==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-13 4IQ7 . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.FONVIELLE,M.H.LEDU,O.LEQUIN,A.LECOQ,M.JACQUET,R.THAI,S.DUB . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.6 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 . 1 0.3 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 . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 37.6 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 1 1 1 2 2 1 2 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 3 A A 0 0 160 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.3 -13.3 -10.0 -13.8 2 4 A T - 0 0 142 3,-0.0 2,-0.1 0, 0.0 3,-0.1 -0.885 360.0-114.7-125.2 156.1 -11.1 -6.9 -13.8 3 5 A V - 0 0 111 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.451 49.8 -76.5 -85.1 163.4 -8.9 -5.2 -11.1 4 6 A L - 0 0 51 1,-0.1 -1,-0.1 -2,-0.1 29,-0.1 -0.303 65.4 -83.6 -57.5 139.1 -9.6 -1.8 -9.6 5 7 A L - 0 0 57 26,-0.3 28,-2.3 27,-0.1 2,-0.3 -0.232 51.9-141.4 -48.7 125.1 -8.7 1.2 -12.0 6 8 A E B -a 33 0A 112 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.715 16.8-107.3 -96.1 147.0 -5.0 1.9 -11.6 7 9 A V S S+ 0 0 17 26,-2.3 28,-0.2 -2,-0.3 2,-0.2 -0.917 85.5 45.3-119.7 149.9 -3.2 5.3 -11.6 8 10 A P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.574 65.6-158.5 -75.2 164.5 -1.5 7.1 -13.4 9 11 A F - 0 0 54 1,-0.3 2,-0.3 -2,-0.2 -3,-0.1 0.860 67.7 -9.2 -78.2 -41.6 -3.4 6.6 -16.7 10 12 A S - 0 0 36 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.950 44.3-144.1-158.6 144.1 -0.6 7.5 -19.2 11 13 A A + 0 0 29 -2,-0.3 2,-0.2 -3,-0.1 375,-0.2 0.516 69.4 116.0 -84.1 -8.9 2.9 9.0 -19.1 12 14 A R - 0 0 52 1,-0.1 3,-0.2 366,-0.1 -2,-0.1 -0.472 43.9-173.5 -65.7 126.2 2.2 10.9 -22.4 13 15 A G S S+ 0 0 8 -2,-0.2 263,-0.4 1,-0.1 -1,-0.1 0.228 73.5 70.4-102.9 9.8 2.2 14.6 -21.9 14 16 A D S S+ 0 0 40 1,-0.2 2,-0.3 261,-0.1 -1,-0.1 0.401 104.3 29.1-104.6 -3.8 1.0 15.5 -25.4 15 17 A R S S- 0 0 151 -3,-0.2 -1,-0.2 261,-0.1 -3,-0.0 -0.982 72.7-125.7-154.6 147.8 -2.6 14.3 -25.0 16 18 A I - 0 0 47 -2,-0.3 -3,-0.1 -3,-0.1 260,-0.0 -0.825 38.4-112.9 -94.9 129.7 -5.2 13.9 -22.3 17 19 A P > - 0 0 30 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.369 16.5-125.7 -63.0 143.8 -6.6 10.4 -22.0 18 20 A D T 3> S+ 0 0 130 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.742 105.9 74.3 -57.1 -26.0 -10.4 10.0 -22.9 19 21 A A H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.760 84.5 64.9 -57.1 -33.1 -10.8 8.4 -19.4 20 22 A V H <> S+ 0 0 1 -3,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.967 105.9 40.0 -59.7 -54.8 -10.4 11.8 -17.6 21 23 A A H > S+ 0 0 47 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.846 