==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-OCT-07 3B4X . COMPND 2 MOLECULE: 367AA LONG HYPOTHETICAL CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR S.KAMITORI,H.YOSHIDA,A.OHTAKI,N.NAKAMURA . 367 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.5 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 . 2 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 . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 0 2 2 0 1 2 1 1 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 M > 0 0 102 0, 0.0 4,-2.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -12.5 85.0 -13.7 49.8 2 2 A Y H > + 0 0 54 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.776 360.0 53.5 -59.3 -25.6 81.7 -12.3 48.7 3 3 A D H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.898 109.0 48.3 -73.6 -40.0 82.0 -14.4 45.5 4 4 A W H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.941 111.5 50.9 -62.1 -47.0 82.6 -17.5 47.7 5 5 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.906 110.8 47.6 -56.6 -47.2 79.6 -16.5 49.8 6 6 A K H X S+ 0 0 91 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.913 113.3 48.3 -61.8 -43.0 77.3 -16.1 46.7 7 7 A Q H X S+ 0 0 104 -4,-2.5 4,-1.7 1,-0.2 5,-0.4 0.866 115.2 45.6 -65.5 -36.8 78.6 -19.5 45.4 8 8 A M H X S+ 0 0 9 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.852 106.4 58.6 -76.2 -34.8 77.9 -21.1 48.8 9 9 A R H < S+ 0 0 28 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.863 114.3 37.3 -63.0 -35.4 74.5 -19.5 49.2 10 10 A K H < S+ 0 0 163 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.826 130.4 24.5 -88.5 -32.8 73.2 -21.1 46.0 11 11 A E H < S+ 0 0 131 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.767 138.1 10.1-104.8 -29.1 74.9 -24.5 46.1 12 12 A S < + 0 0 27 -4,-1.6 -2,-0.1 -5,-0.4 -1,-0.1 -0.422 61.1 164.3-151.5 70.6 75.7 -25.3 49.7 13 13 A P S S+ 0 0 21 0, 0.0 11,-2.3 0, 0.0 2,-0.6 0.775 81.1 42.6 -56.9 -34.5 74.0 -22.8 52.1 14 14 A V E S+A 23 0A 9 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.923 88.2 174.8-117.9 99.6 74.6 -25.0 55.2 15 15 A Y E -A 22 0A 95 7,-2.6 7,-3.0 -2,-0.6 2,-0.6 -0.918 29.8-149.6-121.4 134.5 78.1 -26.3 54.7 16 16 A Y E -A 21 0A 93 -2,-0.4 5,-0.2 5,-0.2 262,-0.0 -0.856 6.9-169.1 -97.9 122.9 80.4 -28.4 56.8 17 17 A D - 0 0 64 3,-2.2 4,-0.1 -2,-0.6 -1,-0.1 0.259 59.8 -86.8 -95.1 12.1 84.1 -27.6 56.2 18 18 A G S S+ 0 0 57 2,-0.2 3,-0.1 1,-0.0 -2,-0.1 0.196 122.8 33.4 105.0 -16.2 85.5 -30.6 58.1 19 19 A K S S+ 0 0 143 1,-0.4 258,-0.4 258,-0.0 2,-0.3 0.537 120.3 21.3-136.6 -41.2 85.5 -29.0 61.5 20 20 A V S S- 0 0 4 256,-0.1 -3,-2.2 -5,-0.0 -1,-0.4 -0.959 70.6-113.9-138.1 155.2 82.5 -26.6 61.7 21 21 A W E -Ab 16 278A 23 256,-2.7 258,-3.7 -2,-0.3 2,-0.4 -0.679 30.8-153.8 -85.8 140.2 79.2 -26.0 60.1 22 22 A N E -Ab 15 279A 1 -7,-3.0 -7,-2.6 -2,-0.3 2,-0.5 -0.967 4.8-157.7-121.2 130.5 78.9 -22.7 58.2 23 23 A L E +Ab 14 280A 0 256,-3.0 258,-1.9 -2,-0.4 -9,-0.2 -0.923 18.1 167.0-108.6 122.3 75.7 -20.8 57.5 24 24 A F + 0 0 0 -11,-2.3 2,-0.3 -2,-0.5 -15,-0.1 0.565 49.5 90.9-108.6 -12.4 75.6 -18.4 54.5 25 25 A K S > S- 0 0 17 -12,-0.5 4,-2.3 1,-0.1 260,-0.2 -0.695 71.8-133.9 -91.4 138.5 71.9 -17.7 54.2 26 26 A Y H > S+ 0 0 12 -2,-0.3 4,-3.0 259,-0.2 5,-0.3 0.918 104.5 49.8 -51.9 -53.5 70.2 -14.8 56.0 27 27 A E H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 111.8 48.3 -59.0 -37.6 67.2 -16.7 57.3 28 28 A D H > S+ 0 0 16 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.891 113.8 47.3 -70.5 -37.7 69.4 -19.5 58.7 29 29 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 112.7 47.8 -67.4 -47.3 71.7 -17.0 60.4 30 30 A K H X S+ 0 0 80 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.912 111.8 51.3 -60.0 -44.5 68.9 -15.0 61.9 31 31 A M H X S+ 0 0 73 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.953 111.3 46.8 -58.1 -51.4 67.2 -18.2 63.1 32 32 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.6 50.7 -59.2 -43.3 70.3 -19.4 64.8 33 33 A L H < S+ 0 0 4 -4,-2.4 281,-0.3 1,-0.2 282,-0.3 0.876 114.1 44.1 -64.2 -38.5 71.1 -16.1 66.5 34 34 A N H < S+ 0 0 69 -4,-2.2 2,-1.6 1,-0.2 -1,-0.2 0.806 100.0 72.8 -77.1 -29.6 67.5 -15.8 67.9 35 35 A D X + 0 0 41 -4,-2.2 4,-1.9 -5,-0.2 3,-0.2 -0.569 54.5 161.1 -88.0 77.6 67.3 -19.4 69.1 36 36 A H T 4 + 0 0 42 -2,-1.6 -1,-0.2 1,-0.2 5,-0.2 0.704 67.2 63.0 -71.7 -19.1 69.7 -19.2 72.1 37 37 A K T 4 S+ 0 0 163 -3,-0.2 3,-0.2 1,-0.2 -1,-0.2 0.916 114.9 29.1 -72.1 -43.3 68.3 -22.4 73.7 38 38 A R T 4 S+ 0 0 122 1,-0.2 224,-2.6 -3,-0.2 2,-0.6 0.751 125.5 48.2 -87.3 -28.8 69.4 -24.7 70.8 39 39 A F E < S-C 261 0A 2 -4,-1.9 -1,-0.2 222,-0.2 222,-0.2 -0.852 84.9-161.5-118.0 94.1 72.4 -22.6 69.8 40 40 A S E -C 260 0A 1 220,-2.4 220,-2.1 -2,-0.6 -3,-0.1 -0.275 27.1-157.3 -75.7 156.6 74.3 -21.8 72.9 41 41 A S + 0 0 0 218,-0.2 2,-2.8 -5,-0.2 3,-0.3 0.299 65.2 113.1-109.6 0.2 77.0 -19.1 73.4 42 42 A N + 0 0 34 1,-0.2 3,-0.2 218,-0.2 29,-0.1 -0.424 34.3 137.7 -74.2 70.2 78.4 -21.1 76.3 43 43 A L + 0 0 61 -2,-2.8 -1,-0.2 1,-0.1 28,-0.1 0.499 63.3 44.6 -96.1 -8.6 81.6 -21.6 74.3 44 44 A T S S- 0 0 14 26,-0.5 -1,-0.1 -3,-0.3 -2,-0.1 0.250 111.1-102.7-122.9 13.2 84.2 -21.1 77.1 45 45 A G S > S+ 0 0 14 -3,-0.2 4,-1.9 25,-0.1 5,-0.1 0.610 78.3 134.2 77.0 12.5 82.8 -23.0 80.0 46 46 A Y T 4 S+ 0 0 2 24,-0.4 4,-0.4 19,-0.2 3,-0.3 0.963 72.2 44.1 -58.5 -56.3 81.6 -19.8 81.7 47 47 A N T >4 S+ 0 0 42 23,-0.3 3,-1.0 1,-0.2 4,-0.4 0.900 112.4 54.4 -56.6 -42.8 78.2 -21.2 82.7 48 48 A D T 34 S+ 0 0 120 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.850 115.2 35.6 -63.2 -38.8 79.6 -24.5 83.9 49 49 A K T 3X S+ 0 0 66 -4,-1.9 4,-2.6 -3,-0.3 -1,-0.2 0.214 84.8 105.6-102.9 18.4 82.2 -23.0 86.3 50 50 A L H <> S+ 0 0 36 -3,-1.0 4,-2.7 -4,-0.4 5,-0.2 0.939 81.2 51.1 -59.1 -48.0 80.0 -20.1 87.5 51 51 A E H > S+ 0 0 159 -4,-0.4 4,-1.0 -3,-0.3 -1,-0.2 0.904 110.8 48.9 -56.4 -43.2 79.3 -21.9 90.8 52 52 A M H >>S+ 0 0 96 -4,-0.2 5,-1.2 1,-0.2 4,-0.7 0.914 111.6 50.2 -62.8 -44.1 83.1 -22.4 91.2 53 53 A L H ><5S+ 0 0 7 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.914 111.8 45.4 -61.0 -47.3 83.8 -18.7 90.4 54 54 A R H 3<5S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.636 100.5 70.2 -74.5 -14.2 81.2 -17.3 92.9 55 55 A S H 3<5S- 0 0 73 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.769 