==== 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 05-FEB-09 3G5F . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.BELIN,M.H.LE DU,M.GONDRY . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 67.5 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 . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.9 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 1 2 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 0.000 360.0 360.0 360.0 140.5 -13.2 -9.8 -13.6 2 4 A T - 0 0 140 3,-0.0 2,-0.1 0, 0.0 3,-0.1 -0.913 360.0-111.9-125.1 152.8 -11.0 -6.7 -13.8 3 5 A V - 0 0 110 -2,-0.3 3,-0.1 1,-0.1 30,-0.0 -0.422 49.6 -77.1 -77.4 160.0 -8.8 -5.1 -11.2 4 6 A L - 0 0 47 1,-0.1 29,-0.2 -2,-0.1 -1,-0.1 -0.275 66.2 -83.1 -51.3 137.5 -9.5 -1.7 -9.6 5 7 A L - 0 0 57 26,-0.3 28,-2.5 27,-0.1 2,-0.3 -0.194 51.5-140.8 -51.8 128.0 -8.6 1.2 -11.9 6 8 A E B -a 33 0A 111 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.670 17.4-108.9 -95.9 143.5 -4.9 2.0 -11.7 7 9 A V S S+ 0 0 14 26,-2.3 28,-0.2 -2,-0.3 2,-0.1 -0.935 85.1 44.3-116.8 153.5 -3.2 5.4 -11.7 8 10 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.563 65.9-158.3 -78.8 163.8 -1.5 7.1 -13.4 9 11 A F - 0 0 54 1,-0.3 2,-0.3 -2,-0.1 -3,-0.1 0.864 67.5 -9.3 -75.1 -43.7 -3.3 6.6 -16.7 10 12 A S - 0 0 38 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.945 44.9-144.2-159.4 139.2 -0.6 7.5 -19.2 11 13 A A + 0 0 29 -2,-0.3 2,-0.3 -3,-0.1 375,-0.1 0.505 68.1 116.1 -79.4 -7.0 2.9 9.0 -19.1 12 14 A R - 0 0 50 1,-0.1 3,-0.3 366,-0.1 -2,-0.1 -0.485 44.3-172.1 -67.3 128.7 2.2 10.9 -22.4 13 15 A G S S+ 0 0 6 -2,-0.3 263,-0.4 1,-0.2 -1,-0.1 0.261 72.7 70.9-104.2 12.2 2.3 14.6 -21.9 14 16 A D S S+ 0 0 40 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.371 103.8 28.1-107.2 -2.3 1.0 15.6 -25.4 15 17 A R S S- 0 0 143 -3,-0.3 -1,-0.2 261,-0.1 -3,-0.0 -0.974 72.4-125.8-156.2 144.3 -2.6 14.4 -25.1 16 18 A I - 0 0 47 -2,-0.3 -3,-0.1 -3,-0.1 2,-0.1 -0.799 38.1-112.1 -88.8 134.2 -5.1 14.0 -22.3 17 19 A P >> - 0 0 34 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.392 15.3-128.4 -63.1 140.6 -6.7 10.5 -22.1 18 20 A D H 3> S+ 0 0 130 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.781 105.5 74.0 -55.5 -28.6 -10.4 10.3 -23.0 19 21 A A H 3> S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.788 84.7 63.7 -55.8 -33.1 -10.8 8.5 -19.7 20 22 A V H <> S+ 0 0 1 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.959 105.6 42.2 -61.2 -48.9 -10.3 11.7 -17.7 21 23 A A H X S+ 0 0 47 -4,-0.6 4,-2.2 -3,-0.3 -1,-0.2 0.861 113.5 54.9 -66.0 -34.7 -13.5 13.3 -19.1 22 24 A E H X S+ 0 0 101 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.943 