==== 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 10-JAN-13 4IPS . 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) . 17509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 67.3 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 . 16 4.1 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 . 149 37.8 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 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.2 -13.2 -9.9 -13.7 2 4 A T - 0 0 142 3,-0.0 2,-0.1 0, 0.0 3,-0.1 -0.916 360.0-114.8-125.6 153.6 -11.0 -6.8 -13.7 3 5 A V - 0 0 112 -2,-0.3 3,-0.1 1,-0.1 30,-0.0 -0.448 50.3 -77.7 -79.6 160.8 -8.7 -5.2 -11.1 4 6 A L - 0 0 45 1,-0.1 29,-0.2 -2,-0.1 -1,-0.1 -0.282 64.7 -84.5 -56.6 137.0 -9.5 -1.8 -9.6 5 7 A L - 0 0 57 26,-0.3 28,-2.4 27,-0.1 2,-0.3 -0.197 51.0-141.4 -47.3 128.7 -8.6 1.1 -11.9 6 8 A E B -a 33 0A 110 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.692 16.2-106.8 -99.3 146.8 -4.9 2.0 -11.6 7 9 A V S S+ 0 0 13 26,-2.3 28,-0.2 -2,-0.3 2,-0.1 -0.922 85.8 43.4-118.4 152.1 -3.2 5.4 -11.6 8 10 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.572 64.9-159.1 -77.5 163.8 -1.5 7.0 -13.3 9 11 A F - 0 0 56 1,-0.3 2,-0.3 -2,-0.1 -3,-0.1 0.874 68.3 -9.3 -74.7 -44.1 -3.3 6.5 -16.6 10 12 A S - 0 0 35 269,-0.2 -1,-0.3 2,-0.1 375,-0.0 -0.944 44.9-142.7-158.6 141.9 -0.5 7.4 -19.1 11 13 A A + 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 375,-0.1 0.504 69.1 115.7 -79.6 -8.5 3.0 9.0 -18.9 12 14 A R - 0 0 74 1,-0.1 3,-0.3 366,-0.1 -2,-0.1 -0.488 44.8-171.5 -68.0 131.3 2.3 10.8 -22.2 13 15 A G S S+ 0 0 6 -2,-0.3 263,-0.4 1,-0.2 -1,-0.1 0.247 73.6 71.3-103.8 12.6 2.2 14.6 -21.8 14 16 A D S S+ 0 0 41 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.388 103.0 28.6-107.0 -3.1 1.0 15.4 -25.3 15 17 A R S S- 0 0 106 -3,-0.3 -1,-0.2 261,-0.1 -3,-0.0 -0.977 72.1-126.9-154.8 146.6 -2.6 14.2 -24.9 16 18 A I - 0 0 43 -2,-0.3 -3,-0.1 -3,-0.1 5,-0.1 -0.834 37.6-113.2 -94.0 134.5 -5.1 13.9 -22.1 17 19 A P >> - 0 0 19 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.350 15.1-127.4 -64.6 145.2 -6.6 10.3 -21.9 18 20 A D H 3> S+ 0 0 111 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.784 105.6 73.6 -60.5 -27.4 -10.4 10.0 -22.7 19 21 A A H 3> S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.780 86.2 63.5 -57.5 -31.1 -10.7 8.3 -19.3 20 22 A V H <> S+ 0 0 1 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.961 106.2 41.1 -62.1 -48.9 -10.3 11.6 -17.5 21 23 A A H X S+ 0 0 47 -4,-0.6 4,-2.3 -3,-0.3 -1,-0.2 0.852 113.7 55.0 -66.7 -31.7 -13.5 13.1 -19.0 22 24 A E H X S+ 0 0 101 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.937 112.3 42.2 -65.4 -47.5 -15.3 9.8 -18.4 23 25 A L H X S+ 0 0 12 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.908 113.0 53.4 -63.3 -43.8 -14.4 9.8 -14.7 24 26 A R H < S+ 0 0 23 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.915 115.4 39.9 -60.4 -41.5 -15.1 13.5 -14.3 25 27 A T H < S+ 0 0 119 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 129.2 27.4 -70.3 -46.4 -18.6 13.0 -15.8 26 28 A R H < S+ 0 0 190 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.780 139.0 4.8 -89.9 -36.2 -19.6 9.8 -14.1 27 29 A E < - 0 0 82 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 -0.522 57.6-179.7-156.4 74.3 -17.6 9.6 -10.9 28 30 A P S S+ 0 0 35 0, 0.0 16,-2.6 0, 