116.8-107.6 -72.7 -25.7 82.4 -19.7 95.7 56 56 A G T <<5 + 0 0 55 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.1 0.352 69.1 149.0 111.6 -1.0 85.6 -17.8 95.9 57 57 A K < - 0 0 143 -5,-1.2 2,-0.5 1,-0.0 -1,-0.3 -0.518 32.3-154.9 -69.4 124.6 87.7 -20.5 94.3 58 58 A V + 0 0 140 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.889 22.1 159.7-109.1 131.5 90.6 -18.9 92.4 59 59 A F - 0 0 69 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.982 44.4 -99.2-143.6 150.4 92.4 -20.5 89.5 60 60 A F + 0 0 169 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.588 61.6 128.9 -77.5 128.2 94.6 -19.0 86.7 61 61 A D - 0 0 30 -2,-0.4 -2,-0.0 137,-0.0 3,-0.0 -0.942 63.0 -83.1-163.1 169.7 92.8 -18.4 83.5 62 62 A I > - 0 0 2 -2,-0.3 3,-1.9 96,-0.2 4,-0.2 -0.762 31.9-136.9 -90.3 128.7 92.3 -15.6 81.0 63 63 A P G > S+ 0 0 1 0, 0.0 3,-2.9 0, 0.0 139,-0.2 0.793 96.7 73.2 -48.3 -38.5 89.5 -13.1 82.0 64 64 A T G 3 S+ 0 0 21 1,-0.3 3,-0.3 93,-0.1 135,-0.0 0.541 84.3 67.4 -60.2 -7.8 88.2 -12.9 78.4 65 65 A R G < S+ 0 0 63 -3,-1.9 -1,-0.3 1,-0.2 2,-0.3 0.568 97.6 59.1 -85.3 -9.9 86.7 -16.4 78.9 66 66 A Y S < S+ 0 0 1 -3,-2.9 2,-0.3 132,-0.2 137,-0.2 -0.501 76.4 111.0-122.3 64.9 84.3 -15.0 81.4 67 67 A T S > S- 0 0 7 -3,-0.3 3,-1.4 -2,-0.3 -21,-0.1 -0.862 78.3-104.0-129.0 164.1 82.3 -12.3 79.7 68 68 A M G > S+ 0 0 12 -2,-0.3 3,-1.2 1,-0.3 12,-0.1 0.700 111.3 75.8 -61.3 -21.0 78.6 -12.0 78.8 69 69 A L G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -27,-0.0 2,-0.1 0.851 102.7 37.6 -61.0 -35.3 79.5 -12.7 75.2 70 70 A T G < S+ 0 0 18 -3,-1.4 -26,-0.5 -28,-0.1 -24,-0.4 -0.353 102.2 93.9-113.8 52.7 80.0 -16.4 75.9 71 71 A S < - 0 0 0 -3,-1.2 -29,-0.1 -29,-0.1 -5,-0.0 -0.991 58.6-142.4-142.3 148.2 77.3 -17.0 78.5 72 72 A D > - 0 0 24 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.739 45.8 -55.2-106.1 156.9 73.7 -18.2 78.3 73 73 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.302 112.9 34.6 -66.4 159.2 70.8 -16.9 80.4 74 74 A P T > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.960 129.5 41.6 -72.7 -24.3 70.1 -16.5 83.3 75 75 A L H > S+ 0 0 3 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.909 115.5 53.2 -46.4 -50.5 73.8 -15.6 83.8 76 76 A H H X S+ 0 0 2 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.928 110.7 45.2 -50.8 -53.6 73.9 -13.7 80.6 77 77 A D H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 112.1 52.4 -59.7 -43.1 70.9 -11.5 81.5 78 78 A E H X S+ 0 0 101 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.912 112.1 46.1 -60.2 -43.9 72.2 -10.9 85.0 79 79 A L H >< S+ 0 0 3 -4,-2.6 3,-1.1 -5,-0.2 4,-0.5 0.958 113.5 47.4 -64.3 -51.5 75.6 -9.8 83.6 80 80 A R H >X S+ 0 0 57 -4,-2.7 4,-2.0 1,-0.2 3,-1.5 0.879 103.1 62.8 -58.9 -41.1 74.1 -7.5 81.0 81 81 A N H 3< S+ 0 0 117 -4,-2.5 4,-0.5 1,-0.3 -1,-0.2 0.764 89.1 71.9 -56.1 -28.6 71.6 -5.9 83.4 82 82 A L T << S+ 0 0 59 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.828 121.2 8.4 -59.3 -34.1 74.6 -4.5 85.4 83 83 A T T X> S+ 0 0 2 -3,-1.5 3,-0.9 -4,-0.5 4,-0.7 0.419 95.7 107.2-127.9 -1.5 75.5 -2.0 82.7 84 84 A A G >< S+ 0 0 32 