115.0 53.7 -61.2 -39.8 -13.6 13.3 -19.1 22 24 A E H X S+ 0 0 107 -4,-1.5 4,-2.1 2,-0.2 5,-0.3 0.903 113.2 42.7 -63.4 -42.9 -15.5 9.9 -18.6 23 25 A L H X S+ 0 0 16 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.927 113.3 52.9 -67.5 -45.1 -14.5 9.8 -14.9 24 26 A R H < S+ 0 0 23 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 114.5 40.9 -59.7 -40.5 -15.3 13.6 -14.5 25 27 A T H < S+ 0 0 117 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.923 129.0 27.2 -72.2 -48.7 -18.8 13.2 -15.9 26 28 A R H < S+ 0 0 198 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.815 138.8 6.7 -88.0 -38.1 -19.8 9.9 -14.2 27 29 A E < + 0 0 88 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 -0.547 57.1 177.5-150.6 72.8 -17.7 9.7 -11.0 28 30 A P S S+ 0 0 36 0, 0.0 16,-2.7 0, 0.0 17,-0.5 0.609 86.0 39.9 -59.2 -12.4 -15.8 12.9 -10.2 29 31 A I E S+ B 0 43A 7 14,-0.2 2,-0.3 -6,-0.2 14,-0.2 -0.955 83.5 150.1-133.6 115.8 -14.6 11.2 -7.0 30 32 A R E - B 0 42A 51 12,-2.0 12,-3.3 -2,-0.4 2,-0.2 -0.992 46.1 -97.8-148.3 156.8 -13.8 7.5 -7.3 31 33 A K E + B 0 41A 54 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.510 43.5 169.0 -77.8 135.6 -11.6 4.8 -5.8 32 34 A V E - B 0 40A 0 8,-2.7 8,-2.3 -2,-0.2 2,-0.5 -0.905 31.6-118.7-135.4 168.0 -8.3 3.9 -7.6 33 35 A R E -aB 6 39A 75 -28,-2.3 -26,-2.3 -2,-0.3 6,-0.2 -0.941 25.5-147.8-113.1 132.1 -5.1 1.8 -6.9 34 36 A T > - 0 0 6 4,-2.7 3,-2.0 -2,-0.5 38,-0.1 -0.396 35.0 -94.9 -87.2 173.2 -1.7 3.5 -6.8 35 37 A I T 3 S+ 0 0 60 36,-0.5 135,-0.1 1,-0.3 37,-0.1 0.666 124.2 59.9 -62.0 -20.7 1.7 1.9 -7.8 36 38 A T T 3 S- 0 0 52 34,-0.4 -1,-0.3 35,-0.4 3,-0.1 0.554 119.3-109.6 -82.8 -10.6 2.3 0.9 -4.2 37 39 A G S < S+ 0 0 37 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.273 76.7 134.1 95.4 -5.3 -0.9 -1.2 -4.2 38 40 A A - 0 0 20 32,-0.4 -4,-2.7 -5,-0.1 -1,-0.3 -0.384 56.0-122.2 -72.6 152.9 -2.7 1.3 -1.8 39 41 A E E +B 33 0A 95 -6,-0.2 263,-0.4 -3,-0.1 2,-0.3 -0.656 36.2 173.7 -92.5 148.2 -6.3 2.4 -2.6 40 42 A A E -B 32 0A 2 -8,-2.3 -8,-2.7 -2,-0.2 2,-0.6 -0.964 35.3-110.2-147.8 165.1 -7.0 6.2 -3.0 41 43 A W E -Bc 31 303A 35 261,-2.2 263,-3.2 -2,-0.3 2,-0.5 -0.912 29.4-152.9-100.4 118.2 -9.8 8.6 -4.0 42 44 A L E -Bc 30 304A 4 -12,-3.3 -12,-2.0 -2,-0.6 2,-0.5 -0.854 7.5-159.3 -94.5 123.2 -9.1 10.2 -7.3 43 45 A V E +Bc 29 305A 0 261,-3.0 263,-2.4 -2,-0.5 -14,-0.2 -0.925 19.8 164.7-108.1 124.7 -10.8 13.7 -7.6 44 46 A S + 0 0 0 -16,-2.7 2,-0.3 -2,-0.5 -20,-0.1 0.346 40.8 86.6-127.7 4.2 -11.3 15.0 -11.2 45 47 A S S > S- 0 0 14 -17,-0.5 4,-2.5 1,-0.1 265,-0.3 -0.800 73.7-124.6-105.2 154.2 -13.8 17.9 -11.3 46 48 A Y H > S+ 0 0 20 263,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.941 