==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-APR-09 2WGY . COMPND 2 MOLECULE: CYTOCHROME P450 130; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.PODUST,H.OUELLET,J.P.VON KRIES,P.R.ORTIZ DE MONTELLANO . 394 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 68.8 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 . 28 7.1 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 0.3 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 . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 0 1 0 2 3 0 1 0 0 2 0 0 3 0 0 0 0 0 1 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 . 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 A M 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.0 56.9 -9.4 1.5 2 6 A S - 0 0 62 1,-0.1 17,-0.2 2,-0.0 0, 0.0 -0.933 360.0-177.3-151.0 135.7 59.0 -9.1 4.6 3 7 A H + 0 0 115 -2,-0.3 2,-0.3 15,-0.1 20,-0.1 0.357 58.1 106.4-106.0 1.1 57.9 -8.4 8.2 4 8 A E S S- 0 0 128 1,-0.1 15,-0.1 18,-0.1 2,-0.0 -0.650 80.7-103.4 -85.2 135.8 61.5 -8.3 9.5 5 9 A F + 0 0 22 -2,-0.3 2,-0.3 14,-0.1 -1,-0.1 -0.321 54.4 147.7 -62.6 134.4 62.9 -4.9 10.4 6 10 A Q - 0 0 89 -2,-0.0 2,-0.1 26,-0.0 3,-0.1 -0.940 53.7 -95.6-158.3 145.8 65.3 -3.3 8.0 7 11 A L - 0 0 55 -2,-0.3 376,-0.1 1,-0.1 375,-0.1 -0.429 55.8-105.1 -60.6 135.6 66.0 0.3 7.0 8 12 A A - 0 0 9 374,-0.5 2,-0.3 -2,-0.1 373,-0.2 -0.215 36.6-173.7 -67.5 154.4 64.0 1.1 3.9 9 13 A T >> - 0 0 58 371,-0.1 4,-1.4 -3,-0.1 3,-1.3 -0.813 48.0 -87.2-132.2 176.2 65.4 1.4 0.3 10 14 A A T 34 S+ 0 0 29 1,-0.3 368,-0.4 -2,-0.3 3,-0.3 0.878 129.6 52.1 -51.8 -38.6 63.8 2.4 -3.0 11 15 A E T 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 369,-0.0 0.707 114.5 39.8 -73.6 -20.9 62.7 -1.2 -3.4 12 16 A T T X4 S+ 0 0 54 -3,-1.3 3,-0.5 1,-0.1 -1,-0.2 0.452 89.8 87.5-114.0 -0.7 61.0 -1.5 0.0 13 17 A W T 3< S+ 0 0 1 -4,-1.4 -1,-0.1 -3,-0.3 -2,-0.1 0.750 72.0 76.0 -66.7 -24.9 59.4 1.9 0.3 14 18 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.901 114.5 8.8 -56.5 -39.3 56.2 0.8 -1.4 15 19 A N < + 0 0 101 -3,-0.5 4,-0.3 1,-0.1 -2,-0.1 -0.528 66.1 145.2-145.4 70.6 54.8 -1.1 1.5 16 20 A P > + 0 0 6 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.566 54.7 94.7 -79.6 -6.7 56.6 -0.8 4.9 17 21 A W H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.814 77.3 50.7 -65.1 -40.6 53.4 -1.0 6.8 18 22 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 110.4 52.9 -62.8 -37.6 53.3 -4.7 7.7 19 23 A M H > S+ 0 0 16 -3,-0.3 4,-2.0 -4,-0.3 -2,-0.2 0.932 109.9 47.9 -57.8 -48.9 56.8 -4.5 9.0 20 24 A Y H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.890 109.9 52.8 -58.3 -42.6 55.8 -1.5 11.3 21 25 A R H X S+ 0 0 98 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.900 106.3 53.0 -61.7 -43.6 52.7 -3.5 12.5 22 26 A A H X S+ 0 0 28 -4,-2.3 4,-2.4 1,-0.2 5,-0.4 0.917 111.5 46.8 -58.7 -44.6 54.9 -6.5 13.4 23 27 A L H X S+ 0 0 9 -4,-2.0 4,-2.3 3,-0.2 -2,-0.2 0.953 112.6 48.5 -60.7 -51.0 57.1 -4.1 15.5 24 28 A R H < S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 120.0 37.7 -58.1 -42.0 54.2 -2.4 17.2 25 29 A D H < S+ 0 0 48 