==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-AUG-13 4M0C . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR K.TAN,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR STRUC . 422 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.6 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 42 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 0 0 0 2 0 2 2 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 1 3 2 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 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 137 0, 0.0 2,-0.6 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 141.0 -2.5 -19.9 -20.9 2 2 A N E +a 39 0A 77 36,-0.6 38,-2.0 90,-0.1 2,-0.4 -0.925 360.0 157.8-116.0 112.3 -2.5 -18.3 -17.5 3 3 A K E -a 40 0A 37 -2,-0.6 90,-2.3 36,-0.2 91,-1.4 -0.998 26.3-152.9-137.0 135.3 0.8 -17.9 -15.8 4 4 A T E -ab 41 94A 0 36,-2.7 38,-3.2 -2,-0.4 2,-0.5 -0.935 10.7-158.8-106.6 128.2 2.0 -15.5 -13.0 5 5 A L E -ab 42 95A 0 89,-3.3 91,-2.4 -2,-0.5 2,-0.6 -0.942 2.4-156.3-111.4 120.2 5.6 -14.6 -12.9 6 6 A I E -ab 43 96A 2 36,-3.4 38,-2.9 -2,-0.5 2,-0.8 -0.847 3.6-163.8 -94.3 121.2 7.1 -13.2 -9.6 7 7 A I E -ab 44 97A 0 89,-3.6 91,-2.2 -2,-0.6 2,-1.0 -0.859 7.5-164.2-108.0 96.8 10.2 -11.1 -10.2 8 8 A N E +ab 45 98A 3 36,-2.3 38,-2.2 -2,-0.8 39,-0.5 -0.717 15.9 172.6 -89.2 103.8 11.8 -10.9 -6.7 9 9 A A + 0 0 0 89,-2.4 101,-0.2 -2,-1.0 -1,-0.1 0.061 37.8 119.0 -98.3 25.1 14.3 -8.1 -6.8 10 10 A H > - 0 0 11 3,-0.2 3,-2.1 89,-0.2 37,-0.3 -0.826 59.5-144.6 -98.3 127.1 15.1 -8.1 -3.1 11 11 A P T 3 S+ 0 0 2 0, 0.0 257,-0.6 0, 0.0 -1,-0.1 0.778 102.0 55.0 -55.2 -31.9 18.8 -8.9 -2.1 12 12 A K T > S- 0 0 17 1,-0.2 2,-2.2 255,-0.1 3,-1.2 0.528 87.6-167.2 -81.4 -8.1 17.6 -10.8 1.0 13 13 A V T < S+ 0 0 7 -3,-2.1 -1,-0.2 1,-0.3 -3,-0.2 -0.302 72.7 5.9 62.1 -73.3 15.4 -13.0 -1.2 14 14 A D T 3 S+ 0 0 101 -2,-2.2 2,-0.5 -3,-0.1 -1,-0.3 0.298 88.5 129.0-125.6 5.5 13.2 -14.8 1.4 15 15 A D X - 0 0 66 -3,-1.2 3,-1.4 1,-0.2 6,-0.2 -0.533 45.8-154.9 -70.9 117.6 14.2 -13.1 4.7 16 16 A T T 3 S+ 0 0 72 -2,-0.5 -1,-0.2 1,-0.3 6,-0.1 0.459 82.9 83.6 -77.6 0.3 10.9 -12.0 6.4 17 17 A S T 3 S+ 0 0 67 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.806 76.9 91.9 -64.5 -26.1 12.7 -9.3 8.4 18 18 A S S <> S- 0 0 10 -3,-1.4 4,-2.2 1,-0.1 5,-0.2 -0.470 73.8-144.6 -73.9 133.5 12.2 -7.3 5.1 19 19 A V H > S+ 0 0 39 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.947 100.3 47.7 -61.7 -47.9 9.0 -5.1 4.8 20 20 A S H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 111.3 50.2 -68.9 -33.4 8.6 -5.8 1.1 21 21 A I H > S+ 0 0 2 -6,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.916 110.9 49.7 -67.8 -42.8 9.1 -9.5 1.4 22 22 A K H X S+ 0 0 77 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 112.8 47.3 -55.3 -51.1 6.4 -9.7 4.2 23 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.940 113.5 48.3 -58.2 -47.0 4.0 -7.7 2.1 24 24 A F H X S+ 0 0 9 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.924 110.1 51.2 -59.4 -44.4 4.8 -10.0 -0.9 25 25 A K H X S+ 0 0 80 