110.5 52.2 -57.8 -49.8 -12.9 21.6 -10.8 47 49 A A H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 116.0 38.4 -55.1 -49.1 -15.4 22.0 -8.0 48 50 A L H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 112.6 55.3 -74.6 -35.5 -14.2 19.0 -6.0 49 51 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 111.9 45.7 -60.9 -45.5 -10.4 19.5 -6.7 50 52 A T H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.897 109.5 55.0 -66.0 -38.4 -10.8 23.1 -5.2 51 53 A Q H < S+ 0 0 64 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.938 111.9 43.2 -58.3 -48.5 -12.8 21.8 -2.3 52 54 A V H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 6,-0.3 0.949 114.8 48.6 -63.5 -49.1 -10.0 19.3 -1.3 53 55 A L H 3< S+ 0 0 7 -4,-2.6 287,-0.5 1,-0.3 288,-0.3 0.787 111.1 51.4 -64.9 -26.6 -7.1 21.8 -1.9 54 56 A E T 3< S+ 0 0 116 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.433 95.9 79.2 -88.0 -1.8 -8.9 24.6 0.2 55 57 A D X - 0 0 29 -3,-1.4 3,-1.9 -4,-0.4 -1,-0.1 -0.928 61.7-163.4-113.3 108.6 -9.5 22.3 3.2 56 58 A R T 3 S+ 0 0 169 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.679 84.8 77.8 -62.4 -19.5 -6.4 21.9 5.5 57 59 A R T 3 S+ 0 0 117 1,-0.1 230,-2.1 2,-0.1 2,-1.0 0.734 82.2 71.8 -64.3 -18.8 -8.0 18.8 7.1 58 60 A F E < S-D 286 0A 4 -3,-1.9 2,-0.4 -6,-0.3 228,-0.2 -0.869 93.7-156.9 -92.0 94.6 -6.9 17.1 3.8 59 61 A S E -D 285 0A 20 226,-2.8 226,-2.4 -2,-1.0 4,-0.3 -0.735 37.0-170.0 -89.8 132.7 -3.2 17.3 4.9 60 62 A M S > S+ 0 0 55 -2,-0.4 3,-1.5 224,-0.2 4,-0.4 0.928 95.8 55.1 -74.0 -48.3 -0.0 17.3 2.8 61 63 A K G > S+ 0 0 108 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.891 102.9 55.5 -48.4 -49.3 2.1 16.9 6.0 62 64 A E G > S+ 0 0 74 1,-0.3 3,-1.6 223,-0.2 -1,-0.3 0.638 86.0 78.5 -66.9 -13.1 0.1 13.7 7.1 63 65 A T G < S+ 0 0 14 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.767 91.0 57.6 -64.2 -23.0 0.9 11.9 3.8 64 66 A A G < S+ 0 0 17 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.475 79.4 123.1 -83.4 -6.0 4.4 11.2 5.3 65 67 A A S X S- 0 0 34 -3,-1.6 3,-1.5 -4,-0.1 2,-0.1 -0.267 73.8-103.1 -58.0 139.3 2.8 9.4 8.4 66 68 A A T 3 S+ 0 0 108 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.412 105.6 17.8 -64.3 137.6 4.1 5.8 8.9 67 69 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.402 91.0 136.7 83.6 -3.3 1.5 3.2 7.8 68 70 A A < - 0 0 16 -3,-1.5 -1,-0.3 1,-0.1 2,-0.1 -0.430 68.2 -97.4 -71.5 152.3 -0.5 5.6 5.7 69 71 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.520 52.0-147.2 -67.0 135.4 -1.7 4.5 2.2 70 72 A R - 0 0 55 -2,-0.1 -34,-0.4 1,-0.1 -32,-0.4 -0.907 30.9-156.4-116.1 145.2 0.9 6.0 -0.2 71 73 A L S S- 0 0 16 -2,-0.4 -36,-0.5 1,-0.3 -35,-0.4 