==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-07 2Z98 . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ITO . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.6 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 1 1 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 S 0 0 81 0, 0.0 35,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 170.6 5.8 49.1 24.7 2 2 A K E -a 36 0A 56 33,-0.2 80,-2.3 78,-0.1 81,-2.0 -0.943 360.0-158.9-128.9 130.3 9.5 48.8 24.6 3 3 A V E -ab 37 83A 0 33,-2.8 35,-2.9 -2,-0.4 2,-0.4 -0.933 1.4-160.8-120.4 126.0 11.3 46.2 22.5 4 4 A L E -ab 38 84A 0 79,-2.7 81,-3.2 -2,-0.5 2,-0.4 -0.974 5.4-162.7-103.7 125.6 15.0 45.1 23.2 5 5 A V E -ab 39 85A 0 33,-2.5 35,-2.8 -2,-0.4 2,-0.6 -0.977 0.7-163.7-114.5 122.4 16.9 43.3 20.4 6 6 A L E -ab 40 86A 1 79,-2.6 81,-3.1 -2,-0.4 2,-0.4 -0.953 3.8-165.6-111.5 109.0 20.0 41.3 21.2 7 7 A K E +a 41 0A 27 33,-2.6 35,-2.4 -2,-0.6 36,-0.2 -0.815 17.2 163.8 -89.8 139.6 22.2 40.5 18.2 8 8 A S + 0 0 0 -2,-0.4 90,-0.3 34,-0.2 91,-0.3 0.362 29.3 120.0-140.3 2.7 24.9 37.8 18.9 9 9 A S - 0 0 2 1,-0.1 3,-0.3 89,-0.1 34,-0.1 -0.328 50.5-151.0 -73.9 148.7 26.2 36.6 15.4 10 10 A I S S+ 0 0 96 1,-0.2 -1,-0.1 33,-0.1 0, 0.0 0.362 84.0 82.7 -99.2 10.7 29.9 37.0 14.6 11 11 A L S > S- 0 0 93 1,-0.3 3,-1.7 2,-0.1 -1,-0.2 0.309 76.9-158.8-103.3 3.9 29.1 37.2 10.8 12 12 A A G > S- 0 0 66 -3,-0.3 3,-1.9 1,-0.3 -1,-0.3 -0.148 71.8 -4.2 56.3-127.3 28.2 41.0 10.8 13 13 A G G 3 S+ 0 0 63 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.744 132.4 63.5 -84.3 -9.0 26.0 42.0 7.9 14 14 A Y G < S+ 0 0 203 -3,-1.7 -1,-0.3 4,-0.0 2,-0.3 0.459 78.2 122.3 -79.9 2.7 26.2 38.5 6.4 15 15 A S <> - 0 0 1 -3,-1.9 4,-1.9 1,-0.2 5,-0.1 -0.445 54.1-156.1 -67.6 130.7 24.4 37.2 9.4 16 16 A Q H > S+ 0 0 47 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.912 98.0 47.5 -68.7 -42.9 21.2 35.3 8.9 17 17 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.844 111.3 51.4 -75.3 -36.0 19.9 36.0 12.4 18 18 A N H > S+ 0 0 8 2,-0.2 4,-2.6 -6,-0.2 -1,-0.2 0.901 109.4 49.4 -62.3 -45.0 20.8 39.8 12.1 19 19 A Q H X S+ 0 0 82 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.922 113.8 45.9 -68.8 -38.7 19.0 40.1 8.8 20 20 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.886 111.5 52.7 -74.3 -28.9 15.9 38.4 10.4 21 21 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.903 109.7 48.9 -68.7 -46.9 16.3 40.6 13.5 22 22 A D H X S+ 0 0 83 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 109.5 52.3 -62.6 -29.1 16.3 43.7 11.2 23 23 A Y H X S+ 0 0 41 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.954 108.9 50.4 -74.4 -39.7 13.2 42.3 9.5 24 24 A