==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUL-10 2XN8 . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450 125; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.OUELLET,P.M.KELLS,P.R.ORTIZ DE MONTELLANO,L.M.PODUST . 409 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.8 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 . 29 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 2 1 0 0 4 2 1 0 0 1 0 1 0 2 1 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 19 A S 0 0 122 0, 0.0 31,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 89.5 -10.5 -29.8 -9.3 2 20 A P - 0 0 22 0, 0.0 2,-1.3 0, 0.0 26,-0.1 -0.276 360.0-109.7 -78.8 159.6 -10.6 -26.1 -8.3 3 21 A N + 0 0 133 24,-0.1 24,-0.1 21,-0.1 25,-0.1 -0.727 65.8 131.7 -91.4 91.3 -13.7 -23.9 -8.7 4 22 A L - 0 0 33 -2,-1.3 3,-0.1 23,-0.1 4,-0.0 -0.958 61.3 -88.6-134.8 157.9 -12.8 -21.6 -11.5 5 23 A P > - 0 0 74 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.253 58.7 -83.5 -63.7 150.8 -14.4 -20.5 -14.7 6 24 A P T 3 S+ 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.330 114.9 5.5 -52.3 126.8 -13.9 -22.5 -17.9 7 25 A G T 3 S+ 0 0 71 1,-0.2 33,-0.1 -3,-0.1 30,-0.0 0.593 85.3 170.6 74.9 12.1 -10.6 -21.5 -19.6 8 26 A F < - 0 0 24 -3,-2.0 2,-0.5 1,-0.1 -1,-0.2 -0.288 15.2-162.5 -56.7 136.6 -9.6 -19.2 -16.8 9 27 A D > - 0 0 13 1,-0.1 3,-2.0 42,-0.0 6,-0.2 -0.958 16.5-154.6-128.3 118.5 -6.0 -18.1 -17.3 10 28 A F T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.518 96.7 53.3 -67.8 -9.2 -4.0 -16.5 -14.4 11 29 A T T 3 S+ 0 0 0 69,-0.1 -1,-0.3 4,-0.0 284,-0.0 0.276 75.2 128.6-102.9 9.6 -1.8 -14.6 -16.9 12 30 A D X> - 0 0 56 -3,-2.0 3,-1.6 1,-0.2 4,-1.0 -0.478 50.8-152.5 -69.5 117.5 -4.6 -13.0 -18.8 13 31 A P H 3> S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 379,-0.5 0.765 91.1 69.2 -62.9 -22.2 -3.9 -9.3 -18.9 14 32 A A H 34 S+ 0 0 47 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.761 97.5 53.3 -67.1 -27.5 -7.6 -8.5 -19.1 15 33 A I H X> S+ 0 0 19 -3,-1.6 4,-2.2 -6,-0.2 3,-2.0 0.979 109.5 46.2 -65.0 -54.5 -7.9 -9.7 -15.5 16 34 A Y H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.719 99.2 68.9 -69.3 -25.8 -5.1 -7.3 -14.1 17 35 A A T 3< S+ 0 0 34 -4,-1.7 372,-0.5 1,-0.2 -1,-0.3 0.744 119.2 21.3 -59.2 -20.9 -6.5 -4.3 -16.1 18 36 A E T <4 S- 0 0 169 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.723 129.7 -21.9-117.2 -32.5 -9.4 -4.5 -13.6 19 37 A R < - 0 0 100 -4,-2.2 -1,-0.4 -5,-0.1 0, 0.0 -0.968 60.1 -94.2-169.3 165.5 -8.4 -6.4 -10.4 20 38 A L - 0 0 31 -2,-0.3 2,-2.1 -3,-0.1 3,-0.3 -0.881 41.0-124.7 -93.5 136.3 -6.0 -8.9 -8.8 21 39 A P > + 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.386 54.5 151.1 -83.9 62.8 -7.6 -12.4 -8.9 22 40 A V H > + 0 0 50 -2,-2.1 4,-2.4 1,-0.2 5,-0.1 0.889 66.9 50.2 -61.2 -47.3 -7.3 -12.8 -5.2 23 41 A A H > S+ 0 0 70 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.895 110.5 51.6 -60.8 -39.7 -10.3 -15.1 -4.7 24 42 A E H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.893 109.5 47.7 -69.5 -41.5 -9.0 -17.4 -7.5 25 43 A F