0 55.6 -14.0 -22.1 40 41 A H E > -a 8 0A 62 -2,-0.7 3,-2.5 -33,-0.2 4,-0.3 -0.895 6.7-156.6 -95.3 107.6 57.6 -10.9 -22.8 41 42 A V G > S+ 0 0 1 -33,-2.2 3,-2.0 -2,-0.8 -1,-0.2 0.852 89.8 65.6 -59.4 -33.6 54.9 -8.2 -22.6 42 43 A I G 3 S+ 0 0 40 -32,-0.4 -1,-0.3 -34,-0.4 -33,-0.1 0.716 97.2 56.5 -55.8 -23.1 57.1 -6.0 -24.8 43 44 A D G < S+ 0 0 69 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.480 87.2 98.1 -93.7 -2.0 56.7 -8.5 -27.6 44 45 A L S < S- 0 0 11 -3,-2.0 3,-0.0 -4,-0.3 -5,-0.0 -0.509 94.5 -88.7 -80.9 156.7 52.9 -8.3 -27.6 45 46 A D > - 0 0 72 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 -0.542 37.8-147.0 -69.0 116.1 51.0 -6.1 -30.1 46 47 A P H > S+ 0 0 90 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 93.2 46.0 -57.6 -46.5 50.8 -2.7 -28.3 47 48 A K H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 6,-0.2 0.922 115.7 44.9 -62.2 -47.2 47.5 -1.6 -29.7 48 49 A A H >>S+ 0 0 3 2,-0.2 5,-2.3 1,-0.2 4,-0.8 0.898 113.8 51.9 -66.5 -37.4 45.8 -4.9 -29.1 49 50 A L H ><5S+ 0 0 5 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.971 110.5 45.7 -61.7 -55.3 47.3 -5.1 -25.6 50 51 A L H 3<5S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.788 119.4 42.1 -60.9 -28.1 46.1 -1.7 -24.5 51 52 A R H 3<5S- 0 0 184 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.475 106.9-122.3-100.6 -1.3 42.6 -2.3 -25.9 52 53 A G T <<5 + 0 0 29 -3,-1.1 2,-1.1 -4,-0.8 -3,-0.2 0.818 46.5 173.1 65.7 32.2 42.3 -5.9 -24.7 53 54 A D > < - 0 0 72 -5,-2.3 3,-1.3 -6,-0.2 -1,-0.2 -0.616 15.4-179.9 -81.3 98.4 41.7 -7.0 -28.3 54 55 A L T 3 + 0 0 76 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.302 69.7 83.8 -85.9 8.9 41.7 -10.8 -28.1 55 56 A S T 3 S+ 0 0 101 -7,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.624 71.7 91.8 -79.4 -17.8 41.1 -11.1 -31.9 56 57 A N S <> S- 0 0 38 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 -0.728 76.8-151.4 -73.3 114.7 44.9 -10.7 -31.9 57 58 A A H > S+ 0 0 59 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.905 90.0 50.7 -58.3 -48.3 46.0 -14.3 -31.8 58 59 A K H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 112.3 47.8 -64.7 -34.1 49.3 -13.9 -30.0 59 60 A L H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.924 112.0 48.8 -69.5 -46.9 47.6 -11.8 -27.2 60 61 A K H X S+ 0 0 93 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.881 110.2 52.6 -60.0 -37.3 44.8 -14.3 -26.8 61 62 A E H X S+ 0 0 105 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.913 108.9 49.2 -65.4 -41.8 47.4 -17.1 -26.6 62 63 A A H X S+ 0 0 5 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.897 113.3 47.0 -61.5 -43.7 49.3 -15.2 -23.9 63 64 A V