F H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.3 -1,-0.2 0.958 111.7 48.0 -62.9 -48.8 11.5 42.0 12.9 25 25 A V H X S+ 0 0 29 -4,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.891 111.8 48.5 -58.9 -49.7 12.4 45.6 13.8 26 26 A E H X S+ 0 0 108 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.942 114.4 47.0 -60.2 -45.1 11.2 47.0 10.4 27 27 A Q H X S+ 0 0 28 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.935 112.5 48.8 -67.6 -45.2 7.9 45.0 10.9 28 28 A W H X S+ 0 0 25 -4,-3.1 4,-2.0 -5,-0.3 -1,-0.2 0.908 110.0 51.1 -65.2 -40.5 7.4 46.1 14.5 29 29 A R H < S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.1 47.4 -67.1 -27.6 8.1 49.8 13.6 30 30 A E H < S+ 0 0 140 -4,-1.5 3,-0.3 -3,-0.3 -1,-0.2 0.848 122.0 35.0 -86.7 -22.9 5.5 49.7 10.8 31 31 A K H < S+ 0 0 95 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.613 133.2 24.9-109.7 -16.2 2.9 48.0 12.9 32 32 A H S >< S+ 0 0 56 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.3 -0.434 72.7 170.8-145.1 53.4 3.5 49.6 16.3 33 33 A S T 3 S+ 0 0 85 -3,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.501 73.8 52.2 -61.3 -26.1 5.2 53.1 15.5 34 34 A A T 3 S+ 0 0 85 2,-0.1 -1,-0.3 0, 0.0 -5,-0.1 0.469 84.0 105.0 -79.3 -22.8 5.2 54.6 18.9 35 35 A D S < S- 0 0 26 -3,-1.7 2,-0.5 -7,-0.2 -33,-0.2 -0.326 73.4-125.8 -66.9 144.8 6.9 51.6 20.6 36 36 A E E -a 2 0A 106 -35,-1.6 -33,-2.8 -2,-0.0 2,-0.4 -0.852 23.1-159.6 -95.5 131.3 10.7 52.3 21.4 37 37 A I E -a 3 0A 41 -2,-0.5 2,-0.4 -35,-0.2 -33,-0.2 -0.912 6.5-169.1-117.4 125.8 13.1 49.8 20.0 38 38 A T E -a 4 0A 42 -35,-2.9 -33,-2.5 -2,-0.4 2,-0.5 -0.971 5.2-161.4-113.2 120.8 16.6 49.4 21.5 39 39 A V E -a 5 0A 69 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.971 5.5-173.3-104.9 128.1 19.2 47.2 19.5 40 40 A R E -a 6 0A 37 -35,-2.8 -33,-2.6 -2,-0.5 2,-0.8 -0.964 9.6-158.0-118.2 112.4 22.3 45.9 21.4 41 41 A D E > -a 7 0A 39 -2,-0.5 4,-2.0 -35,-0.2 -33,-0.2 -0.885 5.0-170.2 -98.1 106.5 24.8 44.1 19.1 42 42 A L T 4>S+ 0 0 0 -35,-2.4 5,-0.6 -2,-0.8 -34,-0.2 0.476 86.4 51.3 -78.6 -9.4 26.8 41.9 21.5 43 43 A A T 45S+ 0 0 33 -36,-0.2 -1,-0.2 3,-0.1 -35,-0.1 0.765 113.8 42.8 -87.9 -43.9 29.4 41.1 18.6 44 44 A A T 45S+ 0 0 64 1,-0.3 -2,-0.2 -37,-0.1 -36,-0.0 0.856 130.2 27.1 -74.9 -30.2 30.0 44.9 17.8 45 45 A N T <5S- 0 0 108 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.0 -0.778 96.6-152.0-130.9 77.9 30.1 45.9 21.4 46 46 A P T 5 - 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.227 8.6-136.7 -63.2 145.9 31.4 42.8 23.3 47 47 A I < - 0 0 7 -5,-0.6 54,-0.1 51,-0.2 55,-0.1 -0.788 34.3-106.8 -91.1 138.2 30.7 41.7 26.8 48 48 A P - 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.266 