==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-09 3IVY . COMPND 2 MOLECULE: CYTOCHROME P450 CYP125; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.J.MCLEAN,C.LEVY,A.W.MUNRO,D.LEYS . 399 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 68.4 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 8.0 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 3 0 0 0 3 2 2 0 0 1 0 1 0 3 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 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 20 A P 0 0 68 0, 0.0 2,-1.6 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 153.0 22.7 8.8 13.5 2 21 A N + 0 0 141 24,-0.1 24,-0.1 21,-0.0 25,-0.1 -0.631 360.0 130.3 -81.9 86.9 19.2 7.5 13.1 3 22 A L - 0 0 24 -2,-1.6 3,-0.1 23,-0.1 4,-0.0 -0.986 63.1 -92.7-133.2 151.4 18.1 9.7 10.2 4 23 A P > - 0 0 72 0, 0.0 3,-2.0 0, 0.0 2,-0.1 -0.269 52.3 -90.9 -58.9 148.6 16.5 8.8 6.9 5 24 A P T 3 S+ 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.324 113.7 13.3 -55.8 129.6 18.7 8.2 3.9 6 25 A G T 3 S+ 0 0 74 1,-0.2 33,-0.1 -3,-0.1 30,-0.0 0.448 85.6 160.1 84.6 -2.7 19.2 11.5 2.1 7 26 A F < - 0 0 25 -3,-2.0 2,-0.5 1,-0.1 -1,-0.2 -0.209 20.6-164.5 -56.4 140.7 17.8 13.7 4.9 8 27 A D > - 0 0 15 1,-0.1 3,-2.2 28,-0.1 6,-0.2 -0.970 18.4-151.5-135.4 121.3 19.0 17.4 4.5 9 28 A F T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.583 99.2 53.2 -71.7 -5.9 18.6 19.8 7.5 10 29 A T T 3 S+ 0 0 0 69,-0.1 -1,-0.3 4,-0.0 279,-0.0 0.329 76.5 131.1-105.1 5.3 18.3 22.7 5.0 11 30 A D X> - 0 0 54 -3,-2.2 3,-1.6 1,-0.2 4,-1.2 -0.455 49.0-153.4 -66.0 118.6 15.4 21.1 3.0 12 31 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 374,-0.3 0.784 90.9 70.1 -64.3 -22.7 12.6 23.7 2.6 13 32 A A H 34 S+ 0 0 44 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.835 99.5 48.4 -63.4 -28.0 10.1 20.8 2.3 14 33 A I H X> S+ 0 0 13 -3,-1.6 4,-2.7 -6,-0.2 3,-2.0 0.969 111.0 48.0 -74.0 -49.7 10.6 20.1 6.0 15 34 A Y H 3< S+ 0 0 0 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.739 99.0 67.0 -68.2 -24.7 10.2 23.7 7.2 16 35 A A T 3< S+ 0 0 37 -4,-2.1 367,-0.5 1,-0.2 -1,-0.3 0.740 119.9 23.9 -58.9 -29.4 7.0 24.3 5.2 17 36 A E T <4 S- 0 0 152 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.736 129.8 -24.6-107.0 -33.5 5.5 21.7 7.6 18 37 A R < - 0 0 94 -4,-2.7 -1,-0.4 -5,-0.1 0, 0.0 -0.974 60.2 -92.4-168.4 166.2 7.5 21.6 10.9 19 38 A L - 0 0 31 -2,-0.3 2,-2.3 -3,-0.1 3,-0.3 -0.848 41.4-125.3 -89.6 139.5 10.8 22.3 12.6 20 39 A P > + 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.321 53.1 151.9 -89.2 65.5 12.9 19.1 12.6 21 40 A V H > + 0 0 53 -2,-2.3 4,-2.4 1,-0.2 5,-0.2 0.895 67.1 49.5 -63.7 -45.5 13.4 19.1 16.4 22 41 A A H > S+ 0 0 71 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.912 110.9 51.5 -64.6 -39.0 13.7 15.3 16.9 23 42 A E H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.930 109.7 47.4 -69.9 -32.5 16.3 15.1 14.1 24 43 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.905 110.3 54.5 -68.5 -43.5 18.5 17.9 15.6 25 44 A A H X S+ 0 0 29 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.902 106.2 52.5 -57.8 -34.2 18.2 16.2 19.0 26 45 A E H X S+ 0 0 57 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.918 109.1 48.0 -69.0 -41.7 19.5 13.0 17.4 27 46 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.935 108.9 54.0 -63.3 -46.4 22.6 14.7 15.9 28 47 A R H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 119.0 36.2 -58.5 -34.1 23.3 16.4 19.3 29 48 A S H < S+ 0 0 100 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.854 133.5 20.1 -78.2 -48.3 23.3 13.0 20.9 30 49 A A H < S+ 0 0 53 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.686 139.5 5.1-104.7 -24.7 24.8 10.7 18.2 31 50 