==== 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 25-APR-08 3CY1 . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.LEYS . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 67.0 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 . 17 4.3 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 . 147 37.3 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 3 1 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 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.4 13.0 -9.5 13.2 2 4 A T - 0 0 141 1,-0.0 2,-0.2 3,-0.0 3,-0.1 -0.695 360.0-113.4 -99.5 166.6 11.2 -6.3 14.0 3 5 A V - 0 0 108 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.550 43.7 -77.8 -92.9 164.8 8.8 -4.8 11.4 4 6 A L - 0 0 43 -2,-0.2 29,-0.2 1,-0.1 -1,-0.1 -0.458 66.9 -86.7 -57.4 135.3 9.3 -1.5 9.6 5 7 A L - 0 0 63 26,-0.3 28,-2.3 -2,-0.1 2,-0.3 -0.149 50.2-139.0 -49.1 128.4 8.4 1.4 11.9 6 8 A E B -a 33 0A 125 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.646 17.8-109.3 -96.1 144.9 4.7 2.1 11.7 7 9 A V S S+ 0 0 15 26,-2.3 28,-0.2 -2,-0.3 2,-0.1 -0.932 85.8 44.1-118.4 154.7 3.0 5.5 11.6 8 10 A P - 0 0 62 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.527 67.5-157.2 -76.4 163.1 1.4 7.2 13.3 9 11 A F - 0 0 56 1,-0.3 2,-0.3 -2,-0.1 -3,-0.1 0.878 68.8 -8.0 -73.8 -44.6 3.3 6.8 16.5 10 12 A S - 0 0 42 269,-0.2 -1,-0.3 2,-0.1 375,-0.0 -0.958 45.1-147.4-155.3 141.0 0.6 7.7 19.1 11 13 A A + 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 375,-0.2 0.394 67.2 116.8 -86.2 -1.0 -2.9 9.1 18.9 12 14 A R - 0 0 60 1,-0.1 3,-0.2 366,-0.1 -2,-0.1 -0.571 45.0-171.8 -72.1 129.7 -2.3 10.8 22.3 13 15 A G S S+ 0 0 8 -2,-0.3 263,-0.5 1,-0.2 -1,-0.1 0.365 70.1 71.5-105.8 3.5 -2.5 14.6 21.7 14 16 A D S S+ 0 0 46 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.501 104.3 23.3 -98.5 -10.3 -1.3 15.8 25.1 15 17 A R S S- 0 0 90 -3,-0.2 -1,-0.2 261,-0.1 -3,-0.0 -0.988 73.6-120.7-155.7 147.5 2.3 14.9 24.8 16 18 A I - 0 0 42 -2,-0.3 -3,-0.1 -3,-0.1 5,-0.0 -0.760 39.5-108.3 -89.8 134.8 4.9 14.3 22.1 17 19 A P >> - 0 0 32 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.355 17.8-128.7 -60.5 140.6 6.6 10.8 22.1 18 20 A D H 3> S+ 0 0 148 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.800 106.1 73.0 -57.7 -29.7 10.2 10.8 23.2 19 21 A A H 3> S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.777 82.4 65.5 -50.2 -39.2 10.7 8.9 19.9 20 22 A V H <> S+ 0 0 0 -3,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.946 104.6 43.7 -58.1 -47.7 10.2 11.9 17.7 21 23 A A H X S+ 0 0 45 -4,-0.6 4,-2.0 -3,-0.5 -1,-0.2 0.859 113.2 52.3 -66.9 -32.5 13.3 13.7 19.1 22 24 A E H X S+ 0 0 80 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.940 113.2 44.7 -68.3 -42.9 15.3 10.4 18.8 23 25 A L H X S+ 0 0 18 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.900 110.7 52.8 -65.2 -45.5 14.2 10.1 15.2 24 26 A R H < S+ 0 0 20 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.902 115.3 42.7 -59.7 -38.4 14.9 