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.890 110.4 49.0 -64.9 -34.9 4.3 -13.1 1.2 26 26 A H H X S+ 0 0 38 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.915 111.0 50.9 -68.7 -40.9 1.0 -11.8 2.4 27 27 A F H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.955 110.2 49.6 -53.9 -51.4 0.1 -11.1 -1.3 28 28 A L H X S+ 0 0 22 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.866 107.3 54.8 -59.0 -40.8 1.0 -14.6 -2.2 29 29 A E H X S+ 0 0 109 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.948 113.9 39.6 -55.5 -54.8 -1.1 -16.1 0.6 30 30 A S H X S+ 0 0 16 -4,-2.0 4,-0.8 2,-0.2 3,-0.3 0.905 114.3 54.3 -64.0 -44.4 -4.2 -14.3 -0.6 31 31 A Y H >X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-1.1 0.917 106.9 49.2 -58.6 -47.7 -3.5 -14.9 -4.3 32 32 A K H 3< S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.6 58.5 -67.4 -23.6 -3.1 -18.6 -4.0 33 33 A E H 3< S+ 0 0 156 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.773 116.1 36.2 -68.8 -23.6 -6.4 -18.9 -2.1 34 34 A L H << S+ 0 0 85 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.692 94.5 90.6-110.5 -25.7 -8.1 -17.3 -5.0 35 35 A I S < S- 0 0 32 -4,-1.9 176,-0.1 1,-0.1 2,-0.1 -0.163 73.5-103.8 -73.5 169.9 -6.6 -18.5 -8.3 36 36 A S > - 0 0 79 175,-0.1 3,-0.8 1,-0.1 -1,-0.1 -0.287 24.4-113.2 -84.0 172.7 -7.6 -21.5 -10.4 37 37 A N T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.663 118.7 64.5 -75.0 -17.1 -5.9 -24.9 -10.7 38 38 A N T 3 S+ 0 0 79 2,-0.1 2,-0.7 -37,-0.0 -36,-0.6 0.446 85.0 93.1 -83.4 -0.3 -5.3 -23.8 -14.3 39 39 A E E < -a 2 0A 32 -3,-0.8 2,-0.3 -38,-0.1 -36,-0.2 -0.848 60.2-163.3-102.6 115.1 -3.1 -21.0 -13.0 40 40 A T E -a 3 0A 62 -38,-2.0 -36,-2.7 -2,-0.7 2,-0.4 -0.675 4.0-152.9 -91.9 149.4 0.6 -21.6 -12.7 41 41 A I E -a 4 0A 52 -2,-0.3 2,-0.3 -38,-0.2 -36,-0.2 -0.985 12.4-178.0-124.9 124.0 3.0 -19.5 -10.7 42 42 A E E -a 5 0A 60 -38,-3.2 -36,-3.4 -2,-0.4 2,-0.4 -0.875 6.4-161.7-115.6 154.8 6.7 -19.1 -11.4 43 43 A Q E -a 6 0A 70 -2,-0.3 2,-0.5 -38,-0.2 -36,-0.2 -0.998 8.5-166.0-137.8 134.8 9.3 -17.1 -9.5 44 44 A I E -a 7 0A 2 -38,-2.9 -36,-2.3 -2,-0.4 2,-0.9 -0.988 12.8-151.1-118.5 124.9 12.7 -15.7 -10.3 45 45 A N E >> -a 8 0A 30 -2,-0.5 4,-3.3 -38,-0.2 3,-2.4 -0.816 4.7-160.0 -95.0 103.9 14.9 -14.5 -7.5 46 46 A L T 34 S+ 0 0 2 -38,-2.2 5,-0.2 -2,-0.9 -1,-0.2 0.712 90.7 44.6 -60.1 -22.6 17.2 -11.8 -9.0 47 47 A Y T 34 S+ 0 0 36 -39,-0.5 -1,-0.3 -37,-0.3 221,-0.2 0.259 124.3 32.5-105.4 11.0 19.7 -12.1 -6.1 48 48 A D T <4 S+ 0 0 112 -3,-2.4 -2,-0.2 1,-0.1 2,-0.1 0.596 108.1 62.7-129.5 -36.8 19.8 -15.9 -6.1 49 49 A D S < S- 0 0 63 -4,-3.3 2,-0.6 1,-0.1 -1,-0.1 -0.443 98.2 -86.7 -88.4 164.6 19.2 -17.2 -9.6 50 50 A V + 0 0 102 -2,-0.1 -1,-0.1 -3,-0.1 -3,-0.1 -0.626 48.7 171.4 -77.1 116.2 21.6 -16.5 -12.5 51 51 A V - 0 0 6 -2,-0.6 62,-0.1 -5,-0.2 61,-0.1 -0.872 26.5-140.3-127.1 97.0 20.7 -13.2 -14.1 52 52 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 63,-0.1 -0.258 11.4-143.0 -63.1 139.1 23.3 -12.2 -16.7 53 53 A X - 0 0 57 1,-0.1 2,-0.7 62,-0.0 5,-0.2 -0.610 31.3 -93.4 -93.0 159.4 24.4 -8.6 -16.9 54 54 A I + 0 0 6 -2,-0.2 2,-0.2 4,-0.1 266,-0.1 -0.662 67.0 148.9 -69.4 116.5 25.2 -6.8 -20.1 55 55 A D > - 0 0 47 -2,-0.7 4,-2.4 169,-0.0 5,-0.2 -0.754 63.7 -74.7-135.6-174.9 29.0 -7.2 -20.3 56 56 A K H > S+ 0 0 92 167,-0.7 4,-2.7 -2,-0.2 5,-0.2 0.868 128.4 52.0 -49.9 -45.6 31.7 -7.5 -23.1 57 57 A T H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.923 110.6 46.4 -63.4 -46.2 30.7 -11.1 -23.8 58 58 A V H > S+ 0 0 0 -5,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 114.3 47.7 -62.1 -43.2 27.0 -10.3 -24.2 59 59 A L H X S+ 0 0 29 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.900 113.6 48.5 -67.5 -38.7 27.8 -7.3 -26.5 60 60 A S H X S+ 0 0 43 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.921 111.8 49.0 -63.2 -46.4 30.2 -9.4 -28.5 61 61 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.926 111.3 49.3 -60.1 -46.0 27.7 -12.2 -28.8 62 62 A W H X S+ 0 0 83 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.801 109.4 53.2 -65.9 -28.9 25.0 -9.8 -29.9 63 63 A E H >X S+ 0 0 87 -4,-1.6 4,-1.3 -5,-0.2 3,-1.0 0.947 110.9 45.7 -67.7 -48.9 27.4 -8.3 -32.5 64 64 A K H 3X>S+ 0 0 40 -4,-2.4 4,-3.4 1,-0.3 5,-2.1 0.870 106.0 58.8 -63.5 -40.0 28.1 -11.7 -34.0 65 65 A Q H 3<5S+ 0 0 103 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.703 106.0 51.8 -63.8 -18.4 24.4 -12.7 -34.1 66 66 A G H <<5S+ 0 0 67 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.814 116.1 37.6 -84.7 -35.4 24.0 -9.6 -36.3 67 67 A N H <5S- 0 0 109 -4,-1.3 -2,-0.2 -3,-0.1 -3,-0.2 0.767 110.7-120.6 -81.2 -29.1 26.7 -10.7 -38.7 68 68 A G T <5 + 0 0 66 -4,-3.4 -3,-0.2 -5,-0.2 -4,-0.1 0.764 60.7 149.5 87.7 30.0 25.8 -14.3 -38.4 69 69 A Q < - 0 0 95 -5,-2.1 2,-0.3 1,-0.1 -1,-0.2 -0.318 53.1 -83.4 -84.8 176.2 29.2 -15.4 -37.2 70 70 A E - 0 0 86 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.603 39.8-133.8 -83.4 140.3 30.0 -18.2 -34.8 71 71 A L - 0 0 40 -2,-0.3 2,-0.0 1,-0.1 -10,-0.0 -0.722 16.5-121.4 -92.4 141.8 29.7 -17.8 -31.1 72 72 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.343 34.9-102.8 -68.7 162.8 32.3 -18.9 -28.6 73 73 A R H > S+ 0 0 209 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.838 125.3 51.9 -57.1 -32.1 31.2 -21.4 -25.9 74 74 A E H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 109.0 48.0 -70.5 -42.6 31.1 -18.5 -23.4 75 75 A E H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 112.5 50.1 -67.3 -38.3 28.9 -16.4 -25.7 76 76 A Q H X S+ 0 0 106 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.919 109.5 51.1 -62.1 -47.0 26.6 -19.3 -26.3 77 77 A K H X S+ 0 0 153 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.925 114.8 40.5 -61.8 -47.8 26.3 -20.1 -22.6 78 78 A V H X S+ 0 0 25 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.899 115.5 50.0 -72.1 -38.3 25.4 -16.5 -21.5 79 79 A T H X S+ 0 0 14 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.895 108.5 54.7 -66.8 -36.2 23.1 -15.8 -24.5 80 80 A E H X S+ 0 0 111 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.933 107.8 48.2 -60.8 -45.4 21.2 -19.1 -23.8 81 81 A R H X S+ 0 0 55 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.933 110.8 51.3 -60.7 -42.8 20.5 -18.1 -20.2 82 82 A X H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.842 107.0 54.4 -64.7 -33.1 19.3 -14.7 -21.3 83 83 A S H X S+ 0 0 55 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.887 106.4 51.6 -65.2 -39.1 17.0 -16.4 -23.8 84 84 A E H X S+ 0 0 93 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.895 110.3 48.6 -62.4 -42.2 15.5 -18.5 -21.0 85 85 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.904 113.1 47.6 -66.0 -40.8 14.8 -15.3 -18.9 86 86 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.959 114.1 45.5 -64.1 -52.0 13.2 -13.6 -21.9 87 87 A Q H X S+ 0 0 92 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.868 110.9 53.5 -62.6 -37.6 11.0 -16.5 -22.9 88 88 A Q H < S+ 0 0 38 -4,-2.3 4,-0.5 -5,-0.2 3,-0.2 0.940 110.8 48.1 -59.5 -44.9 10.0 -17.0 -19.2 89 89 A F H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.924 112.1 47.5 -61.4 -45.2 9.0 -13.4 -19.1 90 90 A K H 3< S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.729 103.2 65.2 -68.8 -21.0 7.0 -13.6 -22.4 91 91 A S T 3< S+ 0 0 47 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.2 0.631 92.6 77.0 -76.8 -14.4 5.3 -16.7 -21.1 92 92 A A < - 0 0 2 -3,-1.2 -88,-0.2 -4,-0.5 3,-0.1 -0.723 49.8-174.0-101.1 149.4 3.5 -14.9 -18.3 93 93 A N S S+ 0 0 44 -90,-2.3 47,-1.8 -2,-0.3 2,-0.4 0.369 78.9 52.8-116.5 1.4 0.4 -12.6 -18.4 94 94 A T E -bc 4 140A 3 -91,-1.4 -89,-3.3 45,-0.2 2,-0.4 -0.989 69.0-171.4-133.9 130.2 0.6 -11.5 -14.7 95 95 A Y E -bc 5 141A 0 45,-3.0 47,-2.4 -2,-0.4 2,-0.4 -0.948 10.8-169.7-124.1 139.3 3.7 -10.1 -13.2 96 96 A V E -bc 6 142A 0 -91,-2.4 -89,-3.6 -2,-0.4 2,-0.5 -0.968 7.5-167.6-127.8 115.7 4.6 -9.2 -9.6 97 97 A I E -bc 7 143A 0 45,-2.6 47,-3.7 -2,-0.4 2,-0.5 -0.896 2.5-166.9-103.6 128.4 7.8 -7.2 -8.9 98 98 A V E +bc 8 144A 0 -91,-2.2 -89,-2.4 -2,-0.5 47,-0.2 -0.959 20.0 153.1-115.9 126.1 9.1 -7.0 -5.4 99 99 A L E - c 0 145A 0 45,-2.7 47,-1.7 -2,-0.5 2,-0.3 -0.998 39.1-134.7-150.9 147.6 11.8 -4.5 -4.5 100 100 A P E - c 0 146A 8 0, 0.0 2,-0.8 0, 0.0 47,-0.2 -0.686 39.0-114.1 -85.5 154.5 13.2 -2.4 -1.6 101 101 A L + 0 0 22 45,-2.1 2,-0.5 -2,-0.3 47,-0.3 -0.846 40.3 175.7 -94.3 112.6 13.9 1.2 -2.6 102 102 A H B > -E 105 0B 42 -2,-0.8 3,-0.7 3,-0.7 225,-0.1 -0.959 67.4 -18.8-117.7 113.4 17.7 1.8 -2.4 103 103 A N T 3 S- 0 0 34 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.882 113.1 -68.2 58.4 43.9 19.0 5.2 -3.5 104 104 A F T 3 S+ 0 0 23 1,-0.1 58,-0.9 58,-0.0 2,-0.3 0.641 113.0 73.5 62.5 25.4 16.0 6.3 -5.6 105 105 A N B < S-E 102 0B 2 -3,-0.7 -3,-0.7 57,-0.2 58,-0.2 -0.922 90.1 -70.4-154.4 174.9 16.2 3.8 -8.4 106 106 A I - 0 0 3 -2,-0.3 5,-0.1 56,-0.1 -5,-0.1 -0.345 62.0 -90.5 -69.7 153.3 15.7 0.1 -9.2 107 107 A P >> - 0 0 2 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.351 38.4-114.4 -59.1 148.8 18.1 -2.5 -7.6 108 108 A S H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.1 0.876 116.8 53.9 -55.9 -39.9 21.1 -3.2 -9.9 109 