H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.941 113.4 47.9 -63.3 -48.5 46.0 -14.8 -21.9 64 65 A D H X S+ 0 0 62 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.904 110.4 51.7 -58.1 -43.9 45.0 -18.4 -22.4 65 66 A A H X S+ 0 0 8 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.872 110.4 49.6 -62.8 -36.5 48.5 -19.6 -21.3 66 67 A T H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.953 111.0 47.9 -67.1 -48.7 48.3 -17.5 -18.1 67 68 A C H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 113.8 49.1 -63.4 -22.9 44.8 -18.8 -17.2 68 69 A N H 3< S+ 0 0 116 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.577 88.2 109.6 -95.2 -7.7 46.0 -22.3 -17.8 69 70 A A << - 0 0 1 -3,-1.0 -65,-0.2 -4,-0.8 3,-0.1 -0.270 54.8-156.4 -69.3 148.4 49.2 -22.1 -15.7 70 71 A D S S+ 0 0 53 -67,-3.1 33,-2.2 1,-0.3 2,-0.3 0.740 86.9 20.8 -87.1 -29.8 49.7 -23.9 -12.4 71 72 A G E -bc 4 103A 0 -68,-1.6 -66,-2.4 31,-0.2 2,-0.4 -1.000 68.8-155.9-139.0 140.1 52.4 -21.4 -11.4 72 73 A L E -bc 5 104A 1 31,-2.5 33,-2.3 -2,-0.3 2,-0.6 -0.961 5.8-156.3-116.2 137.2 53.2 -17.8 -12.6 73 74 A I E -bc 6 105A 0 -68,-2.5 -66,-3.4 -2,-0.4 2,-0.7 -0.944 17.7-165.7-105.9 117.5 56.5 -16.1 -12.4 74 75 A V E +bc 7 106A 0 31,-2.6 33,-2.6 -2,-0.6 2,-0.4 -0.899 10.6 177.7-116.7 108.9 55.8 -12.4 -12.4 75 76 A A E +bc 8 107A 0 -68,-2.8 -66,-2.2 -2,-0.7 33,-0.2 -0.893 6.5 157.9-122.4 136.1 58.8 -10.1 -13.1 76 77 A T E - c 0 108A 0 31,-1.8 33,-1.2 -2,-0.4 2,-0.2 -0.999 37.9-120.9-150.0 145.0 59.1 -6.3 -13.4 77 78 A P E - c 0 109A 2 0, 0.0 2,-0.7 0, 0.0 7,-0.4 -0.553 45.3-106.7 -72.6 157.9 61.6 -3.6 -13.2 78 79 A I + 0 0 15 31,-1.9 2,-0.4 -2,-0.2 33,-0.3 -0.824 43.8 177.2 -90.6 116.7 60.6 -1.0 -10.6 79 80 A Y B > -F 82 0B 93 3,-2.4 3,-1.3 -2,-0.7 31,-0.0 -0.985 67.7 -9.3-119.7 132.6 59.5 2.2 -12.3 80 81 A K T 3 S- 0 0 194 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.914 130.4 -54.0 46.3 48.5 58.1 5.2 -10.3 81 82 A A T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.662 125.6 53.7 66.9 21.8 58.1 3.1 -7.1 82 83 A S B < S-F 79 0B 27 -3,-1.3 -3,-2.4 40,-0.1 -1,-0.2 -0.889 96.8 -53.8-159.5-171.3 55.9 0.2 -8.5 83 84 A Y S S- 0 0 54 -2,-0.2 -5,-0.1 35,-0.2 -7,-0.1 -0.318 70.4 -87.3 -69.4 162.1 55.6 -2.4 -11.2 84 85 A T > - 0 0 3 -7,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.287 22.6-123.3 -70.7 154.4 55.6 -1.1 -14.8 85 86 A G H > S+ 0 0 61 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.896 113.7 59.9 -56.9 -40.8 52.6 0.2 -16.8 86 87 A L H > S+ 0 0 42 -77,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 106.8 43.9 -55.5 -47.0 53.5 -2.5 -19.4 87 88 A L H >> S+ 0 0 0 -78,-0.5 4,-2.3 1,-0.2 3,-0.5 0.960 115.0 48.4 -63.7 -50.9 53.2 -5.3 -16.9 88 89 A K H 3X S+ 0 0 53 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.864 103.3 61.6 -59.3 -39.1 50.0 -4.0 -15.4 89 90 A A H 3X S+ 0 0 14 -4,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.894 108.5 44.4 -54.8 -40.1 48.4 -3.5 -18.8 90 91 A F H XX S+ 0 0 0 -4,-1.3 3,-0.9 -3,-0.5 4,-0.8 0.955 112.6 49.5 -69.1 -50.0 48.8 -7.2 -19.3 91 92 A L H >< S+ 0 0 5 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.884 104.1 64.4 -54.1 -37.0 47.4 -8.1 -15.9 92 93 A D H 3< S+ 0 0 97 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 99.2 50.0 -58.9 -34.8 44.5 -5.7 -16.6 93 94 A I H << S+ 0 0 40 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.645 87.4 102.6 -84.3 -12.8 43.1 -7.7 -19.5 94 95 A L S << S- 0 0 12 -3,-1.0 5,-0.1 -4,-0.8 4,-0.0 -0.324 88.3 -84.1 -63.5 152.3 43.0 -11.1 -17.6 95 96 A P > - 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.121 47.7 -99.0 -53.1 157.3 39.7 -12.3 -16.3 96 97 A Q T 3 S+ 0 0 149 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.854 122.2 23.0 -51.1 -47.9 38.6 -10.9 -12.9 97 98 A F T > S+ 0 0 45 1,-0.1 3,-1.8 34,-0.1 -1,-0.3 -0.249 80.6 143.4-114.3 44.4 39.7 -14.0 -10.9 98 99 A A T < + 0 0 4 -3,-2.0 -1,-0.1 1,-0.3 33,-0.1 0.697 66.6 56.8 -55.4 -25.4 42.3 -15.2 -13.5 99 100 A L T > S+ 0 0 1 31,-2.0 3,-2.2 -3,-0.2 34,-0.9 0.383 70.9 136.7 -99.8 6.2 44.7 -16.4 -10.8 100 101 A A B < S+G 132 0C 3 -3,-1.8 32,-0.2 30,-0.5 80,-0.2 -0.221 78.4 9.8 -51.4 133.0 42.4 -18.8 -8.9 101 102 A G T 3 S+ 0 0 11 78,-2.7 -1,-0.3 30,-0.6 2,-0.2 0.248 105.0 123.0 81.4 -12.8 44.2 -22.0 -8.0 102 103 A K < - 0 0 20 -3,-2.2 32,-1.9 29,-0.2 31,-1.6 -0.545 54.4-141.1 -95.1 145.2 47.6 -20.6 -9.0 103 104 A A E -cd 71 134A 0 -33,-2.2 -31,-2.5 -2,-0.2 2,-0.3 -0.665 25.4-161.9 -87.0 156.4 50.9 -20.2 -7.2 104 105 A A E -cd 72 135A 1 30,-2.6 32,-2.2 -2,-0.3 -31,-0.2 -1.000 18.5-160.6-146.2 145.8 52.9 -17.1 -7.9 105 106 A L E -c 73 0A 0 -33,-2.3 -31,-2.6 -2,-0.3 2,-0.5 -0.962 15.6-151.0-126.9 110.7 56.5 -15.8 -7.5 106 107 A P E +c 74 0A 0 0, 0.0 33,-2.4 0, 0.0 2,-0.4 -0.718 19.9 176.8 -85.2 126.5 57.1 -12.0 -7.6 107 108 A L E +ce 75 139A 0 -33,-2.6 -31,-1.8 -2,-0.5 2,-0.3 -0.969 2.2 167.7-127.3 143.8 60.5 -10.9 -8.9 108 109 A A E -ce 76 140A 0 31,-2.0 33,-2.3 -2,-0.4 2,-0.3 -0.980 16.9-160.9-148.4 161.5 61.8 -7.4 -9.5 109 110 A T E +ce 77 141A 0 -33,-1.2 -31,-1.9 -2,-0.3 2,-0.3 -0.944 18.6 161.5-133.4 161.2 65.0 -5.5 -10.2 110 111 A G E - e 0 142A 2 31,-1.4 33,-3.1 -2,-0.3 34,-0.2 -0.975 48.8-103.0-166.8 171.4 65.9 -1.8 -9.8 111 112 A G S S+ 0 0 63 -2,-0.3 33,-0.2 -33,-0.3 -1,-0.1 0.840 101.7 37.9 -72.5 -35.0 68.7 0.7 -9.6 112 113 A S S > S- 0 0 46 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.933 