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.818 132.7 18.9 -81.3 -32.7 52.5 -5.7 18.1 26 30 A H H < S+ 0 0 156 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.601 134.5 16.0-122.0 -14.8 55.5 -7.9 19.0 27 31 A D < + 0 0 64 -4,-2.3 3,-0.3 -5,-0.4 -2,-0.1 -0.339 56.4 167.4-159.3 68.7 58.5 -5.8 19.8 28 32 A P S S+ 0 0 29 0, 0.0 18,-1.2 0, 0.0 2,-0.5 0.711 85.0 43.1 -63.3 -24.1 57.7 -2.1 20.4 29 33 A V E S-A 45 0A 8 16,-0.2 2,-0.4 -6,-0.1 16,-0.2 -0.817 91.6-172.9-118.6 85.5 61.2 -1.4 21.8 30 34 A H E -A 44 0A 27 14,-2.3 14,-1.9 -2,-0.5 2,-0.6 -0.709 18.5-146.1 -97.6 124.9 63.2 -3.3 19.2 31 35 A H E -A 43 0A 74 -2,-0.4 2,-0.6 12,-0.2 12,-0.2 -0.785 12.1-162.5 -90.9 120.5 66.9 -4.0 19.3 32 36 A V E +A 42 0A 20 10,-3.0 10,-2.1 -2,-0.6 -26,-0.0 -0.913 10.0 179.7-103.6 121.2 68.6 -4.0 15.9 33 37 A V - 0 0 72 -2,-0.6 8,-0.1 8,-0.2 6,-0.1 -0.893 25.9-138.0-121.4 96.5 72.1 -5.7 15.9 34 38 A P > - 0 0 21 0, 0.0 3,-1.1 0, 0.0 6,-0.2 -0.353 8.3-143.1 -57.7 121.3 73.4 -5.5 12.3 35 39 A P T 3 S+ 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.857 100.7 44.4 -57.2 -32.8 75.0 -9.0 11.7 36 40 A Q T 3 S+ 0 0 156 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.608 131.1 23.5 -85.2 -12.9 77.9 -7.4 9.6 37 41 A R X + 0 0 110 -3,-1.1 3,-2.2 1,-0.1 -1,-0.2 -0.453 65.3 165.4-151.7 63.9 78.4 -4.6 12.1 38 42 A P G > S+ 0 0 63 0, 0.0 3,-1.0 0, 0.0 -2,-0.1 0.737 74.9 68.1 -62.2 -21.3 77.1 -5.6 15.6 39 43 A E G 3 S+ 0 0 98 1,-0.3 -6,-0.0 -6,-0.1 -2,-0.0 0.595 92.7 62.3 -70.3 -12.3 79.0 -2.6 17.2 40 44 A Y G < S+ 0 0 59 -3,-2.2 -1,-0.3 -6,-0.2 -8,-0.0 -0.086 76.4 149.1-104.3 31.8 76.5 -0.4 15.4 41 45 A D < + 0 0 29 -3,-1.0 263,-0.5 -8,-0.1 2,-0.3 -0.261 17.8 169.9 -64.2 152.9 73.5 -1.7 17.2 42 46 A Y E -A 32 0A 11 -10,-2.1 -10,-3.0 261,-0.1 2,-0.3 -0.904 26.7-113.0-153.5 177.1 70.5 0.6 17.8 43 47 A Y E -Ab 31 305A 19 261,-2.3 263,-3.3 -2,-0.3 2,-0.4 -0.865 16.7-148.9-123.5 157.1 66.9 0.6 19.0 44 48 A V E -Ab 30 306A 0 -14,-1.9 -14,-2.3 -2,-0.3 2,-0.5 -0.991 0.7-158.8-131.9 126.3 63.6 1.3 17.3 45 49 A L E +Ab 29 307A 0 261,-2.9 263,-2.5 -2,-0.4 267,-0.2 -0.917 18.7 165.3-105.2 127.4 60.5 2.8 18.8 46 50 A S + 0 0 0 -18,-1.2 2,-0.3 -2,-0.5 -22,-0.2 0.586 43.0 90.0-118.5 -18.9 57.3 2.0 16.8 47 51 A R S > S- 0 0 69 -19,-0.4 4,-2.5 1,-0.1 5,-0.3 -0.617 73.2-127.4 -89.6 147.4 54.3 2.8 19.0 48 52 A H H > S+ 0 0 10 264,-0.3 4,-3.0 -2,-0.3 5,-0.2 0.902 106.3 52.1 -56.0 -46.3 52.6 6.2 19.1 49 53 A A H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 114.1 41.8 -61.0 -43.4 52.9 6.6 22.9 50 54 A D H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 116.7 47.1 -73.3 -41.4 56.6 5.9 23.1 51 55 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.906 111.6 51.6 -67.4 -41.3 57.5 7.9 20.0 52 56 A W H X S+ 0 0 55 -4,-3.0 4,-1.6 -5,-0.3 -2,-0.2 0.939 114.7 42.4 -58.5 -49.4 55.4 10.9 21.2 53 57 A S H X S+ 0 0 77 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.871 115.1 49.2 -69.0 -38.4 57.1 10.9 24.6 54 58 A A H < S+ 0 0 3 -4,-2.3 7,-0.2 2,-0.2 -1,-0.2 0.875 108.0 53.5 -67.7 -42.2 60.6 10.3 23.3 55 59 A A H < S+ 0 0 7 -4,-2.5 288,-0.3 