==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-OCT-08 3EU3 . COMPND 2 MOLECULE: BDBD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.CROW,M.C.MOLLER,L.HEDERSTEDT,N.E.LE BRUN . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.9 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 . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.8 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 1 0 1 1 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 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 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 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 37 A N 0 0 147 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 83.6 15.4 13.6 53.2 2 38 A D - 0 0 132 1,-0.1 3,-0.1 152,-0.0 151,-0.1 -0.653 360.0 -69.8-115.4 168.4 13.9 16.9 52.1 3 39 A A - 0 0 19 -2,-0.2 149,-0.2 1,-0.1 2,-0.2 -0.308 63.2-109.2 -53.4 142.2 13.8 19.0 49.0 4 40 A V - 0 0 57 147,-2.8 2,-0.2 1,-0.1 -1,-0.1 -0.552 21.9-119.4 -85.5 143.5 17.3 20.5 48.4 5 41 A S + 0 0 100 -2,-0.2 2,-0.2 -3,-0.1 159,-0.2 -0.534 67.3 90.2 -72.6 142.9 18.2 24.1 48.9 6 42 A G S S- 0 0 23 157,-1.7 -2,-0.0 -2,-0.2 145,-0.0 -0.638 81.6 -73.0 144.7 161.8 19.5 25.8 45.7 7 43 A Q - 0 0 89 -2,-0.2 156,-0.2 153,-0.0 2,-0.2 -0.744 44.2-141.5 -86.3 112.5 18.2 27.7 42.7 8 44 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 154,-0.1 -0.501 24.3-112.4 -70.0 141.4 16.4 25.4 40.3 9 45 A S - 0 0 69 -2,-0.2 138,-0.0 1,-0.1 0, 0.0 -0.580 25.3-169.5 -71.1 130.7 17.0 26.2 36.6 10 46 A I > + 0 0 32 -2,-0.4 3,-2.2 3,-0.1 -1,-0.1 0.274 38.3 137.6-102.4 11.7 13.9 27.5 34.9 11 47 A K T 3 S+ 0 0 166 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.379 78.5 7.7 -60.3 129.2 15.5 27.3 31.4 12 48 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.538 106.7 119.5 75.1 8.0 13.0 25.9 29.0 13 49 A Q S < S- 0 0 5 -3,-2.2 -1,-0.3 1,-0.1 49,-0.1 -0.713 76.2 -88.5 -99.7 155.0 10.1 26.0 31.5 14 50 A P - 0 0 1 0, 0.0 47,-0.9 0, 0.0 2,-0.4 -0.362 51.3-169.0 -57.4 135.6 6.9 28.0 31.4 15 51 A V E -A 60 0A 53 45,-0.2 2,-0.4 71,-0.1 45,-0.2 -0.985 17.6-169.0-132.8 145.3 7.4 31.4 32.9 16 52 A L E +A 59 0A 48 43,-2.4 43,-3.0 -2,-0.4 2,-0.2 -0.997 52.6 35.5-129.9 128.9 5.1 34.3 33.9 17 53 A G S S- 0 0 32 -2,-0.4 41,-0.2 41,-0.2 2,-0.2 -0.667 93.0 -29.1 125.3 179.6 6.3 37.8 34.7 18 54 A K > - 0 0 95 39,-0.4 3,-2.0 34,-0.4 -2,-0.1 -0.450 48.6-128.5 -74.4 141.9 8.9 40.3 33.7 19 55 A D T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.2 39,-0.1 0.851 109.6 47.8 -50.3 -42.0 12.3 39.1 32.3 20 56 A D T 3 S+ 0 0 135 37,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.265 76.3 142.1 -90.7 9.1 14.2 41.2 34.7 21 57 A A < - 0 0 11 -3,-2.0 35,-0.2 1,-0.2 37,-0.2 -0.289 46.9-144.5 -57.5 127.7 12.2 40.2 37.9 22 58 A P S S+ 0 0 51 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.714 80.9 54.3 -69.1 -21.0 14.7 40.0 40.7 23 59 A V E -b 57 0A 0 33,-1.7 35,-2.4 139,-0.1 2,-0.5 -0.959 67.6-158.0-119.2 131.9 13.0 37.0 42.4 24 60 A T E -b 58 0A 22 -2,-0.4 138,-3.3 33,-0.2 2,-0.5 -0.941 6.0-166.4-108.2 124.7 12.1 33.7 40.7 25 61 A V E -bC 59 161A 0 33,-2.6 35,-2.3 -2,-0.5 2,-0.4 -0.966 