A A < - 0 0 17 -4,-2.5 -1,-0.1 -5,-0.4 -2,-0.1 -0.407 59.2-179.6-164.4 70.9 26.9 13.0 15.7 32 51 A P S S+ 0 0 50 0, 0.0 23,-1.6 0, 0.0 2,-0.4 0.717 85.4 37.4 -64.4 -23.9 27.0 16.7 16.9 33 52 A I E S+A 54 0A 17 21,-0.2 2,-0.4 22,-0.1 21,-0.2 -0.988 86.6 168.4-117.8 118.4 29.1 17.6 13.9 34 53 A W E -A 53 0A 60 19,-1.6 19,-3.1 -2,-0.4 2,-0.6 -0.986 38.5-118.7-138.4 134.7 27.8 15.6 10.9 35 54 A W E -A 52 0A 87 -2,-0.4 2,-1.0 17,-0.2 17,-0.2 -0.609 24.2-158.4 -77.4 117.1 28.4 15.7 7.1 36 55 A N E -A 51 0A 0 15,-3.2 15,-1.5 -2,-0.6 -1,-0.1 -0.825 13.4-152.7 -96.6 95.1 25.1 16.4 5.4 37 56 A G E -A 50 0A 37 -2,-1.0 2,-0.4 13,-0.2 13,-0.3 -0.368 7.6-161.3 -67.4 146.7 25.6 15.2 1.9 38 57 A Q - 0 0 16 11,-2.2 5,-0.1 -30,-0.1 3,-0.1 -0.995 13.6-130.9-130.8 132.9 23.6 16.8 -0.9 39 58 A D > - 0 0 108 -2,-0.4 3,-2.2 3,-0.2 10,-0.1 -0.261 45.3 -73.4 -78.3 159.8 23.0 15.3 -4.3 40 59 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 -0.296 121.6 14.4 -53.3 137.9 23.5 17.2 -7.6 41 60 A G T 3 S+ 0 0 45 5,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.455 113.9 80.4 76.5 -0.1 20.8 19.7 -8.2 42 61 A K < + 0 0 124 -3,-2.2 -3,-0.2 4,-0.1 5,-0.1 0.096 59.5 95.5-123.3 26.5 19.5 19.4 -4.5 43 62 A G S > S- 0 0 3 3,-0.2 3,-1.5 40,-0.2 38,-0.1 0.189 94.2-112.4-103.7 18.1 22.0 21.7 -2.8 44 63 A G T 3 S- 0 0 0 1,-0.3 37,-2.2 36,-0.1 39,-0.1 0.822 86.6 -35.5 59.5 35.8 20.0 24.9 -2.7 45 64 A G T 3 S+ 0 0 2 1,-0.4 2,-0.3 38,-0.4 -1,-0.3 0.241 120.4 102.9 100.8 -6.6 22.3 26.8 -5.1 46 65 A F < - 0 0 7 -3,-1.5 -1,-0.4 33,-0.2 -3,-0.2 -0.803 46.8-171.9-112.9 148.3 25.5 25.2 -3.8 47 66 A H + 0 0 139 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 -0.083 55.3 103.7-128.5 33.0 27.3 22.4 -5.8 48 67 A D S S- 0 0 69 -5,-0.1 -1,-0.1 2,-0.1 262,-0.1 0.332 94.6-103.4-106.5 0.2 29.9 21.3 -3.5 49 68 A G S S- 0 0 36 -3,-0.2 -11,-2.2 -10,-0.1 2,-0.3 0.427 74.5 -49.9 98.5 -8.8 28.3 18.1 -2.4 50 69 A G E -A 37 0A 0 -13,-0.3 260,-0.5 -7,-0.1 2,-0.3 -0.920 54.1-105.2 144.0-163.6 27.1 19.2 1.1 51 70 A F E -A 36 0A 0 -15,-1.5 -15,-3.2 -2,-0.3 2,-0.6 -0.969 32.4 -93.1-157.2 160.9 28.1 20.8 4.4 52 71 A W E -Ab 35 311A 42 258,-2.7 260,-3.0 -2,-0.3 2,-0.6 -0.802 36.7-138.7 -85.7 122.7 28.9 20.1 8.0 53 72 A A E -Ab 34 312A 0 -19,-3.1 -19,-1.6 -2,-0.6 2,-0.5 -0.782 14.7-158.6 -81.1 126.5 25.8 20.4 10.2 54 73 A I E +Ab 33 313A 0 258,-2.9 260,-2.6 -2,-0.6 264,-0.2 -0.937 22.2 163.0-109.0 120.3 26.8 22.2 13.5 55 74 A T + 0 0 0 -23,-1.6 2,-0.3 -2,-0.5 -1,-0.1 0.529 42.5 85.2-118.8 -12.7 24.3 21.4 16.2 56 75 A K S > S- 0 0 27 -24,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.745 70.8-131.5-103.6 145.8 25.9 22.3 19.6 57 76 A L H > S+ 0 0 2 -2,-0.3 4,-2.4 261,-0.3 5,-0.2 0.917 105.1 51.6 -60.1 -43.5 26.0 25.7 21.2 58 77 A N H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 110.6 49.1 -65.7 -33.2 29.8 25.8 21.9 59 78 A D H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 109.1 51.6 -70.4 -40.5 30.6 24.9 18.4 60 79 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.925 112.6 46.7 -58.7 -42.5 28.4 27.5 17.0 61 80 A K H X S+ 0 0 42 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.912 110.6 52.3 -64.3 -39.3 30.1 30.1 19.2 62 81 A E H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 111.9 45.6 -63.9 -48.3 33.6 28.8 18.3 63 82 A I H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.932 112.4 50.7 -60.0 -44.2 32.9 29.1 14.6 64 83 A S H < S+ 0 0 5 -4,-2.4 284,-0.5 -5,-0.2 3,-0.3 0.861 112.2 47.5 -61.7 -37.5 31.4 32.6 15.0 65 84 A R H < S+ 0 0 129 -4,-2.1 2,-1.2 1,-0.2 3,-0.3 0.827 103.5 63.4 -72.3 -34.5 34.4 33.8 17.1 66 85 A H >X + 0 0 55 -4,-1.9 4,-2.8 1,-0.2 3,-1.6 -0.406 57.0 146.8 -89.1 59.3 37.0 32.5 14.6 67 86 