35.2 -98.9 -65.2 158.8 33.7 40.4 28.7 49 49 A V - 0 0 90 1,-0.1 2,-0.8 55,-0.0 5,-0.2 -0.441 37.5-111.9 -69.3 136.1 34.1 36.7 29.5 50 50 A L + 0 0 53 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.691 53.7 162.2 -70.5 114.6 33.1 35.8 33.1 51 51 A D > - 0 0 60 -2,-0.8 4,-2.2 0, 0.0 5,-0.3 -0.525 55.5 -82.7-121.0-175.2 36.4 34.8 34.8 52 52 A G H > S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.912 126.8 50.9 -58.3 -41.4 37.5 34.5 38.3 53 53 A E H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.952 114.4 44.9 -65.7 -49.7 38.2 38.2 38.9 54 54 A L H > S+ 0 0 2 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.819 105.9 56.9 -65.4 -35.2 34.6 39.1 37.5 55 55 A V H < S+ 0 0 86 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.887 107.1 52.3 -69.3 -28.8 32.7 36.5 39.3 56 56 A G H < S+ 0 0 50 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.942 105.2 56.5 -62.0 -42.5 34.4 38.2 42.5 57 57 A A H < 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 360.0 360.0 -60.3 -25.3 33.0 41.7 41.2 58 58 A L < 0 0 65 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.386 360.0 360.0 -96.5 360.0 29.4 40.3 41.2 59 ! 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 60 65 A L 0 0 110 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.0 36.9 45.8 44.2 61 66 A T > - 0 0 54 -8,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.375 360.0-102.0 -71.8 157.0 39.5 46.3 41.5 62 67 A P H > S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.942 126.8 45.1 -40.7 -49.6 39.0 48.9 38.6 63 68 A R H > S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.900 110.8 51.1 -74.8 -37.0 38.0 46.1 36.3 64 69 A Q H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.879 110.9 51.3 -58.5 -45.4 35.7 44.5 38.9 65 70 A Q H X S+ 0 0 114 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 109.8 48.3 -61.1 -48.3 34.0 47.9 39.3 66 71 A E H X S+ 0 0 142 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.921 111.8 49.4 -59.3 -42.3 33.5 48.3 35.6 67 72 A A H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.883 110.4 51.3 -64.1 -39.6 32.0 44.8 35.2 68 73 A L H X S+ 0 0 47 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.941 111.8 45.4 -62.4 -45.7 29.7 45.4 38.1 69 74 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.873 113.7 49.9 -67.2 -32.5 28.4 48.6 36.5 70 75 A L H X S+ 0 0 38 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.949 111.6 50.2 -73.1 -40.9 28.1 46.9 33.1 71 76 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.919 110.5 47.7 -53.7 -60.1 26.2 44.1 34.7 72 77 A D H X S+ 0 0 78 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.912 