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.853 78.0 56.4 -47.3 -45.4 72.6 -2.1 80.2 85 85 A D G >4 S+ 0 0 118 -4,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.871 98.7 60.9 -58.3 -38.6 71.1 1.3 81.3 86 86 A A G <4 S+ 0 0 22 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 104.5 50.2 -62.8 -20.8 74.4 3.1 80.6 87 87 A F G << S+ 0 0 8 -3,-1.4 -1,-0.3 -4,-0.7 235,-0.2 0.411 82.5 113.9 -99.9 3.2 74.1 2.1 77.0 88 88 A N S X S- 0 0 70 -3,-1.6 3,-2.6 -4,-0.3 4,-0.5 -0.513 78.7-115.4 -73.5 140.3 70.5 3.2 76.4 89 89 A P G > S+ 0 0 81 0, 0.0 3,-1.7 0, 0.0 5,-0.2 0.858 113.5 57.6 -41.4 -51.1 70.2 6.2 73.9 90 90 A S G 3 S+ 0 0 98 1,-0.3 -4,-0.1 3,-0.1 -5,-0.0 0.640 110.4 45.7 -60.7 -13.4 68.9 8.6 76.6 91 91 A N G < S+ 0 0 75 -3,-2.6 -1,-0.3 -6,-0.2 -3,-0.1 0.391 83.1 116.2-111.6 2.5 72.0 8.0 78.6 92 92 A L S < S- 0 0 16 -3,-1.7 2,-2.6 -4,-0.5 3,-0.2 -0.456 76.2-113.5 -73.9 143.3 74.8 8.2 76.0 93 93 A P > + 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.378 49.0 165.3 -75.8 68.3 77.3 11.1 76.3 94 94 A V H > S+ 0 0 55 -2,-2.6 4,-2.2 1,-0.2 5,-0.2 0.904 70.4 47.9 -50.9 -53.2 76.1 12.8 73.1 95 95 A D H > S+ 0 0 116 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 111.0 51.3 -59.0 -42.5 77.8 16.2 73.8 96 96 A F H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.923 108.8 51.3 -60.8 -45.4 81.1 14.5 74.6 97 97 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.937 114.1 43.5 -56.9 -49.1 81.1 12.5 71.4 98 98 A R H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.922 113.7 51.1 -64.0 -45.1 80.4 15.6 69.3 99 99 A E H X S+ 0 0 105 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.928 112.8 44.4 -59.4 -47.0 83.0 17.6 71.1 100 100 A V H X S+ 0 0 17 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.899 112.1 54.1 -65.0 -40.6 85.8 15.0 70.7 101 101 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.934 108.7 47.4 -59.0 -49.1 84.8 14.5 67.1 102 102 A V H X S+ 0 0 66 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.907 112.8 48.8 -62.1 -42.2 85.2 18.2 66.2 103 103 A K H X S+ 0 0 133 -4,-1.9 4,-0.8 1,-0.2 3,-0.4 0.888 109.0 52.5 -66.6 -39.2 88.5 18.5 68.0 104 104 A L H >< S+ 0 0 18 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.875 110.9 48.2 -63.2 -37.0 90.0 15.5 66.3 105 105 A L H >< S+ 0 0 4 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.675 100.0 66.8 -76.8 -17.9 89.0 16.9 62.9 106 106 A S H 3< S+ 0 0 76 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.764 93.1 61.0 -73.5 -24.3 90.5 20.3 63.7 107 107 A E T << S+ 0 0 137 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.152 84.8 114.1 -89.5 19.5 94.0 18.8 63.7 108 108 A L < - 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0 0 5 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.829 68.7-107.5-112.0 152.2 89.5 5.7 83.1 134 134 A N - 0 0 151 -2,-0.3 2,-0.5 -3,-0.1 -5,-0.0 -0.748 42.6-123.2 -85.9 112.0 92.0 8.2 81.8 135 135 A P - 0 0 52 0, 0.0 2,-1.4 0, 0.0 3,-0.1 -0.405 27.9-176.1 -60.1 100.4 92.5 7.2 78.1 136 136 A D >> - 0 0 84 -2,-0.5 4,-2.5 1,-0.2 3,-0.6 -0.748 20.8-164.4 -94.6 81.6 96.1 6.4 77.1 137 137 A V H 3> S+ 0 0 42 -2,-1.4 4,-2.8 1,-0.2 5,-0.2 