0.893 87.4 -27.7 -73.5 -42.4 0.8 7.4 -3.8 72 74 A N S S- 0 0 19 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.926 82.8 -68.7-160.6 175.7 4.6 6.5 -4.0 73 75 A A - 0 0 10 96,-2.8 96,-0.4 -2,-0.3 2,-0.1 -0.485 52.9-104.1 -77.8 147.9 7.7 6.1 -1.8 74 76 A L - 0 0 51 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.469 26.0-171.8 -68.3 140.5 9.3 9.1 -0.2 75 77 A T S S+ 0 0 24 -2,-0.1 -1,-0.1 90,-0.1 105,-0.1 0.253 75.1 46.6-110.4 4.9 12.6 10.3 -1.9 76 78 A V S S- 0 0 40 104,-0.0 5,-0.1 2,-0.0 101,-0.1 -0.935 105.6 -76.1-136.4 163.5 13.3 12.7 1.1 77 79 A P >> - 0 0 39 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.289 50.9-112.3 -59.5 144.1 13.2 12.5 4.9 78 80 A P G >4 S+ 0 0 71 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.807 115.9 59.2 -50.8 -34.4 9.5 12.5 6.1 79 81 A E G >4 S+ 0 0 122 1,-0.2 3,-0.9 2,-0.2 7,-0.2 0.767 93.5 67.3 -66.4 -24.8 9.9 15.9 7.8 80 82 A V G X4 S+ 0 0 13 -3,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.761 84.7 69.8 -69.2 -22.9 10.9 17.4 4.4 81 83 A V G << S+ 0 0 29 -3,-1.0 3,-0.3 -4,-0.6 -1,-0.2 0.885 98.5 52.0 -59.7 -34.4 7.3 16.8 3.2 82 84 A N G <> S+ 0 0 30 -3,-0.9 4,-2.5 -4,-0.5 -1,-0.3 0.057 77.2 134.0 -87.3 25.7 6.3 19.6 5.7 83 85 A N H <> S+ 0 0 19 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.856 70.7 42.0 -43.9 -57.5 9.0 21.9 4.0 84 86 A M H > S+ 0 0 41 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.882 113.9 53.6 -62.2 -38.3 6.9 25.1 3.7 85 87 A G H > S+ 0 0 19 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 110.3 47.3 -59.6 -41.4 5.5 24.5 7.2 86 88 A N H X S+ 0 0 45 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.888 112.5 48.7 -68.8 -41.6 9.1 24.2 8.6 87 89 A I H <>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.2 6,-0.4 0.931 113.2 48.3 -61.4 -46.6 10.2 27.4 6.7 88 90 A A H ><5S+ 0 0 44 -4,-2.9 3,-1.7 1,-0.2 5,-0.2 0.937 111.0 49.9 -60.1 -47.4 7.0 29.3 8.1 89 91 A D H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.693 107.3 54.8 -62.6 -28.7 7.7 28.1 11.7 90 92 A A T 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.445 116.9-116.3 -83.0 -5.9 11.4 29.3 11.4 91 93 A G T < 5S+ 0 0 46 -3,-1.7 4,-0.2 -4,-0.3 -3,-0.2 0.713 84.1 118.5 74.2 26.4 10.1 32.7 10.5 92 94 A L >< + 0 0 0 -5,-2.6 4,-2.1 -6,-0.2 -4,-0.2 0.423 34.2 98.8-104.4 0.2 11.7 32.4 7.0 93 95 A R H > S+ 0 0 118 -6,-0.4 4,-2.6 -5,-0.2 5,-0.2 0.928 84.9 45.9 -54.8 -54.9 8.7 32.6 4.6 94 96 A K H > S+ 0 0 185 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 113.5 49.7 -56.9 -44.6 9.0 36.3 3.7 95 97 A A H > S+ 0 0 22 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 113.0 45.7 -63.9 -41.9 12.8 36.1 3.1 96 98 A V