0.0 17,-0.6 0.581 85.4 37.6 -67.0 -8.2 -15.6 12.7 -10.1 29 31 A I E S+ B 0 43A 6 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.954 84.3 148.8-132.9 120.3 -14.4 11.1 -6.9 30 32 A R E - B 0 42A 46 12,-1.9 12,-3.2 -2,-0.4 2,-0.2 -0.993 46.6 -93.4-151.5 158.9 -13.7 7.4 -7.3 31 33 A K E + B 0 41A 54 -2,-0.3 2,-0.3 10,-0.2 -26,-0.3 -0.500 43.5 167.8 -79.7 141.1 -11.4 4.7 -5.9 32 34 A V E - B 0 40A 0 8,-2.7 8,-2.3 -2,-0.2 2,-0.4 -0.893 32.2-118.6-139.4 169.0 -8.2 3.8 -7.6 33 35 A R E -aB 6 39A 74 -28,-2.4 -26,-2.3 -2,-0.3 6,-0.2 -0.944 26.7-146.6-113.8 132.0 -5.1 1.8 -6.9 34 36 A T > - 0 0 6 4,-3.0 3,-2.1 -2,-0.4 38,-0.1 -0.353 34.6 -93.9 -88.4 174.3 -1.7 3.5 -6.8 35 37 A I T 3 S+ 0 0 55 36,-0.6 135,-0.1 1,-0.3 37,-0.1 0.708 124.2 58.9 -63.0 -21.0 1.7 2.1 -7.8 36 38 A T T 3 S- 0 0 50 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.557 119.5-107.7 -82.7 -8.5 2.4 1.0 -4.2 37 39 A G S < S+ 0 0 38 -3,-2.1 -2,-0.1 1,-0.4 2,-0.1 0.262 78.7 130.5 96.0 -9.3 -0.8 -1.1 -4.1 38 40 A A - 0 0 20 32,-0.5 -4,-3.0 -5,-0.1 -1,-0.4 -0.403 56.6-124.8 -72.7 153.2 -2.6 1.3 -1.8 39 41 A E E +B 33 0A 77 -6,-0.2 263,-0.5 -3,-0.1 2,-0.3 -0.658 34.4 172.4 -95.4 157.4 -6.1 2.4 -2.7 40 42 A A E -B 32 0A 1 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.6 -0.969 36.4-104.7-152.9 163.8 -6.9 6.1 -2.9 41 43 A W E -Bc 31 303A 32 261,-2.6 263,-3.2 -2,-0.3 2,-0.6 -0.895 30.4-152.2 -98.6 120.0 -9.7 8.5 -3.9 42 44 A L E -Bc 30 304A 3 -12,-3.2 -12,-1.9 -2,-0.6 2,-0.5 -0.815 8.1-160.3 -94.5 122.4 -9.0 10.2 -7.3 43 45 A V E +Bc 29 305A 0 261,-2.9 263,-2.5 -2,-0.6 -14,-0.2 -0.911 19.4 164.9-107.8 124.7 -10.7 13.6 -7.6 44 46 A S + 0 0 0 -16,-2.6 2,-0.3 -2,-0.5 -20,-0.1 0.372 41.3 86.7-129.0 1.2 -11.2 14.9 -11.2 45 47 A S S > S- 0 0 11 -17,-0.6 4,-2.8 1,-0.1 265,-0.3 -0.808 73.9-124.8-101.9 154.6 -13.7 17.8 -11.3 46 48 A Y H > S+ 0 0 26 263,-0.4 4,-2.5 -2,-0.3 5,-0.3 0.931 110.3 51.6 -58.6 -47.2 -12.7 21.4 -10.7 47 49 A A H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 115.6 39.4 -59.9 -45.6 -15.3 21.8 -7.9 48 50 A L H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 112.9 55.2 -76.4 -33.6 -14.1 18.8 -6.0 49 51 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.932 111.4 45.1 -60.2 -48.2 -10.4 19.4 -6.6 50 52 A T H X S+ 0 0 17 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.904 109.2 56.4 -64.1 -38.8 -10.7 22.9 -5.2 51 53 A Q H < S+ 0 0 61 -4,-1.7 4,-0.4 -5,-0.3 -2,-0.2 0.936 111.1 43.5 -56.9 -46.2 -12.7 21.7 -2.3 52 54 A V H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 6,-0.3 0.938 114.4 48.4 -66.2 -46.7 -9.9 19.3 -1.3 53 55 A L H 3< S+ 0 0 6 -4,-2.4 287,-0.5 1,-0.3 288,-0.3 0.774 111.2 51.7 -66.4 -23.9 -7.1 21.7 -1.8 54 56 A E T 3< S+ 0 0 112 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.435 96.0 77.8 -90.2 -2.8 -8.9 24.4 0.2 55 57 A D X - 0 0 29 -3,-1.3 3,-2.3 -4,-0.4 -1,-0.1 -0.921 62.0-162.7-114.3 106.9 -9.5 22.1 3.2 56 58 A R T 3 S+ 0 0 164 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.656 84.0 79.8 -65.0 -12.1 -6.4 21.7 5.4 57 59 A R T 3 S+ 0 0 115 1,-0.1 230,-2.3 2,-0.1 2,-1.0 0.724 81.6 71.8 -66.9 -17.9 -8.0 18.6 7.0 58 60 A F E < S-D 286 0A 4 -3,-2.3 2,-0.4 -6,-0.3 228,-0.2 -0.885 92.8-158.5 -91.7 100.9 -6.8 17.0 3.8 59 61 A S E -D 285 0A 19 226,-2.8 226,-2.6 -2,-1.0 4,-0.4 -0.699 36.4-168.5 -97.9 134.7 -3.2 