112.4 51.8 -50.1 -49.1 23.8 46.6 36.5 73 78 A E H X S+ 0 0 104 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 110.5 46.4 -51.3 -57.4 23.4 48.4 33.1 74 79 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.936 113.9 48.1 -56.9 -42.1 22.5 45.3 31.2 75 80 A I H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.919 111.5 48.9 -68.7 -37.7 20.1 44.1 33.9 76 81 A A H X S+ 0 0 63 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.928 111.7 51.5 -69.8 -35.0 18.3 47.6 34.1 77 82 A E H X S+ 0 0 32 -4,-2.5 4,-0.7 2,-0.2 3,-0.3 0.937 111.0 46.9 -61.5 -47.8 18.1 47.5 30.3 78 83 A L H >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.929 113.5 47.2 -57.2 -51.2 16.5 44.1 30.3 79 84 A K H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.774 105.8 61.8 -64.7 -24.1 14.1 45.0 33.0 80 85 A A H 3< S+ 0 0 55 -4,-1.8 2,-0.3 -3,-0.3 -1,-0.2 0.537 97.2 73.4 -74.3 -25.6 13.2 48.3 31.2 81 86 A H << - 0 0 7 -3,-0.8 -78,-0.2 -4,-0.7 3,-0.1 -0.708 58.5-162.1-100.7 150.4 11.9 46.4 28.1 82 87 A D S S+ 0 0 65 -80,-2.3 46,-2.2 -2,-0.3 2,-0.4 0.744 80.9 43.7 -90.1 -40.0 8.7 44.4 27.4 83 88 A V E -bc 3 128A 13 -81,-2.0 -79,-2.7 44,-0.2 2,-0.5 -0.992 69.9-162.7-118.6 120.6 9.5 42.4 24.4 84 89 A I E -bc 4 129A 1 44,-2.5 46,-2.7 -2,-0.4 2,-0.5 -0.974 2.0-167.7-114.5 109.6 12.9 40.7 24.3 85 90 A V E -bc 5 130A 0 -81,-3.2 -79,-2.6 -2,-0.5 2,-0.5 -0.945 6.7-167.8-101.1 118.6 14.1 39.6 20.9 86 91 A I E -bc 6 131A 3 44,-2.7 46,-2.5 -2,-0.5 2,-0.6 -0.975 13.3-151.7-116.1 111.5 17.2 37.3 21.1 87 92 A A E + c 0 132A 0 -81,-3.1 46,-0.2 -2,-0.5 44,-0.0 -0.785 21.7 178.9 -79.4 114.7 19.2 36.4 18.0 88 93 A A - 0 0 0 44,-2.9 2,-0.1 -2,-0.6 -81,-0.1 -0.632 5.0-176.3-123.6 69.2 20.7 33.0 18.8 89 94 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 7,-0.5 -0.414 30.2-119.2 -59.7 147.8 22.8 31.5 16.0 90 95 A M + 0 0 24 44,-2.5 2,-0.5 5,-0.1 46,-0.3 -0.787 33.5 178.1 -95.1 119.9 24.1 28.0 16.7 91 96 A Y B > S-E 94 0B 59 3,-2.3 3,-1.5 -2,-0.6 44,-0.0 -0.980 74.5 -17.6-122.7 116.3 27.9 27.6 16.7 92 97 A N T 3 S- 0 0 157 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.864 125.6 -56.2 59.6 44.9 29.3 24.2 17.5 93 98 A F T 3 S+ 0 0 121 1,-0.2 53,-0.3 -3,-0.0 -1,-0.3 0.543 125.2 81.7 68.4 3.7 26.0 23.1 19.1 94 99 A N B < S-E 91 0B 79 -3,-1.5 -3,-2.3 1,-0.1 -1,-0.2 -0.732 87.9 -90.7-119.3 177.0 25.9 26.0 21.5 95 100 A I - 0 0 6 -2,-0.2 -5,-0.1 -5,-0.2 -1,-0.1 -0.278 61.5 -76.2 -77.7 170.0 24.9 29.6 21.4 96 101 A S > - 0 0 0 -7,-0.5 4,-2.2 1,-0.1 3,-0.3 -0.415 32.3-124.8 -64.9 146.0 27.5 32.2 20.5 97 102 A T H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 110.9 63.6 -59.3 -33.0 30.0 33.1 23.0 98 103 A Q