H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.931 113.3 50.4 -66.9 -44.9 12.5 33.0 0.9 97 99 A M H >< S+ 0 0 68 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.914 111.0 48.9 -57.9 -47.4 9.5 34.6 -1.1 98 100 A K H >< S+ 0 0 169 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.845 109.2 52.8 -63.0 -37.9 11.5 37.8 -1.7 99 101 A A H 3< S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.2 101,-0.2 0.743 108.8 49.9 -71.8 -23.2 14.6 35.9 -2.9 100 102 A I T << S+ 0 0 12 -4,-1.2 248,-0.3 -3,-0.6 -1,-0.2 0.257 80.0 118.7-102.3 13.4 12.6 34.0 -5.5 101 103 A T X - 0 0 54 -3,-0.9 3,-1.0 -4,-0.2 244,-0.0 -0.547 63.3-139.3 -76.2 139.6 10.8 36.9 -7.2 102 104 A P T 3 S+ 0 0 8 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.544 94.0 79.5 -74.2 -5.5 11.5 37.4 -10.9 103 105 A K T 3 + 0 0 149 4,-0.1 3,-0.1 5,-0.1 -3,-0.0 0.351 60.7 126.9 -85.0 6.9 11.6 41.2 -10.2 104 106 A A S X> S- 0 0 44 -3,-1.0 3,-1.9 1,-0.1 4,-0.5 -0.292 78.0 -84.5 -60.2 143.4 15.2 41.1 -8.8 105 107 A P T 34 S- 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.325 110.4 -0.8 -57.4 127.8 17.5 43.7 -10.5 106 108 A G T 3> S+ 0 0 51 -3,-0.1 4,-1.8 1,-0.1 5,-0.1 0.419 99.2 113.1 74.6 2.8 19.0 42.2 -13.7 107 109 A L H <> S+ 0 0 8 -3,-1.9 4,-2.0 2,-0.2 -4,-0.1 0.926 77.6 44.0 -72.4 -45.4 17.3 38.8 -13.3 108 110 A E H X S+ 0 0 24 -4,-0.5 4,-2.6 -6,-0.3 -1,-0.2 0.880 114.5 51.7 -67.4 -35.1 14.9 39.0 -16.4 109 111 A Q H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.906 108.5 50.9 -65.7 -41.2 17.9 40.4 -18.5 110 112 A F H X S+ 0 0 46 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.882 110.2 50.5 -61.0 -41.2 20.0 37.5 -17.3 111 113 A L H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.946 112.5 45.9 -61.2 -50.6 17.1 35.1 -18.4 112 114 A R H X S+ 0 0 70 -4,-2.6 4,-2.8 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4,-1.8 2,-0.2 -2,-0.2 0.914 111.2 50.3 -63.9 -44.2 21.8 25.5 -31.4 123 125 A I H < S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 110.1 50.9 -60.7 -42.2 21.6 27.6 -34.6 124 126 A T H < S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.0 47.9 -61.4 -44.5 25.4 27.4 -35.1 125 127 A E H < S- 0 0 147 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.813 111.1-133.4 -67.7 -31.6 25.4 23.6 -34.6 126 128 A G < - 0 0 32 -4,-1.8 -2,-0.1 -5,-0.1 -1,-0.1 0.086 38.5 -18.8 91.3 155.8 22.5 23.2 -37.1 127 129 A A S S+ 0 0 57 -4,-0.1 266,-0.1 267,-0.1 2,-0.1 -0.367 98.6 60.2 -69.5 147.9 19.2 21.2 -37.0 128 130 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 265,-0.2 0.500 69.6 173.6 -78.0 148.7 18.2 18.8 -35.4 129 131 A A E -F 392 0B 8 263,-2.0 263,-2.8 -2,-0.1 2,-0.8 -0.900 32.0-128.7-118.9 150.7 18.4 20.5 -32.0 130 132 A