A S T 34 + 0 0 40 -2,-1.2 -1,-0.2 -3,-0.3 5,-0.1 0.688 64.4 69.9 -73.7 -11.7 35.9 34.6 11.6 68 87 A D T 34 S+ 0 0 114 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.761 115.1 26.6 -67.2 -24.3 39.6 34.7 10.5 69 88 A V T <4 S+ 0 0 1 -3,-1.6 226,-3.0 1,-0.2 2,-0.9 0.772 119.0 59.1-101.4 -42.4 39.1 31.0 9.6 70 89 A F E < S-C 294 0A 0 -4,-2.8 224,-0.2 -7,-0.3 -1,-0.2 -0.820 78.3-155.3-105.3 104.9 35.3 30.9 9.0 71 90 A S E -C 293 0A 2 222,-2.7 222,-2.2 -2,-0.9 4,-0.3 -0.479 24.6-171.2 -84.4 141.6 34.4 33.3 6.1 72 91 A S S > S+ 0 0 1 220,-0.2 4,-0.9 -2,-0.2 3,-0.2 0.711 88.0 55.9 -93.6 -29.1 31.0 34.9 5.4 73 92 A Y T 4 S+ 0 0 106 1,-0.2 -1,-0.1 2,-0.2 21,-0.1 0.873 89.5 69.7 -70.8 -41.1 32.2 36.3 2.1 74 93 A E T 4 S- 0 0 71 1,-0.3 -1,-0.2 219,-0.2 -2,-0.1 0.856 128.6 -4.0 -55.6 -41.7 33.3 33.1 0.3 75 94 A N T 4 S- 0 0 17 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.211 104.2-113.4-128.3 12.9 29.8 31.6 -0.2 76 95 A G < - 0 0 5 -4,-0.9 -1,-0.3 23,-0.2 -3,-0.1 0.003 29.9 -92.9 70.5 178.7 27.6 34.1 1.7 77 96 A V S S+ 0 0 0 213,-0.1 214,-2.6 -3,-0.1 -1,-0.1 0.645 95.0 95.7-109.2 -15.0 25.8 33.2 4.9 78 97 A I - 0 0 22 212,-0.2 212,-0.1 1,-0.1 3,-0.1 -0.627 57.9-162.8 -76.6 125.3 22.4 32.1 3.6 79 98 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 0.448 65.2 41.9 -94.3 4.3 22.6 28.3 3.3 80 99 A R + 0 0 14 -35,-0.1 2,-0.2 -69,-0.0 307,-0.2 -0.906 53.8 157.9-156.4 122.2 19.7 27.6 0.9 81 100 A F - 0 0 27 -37,-2.2 -35,-0.1 -2,-0.3 104,-0.1 -0.741 61.7 -58.3-118.8 178.3 18.3 29.3 -2.1 82 101 A K > - 0 0 100 -2,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.298 58.5-116.1 -53.6 144.7 16.0 27.9 -4.9 83 102 A N T 3 S+ 0 0 60 1,-0.3 -38,-0.4 -39,-0.1 -40,-0.2 0.792 111.3 49.6 -65.1 -24.5 17.9 24.9 -6.4 84 103 A D T 3 S+ 0 0 144 -40,-0.1 -1,-0.3 -42,-0.1 -2,-0.1 0.313 77.7 136.5 -98.6 18.6 18.3 26.5 -9.8 85 104 A I < - 0 0 32 -3,-2.2 2,-0.2 1,-0.1 -4,-0.1 -0.256 58.0-115.3 -64.5 142.2 19.7 29.9 -8.7 86 105 A A >> - 0 0 34 1,-0.1 3,-1.1 4,-0.0 4,-0.9 -0.526 17.2-124.1 -70.7 142.0 22.6 31.2 -10.7 87 106 A R H >> S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 3,-0.9 0.853 110.4 62.9 -58.5 -35.4 25.9 31.5 -8.9 88 107 A E H 3> S+ 0 0 130 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.875 98.9 55.7 -59.9 -27.2 26.1 35.2 -9.9 89 108 A D H <4 S+ 0 0 51 -3,-1.1 4,-0.3 1,-0.2 -1,-0.3 0.696 108.3 46.9 -80.8 -24.0 22.9 35.8 -7.9 90 109 A I H X< S+ 0 0 3 -3,-0.9 3,-1.0 -4,-0.9 4,-0.2 0.887 111.9 51.1 -72.9 -45.0 24.5 34.4 -4.7 91 110 A E H >< S+ 0 0 73 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.831 97.3 65.9 -63.2 -31.0 27.7 36.4 -5.3 92 111 A V G >< S+ 0 0 89 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.842 86.3 72.9 -61.9 -24.8 25.8 39.7 -5.7 93 112 A Q G X S+ 0 0 62 -3,-1.0 3,-1.8 -4,-0.3 6,-0.4 0.723 74.6 86.7 -63.7 -9.5 24.8 39.3 -2.0 94 113 A R G < S+ 0 0 45 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.591 70.6 75.0 -67.3 -1.7 28.4 40.2 -1.2 95 114 A F G < S+ 0 0 119 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.3 0.488 80.3 79.7 -95.6 3.4 27.6 43.8 -1.2 96 115 A V S X S- 0 0 20 -3,-1.8 3,-2.1 1,-0.1 139,-0.1 -0.823 88.4-119.8-100.2 148.7 25.8 43.8 2.1 97 116 A M G > S+ 0 0 16 -2,-0.4 3,-1.9 1,-0.3 12,-0.1 0.800 107.3 67.7 -60.3 -29.0 27.9 43.9 5.2 98 117 A L G 3 S+ 0 0 40 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.750 103.5 46.2 -57.4 -34.1 26.6 40.6 6.5 99 118 A N G < S+ 0 0 4 -3,-2.1 2,-0.3 -6,-0.4 -1,-0.3 0.008 97.1 94.5-102.4 28.7 28.4 38.8 3.6 100 119 A M < - 0 0 24 -3,-1.9 2,-0.2 -5,-0.1 -28,-0.1 -0.857 57.8-147.8-115.9 159.6 31.7 40.5 3.9 101 120 A D >> - 0 0 32 -2,-0.3 4,-2.5 -29,-0.1 3,-0.6 -0.674 42.5 -45.3-112.7 162.4 