0.802 79.2 48.2 -37.6 -54.8 94.9 6.0 73.5 138 138 A K H 3> S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 114.2 47.7 -58.2 -45.8 98.0 4.2 72.1 139 139 A K H <> S+ 0 0 78 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.939 113.6 46.5 -61.8 -48.9 98.0 1.8 75.0 140 140 A V H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.891 113.2 50.6 -61.8 -38.9 94.3 1.0 74.7 141 141 A K H X S+ 0 0 15 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.939 108.6 51.1 -65.0 -45.5 94.6 0.6 71.0 142 142 A D H X S+ 0 0 79 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.896 112.9 45.5 -59.5 -41.6 97.5 -1.8 71.3 143 143 A W H X S+ 0 0 12 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.896 110.6 53.8 -68.6 -40.1 95.6 -4.0 73.8 144 144 A S H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.922 113.1 42.6 -59.3 -45.5 92.4 -3.9 71.7 145 145 A D H X S+ 0 0 43 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.877 107.2 61.6 -68.2 -38.8 94.4 -5.2 68.7 146 146 A L H < S+ 0 0 19 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.888 119.2 27.8 -53.3 -41.4 96.3 -7.7 70.8 147 147 A V H >< S+ 0 0 14 -4,-1.8 3,-1.5 2,-0.1 4,-0.2 0.926 124.0 46.4 -86.2 -54.7 92.9 -9.3 71.6 148 148 A A H >< S+ 0 0 6 -4,-3.3 3,-1.8 1,-0.3 -3,-0.2 0.873 105.6 58.9 -58.8 -43.0 90.8 -8.5 68.6 149 149 A L T 3< S+ 0 0 70 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.449 97.6 63.1 -70.9 2.7 93.4 -9.5 66.0 150 150 A R T X S+ 0 0 52 -3,-1.5 3,-1.1 -5,-0.1 7,-0.5 0.476 74.8 114.7-102.0 -5.3 93.5 -13.0 67.4 151 151 A L T < S+ 0 0 63 -3,-1.8 202,-0.5 1,-0.3 201,-0.4 -0.442 82.7 19.4 -65.7 134.0 89.8 -13.6 66.5 152 152 A G T 3 S+ 0 0 37 2,-0.2 2,-1.9 1,-0.2 -1,-0.3 -0.020 95.0 112.5 93.8 -31.2 89.6 -16.4 63.9 153 153 A R S X S- 0 0 146 -3,-1.1 3,-2.5 1,-0.1 4,-0.4 -0.569 83.5-116.1 -79.0 84.8 93.1 -17.5 64.8 154 154 A A T 3 S- 0 0 101 -2,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.280 83.7 -11.0 13.5-107.7 92.0 -20.8 66.3 155 155 A D T > S+ 0 0 108 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.170 105.7 100.1-103.9 26.8 92.9 -20.9 70.0 156 156 A E G X + 0 0 89 -3,-2.5 3,-2.2 -6,-0.3 -1,-0.2 0.751 63.2 71.4 -80.5 -25.8 95.0 -17.8 70.4 157 157 A I G 3 S+ 0 0 24 -7,-0.5 -1,-0.2 -4,-0.4 -93,-0.1 0.605 103.4 47.9 -68.0 -5.7 92.6 -15.2 71.8 158 158 A F G < S+ 0 0 50 -3,-0.6 2,-0.4 -8,-0.1 -1,-0.3 0.209 91.5 103.8-114.2 11.2 92.8 -17.2 75.0 159 159 A S < - 0 0 47 -3,-2.2 2,-0.3 -97,-0.0 -3,-0.0 -0.781 62.4-142.1 -96.3 139.0 96.6 -17.4 75.0 160 160 A I + 0 0 61 -2,-0.4 2,-0.2 4,-0.1 -2,-0.1 -0.766 26.2 156.9-107.4 147.7 98.5 -15.1 77.4 161 161 A G > - 0 0 28 -2,-0.3 4,-2.1 1,-0.0 5,-0.2 -0.714 57.9 -73.1-144.3-165.9 101.8 -13.2 77.0 162 162 A R H > S+ 0 0 225 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.931 130.2 45.9 -64.3 -47.0 103.6 -10.2 78.4 163 163 A K H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.844 113.3 50.5 -65.5 -33.9 101.3 -7.6 76.8 164 164 A Y H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 108.9 50.8 -72.3 -36.7 98.2 -9.6 77.8 165 165 A L H X S+ 0 0 85 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.850 107.3 