111.7 42.5 -60.3 -50.9 -15.3 10.0 -18.7 23 25 A L H X S+ 0 0 17 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.911 112.8 53.6 -61.2 -45.8 -14.4 9.8 -14.9 24 26 A R H < S+ 0 0 21 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.914 114.2 41.1 -60.5 -41.0 -15.1 13.4 -14.4 25 27 A T H < S+ 0 0 118 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.912 127.6 29.9 -70.6 -41.9 -18.6 13.1 -15.9 26 28 A R H < S+ 0 0 199 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.840 139.1 2.3 -92.1 -37.5 -19.5 9.8 -14.3 27 29 A E < - 0 0 84 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 -0.568 58.0-178.4-157.5 74.8 -17.6 9.6 -11.0 28 30 A P S S+ 0 0 35 0, 0.0 16,-2.7 0, 0.0 17,-0.6 0.580 85.6 38.0 -69.1 -8.0 -15.6 12.8 -10.2 29 31 A I E S+ B 0 43A 5 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.945 84.4 151.7-131.9 121.0 -14.3 11.2 -7.0 30 32 A R E - B 0 42A 51 12,-1.9 12,-3.2 -2,-0.4 2,-0.2 -0.984 45.8 -95.6-149.1 157.3 -13.6 7.5 -7.4 31 33 A K E + B 0 41A 43 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.518 44.1 168.2 -78.5 139.3 -11.4 4.8 -5.9 32 34 A V E - B 0 40A 0 8,-2.6 8,-2.2 -2,-0.2 2,-0.5 -0.886 32.0-118.7-139.1 168.0 -8.2 3.9 -7.7 33 35 A R E -aB 6 39A 75 -28,-2.5 -26,-2.3 -2,-0.3 6,-0.2 -0.955 26.2-146.0-112.8 131.5 -5.1 1.8 -6.9 34 36 A T > - 0 0 6 4,-3.0 3,-2.1 -2,-0.5 38,-0.1 -0.350 34.8 -93.7 -88.6 174.7 -1.7 3.5 -6.9 35 37 A I T 3 S+ 0 0 58 36,-0.6 135,-0.1 1,-0.3 37,-0.1 0.711 124.6 57.7 -63.1 -18.8 1.7 2.0 -7.9 36 38 A T T 3 S- 0 0 50 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.594 120.1-107.1 -82.8 -8.9 2.4 0.9 -4.3 37 39 A G S < S+ 0 0 37 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.303 77.2 134.6 95.7 -8.7 -0.8 -1.1 -4.2 38 40 A A - 0 0 17 32,-0.5 -4,-3.0 -5,-0.1 -1,-0.3 -0.388 55.1-122.5 -67.8 150.9 -2.6 1.4 -1.9 39 41 A E E +B 33 0A 95 -6,-0.2 263,-0.5 -3,-0.1 2,-0.3 -0.672 36.6 171.5 -87.8 152.1 -6.2 2.5 -2.6 40 42 A A E -B 32 0A 1 -8,-2.2 -8,-2.6 -2,-0.3 2,-0.6 -0.974 36.4-109.0-152.1 161.8 -6.9 6.2 -3.0 41 43 A W E -Bc 31 303A 35 261,-2.7 263,-3.4 -2,-0.3 2,-0.6 -0.895 28.8-152.6 -96.9 120.2 -9.6 8.6 -4.0 42 44 A L E -Bc 30 304A 3 -12,-3.2 -12,-1.9 -2,-0.6 2,-0.5 -0.829 8.8-161.4 -94.7 120.4 -9.0 10.2 -7.4 43 45 A V E +Bc 29 305A 0 261,-2.9 263,-2.6 -2,-0.6 -14,-0.2 -0.913 18.8 164.7-107.6 126.2 -10.7 13.6 -7.7 44 46 A S + 0 0 0 -16,-2.7 2,-0.3 -2,-0.5 -20,-0.1 0.372 40.6 87.1-131.0 3.9 -11.1 15.0 -11.2 45 47 A S S > S- 0 0 13 -17,-0.6 4,-2.9 1,-0.1 265,-0.3 -0.816 73.5-124.5-102.7 154.5 -13.6 17.9 -11.3 46 48 A Y H > S+ 0 0 21 263,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.922 110.1 51.5 -57.2 -47.8 -12.7 21.5 -10.8 47 49 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 116.0 39.0 -60.0 -46.0 -15.3 21.9 -8.0 48 50 A L H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 112.9 55.4 -77.6 -32.8 -14.1 18.9 -6.0 49 51 A C H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.934 111.0 45.4 -61.5 -45.1 -10.3 19.5 -6.7 50 52 A T H X S+ 0 0 17 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.909 109.7 55.5 -65.3 -39.0 -10.6 23.0 -5.2 51 53 A Q H < S+ 0 0 65 -4,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.942 111.4 43.7 -57.5 -48.9 -12.6 21.7 -2.3 52 54 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 6,-0.3 0.953 114.4 48.6 -64.7 -45.5 -9.9 19.3 -1.3 53 55 A L H 3< S+ 0 0 6 -4,-2.5 287,-0.5 1,-0.3 288,-0.3 0.769 111.7 50.3 -67.3 -24.2 -7.0 21.7 -1.9 54 56 A E T 3< S+ 0 0 114 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.433 96.6 77.2 -93.0 0.3 -8.7 24.4 0.2 55 57 A D X - 0 0 32 -3,-1.3 3,-2.3 -4,-0.5 -1,-0.1 -0.918 62.9-163.0-115.3 106.0 -9.4 22.2 3.2 56 58 A R T 3 S+ 0 0 164 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.652 83.1 80.4 -66.6 -13.3 -6.3 21.6 5.3 57 59 A R T 3 S+ 0 0 117 1,-0.2 230,-2.4 2,-0.1 2,-1.1 0.731 81.2 71.6 -64.6 -18.0 -7.9 18.6 7.0 58 60 A F E < S-D 286 0A 3 -3,-2.3 2,-0.4 -6,-0.3 228,-0.2 -0.869 95.6-155.8 -88.6 98.5 -6.8 17.0 3.7 59 61 A S E -D 285 0A 18 226,-2.8 226,-2.5 -2,-1.1 4,-0.3 -0.666 37.1-169.9 -95.0 131.5 -3.2 17.2 4.9 60 62 A M S > S+ 0 0 49 -2,-0.4 3,-1.6 224,-0.2 4,-0.4 0.929 94.1 55.1 -69.7 -49.4 0.1 17.3 2.9 61 63 A K G > S+ 0 0 111 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.892 102.8 55.0 -52.1 -43.8 2.1 16.8 6.0 62 64 A E G > S+ 0 0 73 1,-0.3 3,-1.8 223,-0.2 -1,-0.3 0.618 84.9 80.8 -74.4 -12.6 0.3 13.6 7.1 63 65 A T G < S+ 0 0 11 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.763 89.6 58.9 -59.3 -20.6 1.0 11.9 3.7 64 66 A A G < S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.455 78.4 124.4 -87.1 -2.3 4.4 11.1 5.3 65 67 A A S X S- 0 0 36 -3,-1.8 3,-1.8 1,-0.1 -3,-0.0 -0.321 72.2-104.5 -62.5 138.8 3.0 9.3 8.3 66 68 A A T 3 S+ 0 0 108 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.352 105.9 19.3 -58.5 135.4 4.3 5.7 8.8 67 69 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.435 90.9 136.6 85.8 -3.7 1.7 3.2 7.7 68 70 A A < - 0 0 16 -3,-1.8 -1,-0.3 -5,-0.1 2,-0.2 -0.432 68.2 -97.3 -71.2 150.2 -0.3 5.6 5.6 69 71 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.553 52.3-146.2 -61.9 134.9 -1.6 4.5 2.2 70 72 A R - 0 0 56 -2,-0.2 -32,-0.5 1,-0.1 -34,-0.5 -0.883 30.3-157.8-117.7 138.9 1.0 5.9 -0.3 71 73 A L S S- 0 0 15 -2,-0.4 -36,-0.6 1,-0.3 -35,-0.4 0.893 87.3 -25.8 -66.2 -46.0 0.9 7.3 -3.8 72 74 A N S S- 0 0 18 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.923 84.4 -70.5-159.7 172.6 4.7 6.5 -4.1 73 75 A A - 0 0 9 96,-2.9 96,-0.4 -2,-0.3 98,-0.1 -0.511 52.5-103.9 -75.9 145.6 7.7 6.0 -1.9 74 76 A L - 0 0 54 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.411 27.7-173.8 -60.4 140.0 9.4 9.0 -0.2 75 77 A T S S+ 0 0 24 97,-0.1 -1,-0.1 2,-0.1 105,-0.1 0.273 73.1 49.3-116.0 9.8 12.6 10.2 -1.8 76 78 A V S S- 0 0 40 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.906 106.2 -77.3-131.7 164.0 13.3 12.7 1.0 77 79 A P >> - 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.305 49.0-113.7 -58.0 145.9 13.3 12.3 4.8 78 80 A P G >4 S+ 0 0 69 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.817 115.3 59.6 -57.2 -31.5 9.7 12.2 6.1 79 81 A E G >4 S+ 0 0 121 1,-0.2 3,-1.0 2,-0.2 7,-0.2 0.796 95.4 65.4 -65.8 -24.7 10.1 15.5 8.0 80 82 A V G X4 S+ 0 0 12 -3,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.687 81.8 75.6 -75.6 -14.6 10.9 17.2 4.6 81 83 A V G << S+ 0 0 30 -3,-1.2 3,-0.3 -4,-0.5 -1,-0.2 0.893 96.9 49.7 -58.7 -35.2 7.4 16.5 3.3 82 84 A N G <> S+ 0 0 24 -3,-1.0 4,-2.5 -4,-0.4 -1,-0.3 -0.030 76.3 136.5 -92.0 31.4 6.3 19.4 5.6 83 85 A N H <> + 0 0 21 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.880 69.8 45.8 -48.5 -52.8 9.1 21.6 4.1 84 86 A M H > S+ 0 0 45 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.922 112.3 51.8 -62.8 -42.2 7.0 24.8 3.7 85 87 A G H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 110.5 48.9 -55.0 -43.6 5.5 24.3 7.2 86 88 A N H X S+ 0 0 46 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.910 110.7 50.4 -65.1 -43.0 9.0 24.0 8.6 87 89 A I H <>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 6,-0.5 0.937 113.2 45.8 -58.1 -47.8 10.1 27.1 6.7 88 90 A A H ><5S+ 0 0 44 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.916 111.0 51.7 -64.5 -41.6 7.2 29.1 8.1 89 91 A D H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 106.9 54.9 -65.0 -28.6 7.7 27.8 11.6 90 92 A A T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.474 117.3-116.3 -82.3 -3.4 11.3 28.9 11.4 91 93 A G T < 5S+ 0 0 45 -3,-1.7 4,-0.2 -4,-0.2 -3,-0.2 0.706 86.1 114.3 74.7 24.2 10.1 32.5 10.5 92 94 A L >< + 0 0 0 -5,-2.5 4,-2.6 -6,-0.2 5,-0.2 0.423 37.0 97.7-105.6 -1.2 11.7 32.2 7.0 93 95 A R H > S+ 0 0 132 -6,-0.5 4,-2.9 1,-0.2 5,-0.2 0.928 84.8 46.7 -60.1 -48.4 8.7 32.2 4.7 94 96 A K H > S+ 0 0 181 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 115.5 46.4 -61.4 -43.3 8.8 35.9 3.8 95 97 A A H > S+ 0 0 23 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 113.4 47.8 -65.2 -42.3 12.5 35.8 3.1 96 98 A V H X S+ 0 0 2 