H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.897 111.1 52.3 -62.8 -38.6 -5.5 -17.7 -6.0 26 44 A A H X S+ 0 0 30 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.890 107.2 53.6 -62.8 -38.5 -7.2 -18.4 -2.6 27 45 A E H X S+ 0 0 45 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.884 110.1 46.4 -60.8 -47.7 -9.2 -21.2 -4.3 28 46 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.919 109.7 52.7 -63.2 -48.4 -6.1 -22.8 -5.7 29 47 A R H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.7 39.8 -52.8 -39.4 -4.2 -22.7 -2.4 30 48 A S H < S+ 0 0 107 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.884 135.3 13.5 -70.7 -46.5 -7.1 -24.4 -0.7 31 49 A A H < S+ 0 0 50 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.588 137.7 12.0-116.9 -27.2 -8.1 -26.9 -3.4 32 50 A A < + 0 0 13 -4,-2.4 -1,-0.1 -5,-0.4 -2,-0.1 -0.461 59.3 176.7-158.1 72.1 -5.4 -27.3 -6.1 33 51 A P S S+ 0 0 50 0, 0.0 23,-1.6 0, 0.0 2,-0.5 0.741 82.6 36.9 -69.6 -17.3 -2.2 -25.6 -5.0 34 52 A I E S+A 55 0A 14 21,-0.2 2,-0.4 -6,-0.1 21,-0.2 -0.965 87.7 172.9-125.0 113.4 -0.3 -26.8 -8.1 35 53 A W E -A 54 0A 51 19,-1.7 19,-3.4 -2,-0.5 2,-0.6 -0.958 37.0-117.7-133.6 135.9 -2.8 -26.6 -11.0 36 54 A W E -A 53 0A 86 -2,-0.4 2,-1.1 17,-0.2 17,-0.2 -0.655 23.9-161.1 -75.7 118.2 -2.5 -27.0 -14.7 37 55 A N E -A 52 0A 0 15,-3.2 15,-0.9 -2,-0.6 -1,-0.1 -0.736 15.2-153.8-100.7 79.4 -3.5 -23.7 -16.4 38 56 A G E -A 51 0A 36 -2,-1.1 2,-0.4 13,-0.2 13,-0.3 -0.205 5.9-158.2 -57.7 149.3 -4.4 -24.8 -19.9 39 57 A Q - 0 0 14 11,-2.4 5,-0.2 -30,-0.1 3,-0.1 -0.997 16.0-124.7-132.7 123.9 -4.0 -22.2 -22.7 40 58 A D > - 0 0 122 -2,-0.4 3,-2.3 3,-0.2 10,-0.1 -0.268 48.2 -78.0 -59.0 153.9 -5.9 -22.4 -26.1 41 59 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.304 121.4 13.4 -55.8 135.3 -3.7 -22.3 -29.3 42 60 A G T 3 S+ 0 0 37 5,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.393 111.2 85.8 80.1 -2.1 -2.7 -18.7 -30.0 43 61 A K < + 0 0 115 -3,-2.3 -3,-0.2 1,-0.1 5,-0.1 -0.002 55.4 100.9-117.3 25.9 -3.8 -17.6 -26.5 44 62 A G S > S- 0 0 3 3,-0.3 3,-1.2 40,-0.2 -1,-0.1 0.197 93.6-110.6-100.3 18.0 -0.6 -18.4 -24.6 45 63 A G T 3 S- 0 0 0 1,-0.2 37,-1.7 -3,-0.2 39,-0.2 0.855 88.7 -37.3 58.2 34.3 1.0 -14.9 -24.4 46 64 A G T 3 S+ 0 0 3 1,-0.4 2,-0.4 38,-0.3 -1,-0.2 0.287 119.7 104.9 100.8 -10.4 3.7 -15.9 -26.8 47 65 A F < - 0 0 6 -3,-1.2 -1,-0.4 33,-0.2 -3,-0.3 -0.840 48.8-167.0-105.9 140.4 4.2 -19.5 -25.6 48 66 A H + 0 0 140 -2,-0.4 -1,-0.0 1,-0.1 -3,-0.0 -0.283 57.6 103.8-122.1 45.9 2.8 -22.4 -27.8 49 67 A D S S- 0 0 64 -5,-0.1 -1,-0.1 2,-0.1 267,-0.1 0.269 92.4-106.1-117.7 4.9 3.1 -25.2 -25.3 50 68 A G S S- 0 0 37 -3,-0.2 -11,-2.4 -10,-0.1 2,-0.3 0.386 75.1 -46.0 91.9 -7.2 -0.6 -25.5 -24.3 51 69 A G E -A 38 0A 0 -13,-0.3 265,-0.5 -7,-0.1 2,-0.3 -0.942 56.3-109.9 144.1-163.0 -0.3 -24.0 -20.8 52 70 A F E -A 37 0A 0 -15,-0.9 -15,-3.2 -2,-0.3 2,-0.6 -0.969 31.8 -90.7-160.5 162.9 1.7 -24.1 -17.6 53 71 A W E -Ab 36 317A 40 263,-2.5 265,-3.2 -2,-0.3 2,-0.6 -0.782 35.7-140.1 -86.8 122.3 1.6 -25.1 -13.9 54 72 A A E -Ab 35 318A 0 -19,-3.4 -19,-1.7 -2,-0.6 2,-0.5 -0.748 