109 A K H 3> S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.808 104.6 55.3 -67.5 -25.4 20.0 -6.8 -10.5 110 110 A L H <> S+ 0 0 0 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.856 105.1 53.0 -73.2 -32.9 16.6 -5.5 -11.6 111 111 A K H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.931 107.8 50.5 -64.1 -43.0 18.4 -3.4 -14.2 112 112 A D H X S+ 0 0 5 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.937 109.4 52.6 -57.2 -42.7 20.2 -6.5 -15.4 113 113 A Y H >X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-1.3 0.936 107.3 49.6 -60.6 -48.6 16.7 -8.2 -15.5 114 114 A X H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.864 106.3 58.6 -53.4 -38.3 15.3 -5.3 -17.7 115 115 A D H 3< S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.702 107.7 46.9 -67.9 -21.0 18.4 -5.8 -19.9 116 116 A N H << S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.740 117.9 39.2 -86.5 -29.5 17.3 -9.4 -20.5 117 117 A I H < S+ 0 0 0 -4,-1.4 2,-1.2 -3,-0.2 -2,-0.2 0.639 94.7 78.8-104.9 -14.6 13.7 -8.7 -21.2 118 118 A X < + 0 0 8 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 -0.753 64.9 155.1 -93.2 89.9 13.7 -5.6 -23.4 119 119 A I >>> - 0 0 40 -2,-1.2 4,-2.4 -3,-0.0 3,-2.1 -0.971 46.2-113.4-127.7 126.5 14.8 -7.2 -26.6 120 120 A A B 345S+f 124 0C 21 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.240 102.6 12.3 -58.2 142.7 14.1 -5.8 -30.1 121 121 A R T 345S+ 0 0 205 3,-2.1 -1,-0.3 1,-0.1 4,-0.2 0.356 126.2 64.2 68.7 -3.7 11.7 -8.0 -32.2 122 122 A E T <45S- 0 0 68 -3,-2.1 -2,-0.2 2,-0.5 -1,-0.1 0.788 123.4 -0.6-113.0 -50.7 10.8 -9.9 -29.0 123 123 A T T <5S+ 0 0 0 -4,-2.4 11,-3.0 1,-0.4 12,-0.6 0.488 137.9 11.3-118.2 -12.0 9.1 -7.5 -26.5 124 124 A F E < -fG 120 133C 15 -5,-1.1 -3,-2.1 9,-0.3 -2,-0.5 -0.955 66.3-152.7-150.4 165.3 9.2 -4.3 -28.7 125 125 A K E - G 0 132C 100 7,-2.6 7,-2.7 -2,-0.3 2,-0.2 -0.985 21.7-111.8-138.6 154.0 10.1 -3.4 -32.3 126 126 A Y E - G 0 131C 161 -2,-0.3 5,-0.3 5,-0.3 2,-0.3 -0.505 36.6-174.8 -75.8 150.3 11.5 -0.4 -34.1 127 127 A T - 0 0 48 3,-2.6 0, 0.0 -2,-0.2 0, 0.0 -0.886 42.7 -96.8-138.9 168.0 9.1 1.4 -36.5 128 128 A E S S+ 0 0 207 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.926 127.6 42.0 -52.0 -47.7 9.4 4.3 -39.0 129 129 A T S S- 0 0 145 -3,-0.1 -1,-0.2 1,-0.0 2,-0.1 0.869 133.6 -77.3 -70.3 -39.1 8.1 6.7 -36.3 130 130 A G S S- 0 0 17 -5,-0.1 -3,-2.6 2,-0.0 2,-0.3 -0.435 74.1 -38.6-179.2 -98.3 10.2 5.2 -33.5 131 131 A S E -G 126 0C 29 -5,-0.3 2,-0.3 -2,-0.1 -5,-0.3 -0.969 43.8-161.2-153.0 159.7 9.5 2.0 -31.6 132 132 A V E -G 125 0C 45 -7,-2.7 -7,-2.6 -2,-0.3 42,-0.1 -0.996 24.6-108.4-149.4 142.8 6.5 0.2 -30.2 133 133 A G E -G 124 0C 5 40,-0.8 -9,-0.3 -2,-0.3 3,-0.2 -0.316 14.6-158.2 -70.3 155.4 5.8 -2.5 -27.5 134 134 A L S S+ 0 0 68 -11,-3.0 2,-0.2 40,-0.2 -10,-0.2 0.348 76.6 80.7-114.2 4.8 4.8 -6.0 -28.5 135 135 A L + 0 0 3 39,-3.1 4,-0.4 -12,-0.6 2,-0.4 -0.316 49.8 129.7-107.1 48.9 3.2 -7.1 -25.3 136 136 A K + 0 0 123 -2,-0.2 -1,-0.1 1,-0.2 39,-0.1 -0.274 31.8 110.5 -96.9 47.2 -0.2 -5.4 -25.8 137 137 A D S S- 