34.9 39.7 5.7 102 121 A A T 34 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.2 246,-0.0 -0.388 115.5 28.8 -59.8 148.0 37.6 41.9 7.4 103 122 A P T 3> S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 -0.996 129.1 40.6 -84.7 -13.5 38.9 44.4 6.5 104 123 A H H <> S+ 0 0 137 -3,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.910 119.3 47.3 -64.3 -44.0 36.0 45.5 4.3 105 124 A H H X S+ 0 0 8 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.888 107.5 58.1 -61.0 -37.9 33.4 44.4 6.9 106 125 A T H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.950 106.7 46.8 -63.0 -40.2 35.4 46.1 9.7 107 126 A R H X S+ 0 0 80 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.918 114.8 45.4 -65.1 -49.3 35.2 49.5 8.0 108 127 A L H X S+ 0 0 12 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.901 111.2 52.7 -61.8 -45.5 31.4 49.3 7.3 109 128 A R H X S+ 0 0 57 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.893 108.1 51.3 -58.3 -43.5 30.6 48.0 10.7 110 129 A K H < S+ 0 0 107 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.918 115.2 41.8 -58.1 -46.3 32.4 50.9 12.3 111 130 A I H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.963 115.8 49.0 -65.6 -45.0 30.5 53.5 10.2 112 131 A I H >< S+ 0 0 3 -4,-3.2 3,-2.4 1,-0.3 4,-0.3 0.691 91.7 77.0 -73.0 -19.7 27.1 51.7 10.5 113 132 A S G >< S+ 0 0 48 -4,-1.4 3,-1.8 -5,-0.3 -1,-0.3 0.822 79.2 74.7 -66.1 -16.7 27.5 51.5 14.3 114 133 A R G < S+ 0 0 37 -3,-2.0 3,-0.4 -4,-0.3 -1,-0.3 0.764 94.2 53.3 -55.2 -19.5 26.5 55.3 14.2 115 134 A G G < S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.603 109.4 45.8 -95.8 -9.2 23.0 54.0 13.6 116 135 A F S < S+ 0 0 27 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.168 70.6 139.2-132.8 19.6 22.8 51.7 16.5 117 136 A T > - 0 0 44 -3,-0.4 4,-2.6 -4,-0.2 5,-0.3 -0.257 66.9-113.0 -56.2 158.1 24.1 53.6 19.2 118 137 A P H > S+ 0 0 114 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.840 120.0 52.9 -57.4 -37.6 22.1 53.1 22.5 119 138 A R H > S+ 0 0 156 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.884 106.1 49.9 -65.5 -45.2 21.1 56.7 22.1 120 139 A A H 4 S+ 0 0 8 2,-0.2 4,-0.5 1,-0.2 3,-0.2 0.940 116.7 42.9 -59.7 -46.3 19.8 56.3 18.6 121 140 A V H >< S+ 0 0 16 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.940 111.7 52.7 -68.0 -41.2 17.8 53.3 19.6 122 141 A G H >< S+ 0 0 45 -4,-2.4 3,-1.5 1,-0.3 4,-0.4 0.818 98.6 65.4 -67.5 -28.2 16.5 54.7 22.8 123 142 A R T 3< S+ 0 0 60 -4,-1.6 4,-0.4 1,-0.3 -1,-0.3 0.699 96.7 57.0 -60.5 -22.6 15.3 57.8 21.0 124 143 A L T <> S+ 0 0 10 -3,-1.7 4,-2.4 -4,-0.5 -1,-0.3 0.529 82.3 92.3 -86.4 -7.0 12.8 55.6 19.1 125 144 A H H <> S+ 0 0 56 -3,-1.5 4,-2.8 -4,-0.4 5,-0.2 0.915 83.1 47.4 -58.2 -52.1 11.2 54.3 22.3 126 145 A D H > S+ 0 0 115 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.915 115.9 43.3 -63.9 -41.3 8.4 56.8 22.8 127 146 A E H > S+ 0 0 74 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.886 115.7 49.2 -68.3 -40.2 7.1 56.7 19.1 128 147 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.873 110.3 50.9 -70.6 -32.5 7.4 52.9 19.0 129 148 A Q H X S+ 0 0 81 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.941 110.4 48.8 -66.4 -41.2 5.5 52.5 22.2 130 149 A E H X S+ 0 0 150 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.916 114.6 46.3 -61.3 -38.2 2.7 54.8 20.9 131 150 A R H X S+ 0 0 76 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.905 111.2 52.1 -69.5 -43.5 2.6 52.8 17.7 132 151 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.905 109.5 48.8 -56.7 -51.4 2.6 49.5 19.6 133 152 A Q H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.886 112.8 48.0 -56.6 -43.6 -0.3 50.5 21.8 134 153 A K H X S+ 0 0 132 