7.8-169.2-109.6 125.7 9.4 31.6 42.3 26 62 A V E -bC 60 160A 0 134,-2.0 134,-2.7 -2,-0.5 2,-0.6 -0.950 8.4-158.3-117.8 133.0 9.2 28.0 41.0 27 63 A E E -bC 61 159A 4 33,-2.8 35,-2.7 -2,-0.4 2,-0.7 -0.955 4.9-158.6-108.1 123.0 6.4 25.5 41.7 28 64 A F E +bC 62 158A 0 130,-2.9 130,-1.9 -2,-0.6 2,-0.3 -0.905 40.7 156.2 -91.2 110.8 7.0 21.8 41.4 29 65 A G E -b 63 0A 0 33,-2.2 35,-2.1 -2,-0.7 2,-0.4 -0.874 41.6-141.3-141.2 171.7 3.5 20.6 40.9 30 66 A D > - 0 0 3 -2,-0.3 3,-1.7 33,-0.2 6,-0.2 -0.996 19.8-136.2-140.8 129.2 1.2 17.9 39.5 31 67 A Y T 3 S+ 0 0 2 -2,-0.4 69,-0.1 1,-0.3 40,-0.1 0.687 107.7 50.4 -65.5 -16.5 -2.1 18.5 37.8 32 68 A K T 3 S+ 0 0 34 36,-0.1 -1,-0.3 68,-0.1 39,-0.1 0.433 84.8 108.4 -97.6 -1.7 -3.7 15.6 39.7 33 69 A C <> - 0 0 4 -3,-1.7 4,-1.7 1,-0.1 3,-0.2 -0.656 58.3-154.4 -82.2 120.5 -2.5 16.9 43.1 34 70 A P H > S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.786 96.6 55.2 -65.2 -26.3 -5.3 18.3 45.3 35 71 A S H > S+ 0 0 47 121,-0.2 4,-2.4 2,-0.2 5,-0.1 0.840 105.3 52.4 -74.4 -31.8 -2.8 20.5 47.2 36 72 A C H > S+ 0 0 0 2,-0.2 4,-2.7 -6,-0.2 -1,-0.2 0.868 105.4 55.8 -66.8 -35.8 -1.7 22.0 43.8 37 73 A K H X S+ 0 0 42 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.941 109.8 45.6 -57.5 -45.8 -5.4 22.7 43.1 38 74 A V H X>S+ 0 0 58 -4,-1.7 4,-3.1 1,-0.2 5,-0.6 0.906 111.0 52.1 -64.5 -42.5 -5.5 24.7 46.4 39 75 A F H X>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 4,-1.7 0.941 109.1 52.2 -58.6 -44.9 -2.3 26.5 45.6 40 76 A N H <5S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 120.4 30.4 -58.2 -42.5 -3.7 27.5 42.2 41 77 A S H <5S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.839 130.7 29.1 -89.8 -34.7 -6.9 29.0 43.5 42 78 A D H <5S+ 0 0 91 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.727 129.2 20.7-103.0 -29.3 -5.9 30.3 47.0 43 79 A I T >X S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.829 106.2 51.5 -59.1 -29.8 -3.5 34.7 42.7 46 82 A K H <> S+ 0 0 104 -3,-1.2 4,-2.9 2,-0.2 5,-0.3 0.921 109.0 48.8 -72.7 -42.3 -2.0 36.6 45.8 47 83 A I H X>S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-1.9 0.927 112.4 51.5 -58.5 -42.9 1.6 36.1 44.4 48 84 A Q H <>S+ 0 0 44 -4,-2.8 5,-2.9 3,-0.2 6,-0.4 0.979 116.0 38.0 -52.7 -60.9 0.3 37.4 41.1 49 85 A K H <5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 122.4 41.7 -63.2 -43.4 -1.3 40.5 42.5 50 86 A D H <5S- 0 0 62 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.805 136.8 -2.2 -78.3 -31.3 1.3 41.3 45.1 51 87 A F T <>S+ 0 0 8 -4,-2.3 5,-2.4 -5,-0.3 6,-1.1 0.698 121.1 55.5-132.1 -41.4 4.5 40.6 43.1 52 88 A I T > > S- 0 0 48 -3,-0.3 4,-1.6 1,-0.2 3,-0.8 -0.176 70.3 -4.4 71.2-150.2 0.4 7.9 37.6 69 105 A K H 3> S+ 0 0 170 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.856 130.2 52.4 -54.0 -44.9 -0.8 7.8 34.0 70 106 A G H 3> S+ 0 0 1 -3,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.810 105.4 55.3 -64.4 -32.8 -3.0 10.9 34.3 71 107 A S H <> S+ 0 0 2 -3,-0.8 4,-2.2 -4,-0.5 -1,-0.2 0.913 110.2 46.9 -64.7 -41.3 -0.2 13.0 35.7 72 108 A R H X S+ 0 0 58 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.917 111.4 50.6 -66.0 -45.8 1.9 12.1 32.6 73 109 