0 0 96 -2,-0.4 -1,-0.2 -44,-0.0 39,-0.1 -0.207 99.5 -81.4-117.1 40.5 -2.3 -8.4 -25.0 138 138 A G S S+ 0 0 66 37,-0.3 -2,-0.1 1,-0.2 38,-0.1 0.821 71.1 164.2 70.8 35.7 -3.9 -7.4 -21.7 139 139 A R - 0 0 24 -4,-0.4 39,-0.8 36,-0.2 2,-0.4 -0.387 23.1-143.8 -81.4 164.4 -1.1 -8.3 -19.3 140 140 A R E -cd 94 178A 56 -47,-1.8 -45,-3.0 37,-0.1 2,-0.4 -0.989 10.6-165.2-134.9 139.8 -1.0 -7.0 -15.7 141 141 A X E -cd 95 179A 0 37,-2.6 39,-1.9 -2,-0.4 2,-0.4 -0.968 5.1-169.4-126.6 140.7 1.7 -5.9 -13.3 142 142 A L E -cd 96 180A 0 -47,-2.4 -45,-2.6 -2,-0.4 2,-0.5 -0.998 10.0-161.2-122.4 124.0 1.8 -5.4 -9.6 143 143 A V E -cd 97 181A 0 37,-3.5 39,-3.6 -2,-0.4 2,-0.6 -0.934 1.1-164.4-105.9 128.5 4.9 -3.7 -8.1 144 144 A I E +cd 98 182A 0 -47,-3.7 -45,-2.7 -2,-0.5 2,-0.4 -0.955 17.6 173.1-111.7 113.2 5.5 -4.0 -4.4 145 145 A Q E -cd 99 183A 0 37,-2.6 39,-2.4 -2,-0.6 2,-0.4 -0.979 18.9-160.1-126.9 125.6 8.0 -1.5 -3.2 146 146 A A E +cd 100 184A 11 -47,-1.7 -45,-2.1 -2,-0.4 2,-0.3 -0.825 19.9 174.7 -99.5 143.9 9.1 -0.7 0.4 147 147 A S E - d 0 185A 3 37,-2.0 40,-2.3 -2,-0.4 39,-0.5 -0.995 38.6-136.4-148.5 149.0 10.7 2.7 1.1 148 148 A G S S+ 0 0 30 -47,-0.3 40,-1.8 -2,-0.3 41,-0.4 0.887 91.2 51.9 -70.8 -39.2 12.0 4.7 4.1 149 149 A G S S- 0 0 15 37,-0.2 37,-1.8 38,-0.1 2,-0.5 -0.284 88.2-108.0 -93.0 178.4 10.4 7.9 2.8 150 150 A I - 0 0 36 35,-0.2 3,-0.3 36,-0.1 8,-0.2 -0.937 26.1-178.2-111.3 128.7 7.0 8.9 1.6 151 151 A Y + 0 0 11 -2,-0.5 3,-0.3 1,-0.2 10,-0.1 0.267 66.6 74.1-112.1 11.6 6.5 9.5 -2.2 152 152 A T + 0 0 72 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.137 69.8 85.5-113.8 19.2 2.8 10.5 -2.4 153 153 A N S S- 0 0 104 -3,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.188 96.6-120.2-101.7 14.4 3.0 14.0 -1.0 154 154 A D S S+ 0 0 142 -3,-0.3 2,-0.2 1,-0.1 -2,-0.1 0.917 72.3 114.0 43.4 63.6 4.0 15.6 -4.4 155 155 A D S > S- 0 0 63 -4,-0.1 4,-2.0 0, 0.0 -1,-0.1 -0.533 87.7 -58.1-134.4-159.6 7.3 17.0 -3.3 156 156 A W H > S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.906 132.3 57.6 -57.8 -42.2 11.0 16.5 -4.1 157 157 A Y H >> S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.937 105.3 49.8 -52.3 -49.4 10.7 12.9 -3.0 158 158 A T H >4 S+ 0 0 24 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.939 108.1 54.9 -55.7 -45.3 8.0 12.3 -5.6 159 159 A D H 3< S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 112.5 41.4 -62.3 -26.4 10.3 13.9 -8.3 160 160 A V H << S+ 0 0 3 -4,-1.4 2,-2.9 -3,-0.7 3,-0.3 0.287 74.6 115.4-108.9 11.6 13.2 11.5 -7.5 161 161 A E + 0 0 24 -2,-2.9 4,-2.8 -58,-0.9 5,-0.3 0.759 59.4 67.0 -66.9 -23.0 13.0 7.0 -10.3 163 163 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.952 110.3 34.2 -58.8 -52.0 12.3 3.4 -9.4 164 164 A H H > S+ 0 0 30 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.939 118.1 52.5 -70.3 -49.1 8.6 3.7 -9.9 165 165 A K H X S+ 0 0 69 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.898 113.6 44.6 -53.9 -44.4 8.8 6.2 -12.7 166 166 A Y H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.943 113.5 47.6 -66.8 -50.6 11.2 