1,-0.2 287,-0.2 0.899 113.1 44.6 -57.7 -43.3 60.3 13.1 20.7 56 60 A R H < S+ 0 0 159 -4,-1.6 2,-1.8 -5,-0.2 286,-0.3 0.847 98.8 76.8 -67.5 -35.9 59.3 15.6 23.5 57 61 A D X + 0 0 52 -4,-1.6 4,-2.8 1,-0.2 3,-0.3 -0.513 48.6 159.7 -87.9 77.7 62.0 14.4 25.9 58 62 A H T 4 + 0 0 55 -2,-1.8 -1,-0.2 1,-0.2 5,-0.1 0.740 69.7 65.8 -68.2 -24.5 65.1 16.0 24.4 59 63 A Q T 4 S+ 0 0 139 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.924 115.8 26.1 -63.9 -44.3 66.9 15.6 27.8 60 64 A T T 4 S+ 0 0 6 -3,-0.3 229,-2.0 1,-0.2 2,-0.8 0.856 128.1 46.2 -85.4 -39.3 66.9 11.8 27.5 61 65 A F E < S-C 288 0A 9 -4,-2.8 -1,-0.2 -7,-0.2 227,-0.2 -0.822 82.8-164.5-113.9 91.9 66.8 11.6 23.7 62 66 A S E -C 287 0A 6 225,-2.7 225,-2.4 -2,-0.8 3,-0.2 -0.442 24.4-161.7 -83.1 147.5 69.4 14.0 22.3 63 67 A S S > S+ 0 0 0 223,-0.2 3,-1.4 -2,-0.1 -1,-0.1 0.438 70.7 96.5 -96.0 -1.1 69.7 15.3 18.8 64 68 A A T 3 S+ 0 0 27 1,-0.3 -1,-0.1 223,-0.1 3,-0.1 0.573 80.2 49.5 -76.8 -10.3 73.3 16.5 19.2 65 69 A Q T 3 S- 0 0 90 1,-0.4 9,-0.5 -3,-0.2 -1,-0.3 0.409 121.4 -82.6-103.5 0.7 75.0 13.4 17.8 66 70 A G < - 0 0 0 -3,-1.4 -1,-0.4 1,-0.1 5,-0.0 -0.573 29.4 -99.3 120.1 173.6 73.0 13.3 14.6 67 71 A L S S+ 0 0 13 -2,-0.2 218,-2.7 -3,-0.1 2,-0.2 0.243 88.9 74.7-121.2 8.0 69.7 12.0 13.3 68 72 A T S S- 0 0 31 2,-0.2 237,-0.1 216,-0.2 5,-0.1 -0.647 85.6-112.3-111.0 173.9 70.6 8.7 11.5 69 73 A V S S+ 0 0 12 -2,-0.2 2,-0.7 235,-0.1 235,-0.2 0.459 86.1 106.7 -84.4 2.8 71.4 5.3 13.0 70 74 A N > - 0 0 65 1,-0.1 3,-1.9 2,-0.0 -2,-0.2 -0.726 60.5-155.2 -86.7 115.5 75.0 5.7 11.7 71 75 A Y T 3 S+ 0 0 49 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.697 92.8 54.0 -64.6 -19.8 77.4 6.4 14.6 72 76 A G T 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.1 3,-0.3 0.284 76.2 118.9 -94.3 12.7 79.9 8.2 12.3 73 77 A E H <> + 0 0 9 -3,-1.9 4,-2.1 1,-0.2 5,-0.3 0.827 66.8 49.1 -48.3 -55.8 77.3 10.6 10.9 74 78 A L H >>S+ 0 0 10 -9,-0.5 5,-2.4 1,-0.2 4,-1.7 0.896 116.8 41.7 -63.6 -40.9 78.7 14.1 12.0 75 79 A E H 45S+ 0 0 134 -3,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.842 111.5 58.1 -69.7 -33.2 82.2 13.4 10.7 76 80 A M H <5S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.8 32.8 -63.9 -36.8 80.8 11.7 7.6 77 81 A I H <5S- 0 0 78 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.708 111.1-119.7 -92.6 -22.4 78.9 14.9 6.6 78 82 A G T <5S+ 0 0 55 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.806 80.7 112.2 88.2 33.6 81.4 17.3 8.1 79 83 A L < + 0 0 54 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.108 34.4 107.8-123.4 22.3 79.2 19.0 10.6 80 84 A H S S+ 0 0 98 -6,-0.6 -5,-0.1 1,-0.2 -1,-0.1 0.893 74.7 57.6 -66.2 -41.8 80.8 17.9 13.9 81 85 A D S S+ 0 0 158 1,-0.3 -1,-0.2 -7,-0.1 -2,-0.1 0.942 130.5 2.1 -54.9 -56.6 82.3 21.2 14.8 82 86 A T S S- 0 0 68 6,-0.0 -1,-0.3 141,-0.0 -2,-0.1 -0.831 81.1-153.1-134.7 92.5 79.1 23.2 14.7 83 87 A P - 0 0 30 0, 0.0 -3,-0.1 0, 0.0 143,-0.0 -0.290 26.0-102.4 -63.7 153.6 76.0 21.0 14.0 84 88 A P > - 0 0 13 0, 0.0 3,-2.3 0, 0.0 143,-0.1 -0.096 43.4 -88.3 -67.7 173.6 72.9 22.6 12.4 85 89 A M G > S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 12,-0.1 0.800 126.6 58.3 -61.2 -29.7 69.8 23.6 14.3 86 90 A V G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -22,-0.0 -20,-0.1 0.503 108.5 47.8 -79.0 -3.4 68.2 20.1 13.9 87 91 A M G < S+ 0 0 19 -3,-2.3 2,-0.4 -23,-0.1 -1,-0.3 -0.059 95.5 97.3-124.7 26.1 71.2 18.6 15.6 88 92 A Q < - 0 0 39 -3,-1.4 -23,-0.1 -6,-0.1 -25,-0.0 -0.924 58.8-151.0-112.5 141.5 71.3 21.1 18.5 89 93 A D > - 0 0 38 -2,-0.4 4,-2.2 -27,-0.1 3,-0.4 -0.732 40.8 -58.7 -99.0 159.0 69.8 20.5 22.0 90 94 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 252,-0.0 -0.498 116.2 32.8 -63.8 147.5 68.4 23.2 24.3 91 95 A P T >> S+ 0 0 111 0, 0.0 4,-1.1 0, 0.0 3,-0.5 -0.980 127.0 43.2 -84.3 -18.0 69.7 25.7 25.4 92 96 A V H 3> S+ 0 0 105 -3,-0.4 4,-0.9 1,-0.2 3,-0.2 0.901 119.1 47.9 -50.7 -45.8 71.9 26.1 22.3 93 97 A H H 3X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.822 101.2 67.1 -64.2 -34.6 68.9 25.3 20.1 94 98 A T H <> S+ 0 0 76 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.874 98.3 44.2 -65.4 -49.0 66.5 27.7 21.9 95 99 A E H X S+ 0 0 111 -4,-1.1 4,-2.2 -3,-0.2 -1,-0.2 0.947 116.2 46.0 -65.5 -47.1 67.9 31.2 21.1 96 100 A F H X S+ 0 0 26 -4,-0.9 4,-2.6 1,-0.2 5,-0.3 0.914 112.5 51.6 -60.6 -43.1 68.5 30.5 17.4 97 101 A R H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 108.2 52.7 -61.2 -38.9 65.1 28.9 17.1 98 102 A K H X S+ 0 0 118 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.930 111.4 46.4 -61.6 -44.5 63.5 31.9 18.7 99 103 A L H >< S+ 0 0 14 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.949 115.2 42.8 -65.7 -50.1 65.2 34.2 16.2 100 104 A V H >< S+ 0 0 0 -4,-2.6 3,-2.6 1,-0.2 -1,-0.2 0.839 100.5 71.9 -67.5 -31.1 64.4 32.3 13.0 101 105 A S H >< S+ 0 0 36 -4,-2.2 3,-2.2 -5,-0.3 -1,-0.2 0.751 80.7 74.9 -55.4 -23.3 60.8 31.7 14.2 102 106 A R T << S+ 0 0 102 -3,-1.2 -1,-0.3 -4,-0.6 3,-0.2 0.726 94.7 51.9 -61.4 -22.4 60.2 35.4 13.5 103 107 A G T < S+ 0 0 0 -3,-2.6 100,-0.4 -4,-0.2 -1,-0.3 0.270 99.2 69.4 -95.1 10.3 60.2 34.3 9.8 104 108 A F < + 0 0 34 -3,-2.2 -1,-0.2 98,-0.1 245,-0.1 -0.607 69.7 118.0-127.7 70.1 57.6 31.6 10.4 105 109 A T S >> S- 0 0 51 -2,-0.2 4,-1.3 -3,-0.2 3,-0.7 -0.734 81.6 -89.8-124.1 173.8 54.4 33.3 11.1 106 110 A P H 3> S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 121.7 65.3 -57.3 -31.5 51.0 33.4 9.4 107 111 A R H 3> S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 100.9 47.8 -53.2 -48.2 52.2 36.4 7.3 108 112 A Q H <> S+ 0 0 10 -3,-0.7 4,-0.9 1,-0.2 -1,-0.2 0.827 113.5 46.5 -69.2 -30.6 54.9 34.4 5.5 109 113 A V H X S+ 0 0 18 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.897 114.6 48.7 -73.5 -38.7 52.6 31.5 4.7 110 114 A E H < S+ 0 0 126 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.879 105.6 55.8 -69.1 -38.7 49.9 33.9 3.5 111 115 A T H < S+ 0 0 84 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.823 111.8 42.8 -68.3 -28.5 52.1 36.0 1.3 112 116 A V H X S+ 0 0 2 -4,-0.9 4,-2.3 -5,-0.2 3,-0.3 0.624 90.6 87.8 -93.1 -11.5 53.3 33.0 -0.8 113 117 A E H X S+ 0 0 39 -4,-0.8 4,-3.0 -3,-0.5 5,-0.2 0.901 86.3 50.2 -59.6 -44.6 50.0 31.3 -1.2 114 118 A P H > S+ 0 0 88 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.898 111.6 50.4 -61.4 -34.3 48.8 33.1 -4.4 115 119 A T H > S+ 0 0 39 -4,-0.3 4,-2.1 -3,-0.3 -2,-0.2 0.915 111.4 48.2 -64.8 -45.0 52.2 32.3 -6.0 116 120 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.944 112.9 48.1 -57.7 -50.4 51.8 28.6 -5.0 117 121 A R H X S+ 0 0 84 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.917 109.9 51.5 -59.5 -45.2 48.3 28.5 -6.4 118 122 A K H X S+ 0 0 163 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.916 113.2 45.2 -58.7 -43.8 49.3 30.2 -9.7 119 123 A F H X S+ 0 0 25 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.932 112.1 51.0 -68.2 -45.3 52.1 27.7 -10.2 120 124 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.930 112.6 46.9 -55.4 -47.6 49.9 24.7 -9.2 121 125 A V H X S+ 0 0 30 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.923 111.1 51.3 -61.3 -47.5 47.2 25.8 -11.7 122 126 A E H X S+ 0 0 91 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.935 115.7 41.5 -54.4 -49.6 49.7 26.4 -14.5 123 127 A R H X S+ 0 0 63 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.863 114.4 49.5 -72.7 -38.0 51.2 23.0 -14.1 124 128 A L H X S+ 0 0 3 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.879 110.1 52.3 -68.8 -38.2 47.9 21.1 -13.6 125 129 A E H X S+ 0 0 56 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.904 109.2 49.5 -62.5 -41.4 46.5 22.7 -16.7 126 130 A K H X S+ 0 0 111 -4,-1.8 4,-1.8 -5,-0.2 6,-0.2 0.939 113.0 47.3 -62.1 -45.7 49.5 21.7 -18.8 127 131 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 4,-0.3 0.944 112.0 50.1 -58.4 -47.6 49.1 18.1 -17.5 128 132 A R H ><5S+ 0 0 113 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.930 109.5 50.7 -57.5 -48.6 45.4 18.1 -18.2 129 133 A A H 3<5S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 113.1 46.7 -58.9 -35.2 45.9 19.4 -21.7 130 134 A N T 3<5S- 0 0 114 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.341 115.8-113.6 -90.1 5.1 48.4 16.6 -22.3 131 135 A G T < 5S- 0 0 26 -3,-1.7 263,-2.0 -4,-0.3 2,-0.3 0.646 76.7 -45.1 70.9 17.3 46.2 13.9 -20.8 132 136 A G B < +E 393 0B 10 -5,-2.8 2,-0.3 261,-0.3 261,-0.2 -0.836 68.5 161.5 125.3-166.1 48.7 13.5 -17.9 133 137 A G - 0 0 34 259,-2.4 2,-1.7 -2,-0.3 259,-0.4 -0.958 56.2 -13.2 145.3-158.1 52.4 13.2 -17.5 134 138 A D > + 0 0 61 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.566 53.1 173.0 -85.2 82.2 55.2 13.5 -15.0 135 139 A I H >>S+ 0 0 0 -2,-1.7 5,-2.4 255,-0.6 4,-1.5 0.781 76.8 54.0 -63.7 -28.9 53.5 15.2 -12.1 136 140 A V H 4>S+ 0 0 2 254,-0.3 5,-2.5 3,-0.2 -1,-0.2 0.978 113.2 39.6 -69.3 -53.5 56.5 14.8 -9.9 137 141 A T H 45S+ 0 0 69 1,-0.2 -2,-0.2 3,-0.2 -1,-0.1 0.882 123.8 39.9 -62.4 -37.0 59.0 16.5 -12.3 138 142 A E H <5S- 0 0 57 -4,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.696 137.4 -3.6 -91.6 -20.8 56.6 19.2 -13.4 139 143 A L T X5S+ 0 0 1 -4,-1.5 4,-2.4 -5,-0.2 -3,-0.2 0.601 122.0 53.7-134.6 -57.4 54.9 20.1 -10.1 140 144 A F T 4 S+ 0 0 15 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.837 