A L H X S+ 0 0 24 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 112.7 46.5 -54.0 -51.2 -1.0 12.8 30.2 74 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.913 111.5 51.2 -63.0 -41.5 -1.6 16.2 31.7 75 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.913 108.5 51.7 -61.8 -42.5 2.1 17.1 31.7 76 112 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 111.7 47.1 -62.9 -42.0 2.4 16.1 28.0 77 113 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.949 111.2 51.5 -62.1 -47.0 -0.5 18.4 27.2 78 114 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 109.3 50.3 -56.3 -44.2 1.0 21.2 29.3 79 115 A E H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.910 108.7 51.9 -63.6 -43.4 4.3 20.9 27.5 80 116 A E H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.903 109.5 49.6 -59.2 -42.5 2.7 21.1 24.1 81 117 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 7,-0.2 0.925 109.0 51.8 -64.8 -43.9 0.8 24.3 25.1 82 118 A W H < S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.919 116.7 40.9 -57.6 -41.4 3.9 26.0 26.3 83 119 A K H < S+ 0 0 154 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.924 125.6 31.5 -71.6 -46.2 5.7 25.2 23.0 84 120 A E H < S+ 0 0 76 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.750 137.7 11.8 -92.5 -26.0 2.9 25.9 20.6 85 121 A D >< + 0 0 8 -4,-2.6 3,-1.9 -5,-0.3 4,-0.4 -0.345 64.7 161.6-148.9 62.7 0.9 28.7 22.2 86 122 A P G > S+ 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.810 73.4 65.6 -58.1 -30.5 2.9 30.1 25.2 87 123 A D G 3 S+ 0 0 152 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.772 110.0 40.2 -63.1 -22.1 0.9 33.3 25.3 88 124 A S G X> S+ 0 0 21 -3,-1.9 4,-2.0 -7,-0.2 3,-0.6 0.407 88.4 101.1 -98.6 -3.7 -2.1 31.1 26.3 89 125 A F H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.4 5,-0.2 0.880 79.1 47.7 -56.2 -48.9 -0.2 28.8 28.6 90 126 A W H 3> S+ 0 0 21 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.782 110.4 53.7 -70.3 -23.2 -1.3 30.2 32.0 91 127 A D H <> S+ 0 0 96 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.922 112.6 43.4 -71.8 -44.4 -4.9 30.3 30.9 92 128 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 28,-0.2 -2,-0.2 0.915 114.2 52.6 -59.9 -46.7 -4.8 26.5 30.0 93 129 A H H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.925 110.3 45.3 -59.6 -50.1 -2.8 25.8 33.2 94 130 A E H X S+ 0 0 27 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.903 113.2 50.8 -63.5 -42.8 -5.3 27.5 35.5 95 131 A K H X S+ 0 0 101 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.827 105.9 55.0 -68.9 -30.1 -8.3 25.9 33.8 96 132 A L H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.925 110.6 46.0 -66.5 -42.9 -6.8 22.4 34.0 97 133 A F H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.913 110.1 53.9 -62.6 -42.5 -6.4 22.9 37.8 98 134 A E H 3< S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 105.9 54.9 -59.4 -32.2 -10.0 24.2 37.9 99 135 A K H 3< S+ 0 0 126 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.641 78.1 112.9 -74.8 -17.0 -11.1 21.0 36.2 100 136 A Q << - 0 0 6 -3,-1.1 2,-0.1 -4,-0.7 -68,-0.1 -0.428 64.8-137.9 -62.2 122.1 -9.6 18.7 38.8 101 137 