13.7 14.4 25 27 A T H < S+ 0 0 123 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.917 125.1 31.7 -71.9 -45.9 18.4 13.3 15.7 26 28 A R H < S+ 0 0 78 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.871 139.2 1.2 -83.9 -41.6 19.2 9.9 14.2 27 29 A E < - 0 0 82 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 -0.567 56.3-178.7-156.9 74.9 17.2 9.9 10.9 28 30 A P S S+ 0 0 35 0, 0.0 16,-2.3 0, 0.0 17,-0.6 0.545 86.7 39.2 -66.2 -8.5 15.3 13.0 10.1 29 31 A I E S+ B 0 43A 7 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.931 84.0 152.9-133.9 123.1 14.1 11.3 7.0 30 32 A R E - B 0 42A 57 12,-1.9 12,-3.5 -2,-0.3 2,-0.2 -0.992 44.9 -96.9-150.6 157.1 13.3 7.7 7.3 31 33 A K E + B 0 41A 30 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.460 43.6 168.7 -76.8 139.0 11.2 4.9 5.9 32 34 A V E - B 0 40A 0 8,-2.6 8,-2.0 -2,-0.2 2,-0.5 -0.903 31.7-121.7-140.4 162.5 7.9 4.0 7.7 33 35 A R E -aB 6 39A 84 -28,-2.3 -26,-2.3 -2,-0.3 6,-0.2 -0.965 26.8-145.9-108.4 134.0 4.9 1.9 6.9 34 36 A T > - 0 0 6 4,-2.7 3,-2.0 -2,-0.5 38,-0.1 -0.336 35.0 -93.1 -88.9 175.1 1.5 3.5 6.9 35 37 A I T 3 S+ 0 0 57 36,-0.6 135,-0.1 1,-0.3 37,-0.1 0.677 125.2 58.0 -64.7 -19.0 -1.8 2.0 8.0 36 38 A T T 3 S- 0 0 52 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.565 119.8-107.2 -81.5 -9.4 -2.5 0.9 4.3 37 39 A G S < S+ 0 0 38 -3,-2.0 -2,-0.1 1,-0.3 34,-0.1 0.278 77.4 136.4 90.4 -8.0 0.8 -1.1 4.3 38 40 A A - 0 0 17 32,-0.5 -4,-2.7 -5,-0.1 -1,-0.3 -0.344 54.8-123.0 -67.0 150.6 2.4 1.4 2.0 39 41 A E E +B 33 0A 102 -6,-0.2 263,-0.4 -3,-0.1 2,-0.3 -0.654 37.3 169.5 -87.4 150.5 6.0 2.6 2.6 40 42 A A E -B 32 0A 2 -8,-2.0 -8,-2.6 -2,-0.2 2,-0.6 -0.972 36.8-110.0-152.1 164.1 6.6 6.3 3.0 41 43 A W E -Bc 31 303A 39 261,-2.6 263,-3.2 -2,-0.3 2,-0.6 -0.904 27.6-152.0-101.7 122.7 9.4 8.7 4.0 42 44 A L E -Bc 30 304A 2 -12,-3.5 -12,-1.9 -2,-0.6 2,-0.5 -0.864 9.7-162.2 -97.0 120.4 8.7 10.4 7.4 43 45 A V E +Bc 29 305A 0 261,-2.9 263,-2.5 -2,-0.6 -14,-0.2 -0.904 19.0 163.9-108.0 127.5 10.4 13.8 7.6 44 46 A S + 0 0 0 -16,-2.3 2,-0.3 -2,-0.5 -20,-0.1 0.355 39.2 91.5-135.4 6.4 10.8 15.2 11.1 45 47 A S S > S- 0 0 12 -17,-0.6 4,-3.0 1,-0.1 265,-0.3 -0.810 72.6-125.9-102.9 151.5 13.3 18.1 11.1 46 48 A Y H > S+ 0 0 23 263,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.939 110.8 51.0 -55.6 -46.2 12.4 21.7 10.7 47 49 A A H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 115.9 38.5 -59.6 -47.7 14.9 22.0 7.9 48 50 A L H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.872 113.1 55.8 -77.4 -35.9 13.7 19.0 5.9 49 51 A C H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.936 111.2 45.1 -57.7 -47.5 10.0 19.6 6.6 50 52 A T H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.914 109.5 56.1 -62.6 -41.8 10.4 23.1 5.2 51 53 A Q H < S+ 0 0 68 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.941 112.0 42.8 -55.1 -46.8 12.3 21.8 2.2 52 54 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 6,-0.3 0.930 113.6 49.1 -69.3 -45.0 9.5 19.4 1.3 53 55 A L H 3< S+ 0 0 5 -4,-2.4 287,-0.6 1,-0.3 288,-0.3 0.795 112.0 50.2 -68.2 -26.5 6.7 21.8 1.8 54 56 A E T 3< S+ 0 0 111 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.397 97.0 76.6 -91.1 5.3 8.4 24.5 -0.2 55 57 A D X - 0 0 28 -3,-1.3 3,-2.4 -4,-0.3 -1,-0.1 -0.907 63.3-163.4-117.7 105.2 9.1 22.2 -3.2 56 58 A R T 3 S+ 0 0 160 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.604 81.9 80.9 -66.2 -10.0 6.0 21.6 -5.2 57 59 A R T 3 S+ 0 0 117 1,-0.2 230,-2.5 2,-0.1 2,-1.0 0.686 81.2 72.2 -69.5 -17.0 7.5 18.6 -6.9 58 60 A F E < S-D 286 0A 3 -3,-2.4 2,-0.4 -6,-0.3 228,-0.2 -0.888 95.5-156.4 -88.3 99.1 6.5 17.0 -3.7 59 61 A S E -D 285 0A 22 226,-2.9 226,-2.5 -2,-1.0 4,-0.3 -0.668 37.7-168.8 -97.0 132.4 2.9 17.1 -4.8 60 62 A M S > S+ 0 0 50 -2,-0.4 3,-1.4 224,-0.2 4,-0.4 0.929 94.2 54.4 -70.2 -48.9 -0.4 17.2 -2.9 61 63 A K G > S+ 0 0 131 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.892 103.4 55.0 -51.8 -45.3 -2.5 16.7 -6.0 62 64 A E G > S+ 0 0 35 1,-0.3 3,-1.7 223,-0.2 -1,-0.3 0.634 86.2 79.9 -74.8 -10.8 -0.6 13.5 -7.0 63 65 A T G < S+ 0 0 13 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.776 90.3 57.6 -59.6 -24.5 -1.2 11.8 -3.7 64 66 A A G < S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.417 79.4 126.4 -86.3 -0.4 -4.7 11.1 -5.2 65 67 A A S X S- 0 0 43 -3,-1.7 3,-1.9 1,-0.1 -3,-0.0 -0.318 71.1-105.8 -64.2 135.7 -3.2 9.2 -8.1 66 68 A A T 3 S+ 0 0 108 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.353 105.7 19.0 -59.3 137.2 -4.6 5.7 -8.7 67 69 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.425 91.2 135.4 84.3 -3.9 -2.0 3.1 -7.6 68 70 A A < - 0 0 17 -3,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.457 68.7 -96.8 -72.1 154.2 0.1 5.5 -5.5 69 71 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.523 52.1-147.2 -64.8 132.8 1.4 4.5 -2.1 70 72 A R - 0 0 54 -2,-0.2 -32,-0.5 1,-0.1 -34,-0.5 -0.905 30.3-157.9-117.0 137.8 -1.2 5.9 0.3 71 73 A L S S- 0 0 13 -2,-0.4 -36,-0.6 1,-0.3 -35,-0.4 0.892 87.6 -24.0 -63.4 -46.9 -1.1 7.3 3.9 72 74 A N S S- 0 0 19 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.925 84.9 -70.8-159.2 172.7 -4.8 6.5 4.2 73 75 A A - 0 0 7 96,-3.1 96,-0.3 -2,-0.3 2,-0.1 -0.444 54.1-100.4 -76.0 147.2 -7.9 6.0 2.0 74 76 A L - 0 0 53 1,-0.1 99,-0.4 -2,-0.1 -1,-0.1 -0.439 28.9-172.7 -60.6 138.7 -9.5 8.9 0.2 75 77 A T S S+ 0 0 27 -2,-0.1 -1,-0.1 97,-0.1 105,-0.1 0.350 72.9 44.1-111.3 2.5 -12.6 10.2 1.9 76 78 A V S S- 0 0 40 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.881 106.0 -75.3-133.1 165.4 -13.4 12.6 -1.0 77 79 A P >> - 0 0 33 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.377 51.2-113.7 -59.5 147.3 -13.5 12.2 -4.7 78 80 A P G >4 S+ 0 0 64 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.842 114.8 58.2 -57.5 -34.1 -9.9 12.2 -6.0 79 81 A E G >4 S+ 0 0 106 1,-0.2 3,-1.3 2,-0.2 7,-0.2 0.832 96.0 66.5 -62.6 -29.0 -10.3 15.5 -7.9 80 82 A V G X4 S+ 0 0 12 -3,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.739 82.3 72.9 -68.8 -20.8 -11.2 17.2 -4.6 81 83 A V G << S+ 0 0 30 -3,-1.2 3,-0.3 -4,-0.6 -1,-0.3 0.867 99.0 49.0 -56.9 -32.0 -7.7 16.6 -3.2 82 84 A N G <> S+ 0 0 26 -3,-1.3 4,-2.7 -4,-0.4 -1,-0.3 -0.011 76.1 132.2 -93.4 25.3 -6.7 19.4 -5.6 83 85 A N H <> + 0 0 9 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.879 69.7 49.0 -46.7 -51.9 -9.6 21.6 -4.3 84 86 A M H > S+ 0 0 46 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.930 112.3 48.2 -62.8 -42.2 -7.4 24.7 -3.8 85 87 A G H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.910 111.9 51.3 -54.5 -42.1 -5.9 24.3 -7.3 86 88 A N H X S+ 0 0 45 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.906 110.2 48.4 -65.3 -44.1 -9.4 23.9 -8.6 87 89 A I H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 6,-0.5 0.937 113.7 46.4 -59.9 -47.9 -10.5 27.1 -6.8 88 90 A A H ><5S+ 0 0 47 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.919 110.6 53.2 -63.1 -42.7 -7.6 29.0 -8.2 89 91 A D H 3<5S+ 0 0 135 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.4 53.1 -60.7 -32.5 -8.1 27.7 -11.7 90 92 A A T 3<5S- 0 0 22 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.397 117.9-113.4 -83.7 -1.7 -11.8 28.8 -11.5 91 93 A G T < 5S+ 0 0 46 -3,-1.5 4,-0.3 -4,-0.3 -3,-0.2 0.641 87.3 113.6 80.9 19.3 -10.7 32.4 -10.6 92 94 A L >< + 0 0 0 -5,-2.4 4,-2.7 -6,-0.2 5,-0.2 0.378 36.7 98.2-103.5 -0.9 -12.2 32.1 -7.1 93 95 A R H > S+ 0 0 113 -6,-0.5 4,-2.8 1,-0.2 5,-0.3 0.930 84.7 46.5 -61.3 -47.8 -9.1 32.1 -4.8 94 96 A K H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 116.4 45.9 -60.1 -45.2 -9.2 35.8 -3.9 95 97 A A H > S+ 0 0 24 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.911 113.5 48.1 -66.7 -43.0 -12.9 35.8 -3.2 96 98 A V H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 3,-0.3 0.966 114.0 46.3 -61.7 -50.7 -12.8 32.6 -1.2 97 99 A M H >< S+ 0 0 63 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.908 110.5 53.8 -63.6 -36.5 -9.9 33.7 0.9 98 100 A K H >< S+ 0 0 143 -4,-2.6 3,-1.0 -5,-0.3 -1,-0.2 0.871 105.4 54.1 -63.1 -37.0 -11.5 37.1 1.5 99 101 A A H 3< S+ 0 0 27 -4,-1.8 -1,-0.2 -3,-0.3 101,-0.2 0.671 107.1 51.6 -72.5 -15.2 -14.7 35.5 2.8 100 102 A I T << S+ 0 0 9 -3,-0.9 248,-0.4 -4,-0.9 -1,-0.2 0.169 81.7 106.8-114.9 20.0 -12.9 33.4 5.4 101 103 A T S X S- 0 0 53 -3,-1.0 3,-0.6 -4,-0.1 244,-0.0 -0.535 80.1-117.9 -81.4 160.5 -10.8 36.1 7.2 102 104 A P T 3 S+ 0 0 21 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.346 94.2 93.4 -77.3 15.1 -11.9 37.2 10.6 103 105 A K T 3 + 0 0 77 -5,-0.2 3,-0.1 4,-0.1 -4,-0.1 0.523 44.0 115.7 -95.9 -10.8 -12.5 40.7 9.2 104 106 A A S X S- 0 0 58 -3,-0.6 3,-2.2 -6,-0.1 4,-0.5 -0.383 80.8 -95.4 -57.4 131.7 -16.2 40.8 8.2 105 107 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.230 109.7 14.1 -43.5 133.7 -18.1 43.4 10.4 106 108 A G T 3> S+ 0 0 53 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 0.181 96.3 108.4 85.1 -16.5 -19.8 41.7 13.3 107 109 A L H <> S+ 0 0 8 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.954 79.9 42.1 -63.1 -52.2 -17.8 38.4 13.0 108 110 A E H > S+ 0 0 69 -4,-0.5 4,-2.5 -6,-0.4 -1,-0.2 0.883 114.5 52.2 -65.0 -34.2 -15.5 38.8 16.0 109 111 A Q H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 108.8 51.7 -67.8 -35.7 -18.4 40.0 18.1 110 112 A F H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 108.7 50.7 -63.6 -43.9 -20.4 37.0 17.0 111 113 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.937 113.8 44.4 -58.1 -47.5 -17.5 34.8 18.1 112 114 A R H X S+ 0 0 77 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.934 113.8 49.0 -65.9 -45.8 -17.3 36.4 21.5 113 115 A D H X S+ 0 0 80 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-60.0 -44.1 -22.9 18.4 -1.5 185 187 A E H X S+ 0 0 148 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.903 109.6 53.4 -64.0 -38.8 -26.7 18.4 -2.2 186 188 A Y H X S+ 0 0 49 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.949 110.8 44.4 -56.0 -53.4 -27.1 20.6 0.9 187 189 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.860 110.2 56.3 -67.0 -31.0 -24.6 23.2 -0.4 188 190 A A H X S+ 0 0 44 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.926 107.8 48.2 -62.1 -44.3 -26.1 23.0 -3.9 189 191 A G H X S+ 0 0 42 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.863 107.5 56.3 -62.0 -37.7 -29.5 23.9 -2.4 190 192 A I H >< S+ 0 0 5 -4,-1.9 3,-1.0 1,-0.2 6,-0.3 0.900 104.1 52.4 -60.8 -42.2 -27.8 26.8 -0.5 191 193 A L H 3< S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 111.8 47.0 -66.0 -26.8 -26.5 28.2 -3.8 192 194 A E H 3< S+ 0 0 87 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.497 89.6 102.4 -87.3 -7.1 -30.1 28.1 -5.1 193 195 A N X< - 0 0 51 -3,-1.0 3,-1.9 -4,-0.6 12,-0.1 -0.703 59.3-158.2 -91.5 112.5 -31.5 29.7 -2.0 194 196 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.780 89.2 64.1 -65.2 -22.1 -32.3 33.4 -2.5 195 197 A N T 3 S+ 0 0 138 1,-0.1 2,-1.1 2,-0.1 3,-0.2 0.594 81.1 87.6 -76.1 -11.2 -32.1 34.1 1.2 196 198 A I < + 0 0 14 -3,-1.9 -1,-0.1 -6,-0.3 9,-0.1 -0.763 45.1 136.6 -93.3 99.7 -28.4 33.2 1.4 197 199 A T + 0 0 77 -2,-1.1 2,-0.2 -48,-0.2 -1,-0.2 0.392 50.0 65.7-125.0 -3.2 -26.7 36.5 0.6 198 200 A T S > S+ 0 0 85 -49,-0.3 4,-1.7 -3,-0.2 3,-0.2 -0.714 80.6 19.8-120.5 170.9 -23.9 36.7 3.1 199 201 A G H > S- 0 0 28 -2,-0.2 4,-2.2 2,-0.2 -51,-0.3 -0.105 109.2 -41.2 71.4-169.1 -20.7 34.9 3.9 200 202 A L H > S+ 0 0 1 -53,-2.5 4,-3.0 -101,-0.2 -1,-0.2 0.893 141.0 46.8 -58.4 -45.7 -18.7 32.6 1.6 201 203 A M H > S+ 0 0 0 -53,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.858 110.1 53.5 -73.6 -31.9 -21.8 30.9 0.2 202 204 A G H X S+ 0 0 1 -4,-1.7 4,-1.2 -54,-0.5 -1,-0.2 0.933 113.3 43.8 -62.2 -44.0 -23.6 34.2 -0.4 203 205 A E H X S+ 0 0 60 -4,-2.2 4,-2.6 2,-0.2 3,-0.5 0.927 113.6 49.4 -69.3 -45.2 -20.6 35.5 -2.3 204 206 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.894 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