105.4 67.5 -67.0 -31.1 59.7 22.4 -8.3 143 147 A L H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.7 0.949 99.9 45.1 -54.5 -56.6 56.8 23.7 -6.1 144 148 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.823 106.2 62.7 -63.4 -25.6 58.4 23.2 -2.6 145 149 A S H 3X S+ 0 0 2 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.909 102.9 49.4 -61.7 -41.1 61.7 24.7 -3.9 146 150 A M H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.6 0.925 107.7 50.2 -56.4 -47.0 63.1 30.2 -1.5 150 154 A H H ><5S+ 0 0 42 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.911 108.4 52.0 -55.5 -45.4 60.4 32.5 -0.2 151 155 A Y H 3<5S+ 0 0 7 -4,-2.2 52,-1.3 1,-0.3 53,-0.4 0.723 110.0 49.6 -68.7 -19.2 61.2 31.5 3.4 152 156 A L T <<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.339 115.5-115.2 -96.5 2.8 64.9 32.4 2.8 153 157 A G T < 5 + 0 0 10 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.767 55.8 163.3 66.5 26.3 64.0 35.8 1.3 154 158 A V < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.662 44.1-113.9 -73.0 123.5 65.4 34.8 -2.2 155 159 A P > - 0 0 25 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.328 22.1-116.5 -59.0 143.5 64.0 37.3 -4.7 156 160 A E G > S+ 0 0 130 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.787 112.1 65.6 -52.5 -33.5 61.7 35.7 -7.2 157 161 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.669 103.4 48.1 -65.0 -17.2 64.0 36.5 -10.1 158 162 A D G <> S+ 0 0 44 -3,-2.5 4,-2.3 1,-0.1 -1,-0.3 0.334 80.6 99.3-104.6 5.6 66.6 34.1 -8.6 159 163 A W H <> S+ 0 0 29 -3,-1.6 4,-2.3 -4,-0.2 -1,-0.1 0.840 80.0 53.4 -64.9 -33.7 64.2 31.1 -8.0 160 164 A T H > S+ 0 0 121 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.935 112.3 43.3 -68.7 -44.9 65.3 29.2 -11.2 161 165 A Q H > S+ 0 0 115 1,-0.2 4,-1.7 -4,-0.2 -2,-0.2 0.907 114.6 51.5 -64.0 -39.8 69.0 29.4 -10.3 162 166 A F H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.868 105.0 56.4 -65.5 -36.2 68.1 28.5 -6.7 163 167 A D H X S+ 0 0 48 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.875 104.1 55.2 -58.4 -40.8 66.0 25.5 -8.0 164 168 A G H X S+ 0 0 41 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.946 111.1 41.6 -61.5 -49.6 69.1 24.2 -9.8 165 169 A W H X S+ 0 0 30 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.924 113.8 55.0 -63.0 -44.2 71.2 24.2 -6.6 166 170 A T H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.921 105.7 50.7 -54.4 -47.1 68.3 22.8 -4.7 167 171 A Q H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.889 110.6 48.4 -65.9 -38.3 67.8 19.8 -7.0 168 172 A A H X S+ 0 0 42 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.922 115.2 45.4 -64.3 -43.5 71.5 18.8 -6.8 169 173 A I H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 112.5 49.6 -65.7 -46.0 71.5 19.1 -3.0 170 174 A V H X S+ 0 0 5 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.918 112.5 48.3 -60.1 -45.2 68.2 17.2 -2.5 171 175 A A H < S+ 0 0 70 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.905 115.2 44.6 -61.9 -42.5 69.5 14.4 -4.8 172 176 A A H < S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 112.2 52.2 -69.5 -35.6 72.8 14.2 -3.0 173 177 A N H < 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.651 360.0 360.0 -75.7 -18.6 71.1 14.3 0.5 174 178 A A < 0 0 46 -4,-1.1 -1,-0.2 -3,-0.3 209,-0.2 0.847 360.0 360.0 -72.3 360.0 68.7 11.5 -0.4 175 ! 