14.8-157.8 -79.4 122.8 0.3 -22.4 -11.7 55 73 A I E +Ab 34 319A 0 263,-2.8 265,-2.6 -2,-0.6 269,-0.2 -0.928 22.6 162.9-107.8 124.2 2.3 -22.4 -8.4 56 74 A T + 0 0 0 -23,-1.6 2,-0.3 -2,-0.5 -1,-0.1 0.557 43.3 83.9-122.2 -14.7 0.4 -20.8 -5.5 57 75 A K S > S- 0 0 18 -24,-0.4 4,-2.1 1,-0.1 267,-0.2 -0.742 70.2-133.1-104.6 144.0 2.1 -21.9 -2.3 58 76 A L H > S+ 0 0 8 -2,-0.3 4,-2.3 266,-0.3 5,-0.2 0.916 105.0 54.1 -59.8 -45.7 5.2 -20.2 -0.8 59 77 A N H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 109.7 48.9 -59.1 -37.7 7.1 -23.4 -0.0 60 78 A D H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 108.1 52.9 -68.9 -39.8 6.8 -24.4 -3.7 61 79 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.922 112.0 46.5 -58.5 -47.1 7.9 -21.0 -4.9 62 80 A K H X S+ 0 0 99 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.885 111.2 51.5 -62.7 -38.9 11.0 -21.4 -2.7 63 81 A E H X S+ 0 0 64 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.942 112.3 44.9 -66.5 -45.8 11.7 -25.0 -3.9 64 82 A I H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.921 113.0 53.0 -60.2 -43.2 11.5 -24.0 -7.6 65 83 A S H < S+ 0 0 6 -4,-2.3 289,-0.6 -5,-0.2 3,-0.3 0.829 109.0 48.6 -60.1 -37.2 13.7 -21.0 -6.9 66 84 A R H < S+ 0 0 179 -4,-2.0 2,-1.9 1,-0.2 -1,-0.2 0.920 103.2 62.5 -70.2 -44.1 16.4 -23.0 -5.2 67 85 A H >X + 0 0 57 -4,-2.0 4,-3.2 1,-0.2 3,-1.1 -0.400 56.4 152.8 -91.5 68.4 16.6 -25.7 -7.9 68 86 A S T 34 + 0 0 41 -2,-1.9 5,-0.2 -3,-0.3 -1,-0.2 0.589 65.8 66.9 -75.8 -12.5 17.8 -23.6 -10.8 69 87 A D T 34 S+ 0 0 114 -3,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.802 116.8 28.0 -69.9 -29.1 19.5 -26.5 -12.5 70 88 A V T <4 S+ 0 0 0 -3,-1.1 231,-2.0 1,-0.2 2,-1.1 0.849 120.6 54.3 -95.3 -47.4 16.0 -28.0 -13.0 71 89 A F E < S-C 300 0A 0 -4,-3.2 2,-0.2 -7,-0.3 229,-0.2 -0.744 83.8-157.9-100.1 95.6 13.9 -24.9 -13.2 72 90 A S E -C 299 0A 0 227,-2.8 227,-1.9 -2,-1.1 4,-0.3 -0.527 26.6-171.4 -83.7 140.0 15.5 -22.8 -15.9 73 91 A S S > S+ 0 0 0 -2,-0.2 4,-0.9 -5,-0.2 3,-0.2 0.798 89.4 53.7 -85.8 -39.2 15.3 -19.0 -16.4 74 92 A Y T 4 S+ 0 0 95 1,-0.2 21,-0.1 2,-0.2 -1,-0.1 0.855 91.3 71.7 -62.7 -41.3 17.0 -19.1 -19.8 75 93 A E T 4 S- 0 0 78 1,-0.3 -1,-0.2 224,-0.2 -2,-0.1 0.867 127.6 -5.8 -57.3 -42.8 14.9 -21.7 -21.6 76 94 A N T 4 S- 0 0 20 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.222 104.2-112.9-129.0 13.9 11.7 -19.5 -22.0 77 95 A G < - 0 0 2 -4,-0.9 -1,-0.3 23,-0.2 -3,-0.1 -0.070 31.3 -91.0 65.0 179.6 12.7 -16.5 -20.1 78 96 A V S S+ 0 0 0 218,-0.1 219,-2.6 -3,-0.1 -1,-0.1 0.610 95.5 95.2-105.8 -14.9 11.0 -15.5 -16.9 79 97 A I - 0 0 26 217,-0.2 217,-0.1 1,-0.1 3,-0.1 -0.663 58.1-161.9 -80.1 126.6 8.2 -13.2 -18.1 80 98 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 0.421 66.0 44.4 -92.3 1.9 5.1 -15.5 -18.5 81 99 A R + 0 0 22 -35,-0.1 312,-0.2 -69,-0.0 2,-0.2 -0.915 52.4 151.4-153.1 121.8 3.0 -13.2 -20.8 82 100 A F - 0 0 43 -37,-1.7 -35,-0.1 -2,-0.3 9,-0.0 -0.717 65.1 -54.5-121.0-176.2 3.6 -11.1 -23.9 83 101 A K > - 0 0 63 -2,-0.2 3,-2.1 1,-0.1 -1,-0.1 -0.365 59.0-118.7 -53.2 136.4 1.3 -10.1 -26.8 84 102 A