54.9 -67.6 -33.7 99.5 -9.7 81.4 166 166 A E H X S+ 0 0 77 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.906 109.2 47.9 -64.3 -41.3 100.0 -6.0 81.3 167 167 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.931 112.5 47.5 -65.2 -47.5 96.3 -5.7 80.2 168 168 A I H X S+ 0 0 22 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.866 112.3 49.3 -64.1 -37.2 95.0 -7.9 83.0 169 169 A S H X S+ 0 0 69 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.872 110.8 50.7 -70.5 -36.1 97.0 -6.1 85.6 170 170 A F H X S+ 0 0 34 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.923 110.2 49.7 -65.9 -42.8 95.8 -2.8 84.3 171 171 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.919 113.0 46.8 -61.8 -43.0 92.2 -4.1 84.5 172 172 A K H X S+ 0 0 86 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.906 111.2 51.6 -65.6 -41.9 92.7 -5.3 88.1 173 173 A K H X S+ 0 0 134 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 113.3 44.4 -60.2 -48.3 94.4 -2.0 89.1 174 174 A E H X S+ 0 0 22 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.953 116.7 45.2 -62.7 -50.2 91.5 0.1 87.8 175 175 A L H >X S+ 0 0 1 -4,-2.6 4,-1.4 -5,-0.2 3,-1.0 0.941 113.4 48.8 -59.9 -50.7 88.8 -2.2 89.2 176 176 A D H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.871 108.1 55.6 -59.7 -36.3 90.5 -2.5 92.7 177 177 A S H 3< S+ 0 0 38 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.744 111.9 42.6 -69.6 -22.1 91.0 1.3 92.8 178 178 A R H XX S+ 0 0 42 -4,-1.0 3,-2.3 -3,-1.0 4,-1.7 0.620 85.1 108.9 -97.7 -15.9 87.2 1.9 92.3 179 179 A K T 3< S+ 0 0 117 -4,-1.4 13,-0.1 1,-0.3 4,-0.1 -0.465 97.0 5.3 -62.4 121.2 86.0 -0.9 94.6 180 180 A G T 34 S+ 0 0 70 -2,-0.3 -1,-0.3 8,-0.2 3,-0.1 0.574 125.2 72.5 80.1 8.5 84.5 1.0 97.7 181 181 A K T <4 S- 0 0 159 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.724 99.7 -4.8-120.6 -47.4 85.0 4.4 96.1 182 182 A E < - 0 0 39 -4,-1.7 -1,-0.3 6,-0.1 10,-0.2 -0.997 29.4-177.7-156.2 149.4 82.6 5.1 93.3 183 183 A I + 0 0 107 -2,-0.3 -1,-0.1 -3,-0.1 6,-0.0 -0.009 63.8 100.4-131.0 25.7 79.8 3.5 91.2 184 184 A V S S+ 0 0 118 -52,-0.0 2,-0.2 4,-0.0 -52,-0.1 0.843 81.1 45.3 -81.7 -34.0 79.1 6.4 88.8 185 185 A D S > S- 0 0 28 -54,-0.1 4,-2.1 -53,-0.1 -54,-0.2 -0.540 96.2 -99.9-105.1 173.0 81.0 5.1 85.9 186 186 A L H > S+ 0 0 3 -56,-2.3 4,-2.2 1,-0.2 5,-0.2 0.853 120.6 54.1 -59.6 -38.4 81.2 1.6 84.3 187 187 A T H > S+ 0 0 0 -56,-1.6 4,-2.9 -57,-0.2 -1,-0.2 0.924 110.4 47.2 -63.1 -43.3 84.4 0.7 86.0 188 188 A G H > S+ 0 0 0 -57,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.866 110.1 52.3 -65.8 -38.0 82.9 1.5 89.4 189 189 A K H < S+ 0 0 63 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.904 114.7 41.9 -66.0 -40.8 79.7 -0.4 88.7 190 190 A I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 5,-0.4 0.960 114.1 51.7 -69.7 -48.9 81.7 -3.5 87.7 191 191 A A H 3< S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.831 113.6 43.7 -55.8 -38.3 84.2 -3.2 90.6 192 192 A N T 3< S+ 0 0 50 -4,-2.1 -1,-0.3 -10,-0.2 -2,-0.2 0.205 95.1 103.6 -95.8 15.8 81.4 -2.9 93.2 193 193 A S S < S- 0 0 15 -3,-1.8 2,-0.1 3,-0.1 -3,-0.1 -0.324 84.3-107.2 -88.7 