D E > -F 391 0B 24 -2,-0.3 4,-2.1 261,-0.2 5,-0.2 -0.883 16.9-166.5-102.9 104.6 17.1 19.0 -28.7 131 133 A L T 4>S+ 0 0 0 259,-2.6 5,-3.4 -2,-0.8 4,-0.2 0.627 83.7 46.5 -65.0 -17.2 14.9 21.7 -27.0 132 134 A R T 4>S+ 0 0 11 3,-0.2 5,-2.7 4,-0.2 3,-0.5 0.933 121.2 31.0 -85.6 -63.7 14.8 19.9 -23.6 133 135 A N T 45S+ 0 0 56 1,-0.2 -2,-0.2 255,-0.2 256,-0.1 0.739 132.7 33.2 -66.4 -28.3 18.5 18.9 -23.0 134 136 A D T <5S+ 0 0 77 -4,-2.1 -1,-0.2 3,-0.1 -3,-0.2 0.308 135.0 11.3-115.5 6.8 20.0 21.9 -24.9 135 137 A F T >5S+ 0 0 0 -3,-0.5 4,-2.0 -4,-0.2 -3,-0.2 0.346 122.3 38.4-140.7 -75.5 17.4 24.7 -24.2 136 138 A A H > S+ 0 0 39 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.845 113.3 52.2 -59.9 -33.5 20.0 24.4 -19.1 139 141 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 111.5 45.5 -65.3 -45.5 17.8 27.6 -19.0 140 142 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.904 115.9 47.1 -61.7 -45.3 16.0 26.3 -15.8 141 143 A T H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.944 112.2 48.7 -61.9 -54.4 19.3 25.3 -14.2 142 144 A A H X S+ 0 0 8 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.891 111.9 50.4 -54.4 -43.2 21.0 28.7 -15.1 143 145 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.916 111.5 47.5 -59.9 -48.3 18.0 30.6 -13.6 144 146 A H H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 6,-0.2 0.842 108.8 52.8 -68.7 -31.7 18.1 28.6 -10.4 145 147 A C H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-1.4 0.906 114.0 44.8 -64.8 -42.0 21.9 29.0 -9.9 146 148 A K H <5S+ 0 0 96 -4,-1.8 3,-0.2 2,-0.2 -2,-0.2 0.940 114.2 47.6 -65.0 -51.6 21.4 32.8 -10.3 147 149 A V H <5S+ 0 0 8 -4,-2.8 53,-2.6 1,-0.2 -2,-0.2 0.887 116.6 44.9 -57.4 -42.9 18.3 32.9 -8.0 148 150 A L H <5S- 0 0 1 -4,-2.4 53,-2.2 51,-0.3 54,-0.5 0.726 107.7-127.2 -73.5 -24.3 20.2 30.8 -5.4 149 151 A G T <5 + 0 0 13 -4,-1.4 49,-0.3 1,-0.3 -3,-0.2 0.701 63.5 136.8 80.3 24.0 23.4 32.9 -5.7 150 152 A I < - 0 0 8 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.677 65.4 -82.0-100.2 154.5 25.5 29.7 -6.4 151 153 A P > - 0 0 45 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.270 31.2-131.6 -58.0 138.9 28.2 29.3 -9.1 152 154 A Q G > S+ 0 0 86 1,-0.2 3,-1.1 2,-0.2 -7,-0.1 0.815 106.6 63.7 -55.9 -33.0 26.8 28.5 -12.6 153 155 A E G 3 S+ 0 0 162 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.698 95.1 59.3 -67.6 -20.5 29.4 25.7 -12.8 154 156 A D G <> S+ 0 0 28 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.607 86.6 82.1 -83.2 -14.7 27.7 23.8 -9.9 155 157 A G H <> S+ 0 0 0 -3,-1.1 4,-2.6 -4,-0.4 5,-0.2 0.917 83.1 53.8 -58.1 -53.8 24.4 23.6 -11.7 156 158 A P H > S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.881 