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.948 113.8 48.0 -67.4 -43.7 12.4 32.7 1.0 97 99 A M H >< S+ 0 0 61 -4,-2.9 3,-0.9 -5,-0.2 -2,-0.2 0.921 111.0 50.3 -58.0 -50.1 9.4 34.0 -1.0 98 100 A K H >< S+ 0 0 165 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.841 107.1 55.0 -60.6 -35.6 11.1 37.3 -1.6 99 101 A A H 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.2 101,-0.2 0.740 107.1 50.3 -72.8 -19.6 14.3 35.7 -2.8 100 102 A I T << S+ 0 0 9 -3,-0.9 248,-0.4 -4,-0.9 -1,-0.2 0.187 81.1 109.2-110.7 17.1 12.5 33.6 -5.5 101 103 A T S X S- 0 0 54 -3,-0.9 3,-0.6 -4,-0.1 244,-0.0 -0.529 75.5-123.2 -78.5 156.8 10.5 36.2 -7.3 102 104 A P T 3 S+ 0 0 11 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.356 92.3 90.7 -80.2 11.7 11.6 37.2 -10.8 103 105 A K T 3 + 0 0 155 -5,-0.2 3,-0.1 4,-0.1 -4,-0.1 0.495 46.8 119.6 -94.4 -4.6 12.0 40.8 -9.7 104 106 A A S X S- 0 0 56 -3,-0.6 3,-1.9 1,-0.1 4,-0.5 -0.309 80.8 -90.3 -56.0 138.6 15.6 41.0 -8.5 105 107 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.326 110.7 9.4 -53.4 129.6 17.5 43.6 -10.6 106 108 A G T 3> S+ 0 0 48 -3,-0.1 4,-2.3 1,-0.0 5,-0.1 0.253 96.1 110.0 87.8 -11.5 19.1 41.9 -13.7 107 109 A L H <> S+ 0 0 8 -3,-1.9 4,-2.4 2,-0.2 5,-0.1 0.953 80.4 42.8 -64.9 -52.3 17.4 38.6 -13.2 108 110 A E H > S+ 0 0 28 -4,-0.5 4,-2.7 -6,-0.4 -1,-0.2 0.899 114.8 51.2 -62.1 -39.4 15.1 38.8 -16.3 109 111 A Q H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 109.1 51.8 -61.8 -38.0 18.0 40.2 -18.4 110 112 A F H X S+ 0 0 42 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 109.4 50.0 -63.1 -42.8 20.0 37.2 -17.2 111 113 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.923 113.0 46.2 -60.6 -46.7 17.2 34.9 -18.3 112 114 A R H X S+ 0 0 74 -4,-2.7 4,-2.9 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4,-1.8 2,-0.2 -1,-0.2 0.906 110.5 50.3 -66.1 -41.7 21.8 25.4 -31.3 123 125 A I H < S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 110.5 50.0 -62.7 -42.3 21.6 27.5 -34.4 124 126 A T H < S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.7 49.1 -61.6 -40.9 25.4 27.2 -34.9 125 127 A E H < S- 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.824 110.8-133.9 -71.5 -29.3 25.4 23.5 -34.4 126 128 A G < - 0 0 31 -4,-1.8 -2,-0.1 -5,-0.1 -1,-0.1 0.168 38.8 -17.5 89.8 150.5 22.5 23.1 -36.9 127 129 A A S S+ 0 0 54 -4,-0.1 266,-0.1 267,-0.1 2,-0.1 -0.288 97.7 59.6 -65.5 150.6 19.3 21.2 -36.9 128 130 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 265,-0.2 0.522 68.5 177.0 -78.9 151.7 18.1 18.9 -35.3 129 131 A A E -F 392 0B 8 263,-2.1 263,-2.8 -2,-0.1 2,-0.8 -0.921 29.8-131.1-117.3 147.7 18.3 20.4 -31.8 130 132 A D E > -F 391 