71.5-131.0-124.5 143.3 68.5 1.1 -5.8 113 114 A P G > S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.652 100.7 82.9 -59.3 -12.7 67.8 -1.2 -2.8 114 115 A A G 3 S+ 0 0 83 1,-0.3 3,-0.4 2,-0.1 4,-0.0 0.726 82.2 62.3 -61.9 -21.1 65.3 1.5 -1.8 115 116 A H G X + 0 0 62 -3,-2.1 3,-1.6 1,-0.2 4,-0.4 0.351 69.6 106.0 -86.5 0.5 62.8 -0.1 -4.2 116 117 A V T X S+ 0 0 71 -3,-1.6 3,-1.0 1,-0.3 4,-0.4 0.880 76.0 52.5 -52.0 -43.5 62.7 -3.5 -2.4 117 118 A L T 3> S+ 0 0 104 -3,-0.4 4,-2.6 1,-0.2 5,-0.4 0.530 81.8 88.8 -77.6 -6.1 59.2 -2.9 -0.9 118 119 A A H <>>S+ 0 0 14 -3,-1.6 4,-1.9 1,-0.2 5,-1.3 0.851 87.2 54.3 -60.0 -32.9 57.4 -2.1 -4.2 119 120 A L H <4>S+ 0 0 1 -3,-1.0 5,-2.9 -4,-0.4 -1,-0.2 0.966 114.3 36.3 -62.9 -54.2 56.7 -5.8 -4.7 120 121 A D H 45S+ 0 0 72 -4,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.854 127.9 35.9 -72.5 -35.9 55.0 -6.5 -1.4 121 122 A Y H <5S+ 0 0 187 -4,-2.6 -3,-0.2 3,-0.1 -1,-0.2 0.788 133.0 23.8 -85.3 -29.1 53.2 -3.1 -1.2 122 123 A G T X5S+ 0 0 16 -4,-1.9 4,-0.8 -5,-0.4 -3,-0.2 0.893 128.4 29.5-103.3 -62.5 52.5 -2.7 -4.9 123 124 A L H > S+ 0 0 72 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.859 109.6 54.6 -59.8 -31.3 47.8 -6.6 -3.6 126 127 A V H X S+ 0 0 22 -4,-0.8 4,-0.6 -3,-0.5 3,-0.3 0.916 106.6 49.6 -67.5 -42.0 47.2 -6.7 -7.4 127 128 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.1 1,-0.2 3,-0.9 0.901 109.6 53.2 -61.6 -36.0 47.8 -10.5 -7.6 128 129 A H H ><5S+ 0 0 99 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.736 95.6 65.8 -75.7 -22.5 45.4 -11.0 -4.7 129 130 A S H 3<5S+ 0 0 75 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.752 99.0 57.5 -63.2 -22.7 42.6 -9.0 -6.4 130 131 A X T <<5S- 0 0 11 -3,-0.9 -31,-2.0 -4,-0.6 -30,-0.5 0.172 120.2-104.8 -99.7 16.9 42.7 -11.9 -9.0 131 132 A G T < 5 - 0 0 3 -3,-1.3 -30,-0.6 -32,-0.2 -3,-0.2 0.698 51.7-176.0 75.4 21.8 42.0 -14.7 -6.5 132 133 A V B < -G 100 0C 3 -5,-1.1 -32,-0.2 -32,-0.2 3,-0.2 -0.127 20.4-146.1 -56.3 144.0 45.5 -16.0 -6.5 133 134 A R S S- 0 0 56 -31,-1.6 2,-0.3 -34,-0.9 -30,-0.2 0.931 74.7 -0.9 -79.7 -47.1 46.0 -19.2 -4.5 134 135 A H E -d 103 0A 66 -32,-1.9 -30,-2.6 45,-0.1 2,-0.6 -0.854 53.8-172.7-155.3 107.5 49.5 -18.8 -3.1 135 136 A V E -d 104 0A 14 -2,-0.3 -30,-0.2 -32,-0.2 3,-0.1 -0.920 20.6-157.0 -99.1 117.8 52.0 -16.0 -3.6 136 137 A V - 0 0 4 -32,-2.2 26,-0.1 -2,-0.6 27,-0.0 -0.064 41.8 -47.3 -80.6-172.2 55.4 -16.9 -2.0 137 138 A Q - 0 0 80 1,-0.1 -1,-0.2 -32,-0.1 2,-0.2 -0.170 59.4-115.6 -58.7 149.4 58.1 -14.4 -0.9 138 139 A S - 0 0 28 -33,-0.1 2,-0.4 -3,-0.1 -31,-0.2 -0.528 23.3-155.2 -75.1 147.9 59.1 -11.5 -3.1 139 140 A F E -e 107 0A 9 -33,-2.4 -31,-2.0 -2,-0.2 2,-0.4 -0.990 11.8-177.7-125.8 132.1 62.6 -11.4 -4.5 140 141 A F E -e 108 0A 26 -2,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.975 4.3-166.8-123.1 137.2 64.2 -8.1 -5.5 141 142 A X E -e 109 0A 2 -33,-2.3 -31,-1.4 -2,-0.4 2,-0.3 -0.981 26.5-120.5-124.4 136.6 67.7 -7.6 -7.0 142 143 A V E -e 110 0A 32 -2,-0.4 4,-0.5 -33,-0.2 -31,-0.2 -0.556 32.6-128.8 -65.7 124.1 69.8 -4.5 -7.6 143 144 A Q S > S+ 0 0 66 -33,-3.1 2,-2.2 -2,-0.3 3,-1.1 0.814 101.5 63.1 -53.0 -44.6 70.4 -4.4 -11.4 144 145 A S T 3 S+ 0 0 121 -34,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.442 99.1 58.1 -77.7 64.5 74.1 -4.0 -11.2 145 146 A Q T 3 S+ 0 0 70 -2,-2.2 2,-0.5 1,-0.2 -1,-0.2 0.250 73.2 101.6-156.6 -31.3 74.5 -7.4 -9.5 146 147 A F < 0 0 42 -3,-1.1 -1,-0.2 -4,-0.5 5,-0.1 -0.536 360.0 360.0 -67.2 118.5 72.9 -9.8 -12.0 147 148 A S 0 0 89 -2,-0.5 3,-1.3 -3,-0.1 4,-0.1 -0.849 360.0 360.0-149.3 360.0 75.8 -11.5 -13.8 148 ! 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 0.0 149 154 A L 0 0 81 0, 0.0 2,-2.0 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 125.8 74.4 -17.0 -11.6 150 155 A A + 0 0 71 -3,-1.3 2,-0.3 6,-0.0 3,-0.0 -0.394 360.0 121.0 -79.5 60.5 77.6 -14.9 -11.2 151 156 A V S S- 0 0 21 -2,-2.0 -5,-0.1 -4,-0.1 5,-0.1 -0.836 74.1 -70.6-124.0 161.4 76.0 -13.1 -8.2 152 157 A E > - 0 0 95 -2,-0.3 4,-2.8 -7,-0.1 5,-0.2 -0.157 47.1-121.0 -47.1 139.7 76.9 -12.6 -4.5 153 158 A D H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.824 109.9 47.5 -61.1 -37.8 76.4 -15.8 -2.5 154 159 A D H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 113.6 48.1 -71.6 -39.3 73.8 -14.5 -0.1 155 160 A V H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 111.0 51.8 -64.7 -44.0 71.8 -12.9 -2.9 156 161 A A H X S+ 0 0 19 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.866 108.3 51.5 -60.7 -41.2 72.0 -16.2 -4.8 157 162 A S H X S+ 0 0 63 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.953 110.1 48.3 -60.7 -50.6 70.7 -18.1 -1.8 158 163 A Q H X S+ 0 0 124 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 113.9 46.4 -57.5 -46.5 67.7 -15.8 -1.3 159 164 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.956 114.5 46.5 -61.4 -53.6 66.8 -16.0 -5.0 160 165 A N H X S+ 0 0 41 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.866 111.0 53.1 -57.9 -38.5 67.1 -19.8 -5.2 161 166 A N H X S+ 0 0 89 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.903 108.5 50.3 -64.4 -40.0 65.2 -20.2 -1.9 162 167 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.941 113.5 44.7 -61.1 -47.5 62.3 -18.1 -3.4 163 168 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.922 112.0 53.0 -64.2 -46.6 62.2 -20.2 -6.5 164 169 A D H X