110.4 46.8 -55.3 -41.8 25.0 20.5 -14.0 157 159 A K H > S+ 0 0 71 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.923 113.8 46.9 -66.4 -43.0 26.0 18.3 -11.0 158 160 A L H >< S+ 0 0 5 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.879 110.5 55.3 -63.2 -37.5 23.0 19.4 -8.9 159 161 A F H >< S+ 0 0 49 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.857 95.7 66.5 -60.1 -41.9 20.8 18.8 -11.9 160 162 A R H 3< S+ 0 0 165 -4,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.722 91.5 61.2 -56.9 -25.0 22.0 15.2 -12.3 161 163 A S T XX S+ 0 0 2 -3,-0.9 4,-2.8 -4,-0.6 3,-1.3 0.734 89.5 78.4 -71.1 -21.3 20.3 14.2 -9.0 162 164 A L H <> S+ 0 0 8 -3,-1.8 4,-1.7 -4,-0.4 -1,-0.2 0.754 77.6 61.9 -64.8 -32.8 16.9 15.1 -10.5 163 165 A S H 34 S+ 0 0 52 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.659 121.4 29.2 -67.8 -15.1 16.1 12.1 -12.8 164 166 A I H X4 S+ 0 0 41 -3,-1.3 3,-1.9 -4,-0.2 -2,-0.2 0.759 113.8 59.7-105.9 -47.1 16.1 10.1 -9.5 165 167 A A H 3< S+ 0 0 26 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.818 111.5 43.0 -54.0 -35.0 15.0 12.7 -6.8 166 168 A F T 3< S+ 0 0 32 -4,-1.7 217,-3.1 -5,-0.2 -1,-0.3 0.086 83.8 131.2-103.4 21.8 11.7 13.2 -8.7 167 169 A M B < -H 382 0C 65 -3,-1.9 2,-0.7 215,-0.2 215,-0.3 -0.424 54.6-141.0 -68.2 151.1 10.9 9.5 -9.4 168 170 A S + 0 0 3 213,-2.5 2,-0.3 212,-0.1 -94,-0.1 -0.867 40.4 173.3-115.3 84.3 7.4 8.3 -8.6 169 171 A S - 0 0 30 -2,-0.7 -96,-2.8 -96,-0.4 -133,-0.1 -0.705 44.1-141.7-101.7 149.0 8.4 4.9 -7.3 170 172 A A S S+ 0 0 38 -2,-0.3 -1,-0.1 -98,-0.2 -100,-0.1 0.805 92.5 36.1 -74.8 -27.9 6.5 2.0 -5.6 171 173 A D S S- 0 0 113 -98,-0.1 -98,-0.2 1,-0.1 -2,-0.1 -0.843 100.9 -81.7-124.9 156.5 9.6 1.4 -3.3 172 174 A P - 0 0 107 0, 0.0 -97,-0.1 0, 0.0 -1,-0.1 -0.196 42.9-132.7 -52.7 150.9 12.3 3.5 -1.6 173 175 A I >> - 0 0 29 -99,-0.4 4,-1.1 1,-0.1 3,-0.8 -0.930 10.6-160.5-114.9 107.4 15.2 4.5 -3.9 174 176 A P H 3> S+ 0 0 107 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.875 94.1 55.1 -53.5 -41.6 18.8 3.9 -2.5 175 177 A A H 3> S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.825 100.0 61.1 -60.0 -36.0 20.3 6.4 -5.0 176 178 A A H <> S+ 0 0 4 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.900 105.9 46.1 -60.7 -40.1 17.9 9.2 -3.9 177 179 A K H X S+ 0 0 136 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.910 111.6 51.7 -66.2 -43.9 19.4 9.0 -0.3 178 180 A I H X S+ 0 0 114 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.942 116.3 40.5 -55.4 -53.9 23.0 9.0 -1.7 179 181 A N H X S+ 0 0 23 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.848 114.0 52.8 -63.2 -43.4 22.2 12.1 -3.8 180 182 A W H X S+ 0 0 34 