4.0 -14.7 167 167 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.932 115.2 45.9 -59.6 -45.5 9.3 0.7 -14.1 168 168 A K H X S+ 0 0 93 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.908 114.9 47.3 -64.6 -40.1 6.0 2.2 -15.1 169 169 A A H X S+ 0 0 19 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.920 115.4 45.5 -67.7 -41.8 7.5 4.0 -18.2 170 170 A X H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.954 117.8 40.6 -66.8 -53.1 9.3 0.8 -19.3 171 171 A F H X>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 4,-1.1 0.875 112.5 54.6 -67.2 -37.9 6.4 -1.6 -18.9 172 172 A N H ><5S+ 0 0 51 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.934 109.3 51.4 -56.2 -44.1 3.8 0.8 -20.2 173 173 A F H 3<5S+ 0 0 27 -4,-1.9 -40,-0.8 -5,-0.2 -2,-0.2 0.934 104.8 53.3 -58.4 -49.7 6.1 1.0 -23.3 174 174 A L H 3<5S- 0 0 0 -4,-2.1 -39,-3.1 -41,-0.2 -1,-0.2 0.721 131.7 -91.8 -61.0 -20.7 6.3 -2.8 -23.8 175 175 A G T <<5S+ 0 0 4 -4,-1.1 2,-1.2 -3,-0.6 -37,-0.3 0.364 86.7 128.7 126.9 -2.0 2.5 -2.8 -23.7 176 176 A I < + 0 0 0 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.717 15.9 154.9 -88.9 95.8 1.6 -3.4 -20.1 177 177 A E + 0 0 136 -2,-1.2 2,-1.4 -38,-0.2 -1,-0.2 0.597 52.8 84.3 -96.4 -18.0 -0.9 -0.7 -19.3 178 178 A D E +d 140 0A 68 -39,-0.8 -37,-2.6 -3,-0.2 2,-0.4 -0.737 67.3 155.1 -85.4 93.1 -2.6 -2.5 -16.4 179 179 A Y E +d 141 0A 34 -2,-1.4 2,-0.4 -39,-0.2 -37,-0.2 -0.976 22.3 176.4-129.0 133.7 -0.1 -1.4 -13.8 180 180 A Q E -d 142 0A 50 -39,-1.9 -37,-3.5 -2,-0.4 2,-0.5 -1.000 10.2-162.5-135.8 134.7 -0.4 -1.0 -10.0 181 181 A I E -d 143 0A 21 -2,-0.4 2,-0.6 -39,-0.2 -37,-0.2 -0.972 5.1-158.4-112.8 133.1 2.3 -0.1 -7.4 182 182 A V E -d 144 0A 0 -39,-3.6 -37,-2.6 -2,-0.5 2,-0.8 -0.955 12.8-156.5-104.0 118.3 1.8 -0.8 -3.8 183 183 A R E -d 145 0A 54 -2,-0.6 2,-2.0 -39,-0.2 -37,-0.2 -0.847 14.7-166.9-100.9 106.9 4.1 1.4 -1.8 184 184 A A E +d 146 0A 1 -39,-2.4 -37,-2.0 -2,-0.8 3,-0.3 -0.633 43.5 169.0 -80.7 77.8 4.9 0.1 1.7 185 185 A Q E +d 147 0A 36 -2,-2.0 -35,-0.2 -39,-0.2 -37,-0.2 -0.566 33.9 38.4-105.6 157.6 6.3 3.6 2.3 186 186 A G >> + 0 0 0 -37,-1.8 4,-3.3 -39,-0.5 3,-1.9 0.730 56.3 149.7 82.9 23.5 7.5 5.7 5.3 187 187 A T T 34 S+ 0 0 62 -40,-2.3 -39,-0.2 -3,-0.3 -38,-0.1 0.758 77.7 47.7 -59.7 -22.3 9.2 2.8 7.1 188 188 A A T 34 S+ 0 0 84 -40,-1.8 -1,-0.3 -41,-0.2 -39,-0.1 0.487 123.8 30.6 -93.2 -3.0 11.6 5.4 8.5 189 189 A V T <4 S+ 0 0 109 -3,-1.9 2,-0.2 -41,-0.4 -2,-0.2 0.647 109.4 61.3-127.9 -27.5 8.9 7.9 9.5 190 190 A L S < S- 0 0 74 -4,-3.3 -1,-0.1 1,-0.1 -4,-0.0 -0.686 88.8 -84.6-112.3 159.1 5.7 5.9 10.5 191 191 A D > - 0 0 104 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.334 36.8-128.2 -52.3 131.5 4.7 3.3 13.0 192 192 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.850 110.6 57.0 -51.3 -38.5 5.5 -0.3 11.7 193 193 A T H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 107.5 46.2 -60.1 -43.8 1.9 -1.2 12.4 194 194 A E H > S+ 0 0 61 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.925 113.8 47.1 -68.8 -47.3 0.5 1.5 10.1 195 195 A V