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 0.0 176 185 A G 0 0 119 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 163.3 78.3 15.2 -3.3 177 186 A A > + 0 0 19 1,-0.1 4,-3.1 -5,-0.1 5,-0.3 -0.399 360.0 155.1-143.5 55.4 76.9 18.5 -4.7 178 187 A L H > S+ 0 0 149 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 71.6 48.5 -61.6 -45.1 80.0 20.7 -4.6 179 188 A D H > S+ 0 0 144 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.948 117.3 44.5 -55.4 -51.1 79.0 23.1 -7.4 180 189 A A H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 114.1 46.8 -62.6 -47.6 75.6 23.6 -5.8 181 190 A V H X S+ 0 0 55 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.952 116.5 46.1 -63.4 -48.0 76.8 23.9 -2.2 182 191 A G H X S+ 0 0 37 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.908 114.4 46.5 -57.2 -47.7 79.5 26.4 -3.3 183 192 A S H X S+ 0 0 49 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.912 116.3 45.6 -61.6 -44.6 77.1 28.4 -5.5 184 193 A M H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.940 112.8 47.5 -69.5 -46.1 74.5 28.5 -2.7 185 194 A M H X S+ 0 0 47 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.901 115.5 48.3 -64.8 -35.4 76.9 29.4 0.1 186 195 A A H X S+ 0 0 64 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.908 111.0 49.2 -63.9 -46.3 78.3 32.1 -2.2 187 196 A Y H X S+ 0 0 45 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.906 112.4 47.8 -60.7 -46.7 74.9 33.5 -3.1 188 197 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.810 102.0 62.5 -69.8 -29.2 73.7 33.7 0.5 189 198 A T H X S+ 0 0 76 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.951 110.7 41.7 -55.4 -46.7 77.0 35.4 1.6 190 199 A G H X S+ 0 0 44 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.887 114.6 49.6 -64.9 -43.7 75.9 38.2 -0.8 191 200 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 109.0 52.0 -66.8 -41.2 72.2 38.1 0.3 192 201 A I H X S+ 0 0 8 -4,-3.1 4,-0.7 2,-0.2 -1,-0.2 0.928 109.7 50.4 -57.7 -46.0 73.1 38.2 4.0 193 202 A E H >< S+ 0 0 116 -4,-1.7 3,-1.0 -5,-0.3 4,-0.5 0.911 110.2 50.3 -58.0 -44.5 75.2 41.2 3.3 194 203 A R H >X S+ 0 0 93 -4,-2.2 4,-2.3 1,-0.2 3,-1.6 0.908 102.6 60.2 -60.8 -41.8 72.3 42.9 1.5 195 204 A R H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.656 88.2 74.5 -65.8 -13.6 69.9 42.2 4.3 196 205 A R T << S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.863 117.3 16.6 -61.2 -36.3 72.1 44.3 6.6 197 206 A T T <4 S+ 0 0 115 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.614 134.6 41.7-113.5 -18.5 70.8 47.4 4.9 198 207 A E S < S+ 0 0 100 -4,-2.3 2,-0.2 7,-0.0 -2,-0.2 -0.490 75.1 176.2-127.5 61.8 67.6 46.1 3.1 199 208 A P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.452 3.8-176.6 -72.4 137.7 65.9 43.7 5.6 200 209 A A - 0 0 43 -2,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.168 44.2 -83.4-108.7-151.0 62.6 42.2 4.7 201 210 A D S S+ 0 0 96 -2,-0.1 -93,-0.1 4,-0.1 -94,-0.0 0.427 87.3 108.8-103.5 2.0 60.3 39.9 6.7 202 211 A D S > S- 0 0 12 1,-0.1 4,-2.5 -98,-0.1 5,-0.2 -0.139 82.9-100.4 -79.8 172.4 62.0 36.5 6.1 203 212 A A H > S+ 0 0 0 -52,-1.3 4,-1.9 -100,-0.4 -51,-0.1 0.852 121.1 48.4 -62.7 -39.2 64.0 34.3 8.4 204 213 A I H > S+ 0 0 0 -53,-0.4 4,-2.7 2,-0.2 5,-0.2 0.956 110.8 50.9 -66.8 -48.4 67.4 35.4 7.1 205 214 A S H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.906 110.9 50.5 -51.3 -44.2 66.4 39.1 7.3 206 215 A H H X S+ 0 0 49 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.878 109.1 49.5 -64.4 -39.8 65.3 38.5 10.9 207 216 A L H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 -2,-0.2 0.945 114.5 45.0 -63.6 -48.6 68.6 36.8 11.8 208 217 A V H ><5S+ 0 0 15 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.936 112.0 51.2 -60.0 -47.8 70.6 39.6 10.4 209 218 A A H 3<5S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 105.0 58.2 -60.4 -32.7 68.4 42.3 12.0 210 219 A A T 3<5S- 0 0 44 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.393 123.5-105.8 -78.2 1.7 68.9 40.5 15.3 211 220 A G T X 5 + 0 0 35 -3,-2.0 3,-1.7 1,-0.3 2,-0.5 0.575 63.1 157.0 86.6 11.2 72.7 40.9 15.0 212 221 A V T 3 + 0 0 76 -3,-1.1 4,-2.1 -4,-0.4 3,-0.3 -0.552 12.7 175.2 -78.4 82.3 81.1 37.5 14.2 218 227 A T H > S+ 0 0 114 -2,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.867 76.5 56.0 -53.7 -43.9 82.1 34.9 11.5 219 228 A A H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 106.0 51.1 -59.7 -43.0 80.5 32.1 13.5 220 229 A G H > S+ 0 0 7 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.946 110.7 48.0 -57.7 -50.6 77.2 33.9 13.6 221 230 A T H >X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 3,-0.5 0.926 109.1 54.3 -58.2 -42.4 77.3 34.4 9.8 222 231 A L H 3X S+ 0 0 103 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.864 103.3 56.8 -59.3 -36.9 78.2 30.7 9.4 223 232 A S H 3X S+ 0 0 37 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.840 106.2 49.6 -64.9 -33.4 75.1 29.8 11.4 224 233 A I H S+ 0 0 7 -5,-0.3 4,-2.3 1,-0.2 5,-0.1 0.849 116.8 57.6 -61.2 -32.1 61.9 16.1 -0.5 238 247 A T H > S+ 0 0 29 -5,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 108.7 43.2 -60.1 -51.6 59.5 16.0 2.4 239 248 A V H > S+ 0 0 7 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.906 112.9 52.9 -64.3 -40.8 56.8 18.1 0.6 240 249 A T H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.899 109.8 50.5 -60.8 -37.1 57.4 16.1 -2.6 241 250 A G H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.902 110.3 48.2 -64.6 -44.6 56.8 13.0 -0.5 242 251 A M H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.953 117.5 42.0 -59.8 -49.6 53.6 14.3 0.9 243 252 A L H X S+ 0 0 7 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.953 121.8 37.6 -67.6 -51.6 52.3 15.4 -2.5 244 253 A G H >< S+ 0 0 0 -4,-2.8 3,-0.9 -5,-0.2 -3,-0.2 0.907 114.9 54.3 -67.8 -41.7 53.3 12.3 -4.5 245 254 A G H 3X S+ 0 0 2 -4,-2.3 4,-0.7 -5,-0.4 -1,-0.2 0.789 103.5 57.4 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