H > S+ 0 0 54 -90,-0.3 4,-0.9 2,-0.2 -51,-0.2 0.924 108.1 40.3 -57.5 -43.3 28.8 36.8 22.5 99 104 A L H > S+ 0 0 0 -91,-0.3 4,-2.3 -3,-0.3 3,-0.3 0.891 112.6 56.6 -69.3 -42.4 25.3 35.9 23.8 100 105 A K H X S+ 0 0 79 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 102.4 54.3 -61.2 -40.9 26.7 33.7 26.6 101 106 A N H X S+ 0 0 16 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.853 107.1 51.4 -63.8 -35.3 28.8 36.4 28.0 102 107 A Y H >X S+ 0 0 4 -4,-0.9 4,-1.7 -3,-0.3 3,-0.5 0.927 109.9 50.1 -59.4 -57.0 25.6 38.7 28.3 103 108 A F H 3X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.890 105.2 57.0 -48.7 -46.0 23.8 35.9 30.1 104 109 A D H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.788 111.2 42.8 -63.3 -24.1 26.7 35.5 32.5 105 110 A L H << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.719 113.9 51.5 -91.6 -13.5 26.4 39.1 33.6 106 111 A V H < S+ 0 0 0 -4,-1.7 2,-0.8 -5,-0.1 -2,-0.2 0.722 88.0 84.2 -90.1 -25.3 22.6 39.2 33.7 107 112 A A < + 0 0 29 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.0 -0.732 59.9 155.4 -84.4 105.1 22.2 36.1 35.9 108 113 A R >>> - 0 0 37 -2,-0.8 4,-2.6 -37,-0.0 3,-2.3 -0.955 44.5-119.6-140.6 123.0 22.6 37.6 39.5 109 114 A A B 345S+f 113 0C 62 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.308 102.1 15.1 -60.7 135.0 21.2 36.2 42.8 110 115 A G T 345S+ 0 0 58 3,-2.4 -1,-0.3 1,-0.1 4,-0.2 0.317 128.2 57.8 79.1 -1.5 18.9 38.8 44.5 111 116 A V T <45S+ 0 0 43 -3,-2.3 -2,-0.2 2,-0.5 -1,-0.1 0.693 122.5 8.0-125.0 -61.9 18.6 40.8 41.2 112 117 A T T <5S+ 0 0 0 -4,-2.6 11,-2.6 1,-0.3 12,-0.7 0.585 137.2 12.5-109.6 -2.2 17.3 38.6 38.4 113 118 A F E < -fG 109 122C 14 -5,-1.3 -3,-2.4 9,-0.3 -2,-0.5 -0.960 64.7-158.0-160.3 161.1 16.5 35.6 40.5 114 119 A R E - G 0 121C 124 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.971 24.4-108.9-139.4 155.7 16.1 34.8 44.1 115 120 A Y E + G 0 120C 163 -2,-0.3 2,-0.3 5,-0.2 -2,-0.0 -0.746 37.2 178.2 -87.6 137.0 16.2 31.7 46.2 116 121 A T E > - G 0 119C 53 3,-1.0 3,-1.5 -2,-0.4 0, 0.0 -0.823 45.1-105.5-125.4 170.3 13.1 30.3 47.7 117 122 A E T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.873 124.8 48.8 -61.8 -40.1 12.1 27.4 49.8 118 123 A N T 3 S- 0 0 149 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.397 129.4 -81.8 -92.8 9.7 10.5 25.9 46.7 119 124 A G E < S-G 116 0C 27 -3,-1.5 -3,-1.0 2,-0.0 -1,-0.3 -0.531 71.7 -31.3 125.7 177.1 13.7 26.6 44.5 120 125 A P E -G 115 0C 74 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.320 57.8-161.4 -57.2 146.1 15.1 29.6 42.5 121 126 A E E -G 114 0C 81 -7,-2.4 -7,-2.4 37,-0.1 36,-0.1 -1.000 17.9-116.5-132.7 136.9 12.5 32.1 41.1 122 127 A G E -G 113 0C 15 34,-0.4 -9,-0.3 -2,-0.4 37,-0.2 -0.397 15.4-164.5 -72.6 149.3 13.0 34.6 38.4 123 128 A L + 0 0 49 -11,-2.6 2,-1.1 35,-0.5 -10,-0.2 0.393 68.6 88.6-111.2 -2.1 12.7 38.3 39.1 124 129 A V + 0 0 1 34,-2.7 3,-0.3 -12,-0.7 2,-0.2 -0.750 68.2 175.3 -99.9 94.2 12.4 39.6 35.5 125 130 A T + 0 0 101 -2,-1.1 35,-0.1 1,-0.2 -2,-0.1 -0.634 40.9 30.5-106.4 162.3 8.7 39.4 35.2 126 131 A G S S+ 0 0 76 33,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.579 80.9 139.1 71.4 20.6 6.0 40.3 32.6 127 132 A K - 0 0 26 -3,-0.3 35,-0.5 32,-0.2 2,-0.5 -0.562 43.3-154.1 -98.7 152.9 8.2 39.8 29.6 128 133 A K E -c 83 0A 130 -46,-2.2 -44,-2.5 -2,-0.2 2,-0.4 -0.990 21.1-162.7-120.3 118.6 7.5 38.3 26.2 129 134 A A E -cd 84 163A 1 33,-2.8 35,-2.4 -2,-0.5 2,-0.4 -0.864 13.1-164.5-105.3 149.9 10.6 36.8 24.4 130 135 A I E -cd 85 164A 6 -46,-2.7 -44,-2.7 -2,-0.4 2,-0.5 -0.988 8.5-157.8-128.6 118.6 11.2 35.9 20.8 131 136 A V E -cd 86 165A 0 33,-2.6 35,-3.1 -2,-0.4 2,-0.6 -0.901 1.7-164.8 -95.9 124.9 14.2 33.7 19.9 132 137 A I E -cd 87 166A 0 -46,-2.5 -44,-2.9 -2,-0.5 2,-0.5 -0.965 17.9-177.6-106.2 110.2 15.4 33.9 16.4 133 138 A T E - d 0 167A 0 33,-2.7 35,-2.5 -2,-0.6 2,-0.3 -0.948 9.0-166.9-123.7 116.4 17.7 30.9 16.0 134 139 A S E + d 0 168A 13 -2,-0.5 -44,-2.5 33,-0.2 2,-0.3 -0.799 7.8 178.4-101.3 141.0 19.7 30.1 12.8 135 140 A R - 0 0 5 33,-2.4 36,-1.8 -2,-0.3 35,-0.3 -0.999 32.2-140.8-142.6 145.3 21.4 26.9 12.0 136 141 A G S S+ 0 0 35 -2,-0.3 36,-2.1 -46,-0.3 37,-0.3 0.939 93.4 31.7 -65.4 -50.4 23.4 25.5 9.0 137 142 A G S S- 0 0 12 33,-0.2 33,-2.0 34,-0.1 2,-0.5 -0.150 96.7 -88.4 -95.1-160.3 21.8 22.2 9.5 138 143 A I + 0 0 98 31,-0.2 6,-0.1 32,-0.1 -2,-0.0 -0.957 54.2 139.6-124.7 105.8 18.4 20.8 10.7 139 144 A H > + 0 0 33 -2,-0.5 3,-2.1 5,-0.1 6,-0.4 0.488 20.6 134.5-120.0 -17.4 18.1 20.1 14.4 140 145 A K T 3 S+ 0 0 108 1,-0.3 4,-0.0 4,-0.1 -2,-0.0 -0.171 83.1 1.2 -52.8 133.7 14.7 21.1 15.5 141 146 A D T 3 S+ 0 0 150 1,-0.3 -1,-0.3 4,-0.1 -2,-0.0 0.645 112.6 109.5 64.2 15.7 12.9 18.6 17.7 142 147 A G S X S- 0 0 29 -3,-2.1 3,-1.6 1,-0.0 -1,-0.3 -0.754 85.9-102.6-115.2 174.5 15.9 16.4 17.6 143 148 A P T 3 S+ 0 0 125 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.550 113.7 62.8 -70.7 -18.1 18.6 15.3 20.0 144 149 A T T 3 S+ 0 0 60 -5,-0.2 2,-1.1 1,-0.1 3,-0.2 0.405 82.7 87.0 -84.2 -7.7 21.2 17.7 18.6 145 150 A D < + 0 0 11 -3,-1.6 -1,-0.1 -6,-0.4 -4,-0.1 -0.723 36.9 142.1 -95.0 91.8 19.2 20.9 19.5 146 151 A L > + 0 0 98 -2,-1.1 4,-2.3 -53,-0.3 5,-0.2 0.644 61.3 75.3-100.7 -10.3 20.2 21.7 23.0 147 152 A V H > S+ 0 0 2 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.950 93.0 51.6 -59.2 -44.5 20.2 