0B 24 -2,-0.3 4,-2.1 261,-0.2 5,-0.1 -0.859 17.7-168.2 -99.5 104.4 17.0 18.9 -28.6 131 133 A L T 4>S+ 0 0 0 259,-2.7 5,-3.1 -2,-0.8 6,-0.2 0.591 81.9 49.0 -74.3 -11.1 14.9 21.6 -26.9 132 134 A R T >4>S+ 0 0 11 3,-0.2 5,-2.4 4,-0.2 3,-0.6 0.906 120.7 28.5 -84.9 -62.3 14.8 19.7 -23.6 133 135 A N T 345S+ 0 0 54 1,-0.2 -2,-0.2 4,-0.1 256,-0.1 0.785 132.7 35.2 -72.7 -24.1 18.3 18.7 -22.9 134 136 A D T 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 3,-0.1 -3,-0.2 0.302 133.8 11.4-116.0 9.4 19.9 21.7 -24.8 135 137 A F T <>5S+ 0 0 0 -3,-0.6 4,-2.4 -5,-0.1 5,-0.2 0.369 122.0 38.6-141.5 -72.5 17.4 24.5 -24.1 136 138 A A H > S+ 0 0 40 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.887 112.1 52.2 -59.7 -35.2 19.8 24.2 -19.0 139 141 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 111.9 45.8 -64.7 -43.2 17.7 27.4 -18.9 140 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.906 114.3 48.9 -61.1 -43.9 16.0 26.2 -15.8 141 143 A T H X S+ 0 0 14 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.932 112.5 46.2 -64.4 -48.6 19.3 25.1 -14.3 142 144 A A H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 111.7 52.8 -60.9 -44.1 21.0 28.4 -15.0 143 145 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.925 110.4 47.2 -57.0 -46.0 18.1 30.4 -13.6 144 146 A H H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 6,-0.3 0.849 108.3 53.1 -75.4 -28.0 18.1 28.5 -10.4 145 147 A C H X>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 4,-1.5 0.937 113.1 46.3 -63.3 -43.5 21.8 28.8 -9.8 146 148 A K H <5S+ 0 0 101 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.948 113.2 47.9 -62.1 -49.8 21.3 32.6 -10.3 147 149 A V H <5S+ 0 0 8 -4,-2.9 53,-2.7 1,-0.2 -1,-0.2 0.888 116.2 44.6 -58.5 -41.1 18.3 32.7 -8.0 148 150 A L H <5S- 0 0 1 -4,-2.4 53,-2.3 51,-0.3 54,-0.5 0.715 108.1-124.6 -76.8 -20.4 20.1 30.6 -5.3 149 151 A G T <5 + 0 0 13 -4,-1.5 49,-0.3 -3,-0.4 -3,-0.2 0.673 65.1 133.9 83.0 18.6 23.4 32.6 -5.6 150 152 A I < - 0 0 9 -5,-1.9 -1,-0.3 -6,-0.3 -2,-0.1 -0.674 65.6 -81.2-103.6 158.0 25.4 29.6 -6.3 151 153 A P > - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.265 30.3-132.8 -59.0 138.2 28.1 29.1 -9.1 152 154 A Q G > S+ 0 0 82 1,-0.3 3,-1.6 2,-0.2 -7,-0.1 0.859 105.4 63.2 -54.3 -37.4 26.8 28.3 -12.5 153 155 A E G 3 S+ 0 0 165 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.663 96.6 58.4 -68.4 -13.0 29.3 25.5 -12.8 154 156 A D G <> S+ 0 0 30 -3,-1.7 4,-1.5 1,-0.1 -1,-0.3 0.586 87.0 82.8 -87.1 -11.7 27.7 23.7 -9.9 155 157 A G H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.4 5,-0.2 0.925 80.9 56.1 -60.5 -52.6 24.3 23.5 -11.7 156 158 A P H > S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.888 109.1 44.9 -55.4 -43.8 24.8 20.4 -13.9 157 159 A K H > S+ 0 0 69 -4,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.935 113.5 50.0 -65.2 -45.1 25.7 18.0 -11.1 158 160 A L H >< S+ 0 0 3 -4,-1.5 3,-1.2 1,-0.2 4,-0.3 0.924 110.9 53.2 -56.5 -42.7 22.9 19.2 -8.9 159 161 A F H >< S+ 0 0 48 -4,-3.0 3,-1.9 1,-0.2 4,-0.4 0.858 97.9 62.6 -57.1 -40.3 20.6 18.8 -11.9 160 162 A R H 3< S+ 0 0 170 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.622 91.6 65.9 -71.3 -12.2 21.7 15.2 -12.5 161 163 A S T XX S+ 0 0 2 -3,-1.2 4,-2.8 -4,-0.6 3,-1.3 0.728 88.8 74.8 -65.0 -22.4 20.2 14.2 -9.1 162 164 A L H <> S+ 0 0 7 -3,-1.9 4,-2.0 -4,-0.3 -2,-0.2 0.780 77.3 64.6 -75.2 -29.1 16.8 15.0 -10.5 163 165 A S H 34 S+ 0 0 52 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.682 120.7 28.5 -66.0 -15.1 16.1 12.1 -12.8 164 166 A I H X4 S+ 0 0 40 -3,-1.3 3,-1.9 -4,-0.2 -2,-0.2 0.721 114.6 59.7-107.1 -42.3 16.1 10.0 -9.6 165 167 A A H 3< S+ 0 0 27 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.830 109.5 45.0 -60.9 -33.5 15.0 12.5 -6.9 166 168 A F T 3< S+ 0 0 33 -4,-2.0 217,-3.0 -5,-0.2 -1,-0.3 0.179 84.2 131.8-101.2 20.2 11.7 13.1 -8.7 167 169 A M B < -H 382 0C 64 -3,-1.9 2,-0.6 215,-0.2 215,-0.3 -0.313 53.1-143.2 -61.7 150.9 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 -0.879 39.7 169.4-117.9 88.6 7.4 8.2 -8.6 169 171 A S - 0 0 28 -2,-0.6 -96,-2.9 -96,-0.4 -133,-0.1 -0.734 46.9-138.1-111.6 149.5 8.4 4.7 -7.4 170 172 A A S S+ 0 0 37 -2,-0.3 -1,-0.1 -98,-0.2 -100,-0.1 0.781 93.2 36.5 -70.1 -26.7 6.6 1.9 -5.6 171 173 A D S S- 0 0 109 -98,-0.1 -98,-0.2 1,-0.1 -2,-0.1 -0.865 99.8 -81.3-129.3 156.0 9.6 1.4 -3.4 172 174 A P - 0 0 103 0, 0.0 -97,-0.1 0, 0.0 -1,-0.1 -0.196 43.2-133.5 -55.0 152.6 12.4 3.4 -1.7 173 175 A I >> - 0 0 28 -99,-0.4 4,-1.2 1,-0.2 3,-1.0 -0.912 10.1-159.9-119.5 107.1 15.2 4.4 -4.0 174 176 A P H 3> S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.894 93.0 55.1 -56.6 -41.0 18.8 3.9 -2.7 175 177 A A H 3> S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.824 100.1 62.2 -60.2 -30.3 20.3 6.3 -5.2 176 178 A A H <> S+ 0 0 5 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.904 105.2 45.8 -64.0 -38.7 17.9 9.1 -4.0 177 179 A K H X S+ 0 0 137 -4,-1.2 4,-2.7 -3,-0.5 5,-0.3 0.910 111.1 52.4 -69.2 -41.2 19.4 8.9 -0.5 178 180 A I H X S+ 0 0 114 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.957 116.0 40.2 -58.3 -49.3 23.0 8.9 -1.9 179 181 A N H X S+ 0 0 26 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.891 113.8 53.4 -69.5 -38.4 22.3 12.0 -3.9 180 182 A W H X S+ 0 0 32 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.955 