S+ 0 0 42 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.933 110.7 47.1 -50.2 -51.4 62.5 -23.4 -4.5 165 170 A H H X S+ 0 0 71 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 109.9 53.4 -61.0 -42.8 59.5 -22.3 -2.4 166 171 A F H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.931 111.0 46.7 -55.5 -46.3 57.6 -21.4 -5.6 167 172 A R H >< S+ 0 0 54 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.910 111.7 50.4 -63.2 -43.6 58.2 -24.9 -7.0 168 173 A L H 3< S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 105.1 58.0 -65.5 -28.5 57.2 -26.6 -3.7 169 174 A S H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.658 80.7 113.9 -78.0 -15.2 54.0 -24.6 -3.6 170 175 A L << - 0 0 13 -3,-1.0 2,-0.5 -4,-0.6 -99,-0.1 -0.243 59.2-141.5 -57.8 141.3 52.9 -25.9 -7.0 171 176 A S + 0 0 20 -101,-0.2 -1,-0.1 -70,-0.2 -68,-0.1 -0.932 27.9 179.3-117.6 128.1 49.8 -28.1 -6.9 172 177 A S + 0 0 87 -2,-0.5 -1,-0.2 -170,-0.1 5,-0.1 0.955 59.0 99.2 -73.6 -59.7 49.0 -31.3 -8.8 173 178 A E > - 0 0 113 1,-0.1 3,-1.0 2,-0.1 4,-0.2 0.145 65.1-147.7 -33.1 125.1 45.5 -31.9 -7.2 174 179 A P G > S+ 0 0 89 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.704 94.6 76.1 -65.6 -18.7 42.4 -30.8 -9.0 175 180 A S G 3 S+ 0 0 90 1,-0.2 3,-0.3 2,-0.1 4,-0.1 0.729 94.6 48.4 -64.5 -22.4 41.0 -30.1 -5.6 176 181 A T G X S+ 0 0 24 -3,-1.0 3,-1.2 1,-0.2 -1,-0.2 0.463 78.9 103.3 -94.8 -2.4 43.0 -26.9 -5.3 177 182 A R T < S+ 0 0 155 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.686 90.9 33.1 -63.1 -19.0 42.1 -25.5 -8.7 178 183 A H T > S+ 0 0 38 -3,-0.3 3,-2.1 -4,-0.2 -1,-0.3 0.455 85.6 126.9-111.9 -5.7 39.7 -22.9 -7.3 179 184 A L T < + 0 0 86 -3,-1.2 -78,-2.7 1,-0.3 -77,-0.1 -0.284 69.6 35.0 -60.3 136.0 41.4 -22.1 -4.0 180 185 A G T 3 S+ 0 0 45 1,-0.4 -1,-0.3 -80,-0.2 -49,-0.1 0.008 89.3 114.5 102.9 -26.0 41.9 -18.4 -3.5 181 186 A H < - 0 0 16 -3,-2.1 -1,-0.4 1,-0.1 4,-0.1 -0.651 68.1-138.3 -75.0 131.5 38.7 -17.5 -5.3 182 187 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.741 100.6 26.1 -62.4 -23.9 36.2 -15.9 -2.9 183 188 A R S > S- 0 0 153 -5,-0.1 3,-2.6 1,-0.1 -2,-0.0 -0.619 72.6-176.9-142.0 76.7 33.3 -18.0 -4.4 184 189 A P G > S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.727 79.9 60.8 -51.8 -34.9 34.8 -21.2 -6.0 185 190 A S G 3 S+ 0 0 103 1,-0.3 3,-0.1 -4,-0.1 2,-0.0 0.671 91.0 70.1 -71.6 -15.2 31.5 -22.5 -7.4 186 191 A L G < S- 0 0 101 -3,-2.6 -1,-0.3 1,-0.3 2,-0.2 -0.126 117.6-104.9 -89.8 38.5 31.3 -19.4 -9.6 187 192 A D < 0 0 118 -3,-0.7 -1,-0.3 1,-0.2 -4,-0.1 -0.490 360.0 360.0 72.7-139.9 34.2 -20.8 -11.6 188 193 A A 0 0 38 -2,-0.2 -88,-0.2 -3,-0.1 -1,-0.2 -0.260 360.0 360.0-167.3 360.0 37.7 -19.3 -11.2