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.888 109.0 52.5 -66.7 -42.6 -2.4 51.6 18.9 135 154 A I H X S+ 0 0 5 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.937 112.7 45.9 -55.1 -47.2 -1.7 48.4 16.9 136 155 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 111.6 50.7 -67.4 -39.8 -2.9 46.3 19.8 137 156 A A H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.903 111.0 50.4 -61.4 -40.2 -6.0 48.5 20.4 138 157 A E H X S+ 0 0 96 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.855 110.6 48.0 -66.7 -38.8 -6.8 48.2 16.7 139 158 A A H X S+ 0 0 3 -4,-1.9 4,-0.9 2,-0.2 3,-0.5 0.933 110.3 51.4 -66.1 -46.3 -6.5 44.4 16.8 140 159 A A H >< S+ 0 0 32 -4,-2.3 3,-0.9 1,-0.3 -2,-0.2 0.883 109.6 52.0 -56.3 -43.2 -8.7 44.1 20.0 141 160 A A H 3< S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.812 104.1 55.9 -71.1 -22.7 -11.3 46.3 18.2 142 161 A A H 3< S- 0 0 54 -4,-1.2 2,-1.8 -3,-0.5 -1,-0.3 0.676 94.4-150.1 -78.7 -19.1 -11.3 43.9 15.2 143 162 A G << + 0 0 19 -3,-0.9 256,-2.0 -4,-0.9 257,-1.0 -0.137 65.4 9.8 81.9 -52.6 -12.1 41.0 17.5 144 163 A S E S+E 398 0B 57 -2,-1.8 2,-0.3 254,-0.3 254,-0.2 -0.975 73.9 113.1-150.5 167.6 -10.3 38.3 15.4 145 164 A G E -E 397 0B 9 252,-2.1 252,-2.8 -2,-0.3 2,-0.9 -0.980 68.7 -33.1 158.4-166.7 -8.0 38.0 12.4 146 165 A D E > -E 396 0B 18 -2,-0.3 4,-3.0 250,-0.2 5,-0.2 -0.751 45.2-159.1 -87.8 109.8 -4.5 37.1 11.3 147 166 A F H >>S+ 0 0 0 248,-2.9 4,-2.4 -2,-0.9 5,-2.1 0.796 88.6 59.9 -60.3 -31.5 -2.2 37.9 14.1 148 167 A V H 4>S+ 0 0 6 247,-0.4 5,-1.7 3,-0.2 4,-0.2 0.971 114.2 34.8 -61.9 -45.9 0.8 38.0 11.8 149 168 A E H 45S+ 0 0 138 3,-0.2 5,-0.4 1,-0.2 -2,-0.2 0.895 126.4 39.4 -71.7 -48.4 -0.7 40.8 9.7 150 169 A Q H <5S+ 0 0 63 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.734 133.6 10.7 -80.5 -18.1 -2.5 42.7 12.6 151 170 A V T <5S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -3,-0.2 0.696 128.3 39.2-129.1 -45.5 0.1 42.4 15.4 152 171 A S T S+ 0 0 75 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.897 100.3 59.5 -76.0 -38.9 3.9 46.6 11.3 155 174 A L H > S+ 0 0 0 -4,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.890 103.5 50.4 -68.6 -36.6 6.0 47.4 14.3 156 175 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.886 113.6 48.5 -61.2 -37.1 9.4 45.9 13.1 157 176 A L H X S+ 0 0 6 -4,-1.0 4,-2.6 1,-0.2 -2,-0.2 0.873 109.6 50.5 -66.8 -42.3 8.8 47.9 9.8 158 177 A Q H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.796 105.8 58.5 -68.1 -26.0 8.1 51.1 11.7 159 178 A A H X S+ 0 0 3 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.930 109.7 42.6 -64.3 -41.0 11.3 50.5 13.8 160 179 A I H X S+ 0 0 12 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.920 114.3 50.1 -70.9 -44.8 13.3 50.6 10.6 161 180 A A H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.6 0.879 113.5 45.8 -60.4 -39.7 11.5 53.5 9.2 162 181 A G H <5S+ 0 0 13 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.862 110.6 52.9 -71.6 -40.0 11.9 55.6 12.4 163 182 A L H <5S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.951 117.1 39.1 -54.3 -46.5 15.6 54.6 12.7 164 183 A L H <5S- 0 0 6 -4,-2.4 51,-0.3 -5,-0.2 -2,-0.2 0.554 107.7-127.6 -83.6 -3.7 16.1 55.9 9.1 165 184 A G T <5 - 0 0 49 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.900 39.5-177.5 55.4 41.4 13.7 58.9 9.6 166 185 A V < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.2 5,-0.1 -0.540 30.5-109.1 -68.5 128.7 11.7 58.0 6.5 167 186 A P >> - 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.318 26.1-117.9 -56.2 146.5 8.9 60.5 5.7 168 187 A Q H >> S+ 0 0 129 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.868 111.6 58.1 -51.7 -43.1 5.4 59.1 6.4 169 188 A E H 34 