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.954 111.3 45.7 -58.6 -53.0 20.2 13.9 -1.1 181 183 A D H X S+ 0 0 75 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.901 114.9 48.0 -60.2 -40.3 23.0 13.5 1.5 182 184 A R H X S+ 0 0 105 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.910 113.2 46.9 -66.6 -44.3 25.6 14.7 -1.0 183 185 A D H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.844 110.1 53.2 -68.5 -34.5 23.5 17.8 -2.1 184 186 A I H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.906 109.8 49.3 -63.4 -42.0 22.7 18.7 1.6 185 187 A E H X S+ 0 0 143 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.879 109.0 52.0 -64.9 -40.8 26.5 18.7 2.2 186 188 A Y H X S+ 0 0 40 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.946 112.6 45.1 -58.3 -51.3 27.0 20.9 -0.9 187 189 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.851 109.3 55.0 -64.2 -34.6 24.4 23.4 0.5 188 190 A A H X S+ 0 0 47 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.891 109.4 49.1 -63.3 -38.1 25.9 23.2 4.1 189 191 A G H X S+ 0 0 43 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.844 106.5 55.7 -66.8 -37.7 29.3 24.2 2.5 190 192 A I H >< S+ 0 0 5 -4,-1.7 3,-1.0 1,-0.2 6,-0.3 0.909 104.9 53.0 -61.6 -44.1 27.6 27.1 0.5 191 193 A L H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.4 43.1 -60.0 -35.6 26.3 28.6 3.9 192 194 A E H 3< S+ 0 0 115 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.450 92.2 104.4 -88.3 -4.9 29.8 28.5 5.3 193 195 A N X< - 0 0 48 -3,-1.0 3,-1.6 -4,-0.6 12,-0.1 -0.706 60.9-154.1 -82.8 117.8 31.4 29.9 2.0 194 196 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.671 90.1 65.3 -66.7 -15.9 32.3 33.6 2.3 195 197 A N T 3 S+ 0 0 133 1,-0.1 2,-1.0 2,-0.0 3,-0.1 0.603 81.4 86.1 -77.9 -16.4 31.9 34.2 -1.5 196 198 A I < + 0 0 13 -3,-1.6 -1,-0.1 -6,-0.3 9,-0.1 -0.775 43.4 132.4 -92.9 96.6 28.2 33.5 -1.4 197 199 A T + 0 0 82 -2,-1.0 2,-0.3 -48,-0.1 -1,-0.2 0.284 54.1 65.4-125.8 1.7 26.6 36.8 -0.5 198 200 A T S > S+ 0 0 87 -49,-0.3 4,-1.6 -3,-0.1 3,-0.2 -0.789 82.9 16.2-124.3 170.8 23.7 37.1 -3.1 199 201 A G H > S- 0 0 32 -2,-0.3 4,-2.1 2,-0.2 -51,-0.3 -0.076 110.8 -38.7 64.6-163.8 20.5 35.4 -4.0 200 202 A L H > S+ 0 0 1 -53,-2.6 4,-2.6 -101,-0.2 -1,-0.2 0.885 140.4 47.4 -62.7 -43.7 18.6 33.0 -1.7 201 203 A M H > S+ 0 0 0 -53,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.856 110.7 52.5 -70.0 -33.1 21.7 31.3 -0.3 202 204 A G H X S+ 0 0 1 -4,-1.6 4,-1.6 -54,-0.5 -2,-0.2 0.914 112.8 45.2 -66.1 -40.6 23.4 34.6 0.4 203 205 A E H X S+ 0 0 55 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 113.6 47.9 -69.4 -43.0 20.3 35.8 2.3 204 206 A L H X 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