N T 3 S+ 0 0 52 1,-0.3 -38,-0.3 -39,-0.2 -40,-0.2 0.802 111.2 50.3 -56.1 -31.5 -0.1 -13.4 -28.2 85 103 A D T 3 S+ 0 0 146 -40,-0.1 -1,-0.3 -42,-0.1 -2,-0.1 0.290 77.6 138.4 -90.9 10.4 1.5 -12.9 -31.6 86 104 A I < - 0 0 34 -3,-2.1 2,-0.2 1,-0.1 -4,-0.1 -0.283 57.8-115.2 -59.7 138.4 5.0 -12.0 -30.4 87 105 A A >> - 0 0 48 1,-0.1 3,-1.1 4,-0.0 4,-0.7 -0.509 19.6-121.2 -70.7 147.8 7.8 -13.6 -32.5 88 106 A R H >> S+ 0 0 93 1,-0.3 4,-2.3 2,-0.2 3,-1.1 0.864 110.6 62.3 -59.3 -38.5 9.9 -16.2 -30.7 89 107 A E H 3> S+ 0 0 136 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.820 99.0 56.2 -60.5 -28.4 13.1 -14.3 -31.4 90 108 A D H <4 S+ 0 0 38 -3,-1.1 4,-0.3 2,-0.2 -1,-0.3 0.723 108.0 47.4 -78.1 -24.7 11.7 -11.3 -29.3 91 109 A I H X< S+ 0 0 2 -3,-1.1 3,-1.2 -4,-0.7 -2,-0.2 0.909 112.1 51.3 -71.5 -44.1 11.2 -13.7 -26.3 92 110 A E H >< S+ 0 0 72 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.751 96.1 67.0 -71.0 -26.1 14.8 -15.1 -26.8 93 111 A V G >< S+ 0 0 76 -4,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.776 83.9 74.6 -66.8 -22.0 16.5 -11.7 -26.9 94 112 A Q G X S+ 0 0 28 -3,-1.2 3,-1.6 1,-0.3 6,-0.4 0.690 76.7 79.4 -56.9 -20.8 15.6 -11.3 -23.3 95 113 A R G < S+ 0 0 44 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.539 73.5 77.0 -66.4 -10.2 18.4 -13.8 -22.7 96 114 A F G < S+ 0 0 120 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.3 0.635 85.3 73.8 -74.6 -14.2 20.9 -10.9 -23.0 97 115 A V S X S- 0 0 21 -3,-1.6 3,-1.9 -4,-0.2 144,-0.1 -0.779 90.6-121.8 -99.2 149.3 20.0 -9.7 -19.5 98 116 A M G > S+ 0 0 14 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.791 106.0 69.5 -62.6 -26.0 21.2 -11.6 -16.5 99 117 A L G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.810 103.3 44.9 -60.2 -29.7 17.6 -12.3 -15.2 100 118 A N G < S+ 0 0 3 -3,-1.9 2,-0.3 -6,-0.4 -1,-0.3 -0.033 98.1 97.8-105.2 27.0 17.0 -14.7 -18.1 101 119 A M < - 0 0 27 -3,-1.8 2,-0.2 -5,-0.1 -28,-0.1 -0.864 55.8-152.7-112.2 149.9 20.4 -16.5 -17.9 102 120 A D >> - 0 0 33 -2,-0.3 4,-2.6 -29,-0.1 3,-0.7 -0.689 42.8 -42.8-102.6 170.5 21.3 -19.8 -16.2 103 121 A A T 34 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.3 0, 0.0 -0.455 117.5 30.9 -58.2 143.4 24.6 -21.0 -14.7 104 122 A P T 3> S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 -0.996 129.1 37.7 -84.7 -14.8 27.3 -20.7 -15.8 105 123 A H H <> S+ 0 0 132 -3,-0.7 4,-1.9 1,-0.2 -2,-0.3 0.900 120.3 47.1 -65.3 -42.5 26.7 -17.4 -17.5 106 124 A H H X S+ 0 0 6 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.902 107.6 56.7 -59.6 -43.7 24.4 -16.1 -14.8 107 125 A T H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 108.2 47.0 -61.2 -43.3 26.8 -17.0 -12.0 108 126 A R H X S+ 0 0 75 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.939 115.1 45.3 -64.3 -47.2 29.6 -15.0 -13.4 109 127 A L H X S+ 0 0 13 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.887 111.5 52.5 -67.9 -36.8 27.5 -11.9 -14.0 110 128 A R H X S+ 0 0 54 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.915 108.2 50.9 -63.5 -43.1 25.8 -12.1 -10.6 111 129 A K H < S+ 0 0 131 