176.4 79.3 -5.7 91.8 194 194 A N S S+ 0 0 156 -2,-0.1 2,-0.2 6,-0.0 -3,-0.1 -0.200 78.0 116.9 -99.9 43.0 79.0 -9.2 93.3 195 195 A L S S- 0 0 26 -5,-0.4 2,-0.1 -2,-0.1 -2,-0.0 -0.640 72.4 -94.3-103.1 164.0 81.0 -10.9 90.5 196 196 A S > - 0 0 20 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.383 37.0-109.0 -74.2 157.9 84.3 -12.8 91.0 197 197 A E H > S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.871 121.2 52.4 -53.7 -40.0 87.5 -10.9 90.4 198 198 A L H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 110.4 46.4 -66.3 -40.5 88.0 -12.9 87.2 199 199 A E H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.907 110.3 53.6 -68.6 -41.6 84.6 -12.0 85.9 200 200 A K H X S+ 0 0 19 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 109.6 48.8 -57.5 -44.5 85.0 -8.3 86.8 201 201 A E H X S+ 0 0 17 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.932 112.6 47.1 -61.7 -46.6 88.3 -8.3 84.8 202 202 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.901 112.9 49.1 -62.1 -41.7 86.6 -10.0 81.8 203 203 A Y H X S+ 0 0 4 -4,-2.9 4,-2.3 -137,-0.2 -2,-0.2 0.923 113.7 46.3 -63.8 -45.7 83.6 -7.6 81.9 204 204 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.928 114.6 47.0 -63.2 -46.1 85.9 -4.6 82.1 205 205 A I H X S+ 0 0 2 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.902 110.3 53.2 -63.6 -41.3 88.1 -5.8 79.3 206 206 A L H X>S+ 0 0 30 -4,-2.8 4,-2.6 1,-0.2 5,-0.6 0.952 110.8 45.7 -58.9 -51.4 85.2 -6.7 77.1 207 207 A L H <5S+ 0 0 12 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.868 114.5 48.7 -62.0 -37.2 83.7 -3.2 77.4 208 208 A M H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.913 121.8 32.0 -69.9 -43.1 87.0 -1.5 76.8 209 209 A I H >X5S+ 0 0 11 -4,-2.6 3,-2.0 2,-0.2 4,-1.8 0.933 120.8 45.2 -80.8 -53.5 87.9 -3.5 73.7 210 210 A A T 3<5S+ 0 0 58 -4,-2.6 4,-0.3 -5,-0.3 5,-0.2 0.755 103.8 75.6 -62.5 -18.4 84.6 -4.2 72.1 211 211 A G T 34 S+ 0 0 0 -3,-2.0 4,-2.3 -86,-0.1 5,-0.2 0.568 106.0 77.5-145.1 -39.3 86.3 0.6 70.0 213 213 A E H X S+ 0 0 6 -4,-1.8 4,-1.4 1,-0.2 -3,-0.1 0.886 105.1 36.0 -47.4 -54.2 87.6 -2.0 67.5 214 214 A T H > S+ 0 0 43 -4,-0.3 4,-2.1 -5,-0.2 -1,-0.2 0.776 114.2 56.8 -76.2 -27.1 84.5 -2.4 65.5 215 215 A T H > S+ 0 0 9 -5,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.853 105.4 52.3 -72.3 -33.3 83.4 1.2 65.7 216 216 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.923 110.5 48.2 -65.0 -43.9 86.8 2.2 64.2 217 217 A N H X S+ 0 0 2 -4,-1.4 4,-3.0 -5,-0.2 -2,-0.2 0.883 110.4 52.0 -63.6 -40.1 86.1 -0.2 61.4 218 218 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 111.6 44.9 -62.8 -48.0 82.6 1.2 60.9 219 219 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 117.8 44.3 -63.5 -44.6 83.7 4.8 60.6 220 220 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.921 114.2 49.3 -66.3 -43.3 86.6 3.9 58.3 221 221 A N H X S+ 0 0 2 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.868 111.7 49.8 -64.0 -36.7 84.4 1.6 56.2 222 222 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.912 107.9 51.6 -69.1 -44.0 81.7 4.3 55.9 223 223 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.911 114.2 46.2 -59.6 -39.3 84.2 7.0 54.8 224 224 A E H X S+ 0 0 16 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.966 115.4 44.6 -65.0 -53.4 85.4 4.5 52.2 225 225 A D H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.905 112.8 50.0 -59.3 -46.4 81.9 3.5 51.0 226 226 A F H <>S+ 0 0 0 -4,-3.3 5,-2.5 2,-0.2 6,-0.7 0.863 115.2 45.1 -61.5 -37.3 80.5 7.1 50.9 227 227 A T H ><5S+ 0 0 20 -4,-1.5 3,-1.4 -5,-0.3 -2,-0.2 0.982 115.2 45.0 -70.0 -56.7 83.5 8.2 48.9 228 228 A L H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.892 123.4 35.8 -53.5 -46.5 83.5 5.3 46.4 229 229 A Y T 3<5S- 0 0 91 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.265 108.9-120.1 -96.2 12.8 79.7 5.4 45.9 230 230 A N T < 5 + 0 0 143 -3,-1.4 4,-0.3 -4,-0.2 -3,-0.2 0.900 61.6 144.7 50.9 54.2 79.4 9.2 46.1 231 231 A S >< + 0 0 4 -5,-2.5 4,-2.3 -6,-0.2 5,-0.2 0.464 39.1 96.6 -97.2 -2.8 77.0 9.3 49.1 232 232 A W H > S+ 0 0 18 -6,-0.7 4,-2.5 1,-0.2 5,-0.2 0.870 81.8 49.7 -59.0 -41.3 78.4 12.5 50.7 233 233 A D H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.1 51.8 -63.5 -40.8 75.9 15.0 49.3 234 234 A Y H > S+ 0 0 44 -4,-0.3 4,-2.7 1,-0.2 5,-0.4 0.918 110.7 47.3 -60.8 -43.8 73.1 12.7 50.4 235 235 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 110.8 51.5 -67.2 -37.7 74.5 12.6 53.9 236 236 A R H < S+ 0 0 72 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.875 118.8 36.9 -65.9 -35.9 75.0 16.4 54.1 237 237 A E H < S+ 0 0 132 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.823 133.5 22.8 -86.3 -31.2 71.4 17.0 53.0 238 238 A K H < S- 0 0 142 -4,-2.7 3,-0.2 1,-0.3 -3,-0.2 0.537 104.0-116.6-112.8 -10.4 69.7 14.1 54.8 239 239 A G < - 0 0 18 -4,-2.4 4,-0.3 -5,-0.4 -1,-0.3 -0.277 32.2 -85.8 93.7 173.4 72.0 13.2 57.7 240 240 A A S > S+ 0 0 0 1,-0.1 4,-2.8 88,-0.1 5,-0.3 0.289 89.4 108.2-105.7 10.7 73.7 9.8 58.1 241 241 A L H > S+ 0 0 123 -3,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.945 92.7 28.6 -53.5 -55.7 71.1 7.7 59.9 242 242 A K H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 117.9 59.1 -75.2 -34.2 70.2 5.5 56.9 243 243 A A H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.887 103.0 53.0 -61.1 -39.2 73.7 5.8 55.4 244 244 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 107.1 52.4 -63.1 -39.1 75.3 4.3 58.5 245 245 A E H X S+ 0 0 31 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.906 109.6 48.0 -65.6 -38.4 72.9 1.3 58.3 246 246 A E H X S+ 0 0 0 -4,-2.0 4,-3.2 54,-0.3 5,-0.3 0.892 110.0 52.4 -69.0 -35.3 73.9 0.7 54.7 247 247 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.922 109.7 50.4 -63.4 -41.6 77.6 0.9 55.6 248 248 A L H < S+ 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.887 115.3 42.1 -62.0 -41.2 76.9 -1.6 58.4 249 249 A R H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.955 121.5 39.2 -69.9 -51.0 75.2 -4.0 55.9 250 250 A F H < S+ 0 0 13 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.816 131.2 24.3 -69.8 -37.6 77.7 -3.5 53.0 251 251 A S S < S- 0 0 11 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.494 79.8-167.0-131.0 62.7 80.9 -3.4 55.1 252 252 A P - 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