25.4 22.2 148 153 A T H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.948 115.5 38.8 -61.8 -60.3 16.3 25.5 22.2 149 154 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 114.7 54.9 -65.7 -29.9 15.9 23.8 25.7 150 155 A Y H X S+ 0 0 73 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.934 109.3 47.8 -58.7 -49.7 18.9 25.7 27.1 151 156 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.939 111.8 49.6 -59.9 -46.1 17.4 29.0 26.1 152 157 A S H X S+ 0 0 50 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.917 114.5 45.7 -54.2 -47.0 14.1 28.0 27.6 153 158 A T H X S+ 0 0 102 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.972 115.3 43.1 -64.4 -50.9 15.8 27.0 30.8 154 159 A F H X S+ 0 0 26 -4,-3.3 4,-1.2 1,-0.2 6,-0.2 0.945 117.9 44.9 -64.6 -47.1 18.0 30.0 31.2 155 160 A L H ><>S+ 0 0 3 -4,-2.6 5,-2.5 -5,-0.3 3,-0.6 0.912 113.6 52.4 -64.1 -48.1 15.3 32.5 30.3 156 161 A G H ><5S+ 0 0 24 -4,-2.2 3,-1.6 -5,-0.4 -34,-0.4 0.911 103.5 58.1 -55.1 -37.0 12.8 30.6 32.5 157 162 A F H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.0 44.4 -58.9 -41.3 15.2 30.8 35.4 158 163 A I T <<5S- 0 0 2 -4,-1.2 -34,-2.7 -3,-0.6 -35,-0.5 0.444 131.5 -90.5 -91.4 0.6 15.4 34.6 35.4 159 164 A G T < 5S+ 0 0 16 -3,-1.6 2,-1.2 -4,-0.5 -33,-0.2 0.277 88.3 124.4 117.7 -14.4 11.5 34.9 35.0 160 165 A I < + 0 0 1 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.703 18.8 148.4 -90.9 83.6 11.0 34.9 31.2 161 166 A T + 0 0 121 -2,-1.2 2,-1.0 -34,-0.2 -1,-0.2 0.566 50.2 80.8 -90.5 -19.8 8.7 32.0 30.7 162 167 A D + 0 0 66 -35,-0.5 -33,-2.8 -3,-0.2 2,-0.4 -0.844 62.3 156.4 -97.8 88.4 6.8 33.3 27.7 163 168 A V E -d 129 0A 30 -2,-1.0 2,-0.5 -35,-0.2 -33,-0.2 -0.990 25.8-166.2-123.5 127.1 9.2 32.4 24.8 164 169 A K E -d 130 0A 108 -35,-2.4 -33,-2.6 -2,-0.4 2,-0.5 -0.945 16.3-143.2-108.3 130.1 8.4 32.0 21.1 165 170 A F E -d 131 0A 48 -2,-0.5 2,-0.5 -35,-0.2 -33,-0.2 -0.881 11.8-168.1 -99.5 131.1 11.0 30.4 18.9 166 171 A V E -d 132 0A 1 -35,-3.1 -33,-2.7 -2,-0.5 2,-0.4 -0.987 16.7-159.5-114.1 119.9 11.6 31.3 15.3 167 172 A F E -d 133 0A 35 -2,-0.5 2,-0.4 -35,-0.2 -33,-0.2 -0.836 20.5-176.7-105.9 140.1 13.8 28.8 13.5 168 173 A A E +d 134 0A 1 -35,-2.5 -33,-2.4 -2,-0.4 3,-0.3 -0.787 29.2 164.2-129.1 89.7 15.9 29.4 10.4 169 174 A E + 0 0 27 -2,-0.4 -31,-0.2 -35,-0.2 -33,-0.2 -0.667 46.2 40.0-109.0 161.9 17.4 25.9 9.7 170 175 A G > + 0 0 0 -33,-2.0 3,-2.1 -35,-0.3 -34,-0.2 0.648 61.9 145.9 77.9 21.7 19.1 24.3 6.7 171 176 A I T 3 S+ 0 0 38 -36,-1.8 3,-0.4 -34,-0.3 -35,-0.2 0.789 72.2 52.2 -58.4 -36.2 21.0 27.5 5.8 172 177 A A T 3 S+ 0 0 71 -36,-2.1 -1,-0.3 -37,-0.2 -35,-0.1 0.407 88.0 86.0 -81.0 -3.2 23.9 25.4 