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.905 114.7 43.4 -65.9 -36.4 29.2 -12.3 -8.8 112 130 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.946 114.3 47.9 -72.5 -47.9 30.5 -9.2 -10.7 113 131 A I H >< S+ 0 0 3 -4,-2.7 3,-2.6 1,-0.3 4,-0.3 0.779 93.4 76.5 -70.0 -23.0 27.3 -7.1 -10.4 114 132 A S G >< S+ 0 0 47 -4,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.749 81.2 73.0 -57.5 -25.4 27.0 -7.8 -6.6 115 133 A R G X S+ 0 0 49 -3,-1.4 3,-0.7 -4,-0.4 -1,-0.3 0.714 91.4 57.1 -53.5 -28.4 29.9 -5.3 -6.3 116 134 A G G < S+ 0 0 0 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.577 105.2 49.8 -87.3 -5.3 27.3 -2.6 -7.1 117 135 A F G < S+ 0 0 26 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 -0.010 74.9 135.6-127.2 27.0 25.0 -3.5 -4.2 118 136 A T S <> S- 0 0 55 -3,-0.7 4,-2.9 1,-0.1 5,-0.3 -0.280 71.0-104.5 -67.5 162.0 27.3 -3.7 -1.2 119 137 A P H > S+ 0 0 120 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.919 124.7 48.8 -51.6 -45.9 26.2 -2.1 2.1 120 138 A R H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -3,-0.0 0.919 110.5 49.3 -60.4 -45.7 28.6 0.8 1.4 121 139 A A H 4 S+ 0 0 12 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.918 116.5 41.4 -64.5 -45.3 27.4 1.3 -2.2 122 140 A V H >X S+ 0 0 13 -4,-2.9 3,-1.9 1,-0.2 4,-0.5 0.928 112.7 52.9 -68.2 -42.0 23.8 1.4 -1.2 123 141 A G H >< S+ 0 0 43 -4,-2.7 3,-1.3 -5,-0.3 4,-0.5 0.839 97.8 67.6 -67.1 -25.4 24.3 3.5 1.9 124 142 A R T 3< S+ 0 0 165 -4,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.716 99.7 50.8 -63.6 -19.9 26.2 6.1 -0.2 125 143 A L T <> S+ 0 0 18 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.3 0.591 86.9 89.8 -89.1 -15.7 22.9 6.8 -1.9 126 144 A H H S+ 0 0 103 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.910 114.7 47.3 -61.6 -42.3 21.3 11.1 1.9 128 146 A E H > S+ 0 0 66 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.922 114.2 47.5 -63.5 -45.6 20.6 12.2 -1.7 129 147 A L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.845 110.4 52.6 -62.1 -35.5 17.5 10.0 -1.9 130 148 A Q H X S+ 0 0 80 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.930 111.6 45.9 -66.8 -46.4 16.3 11.3 1.4 131 149 A E H X S+ 0 0 124 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.935 115.1 46.6 -59.5 -48.0 16.6 14.9 0.2 132 150 A R H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.895 110.6 52.8 -60.9 -42.9 15.0 14.1 -3.1 133 151 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.925 107.9 52.5 -58.1 -44.5 12.1 12.2 -1.3 134 152 A Q H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.910 111.9 44.5 -59.8 -45.3 11.5 15.3 0.9 135 153 A K H X S+ 0 0 133 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.895 110.7 54.2 -69.6 -36.8 11.2 17.6 -2.1 136 154 A I H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.973 113.4 42.7 -60.3 -47.8 9.0 15.1 -4.1 137 155 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.924 115.4 49.3 -70.6 -41.3 6.5 14.9 -1.2 138 156 A A H X S+ 0 0 36 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.910 111.7 47.5 -59.3 -43.7 6.7 18.7 -0.5 139 157 A E H X