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.323 14.1-121.7 -78.2 166.3 -12.5 16.9 40.6 102 138 A D S S+ 0 0 153 -2,-0.1 2,-0.2 -68,-0.0 -2,-0.1 0.180 83.1 102.0 -94.5 19.7 -12.6 16.4 44.3 103 139 A T S S- 0 0 99 2,-0.1 4,-0.0 1,-0.1 0, 0.0 -0.608 73.4-128.4-103.7 162.1 -12.9 12.6 43.7 104 140 A E S S+ 0 0 174 -2,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.878 74.5 84.7 -78.9 -42.7 -10.3 9.8 43.9 105 141 A Q S S- 0 0 147 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.020 91.6 -72.7 -69.4 167.9 -10.5 8.0 40.6 106 142 A E + 0 0 90 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.276 51.0 160.7 -58.8 143.4 -8.8 8.8 37.2 107 143 A W + 0 0 33 -3,-0.1 2,-0.6 -6,-0.0 -1,-0.1 0.386 39.6 102.8-140.3 -12.1 -10.2 11.9 35.4 108 144 A V + 0 0 7 4,-0.1 -35,-0.1 3,-0.0 -34,-0.1 -0.742 43.1 156.5 -90.1 119.5 -7.5 12.9 33.0 109 145 A T > - 0 0 66 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.932 55.3-112.0-134.1 158.7 -8.3 11.9 29.4 110 146 A P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 119.2 56.8 -57.2 -37.6 -7.2 13.1 25.9 111 147 A G H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.920 107.0 47.0 -58.1 -46.4 -10.8 14.2 25.4 112 148 A L H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 113.3 47.9 -61.6 -47.6 -10.7 16.4 28.5 113 149 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.865 108.8 54.7 -65.0 -37.1 -7.3 17.9 27.6 114 150 A G H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.899 105.0 53.8 -57.3 -45.4 -8.5 18.6 24.0 115 151 A D H X S+ 0 0 108 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.867 109.6 47.5 -59.4 -41.2 -11.5 20.5 25.3 116 152 A L H X S+ 0 0 5 -4,-1.5 4,-1.9 2,-0.2 5,-0.3 0.914 108.9 53.3 -67.4 -44.0 -9.3 22.8 27.4 117 153 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 6,-0.3 0.914 110.1 50.9 -53.9 -42.8 -6.9 23.4 24.4 118 154 A K H < S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.9 39.5 -64.0 -41.4 -10.1 24.4 22.5 119 155 A S H < S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.687 127.5 28.3 -83.5 -20.7 -11.4 27.0 25.1 120 156 A T H < S+ 0 0 27 -4,-1.9 -28,-0.2 -5,-0.1 2,-0.2 0.625 115.4 36.7-119.3 -16.3 -8.1 28.6 26.2 121 157 A T S < S- 0 0 21 -4,-1.8 -36,-0.0 -5,-0.3 -40,-0.0 -0.593 73.8-110.0-129.9-177.8 -5.6 28.4 23.3 122 158 A K S S+ 0 0 169 -2,-0.2 2,-0.2 2,-0.1 -4,-0.1 0.400 81.1 113.9 -87.9 -8.5 -5.0 28.6 19.5 123 159 A I S S- 0 0 16 -6,-0.3 -2,-0.2 1,-0.1 -3,-0.1 -0.481 70.1-119.6 -81.6 137.8 -4.3 24.8 19.4 124 160 A K >> - 0 0 129 -2,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.564 14.9-133.8 -74.8 131.6 -6.5 22.3 17.6 125 161 A P H 3> S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.886 107.1 50.1 -49.1 -46.4 -8.1 19.6 19.8 126 162 A E H 3> S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.832 109.1 52.3 -66.9 -31.9 -7.2 16.9 17.3 127 163 A T H <> S+ 0 0 48 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.963 111.7 45.3 -64.5 -53.0 -3.5 18.1 17.1 128 164 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.938 114.3 49.1 -54.9 -49.0 -3.1 18.0 20.9 129 165 A K H X S+ 0 0 90 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.860 108.8 