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.675 106.3 49.4 -70.4 -9.4 4.3 59.3 2.9 170 189 A D H <> S+ 0 0 37 -3,-1.9 4,-2.3 1,-0.1 -1,-0.3 0.566 88.0 85.7-104.2 -4.4 7.2 57.1 1.7 171 190 A R H S+ 0 0 102 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.927 115.3 52.4 -71.3 -39.9 6.4 51.9 -0.7 174 193 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.919 111.2 46.3 -55.7 -49.8 9.3 51.2 1.6 175 194 A F H X S+ 0 0 29 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.910 110.1 54.0 -65.6 -37.0 7.3 48.5 3.5 176 195 A H H < S+ 0 0 109 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.936 112.5 42.5 -59.9 -50.3 6.1 46.9 0.3 177 196 A W H >< S+ 0 0 27 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.913 112.9 54.2 -60.6 -44.0 9.7 46.6 -1.1 178 197 A S H >< S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.3 4,-0.4 0.850 105.2 53.0 -64.3 -30.5 11.0 45.4 2.3 179 198 A N T 3< S+ 0 0 58 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.470 110.9 47.5 -85.1 2.9 8.4 42.6 2.5 180 199 A E T < S+ 0 0 35 -3,-1.7 -1,-0.2 -4,-0.3 17,-0.2 0.216 92.1 86.9-112.8 10.3 9.5 41.3 -0.9 181 200 A M < + 0 0 14 -3,-1.0 2,-0.6 -4,-0.2 -2,-0.1 0.776 68.5 71.3 -96.4 -27.2 13.2 41.3 -0.2 182 201 A T S S- 0 0 14 -4,-0.4 -1,-0.0 58,-0.2 2,-0.0 -0.799 83.6-120.1 -96.2 135.9 14.1 38.1 1.4 183 202 A G + 0 0 43 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.331 39.6 156.7 -67.4 134.3 14.0 35.1 -0.9 184 203 A N - 0 0 34 5,-0.1 202,-0.2 2,-0.1 -102,-0.1 -0.951 41.6-136.2-144.5 176.3 11.8 32.1 -0.4 185 204 A E + 0 0 51 200,-1.5 201,-0.1 -2,-0.3 5,-0.1 -0.054 53.4 140.8-117.0 31.4 10.3 29.3 -2.5 186 205 A D > - 0 0 5 199,-0.2 3,-2.0 1,-0.1 -2,-0.1 -0.578 54.0-136.5 -74.8 135.8 6.8 29.5 -0.9 187 206 A P G > S+ 0 0 105 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.758 102.2 65.1 -67.2 -23.5 4.0 29.0 -3.5 188 207 A E G 3 S+ 0 0 75 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.706 112.7 34.0 -65.3 -23.8 2.0 31.9 -1.8 189 208 A Y G X S+ 0 0 57 -3,-2.0 3,-1.9 1,-0.1 -1,-0.2 0.072 78.6 121.9-117.3 21.9 4.8 34.3 -2.9 190 209 A A T < S+ 0 0 76 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.713 74.7 56.1 -67.7 -12.6 5.9 32.7 -6.3 191 210 A H T 3 S+ 0 0 148 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.603 83.9 102.4 -97.9 -8.8 5.1 35.9 -8.1 192 211 A I < - 0 0 34 -3,-1.9 3,-0.1 1,-0.0 -3,-0.1 -0.491 54.8-157.0 -68.0 150.2 7.4 38.2 -6.0 193 212 A D >> - 0 0 81 -2,-0.2 4,-2.2 1,-0.1 3,-0.9 -0.849 9.7-172.4-129.6 97.2 10.8 39.3 -7.5 194 213 A P H 3> S+ 0 0 41 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.756 83.2 65.7 -63.7 -18.1 13.2 40.3 -4.9 195 214 A K H 3> S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.889 105.0 40.0 -73.5 -39.3 15.5 41.5 -7.6 196 215 A A H <> S+ 0 0 35 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.928 116.5 51.9 -68.2 -37.1 13.2 44.3 -8.8 197 216 A S H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.908 110.5 49.1 -66.7 -37.8 12.4 45.1 -5.2 198 217 A S H X S+ 0 0 36 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.958 112.9 46.3 -64.8 -48.3 16.1 45.3 -4.3 199 218 A A H X S+ 0 0 61 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.921 114.7 47.3 -57.8 -45.6 16.8 47.6 -7.3 200 219 A E H X S+ 0 0 103 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.905 112.7 48.0 -66.0 -36.8 13.9 49.8 -6.5 201 220 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.934 110.7 51.6 -73.8 -42.0 14.7 50.1 -2.8 202 221 A I H X S+ 0 0 32 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.932 111.0 49.3 -60.6 -42.1 18.4 50.9 -3.5 203 222 A G H X S+ 0 0 41 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.944 110.7 48.7 -66.3 -38.8 17.3 53.6 -5.9 204 223 A Y H X S+ 0 0 31 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.935 114.0 47.2 -59.9 -46.0 14.9 55.1 -3.3 205 224 A A H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.861 108.7 52.6 -66.2 -37.1 17.7 55.0 -0.7 206 225 A M H X S+ 0 0 66 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.872 109.1 50.2 -65.1 -40.3 20.3 56.6 -2.9 207 226 A K H X S+ 0 0 39 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.886 109.6 52.8 -62.2 -39.3 17.9 59.5 -3.7 208 227 A M H X S+ 0 0 17 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.955 110.1 47.4 -62.5 -38.5 17.4 59.9 0.1 209 228 A A H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.914 109.8 53.2 -67.7 -40.5 21.2 60.1 0.6 210 229 A E H 3< S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.887 105.5 53.5 -67.8 -38.1 21.6 62.6 -2.2 211 230 A E H 3< 0 0 164 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.722 360.0 360.0 -68.8 -20.5 19.0 64.9 -0.6 212 231 A K << 0 0 124 -4,-1.1 0, 0.0 -3,-0.7 0, 0.0 -0.535 360.0 360.0 -81.9 360.0 20.8 64.9 2.8 213 ! 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 0.0 214 239 A I > 0 0 43 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -30.5 21.0 59.1 11.0 215 240 A V H > + 0 0 2 -51,-0.3 4,-2.6 2,-0.2 3,-0.4 0.938 360.0 48.8 -48.7 -48.5 21.1 59.1 7.2 216 241 A T H > S+ 0 0 60 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.947 108.9 51.0 -68.4 -33.5 23.0 62.4 7.6 217 242 A Q H 4 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.813 112.2 46.4 -67.3 -32.3 25.3 61.0 10.1 218 243 A L H < S+ 0 0 0 -4,-1.6 9,-2.6 -3,-0.4 -2,-0.2 0.860 118.2 41.1 -74.3 -28.2 26.2 58.0 7.8 219 244 A I H < S+ 0 0 17 -4,-2.6 2,-0.4 7,-0.2 -2,-0.2 0.611 95.5 92.0-105.0 -1.3 26.7 59.9 4.8 220 245 A Q S < S- 0 0 119 -4,-1.9 2,-0.1 -5,-0.3 7,-0.1 -0.664 85.2-112.5 -87.1 129.9 28.5 62.8 6.3 221 246 A A 0 0 56 -2,-0.4 5,-0.2 1,-0.2 -2,-0.1 -0.473 360.0 360.0 -56.2 126.2 32.3 62.5 6.4 222 247 A D 0 0 112 3,-2.3 -1,-0.2 -2,-0.1 4,-0.1 0.482 360.0 360.0 -85.1 360.0 33.7 62.1 10.0 223 ! 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 0.0 224 250 A G 0 0 86 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 8.3 36.7 61.9 5.8 225 251 A E + 0 0 71 -5,-0.0 -3,-2.3 -4,-0.0 2,-0.3 -0.596 360.0 128.8 -82.1 139.9 35.1 58.5 6.4 226 252 A K - 0 0 103 -2,-0.3 2,-0.3 -5,-0.2 -7,-0.2 -0.953 60.4 -84.0-172.0 163.4 31.4 57.9 5.4 227 253 A L - 0 0 2 -9,-2.6 2,-0.1 -2,-0.3 -119,-0.0 -0.653 44.5-124.4 -70.6 139.5 29.2 55.6 3.5 228 254 A S > - 0 0 44 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.367 32.8-100.6 -68.3 171.1 29.1 56.3 -0.2 229 255 A D H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.913 126.0 47.8 -65.7 -39.2 25.6 56.8 -1.6 230 256 A D H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.0 53.9 -65.9 -38.2 25.5 53.3 -3.0 231 257 A E H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.851 106.0 53.9 -61.2 -35.9 26.8 51.8 0.4 232 258 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.927 108.2 49.9 -65.7 -36.8 23.9 53.6 2.1 233 259 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.936 110.3 49.1 -60.5 -41.9 21.6 51.9 -0.4 234 260 A F H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.857 108.8 54.4 -69.6 -26.0 23.1 48.5 0.4 235 261 A F H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.901 106.8 49.8 -74.6 -44.2 22.8 49.2 4.1 236 262 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 110.9 49.7 -64.0 -36.6 19.1 49.9 3.8 237 263 A V H X S+ 0 0 16 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.946 107.8 56.1 -58.5 -43.8 18.7 46.6 1.8 238 264 A M H >X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.912 106.9 47.7 -49.9 -50.3 