S+ 0 0 111 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.871 114.1 47.7 -69.6 -37.1 6.1 19.7 -4.1 140 158 A A H >X S+ 0 0 4 -4,-2.2 3,-1.2 -5,-0.3 4,-0.5 0.955 111.4 49.9 -65.4 -52.0 3.2 17.2 -4.4 141 159 A A H >< S+ 0 0 24 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.924 107.1 55.3 -54.5 -40.6 1.6 18.5 -1.1 142 160 A A H 3< S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.755 98.5 62.6 -63.5 -29.4 1.9 22.1 -2.3 143 161 A A H << S- 0 0 56 -3,-1.2 2,-2.1 -4,-0.9 -1,-0.3 0.558 97.4-143.6 -69.8 -12.5 -0.1 21.2 -5.5 144 162 A G << + 0 0 21 -3,-1.8 261,-1.6 -4,-0.5 262,-0.9 -0.400 69.2 7.9 85.6 -65.3 -3.1 20.2 -3.2 145 163 A S E S+E 404 0B 50 -2,-2.1 2,-0.3 259,-0.3 259,-0.2 -0.969 74.3 121.0-148.0 158.2 -4.3 17.2 -5.3 146 164 A G E -E 403 0B 9 257,-2.1 257,-3.0 -2,-0.3 2,-0.9 -0.982 65.5 -37.8 172.4-171.2 -3.0 15.3 -8.3 147 165 A D E > -E 402 0B 11 -2,-0.3 4,-3.2 255,-0.2 5,-0.3 -0.749 43.9-158.8 -83.0 107.8 -2.0 11.9 -9.6 148 166 A F H >>S+ 0 0 0 253,-2.9 4,-2.3 -2,-0.9 5,-2.1 0.840 89.3 58.8 -54.7 -36.1 -0.2 10.2 -6.7 149 167 A V H 4>S+ 0 0 3 252,-0.3 5,-2.0 3,-0.2 -1,-0.2 0.961 115.7 32.0 -61.7 -51.3 1.5 7.8 -9.3 150 168 A E H 45S+ 0 0 112 3,-0.2 5,-0.3 1,-0.2 -2,-0.2 0.902 126.6 39.5 -72.4 -41.4 3.1 10.6 -11.2 151 169 A Q H <5S+ 0 0 73 -4,-3.2 -11,-0.2 3,-0.1 -3,-0.2 0.686 134.2 11.8 -91.9 -15.3 3.7 13.2 -8.5 152 170 A V T <5S+ 0 0 1 -4,-2.3 4,-0.4 -5,-0.3 -3,-0.2 0.709 127.0 40.3-125.0 -48.3 4.8 10.9 -5.6 153 171 A S T S+ 0 0 75 -5,-0.3 4,-2.4 1,-0.2 3,-0.4 0.887 97.8 59.3 -71.3 -42.9 10.5 9.8 -9.5 156 174 A L H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.896 103.9 51.0 -61.3 -42.7 12.4 8.3 -6.5 157 175 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.882 112.5 49.4 -57.9 -38.7 12.9 4.8 -8.0 158 176 A L H X S+ 0 0 5 -4,-0.9 4,-2.8 -3,-0.4 -2,-0.2 0.911 110.6 48.5 -62.9 -44.1 14.4 6.6 -11.1 159 177 A Q H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.810 106.1 57.8 -67.5 -28.1 16.6 8.7 -9.0 160 178 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.937 110.4 44.0 -66.8 -40.9 17.8 5.5 -7.1 161 179 A I H X S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.950 115.3 48.3 -66.3 -48.4 18.9 4.0 -10.5 162 180 A A H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.7 0.913 113.7 46.6 -57.4 -44.4 20.5 7.3 -11.5 163 181 A G H ><5S+ 0 0 13 -4,-2.8 3,-1.1 2,-0.2 -2,-0.2 0.943 110.4 52.4 -68.3 -45.1 22.3 7.7 -8.2 164 182 A L H 3<5S+ 0 0 9 -4,-2.7 56,-0.5 1,-0.3 57,-0.2 0.936 116.9 40.1 -53.1 -45.0 23.6 4.0 -8.2 165 183 A L H 3<5S- 0 0 7 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.481 107.2-123.5 -83.8 -6.9 25.0 4.5 -11.7 166 184 A G T <<5 - 0 0 49 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.893 41.3-178.0 62.8 41.7 26.4 8.1 -11.2 167 185 A V < - 0 0 2 -5,-2.4 -1,-0.2 -6,-0.2 5,-0.1 -0.562 33.3-107.0 -75.8 128.1 24.4 9.4 -14.1 168 186 A P >> - 0 0 45 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.237 25.1-118.3 -53.2 145.8 25.1 13.2 -14.6 169 187 A Q G >4 S+ 0 0 106 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.869 114.3 