4.6 173 178 A Y S < S- 0 0 141 -3,-2.1 4,-0.3 -37,-0.3 -1,-0.2 0.005 100.4 -87.6 -86.8 18.0 21.8 23.2 2.3 174 179 A G >> - 0 0 32 -3,-0.4 4,-3.0 1,-0.1 3,-0.6 0.006 56.3 -56.1 95.2 156.6 21.7 25.4 -0.8 175 180 A P H 3> S+ 0 0 112 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.809 129.3 51.2 -42.2 -43.5 19.5 28.2 -2.3 176 181 A E H 3> S+ 0 0 170 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.932 116.7 40.2 -62.9 -40.3 16.2 26.4 -2.1 177 182 A M H <> S+ 0 0 64 -3,-0.6 4,-2.5 -4,-0.3 -1,-0.2 0.905 115.0 51.5 -77.4 -35.3 16.7 25.5 1.6 178 183 A A H X S+ 0 0 15 -4,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.917 112.3 46.7 -63.8 -44.9 18.2 28.8 2.5 179 184 A A H X S+ 0 0 51 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.868 110.4 53.2 -64.6 -45.4 15.2 30.6 0.9 180 185 A K H X S+ 0 0 117 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.938 109.3 49.4 -51.0 -46.1 12.8 28.2 2.7 181 186 A A H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.896 114.2 44.0 -68.0 -46.2 14.5 29.0 6.0 182 187 A Q H X S+ 0 0 56 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.930 117.0 46.9 -66.2 -34.2 14.2 32.8 5.4 183 188 A S H X S+ 0 0 74 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.898 114.4 44.9 -77.4 -44.5 10.7 32.6 4.1 184 189 A D H X S+ 0 0 74 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.915 114.7 49.4 -73.8 -35.5 9.5 30.4 6.9 185 190 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.927 112.1 48.2 -71.7 -39.9 11.3 32.6 9.6 186 191 A K H X S+ 0 0 62 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.918 111.1 50.6 -66.7 -39.2 9.8 35.8 8.2 187 192 A A H X S+ 0 0 58 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.898 111.2 48.4 -61.9 -41.3 6.3 34.2 8.1 188 193 A A H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.935 111.7 49.9 -61.6 -45.2 6.8 33.2 11.7 189 194 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.948 108.5 52.8 -57.9 -47.8 7.9 36.7 12.5 190 195 A D H X S+ 0 0 59 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.873 106.1 53.8 -61.3 -40.9 4.9 38.2 10.7 191 196 A S H < S+ 0 0 70 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.897 113.6 43.0 -64.5 -36.1 2.5 36.0 12.8 192 197 A I H >< S+ 0 0 28 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.934 112.4 50.3 -74.1 -44.4 4.1 37.3 16.0 193 198 A V H 3< S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.904 118.0 41.4 -64.7 -29.0 4.3 41.0 14.9 194 199 A S T 3< 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.091 360.0 360.0-112.7 21.9 0.5 40.8 13.9 195 200 A A < 0 0 138 -3,-1.1 -3,-0.0 -4,-0.1 -4,-0.0 -0.673 360.0 360.0 -87.6 360.0 -0.9 38.8 16.8