52.6 -64.0 -37.4 -4.7 14.6 21.1 130 166 A E H X S+ 0 0 114 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.940 110.9 47.6 -59.6 -46.9 -2.5 13.2 18.3 131 167 A N H X>S+ 0 0 16 -4,-2.5 5,-1.9 1,-0.2 4,-1.0 0.844 109.0 54.0 -66.5 -34.1 0.6 14.4 20.2 132 168 A L H <5S+ 0 0 13 -4,-2.4 3,-0.4 2,-0.2 -1,-0.2 0.936 110.9 45.8 -61.5 -46.5 -0.7 12.9 23.4 133 169 A D H <5S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 118.1 42.6 -64.2 -39.3 -1.1 9.5 21.7 134 170 A K H <5S- 0 0 125 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.599 101.7-134.8 -80.3 -10.8 2.4 9.9 20.0 135 171 A E T ><5 + 0 0 88 -4,-1.0 3,-2.0 -3,-0.4 4,-0.2 0.877 41.1 168.2 50.5 42.3 3.9 11.2 23.3 136 172 A T T 3 > S+ 0 0 28 -6,-0.3 3,-1.4 1,-0.2 4,-1.2 0.148 73.1 119.6 -99.5 21.5 6.6 15.9 24.1 138 174 A A H <> + 0 0 22 -3,-2.0 4,-2.3 1,-0.3 5,-0.2 0.835 68.6 63.1 -53.0 -37.2 8.0 13.0 26.2 139 175 A S H 3> S+ 0 0 83 -3,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.839 101.5 51.8 -59.7 -32.8 11.5 14.6 26.3 140 176 A Q H <> S+ 0 0 57 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.861 109.0 48.5 -73.6 -38.0 10.1 17.6 28.2 141 177 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.876 112.2 49.2 -67.8 -39.5 8.4 15.5 30.8 142 178 A E H X S+ 0 0 89 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.884 107.9 54.6 -67.1 -38.2 11.6 13.5 31.3 143 179 A K H X S+ 0 0 79 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.919 109.8 47.5 -56.6 -45.5 13.6 16.8 31.6 144 180 A D H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.915 109.9 52.2 -65.2 -44.1 11.2 17.9 34.4 145 181 A S H X S+ 0 0 20 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.900 107.9 51.9 -58.0 -42.8 11.6 14.5 36.1 146 182 A D H X S+ 0 0 104 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.914 111.8 46.5 -57.2 -45.6 15.4 14.9 36.0 147 183 A L H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.905 110.1 53.2 -64.3 -44.2 15.1 18.3 37.6 148 184 A N H <>S+ 0 0 12 -4,-2.8 5,-2.7 -85,-0.2 4,-0.2 0.864 111.9 45.9 -52.7 -43.9 12.6 17.0 40.2 149 185 A Q H ><5S+ 0 0 136 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.911 109.3 54.3 -70.0 -42.5 15.0 14.3 41.2 150 186 A K H 3<5S+ 0 0 157 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.898 113.9 42.2 -57.3 -42.1 18.0 16.8 41.2 151 187 A M T 3<5S- 0 0 8 -4,-2.4 -147,-2.8 -5,-0.1 -1,-0.3 0.471 109.9-126.8 -85.7 -1.9 16.0 18.9 43.7 152 188 A N T < 5 - 0 0 45 -3,-1.1 -3,-0.2 -149,-0.2 2,-0.1 0.882 31.5-163.5 59.4 41.8 14.9 15.8 45.6 153 189 A I < + 0 0 15 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.380 17.3 174.1 -60.0 129.2 11.1 16.8 45.4 154 190 A Q + 0 0 93 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.677 61.2 8.7-107.7 -30.3 9.1 14.7 48.1 155 191 A A S S- 0 0 57 -127,-0.1 -1,-0.4 -126,-0.0 -127,-0.1 -0.979 85.5 -78.7-152.8 155.2 5.6 16.1 47.9 156 192 A T S S+ 0 0 18 -2,-0.3 -121,-0.2 1,-0.2 -127,-0.2 -0.868 99.2 30.9-112.9 146.8 3.6 18.5 45.7 157 193 A P + 0 0 11 0, 0.0 2,-0.5 0, 0.0 12,-0.3 0.632 68.3 174.6 -81.3 149.9 3.5 21.4 45.5 158 194 A T E -C 28 0A 18 -130,-1.9 -130,-2.9 -2,-0.1 2,-0.5 -0.986 15.8-157.4-112.0 128.1 