56.2 -53.8 -40.8 22.2 15.4 -13.5 170 188 A E G 34 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.664 106.5 50.0 -69.0 -16.4 21.9 16.8 -17.0 171 189 A D G <> S+ 0 0 34 -3,-1.8 4,-2.2 1,-0.1 -1,-0.3 0.450 87.4 87.1 -99.1 -6.0 21.4 13.2 -18.5 172 190 A R H S+ 0 0 57 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.928 113.1 40.4 -53.6 -48.1 15.7 13.5 -17.9 174 192 A K H > S+ 0 0 100 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.921 114.4 53.5 -71.6 -36.9 16.6 11.4 -21.1 175 193 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 111.3 46.6 -58.0 -46.0 17.6 8.3 -19.0 176 194 A F H X S+ 0 0 23 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.848 108.6 54.8 -70.3 -35.7 14.2 8.5 -17.2 177 195 A H H X S+ 0 0 103 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.938 112.3 42.9 -61.0 -49.7 12.3 8.9 -20.5 178 196 A W H >< S+ 0 0 25 -4,-2.5 3,-0.9 1,-0.2 4,-0.5 0.928 113.9 51.5 -60.9 -43.5 13.8 5.8 -22.0 179 197 A S H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.3 4,-0.4 0.898 106.0 54.5 -66.5 -35.9 13.4 3.8 -18.7 180 198 A N H 3< S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.675 107.4 52.9 -75.0 -12.5 9.7 4.7 -18.5 181 199 A E T << S+ 0 0 36 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.575 93.8 75.5 -91.8 -0.8 9.2 3.3 -22.0 182 200 A M S < S+ 0 0 19 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.1 0.633 98.5 22.9 -97.2 -12.8 10.8 0.0 -21.3 183 201 A T S S+ 0 0 22 -4,-0.4 2,-2.1 -3,-0.2 3,-0.2 0.754 100.1 54.8-106.7 -80.9 8.3 -2.0 -19.4 184 202 A G + 0 0 12 1,-0.2 3,-0.4 -4,-0.2 207,-0.1 -0.294 59.6 129.7 -84.2 67.7 4.6 -1.5 -19.2 185 203 A N + 0 0 29 -2,-2.1 5,-0.2 1,-0.2 -1,-0.2 0.667 43.5 84.2-103.1 -20.6 3.4 -1.6 -22.8 186 204 A E S S+ 0 0 53 -3,-0.2 -1,-0.2 205,-0.1 206,-0.1 0.367 75.6 92.5 -54.7 2.2 0.4 -4.2 -23.1 187 205 A D S > S- 0 0 5 -3,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.779 83.2-126.0-105.0 144.5 -2.1 -1.4 -22.0 188 206 A P G > S+ 0 0 100 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.831 107.7 66.3 -62.6 -25.5 -3.9 0.8 -24.6 189 207 A E G 3 S+ 0 0 71 1,-0.2 3,-0.1 2,-0.1 -3,-0.1 0.758 114.5 30.5 -64.4 -20.6 -2.7 4.0 -22.9 190 208 A Y G X S+ 0 0 63 -3,-1.8 3,-2.2 -5,-0.2 -1,-0.2 0.245 83.5 114.4-121.8 15.8 0.9 3.0 -23.9 191 209 A A T < S+ 0 0 75 -3,-1.1 -2,-0.1 -4,-0.4 -1,-0.1 0.778 75.5 56.9 -61.6 -29.2 0.2 1.1 -27.2 192 210 A H T 3 S+ 0 0 146 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.536 86.3 99.7 -82.4 -6.9 2.0 3.7 -29.2 193 211 A I < - 0 0 35 -3,-2.2 -3,-0.1 -8,-0.2 -12,-0.0 -0.602 61.3-151.8 -84.2 139.6 5.3 3.3 -27.2 194 212 A D >> - 0 0 88 -2,-0.3 4,-1.4 1,-0.2 3,-0.7 -0.863 10.0-174.1-110.8 97.1 8.1 1.2 -28.8 195 213 A P H 3> S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 80.4 62.8 -62.1 -29.2 10.1 -0.3 -25.9 196 214 A K H 3> S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 101.9 50.6 -64.1 -37.7 12.7 -1.8 -28.3 197 215 A A H <> S+ 0 0 47 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.908 112.5 45.8 -65.8 -42.1 13.7 1.7 -29.5 198 216 A S H X S+ 0 0 7 