H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.963 118.1 40.8 -56.7 -56.3 2.9 0.8 7.3 196 196 A L H X S+ 0 0 29 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.913 112.9 52.1 -62.6 -48.5 2.4 -2.9 7.3 197 197 A Q H X S+ 0 0 128 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.896 112.5 47.6 -58.3 -38.2 -1.4 -2.9 7.9 198 198 A N H X S+ 0 0 71 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.899 113.9 45.7 -70.9 -38.3 -1.9 -0.5 5.0 199 199 A A H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.882 111.8 51.5 -72.6 -37.3 0.3 -2.5 2.6 200 200 A Y H X S+ 0 0 61 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.917 110.5 49.6 -61.6 -45.1 -1.3 -5.8 3.6 201 201 A K H X S+ 0 0 103 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.957 112.1 48.5 -57.3 -51.2 -4.8 -4.3 2.9 202 202 A E H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.933 111.9 45.8 -59.4 -49.6 -3.6 -3.1 -0.5 203 203 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.780 108.1 59.2 -68.6 -21.9 -2.0 -6.4 -1.7 204 204 A E H X S+ 0 0 80 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.893 108.7 44.5 -64.6 -41.1 -5.1 -8.2 -0.4 205 205 A E H X S+ 0 0 119 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.904 112.9 51.4 -68.3 -42.0 -7.2 -6.0 -2.8 206 206 A A H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.932 107.4 52.4 -61.4 -46.7 -4.6 -6.6 -5.6 207 207 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.945 111.4 47.4 -53.4 -51.6 -4.8 -10.4 -5.1 208 208 A S H X S+ 0 0 59 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.888 115.0 45.9 -53.8 -45.8 -8.6 -10.3 -5.4 209 209 A R H >< S+ 0 0 77 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.964 114.7 46.0 -65.8 -49.3 -8.3 -8.1 -8.5 210 210 A L H 3< S+ 0 0 2 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.758 105.7 60.8 -67.5 -26.1 -5.6 -10.1 -10.2 211 211 A A H 3< 0 0 22 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.618 360.0 360.0 -79.4 -14.7 -7.3 -13.5 -9.5 212 212 A N << 0 0 160 -3,-1.1 -177,-0.0 -4,-0.6 -178,-0.0 -0.670 360.0 360.0 -78.9 360.0 -10.5 -12.6 -11.5 213 !* 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 0.0 214 2 B N 0 0 125 0, 0.0 38,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.0 43.9 18.3 -6.7 215 3 B K E -h 252 0D 16 88,-0.3 90,-2.0 36,-0.2 91,-1.1 -0.930 360.0-152.2-133.0 141.7 42.5 15.2 -8.3 216 4 B T E -hi 253 306D 0 36,-2.7 38,-3.0 -2,-0.4 2,-0.5 -0.927 16.2-157.1-107.8 134.8 40.2 14.1 -11.2 217 5 B L E -hi 254 307D 1 89,-3.0 91,-2.4 -2,-0.4 2,-0.6 -0.959 0.9-157.3-116.4 119.6 38.3 10.8 -11.0 218 6 B I E -hi 255 308D 1 36,-3.3 38,-2.8 -2,-0.5 2,-0.7 -0.847 3.4-163.1 -95.7 122.4 37.2 9.0 -14.1 219 7 B I E -hi 256 309D 0 89,-4.0 91,-2.2 -2,-0.6 2,-0.9 -0.905 7.3-163.0-107.1 103.9 34.3 6.6 -13.5 220 8 B N E +hi 257 310D 3 36,-3.0 38,-1.7 -2,-0.7 39,-0.5 -0.773 17.4 171.3 -96.8 102.4 34.1 4.3 -16.5 221 9 B A + 0 0 0 89,-2.5 101,-0.2 -2,-0.9 100,-0.1 0.056 37.8 119.8 -98.6 24.5 30.7 2.6 -16.6 222 10 B H > - 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