110.3 47.1 -59.1 -49.1 20.2 13.7 -1.2 181 183 A D H X S+ 0 0 73 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.905 114.8 46.6 -63.2 -39.7 23.0 13.3 1.4 182 184 A R H X S+ 0 0 98 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.903 112.9 48.8 -67.7 -40.6 25.6 14.6 -1.1 183 185 A D H X S+ 0 0 10 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.888 110.1 51.6 -70.4 -36.1 23.4 17.6 -2.1 184 186 A I H X S+ 0 0 36 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.924 109.3 50.5 -62.3 -44.8 22.7 18.5 1.5 185 187 A E H X S+ 0 0 148 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.907 109.9 51.2 -59.1 -42.5 26.5 18.4 2.2 186 188 A Y H X S+ 0 0 39 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.954 111.8 45.6 -59.7 -48.3 27.0 20.7 -0.8 187 189 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.871 109.8 54.6 -68.1 -33.5 24.4 23.2 0.4 188 190 A A H X S+ 0 0 44 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.914 108.8 49.5 -62.6 -40.4 25.8 23.1 4.0 189 191 A G H X S+ 0 0 41 -4,-2.2 4,-0.5 -5,-0.2 3,-0.4 0.879 107.0 55.3 -64.3 -37.8 29.2 24.0 2.4 190 192 A I H >< S+ 0 0 5 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.915 103.5 54.4 -61.3 -40.3 27.5 26.9 0.5 191 193 A L H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 113.0 43.3 -65.2 -26.7 26.1 28.3 3.8 192 194 A E H 3< S+ 0 0 119 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.447 90.5 104.7 -94.4 -2.3 29.7 28.3 5.1 193 195 A N X< - 0 0 48 -3,-1.2 3,-2.0 -4,-0.5 12,-0.0 -0.720 61.0-153.6 -89.1 114.9 31.2 29.7 1.9 194 196 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.686 90.7 64.9 -64.8 -18.0 32.1 33.4 2.4 195 197 A N T 3 S+ 0 0 130 1,-0.1 2,-1.2 2,-0.1 3,-0.2 0.631 80.6 88.5 -74.9 -15.4 31.8 34.0 -1.4 196 198 A I < + 0 0 12 -3,-2.0 -1,-0.1 -6,-0.3 9,-0.1 -0.720 43.0 131.7 -95.1 97.1 28.0 33.2 -1.3 197 199 A T + 0 0 81 -2,-1.2 2,-0.2 -48,-0.2 -1,-0.2 0.376 52.3 65.8-127.1 -2.5 26.4 36.5 -0.6 198 200 A T S > S+ 0 0 88 -49,-0.3 4,-1.9 -3,-0.2 3,-0.2 -0.737 82.6 15.0-120.6 171.2 23.6 36.9 -3.1 199 201 A G H > S- 0 0 32 -2,-0.2 4,-2.3 2,-0.2 -51,-0.3 -0.047 110.3 -37.6 66.1-166.0 20.4 35.1 -3.9 200 202 A L H > S+ 0 0 1 -53,-2.7 4,-2.8 -101,-0.2 5,-0.2 0.905 140.5 47.2 -61.0 -45.4 18.5 32.7 -1.7 201 203 A M H > S+ 0 0 0 -53,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.873 110.1 52.8 -70.2 -33.4 21.6 31.0 -0.3 202 204 A G H X S+ 0 0 1 -4,-1.9 4,-1.6 -54,-0.5 -1,-0.2 0.918 112.8 45.8 -62.6 -42.2 23.3 34.4 0.4 203 205 A E H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.934 112.8 47.8 -67.6 -45.7 20.2 35.5 2.3 204 206 A L H X 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