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.885 109.6 54.3 -68.3 -38.3 14.2 3.0 -26.0 199 217 A S H X S+ 0 0 28 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 108.0 51.0 -60.8 -42.8 16.1 -0.0 -24.9 200 218 A A H X S+ 0 0 62 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.902 109.9 49.0 -62.7 -41.6 18.5 0.5 -27.8 201 219 A E H X S+ 0 0 111 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.905 110.5 50.9 -67.4 -36.3 19.0 4.1 -26.9 202 220 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.906 108.4 52.2 -64.2 -41.1 19.7 3.2 -23.3 203 221 A I H X S+ 0 0 30 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.914 109.6 49.0 -61.5 -44.9 22.2 0.6 -24.3 204 222 A G H X S+ 0 0 34 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.924 113.0 48.0 -58.8 -45.5 24.1 3.1 -26.5 205 223 A Y H X S+ 0 0 33 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.921 113.6 46.4 -60.8 -44.5 24.1 5.6 -23.6 206 224 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.914 108.4 55.2 -68.9 -43.8 25.3 3.0 -21.1 207 225 A M H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.916 109.4 47.9 -58.8 -40.8 28.1 1.6 -23.4 208 226 A K H X S+ 0 0 140 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.836 106.6 57.1 -61.1 -37.6 29.5 5.1 -23.7 209 227 A M H X S+ 0 0 16 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.921 109.3 45.8 -63.3 -39.6 29.3 5.6 -20.0 210 228 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.940 111.0 53.5 -65.6 -48.8 31.5 2.5 -19.6 211 229 A E H < S+ 0 0 129 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.914 114.9 39.8 -46.5 -49.8 33.9 3.7 -22.3 212 230 A E H >< S+ 0 0 131 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.793 106.1 61.1 -82.4 -30.0 34.4 7.0 -20.7 213 231 A K H 3< S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.710 94.3 65.4 -73.1 -18.6 34.6 5.8 -17.0 214 232 A A T 3< 0 0 79 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.831 360.0 360.0 -62.5 -31.8 37.6 3.8 -18.1 215 233 A K < 0 0 121 -3,-0.9 -2,-0.3 -4,-0.5 -1,-0.3 0.429 360.0 360.0 -86.2 360.0 39.0 7.3 -18.6 216 ! 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 0.0 217 236 A A 0 0 96 0, 0.0 2,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.0 37.0 6.7 -9.8 218 237 A D + 0 0 89 4,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.598 360.0 102.5 -78.7 80.2 35.5 5.4 -6.5 219 238 A D S > S- 0 0 72 -2,-1.5 4,-1.7 1,-0.1 -54,-0.1 -0.961 84.1 -97.2-156.3 166.8 32.0 4.5 -7.9 220 239 A I H > S+ 0 0 19 -56,-0.5 4,-2.0 -2,-0.3 5,-0.2 0.854 116.5 56.2 -64.2 -32.7 29.9 1.4 -8.9 221 240 A V H > S+ 0 0 5 -57,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.964 107.2 48.5 -68.4 -46.3 30.6 1.8 -12.7 222 241 A T H > S+ 0 0 8 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.898 110.2 52.4 -50.6 -45.9 34.4 1.7 -12.2 223 242 A Q H < S+ 0 0 42 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.890 109.9 49.0 -65.2 -37.0 34.2 -1.3 -10.0 224 243 A L H < S+ 0 0 0 -4,-2.0 9,-3.3 1,-0.2 -1,-0.2 0.790 113.3 44.1 -71.7 -33.7 32.1 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