20.6 45.0 4.7 239 265 A L H 3X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.3 5,-0.3 0.894 106.8 58.0 -69.1 -36.9 18.1 46.3 7.3 240 266 A A H 3< S+ 0 0 1 -4,-2.2 5,-0.5 1,-0.2 4,-0.3 0.798 115.9 34.3 -60.3 -35.2 15.1 45.1 5.2 241 267 A V H << S+ 0 0 38 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.737 124.7 40.7 -91.3 -24.1 16.5 41.5 5.2 242 268 A A H < S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.795 123.5 29.1 -92.0 -29.3 18.0 41.4 8.7 243 269 A G S < S+ 0 0 24 -4,-2.8 -3,-0.1 -5,-0.2 -83,-0.1 0.295 108.9 60.4-121.5 10.3 15.5 43.3 10.9 244 270 A N S > S+ 0 0 0 -4,-0.3 4,-2.4 -5,-0.3 5,-0.2 0.847 110.0 24.6-105.3 -80.2 12.0 42.8 9.3 245 271 A E H > S+ 0 0 16 -5,-0.5 4,-2.5 1,-0.2 5,-0.2 0.790 118.8 62.0 -58.0 -30.9 10.8 39.2 9.1 246 272 A T H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.979 110.3 36.3 -61.7 -51.3 13.1 38.2 12.0 247 273 A T H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.915 115.2 56.6 -67.2 -39.0 11.5 40.4 14.6 248 274 A R H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.927 109.6 46.3 -54.7 -48.4 8.0 39.8 13.0 249 275 A N H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.820 107.1 57.2 -70.2 -29.0 8.6 36.0 13.5 250 276 A S H X S+ 0 0 3 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.880 108.7 47.9 -65.9 -33.6 9.8 36.4 17.1 251 277 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.960 114.3 44.5 -72.0 -46.2 6.5 38.2 17.9 252 278 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.936 117.8 42.9 -63.5 -47.4 4.3 35.5 16.3 253 279 A Q H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.811 110.7 56.3 -74.8 -24.5 6.2 32.6 17.8 254 280 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.910 110.7 45.3 -64.1 -43.7 6.5 34.3 21.2 255 281 A M H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 110.0 53.8 -68.7 -37.2 2.7 34.6 21.2 256 282 A M H X S+ 0 0 49 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.909 109.2 50.3 -59.1 -40.8 2.3 30.9 20.0 257 283 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.921 109.0 50.4 -66.5 -39.3 4.5 30.0 23.0 258 284 A F H < S+ 0 0 2 -4,-2.3 7,-0.4 1,-0.2 -1,-0.2 0.878 109.4 51.7 -64.8 -30.8 2.3 32.0 25.4 259 285 A A H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.7 43.5 -74.4 -33.1 -0.8 30.2 24.0 260 286 A E H < S+ 0 0 148 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.729 120.6 42.2 -82.3 -15.8 0.8 26.8 24.5 261 287 A H >X + 0 0 47 -4,-1.8 4,-1.4 -5,-0.2 3,-1.1 -0.706 66.0 172.7-128.7 72.1 2.1 27.8 28.1 262 288 A P H 3> S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.822 76.0 61.2 -59.3 -30.1 -0.8 29.7 29.7 263 289 A D H 3> S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.868 104.2 50.2 -65.2 -31.3 1.0 29.8 33.1 264 290 A Q H <> S+ 0 0 36 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.874 109.6 50.0 -70.0 -33.0 3.9 31.8 31.4 265 291 A W H X S+ 0 0 14 -4,-1.4 4,-2.8 -7,-0.4 -2,-0.2 0.935 109.8 51.3 -71.7 -37.4 1.4 34.3 29.9 266 292 A E H X S+ 0 0 91 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.938 113.7 44.7 -63.1 -39.7 -0.3 34.8 33.2 267 293 A L H X S+ 0 0 58 -4,-2.0 4,-2.5 1,-0.2 5,-0.4 0.909 111.7 52.0 -68.4 -42.9 3.1 35.5 34.8 268 294 A Y H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.934 106.5 53.9 -58.7 -46.8 4.2 37.8 32.0 269 295 A K H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 112.5 45.8 -58.1 -34.0 1.0 39.8 32.3 270 296 A K H < S+ 0 0 162 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.968 131.6 11.0 -73.4 -49.5 1.7 40.4 36.0 271 297 A V H < S- 0 0 90 -4,-2.5 -3,-0.2 2,-0.0 -2,-0.2 0.521 74.2-145.7-121.1 -5.3 5.3 41.3 36.0 272 298 A R < - 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