7.0 22.4 46.5 159 195 A I E -C 27 0A 1 -2,-0.5 7,-3.0 7,-0.4 2,-0.4 -0.902 6.1-164.2-110.5 129.7 7.6 26.1 46.1 160 196 A Y E -CD 26 165A 0 -134,-2.7 -134,-2.0 -2,-0.5 2,-0.5 -0.923 7.7-164.2-107.0 139.0 11.0 27.7 45.7 161 197 A V E > S-CD 25 164A 0 3,-2.6 3,-2.5 -2,-0.4 -136,-0.2 -0.972 74.5 -53.6-119.4 106.4 11.6 31.4 46.3 162 198 A N T 3 S- 0 0 8 -138,-3.3 -136,-0.2 -2,-0.5 -156,-0.1 -0.435 123.7 -21.7 49.3-121.2 15.0 31.9 44.6 163 199 A D T 3 S+ 0 0 65 -156,-0.2 -157,-1.7 -2,-0.2 2,-0.4 0.379 117.3 104.2 -93.8 6.9 17.1 29.2 46.4 164 200 A K E < -D 161 0A 80 -3,-2.5 -3,-2.6 -159,-0.2 2,-0.6 -0.738 64.1-139.9 -96.3 131.0 14.8 28.9 49.5 165 201 A V E -D 160 0A 41 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.787 18.2-132.3 -90.2 121.4 12.4 26.0 49.9 166 202 A I - 0 0 10 -7,-3.0 -7,-0.4 -2,-0.6 3,-0.2 -0.572 9.6-153.4 -70.7 134.3 9.0 27.1 51.3 167 203 A K S S+ 0 0 179 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.835 83.4 24.6 -78.6 -35.3 8.0 24.8 54.2 168 204 A N > - 0 0 73 3,-0.2 3,-2.2 1,-0.1 -1,-0.3 -0.896 61.1-164.0-135.6 104.3 4.2 25.2 53.7 169 205 A F T 3 S+ 0 0 37 -2,-0.4 -1,-0.1 -12,-0.3 -11,-0.1 0.707 93.9 57.4 -55.8 -22.2 2.8 26.2 50.3 170 206 A A T 3 S+ 0 0 48 1,-0.1 2,-1.0 -127,-0.0 -1,-0.3 0.446 83.9 89.7 -90.8 -5.7 -0.5 27.1 52.0 171 207 A D <> - 0 0 60 -3,-2.2 4,-2.1 1,-0.2 3,-0.3 -0.793 51.6-178.8 -97.7 92.9 1.2 29.6 54.4 172 208 A Y H > S+ 0 0 28 -2,-1.0 4,-3.4 1,-0.2 5,-0.3 0.832 80.7 61.6 -64.3 -30.2 1.0 32.9 52.5 173 209 A D H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.951 106.2 45.9 -58.3 -46.4 2.8 34.7 55.3 174 210 A E H > S+ 0 0 18 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.941 116.3 45.0 -59.8 -46.5 5.8 32.4 54.8 175 211 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -7,-0.2 5,-0.2 0.954 115.9 45.7 -65.3 -46.8 5.7 32.9 51.1 176 212 A K H X S+ 0 0 69 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.929 114.3 47.2 -63.5 -47.4 5.2 36.7 51.2 177 213 A E H X S+ 0 0 102 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.859 113.1 49.8 -61.5 -39.3 7.9 37.2 53.9 178 214 A T H X S+ 0 0 30 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.923 111.2 47.8 -70.3 -43.4 10.3 35.1 52.0 179 215 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.937 113.4 49.5 -54.3 -50.1 9.7 36.9 48.7 180 216 A E H X S+ 0 0 76 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.881 109.9 49.8 -62.8 -38.4 10.1 40.2 50.5 181 217 A K H X S+ 0 0 161 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 111.8 48.8 -66.8 -38.5 13.4 39.2 52.2 182 218 A E H X S+ 0 0 24 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.849 109.2 53.2 -67.4 -35.5 14.8 38.0 48.8 183 219 A L H < S+ 0 0 37 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.921 108.6 49.5 -63.2 -46.0 13.7 41.4 47.3 184 220 A K H < S+ 0 0 183 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.929 108.3 53.2 -58.0 -49.5 15.6 43.2 50.0 185 221 A G H < 0 0 71 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.786 360.0 360.0 -56.6 -32.4 18.7 41.1 49.4 186 222 A K < 0 0 149 -4,-1.4 -163,-0.0 -3,-0.3 0, 0.0 -0.632 360.0 360.0 -77.2 360.0 18.6 41.9 45.7