17.2 4.9 60 62 A M S > S+ 0 0 35 -2,-0.4 3,-1.6 224,-0.2 4,-0.4 0.933 94.0 55.4 -76.3 -48.6 0.1 17.1 2.9 61 63 A K G > S+ 0 0 110 1,-0.3 3,-1.6 2,-0.2 21,-0.1 0.875 103.4 55.5 -48.8 -45.4 2.2 16.7 6.1 62 64 A E G > S+ 0 0 73 1,-0.3 3,-1.9 223,-0.2 -1,-0.3 0.657 85.3 79.1 -71.2 -12.6 0.3 13.6 7.1 63 65 A T G < S+ 0 0 10 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.758 90.6 58.1 -62.0 -22.1 0.9 11.8 3.8 64 66 A A G < S+ 0 0 17 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.452 78.8 123.9 -85.9 -2.2 4.4 11.0 5.3 65 67 A A S X S- 0 0 36 -3,-1.9 3,-1.9 1,-0.1 -3,-0.0 -0.331 73.2-103.0 -61.8 138.2 2.9 9.2 8.4 66 68 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.1 -0.334 105.9 18.6 -60.4 137.1 4.2 5.7 8.9 67 69 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.406 91.0 136.5 84.0 -3.2 1.6 3.1 7.8 68 70 A A < - 0 0 17 -3,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.420 68.0 -97.2 -71.3 152.6 -0.4 5.6 5.6 69 71 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.542 52.0-146.2 -62.7 134.9 -1.6 4.5 2.2 70 72 A R - 0 0 56 -2,-0.2 -34,-0.5 1,-0.1 -32,-0.5 -0.879 30.7-158.7-116.2 140.9 1.0 5.9 -0.2 71 73 A L S S- 0 0 13 -2,-0.4 -36,-0.6 1,-0.3 -35,-0.4 0.887 86.8 -24.1 -69.7 -44.7 0.9 7.4 -3.7 72 74 A N S S- 0 0 18 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.924 84.0 -72.5-160.0 170.6 4.7 6.6 -4.0 73 75 A A - 0 0 9 96,-2.9 96,-0.3 -2,-0.3 2,-0.1 -0.490 53.6-101.0 -75.6 147.9 7.7 6.1 -1.9 74 76 A L - 0 0 55 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.458 29.0-174.2 -63.3 138.8 9.3 9.0 -0.1 75 77 A T S S+ 0 0 25 -2,-0.1 -1,-0.1 97,-0.1 105,-0.1 0.312 73.6 46.8-110.0 1.4 12.5 10.3 -1.8 76 78 A V S S- 0 0 38 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.904 106.0 -77.5-130.9 164.9 13.2 12.8 1.1 77 79 A P >> - 0 0 34 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.295 50.7-111.4 -59.8 148.8 13.2 12.4 4.9 78 80 A P G >4 S+ 0 0 68 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.849 116.1 58.7 -56.8 -34.9 9.5 12.4 6.2 79 81 A E G >4 S+ 0 0 119 1,-0.3 3,-1.2 2,-0.2 7,-0.2 0.809 95.7 65.0 -63.7 -26.2 9.9 15.7 7.9 80 82 A V G X4 S+ 0 0 11 -3,-1.6 3,-2.0 1,-0.3 -1,-0.3 0.693 83.5 72.8 -73.3 -15.6 10.8 17.3 4.5 81 83 A V G << S+ 0 0 31 -3,-1.4 3,-0.3 -4,-0.6 -1,-0.3 0.897 99.1 49.6 -64.3 -28.2 7.3 16.5 3.2 82 84 A N G <> S+ 0 0 29 -3,-1.2 4,-2.6 -4,-0.5 3,-0.3 0.019 77.8 134.1 -92.1 28.0 6.3 19.4 5.6 83 85 A N H <> + 0 0 21 -3,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.864 69.9 44.7 -47.8 -53.1 9.1 21.6 4.1 84 86 A M H > S+ 0 0 46 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.895 113.1 51.1 -63.9 -37.8 7.0 24.7 3.7 85 87 A G H > S+ 0 0 17 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.889 110.6 49.8 -61.1 -41.4 5.5 24.4 7.1 86 88 A N H X S+ 0 0 45 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.919 111.5 48.4 -64.6 -43.0 9.0 24.0 8.6 87 89 A I H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 6,-0.5 0.928 113.4 47.5 -61.8 -44.7 10.1 27.1 6.7 88 90 A A H ><5S+ 0 0 45 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.920 110.6 51.4 -64.0 -41.8 7.1 29.1 7.9 89 91 A D H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 106.2 55.2 -65.4 -30.0 7.6 27.9 11.5 90 92 A A T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.442 117.6-115.3 -79.6 -4.4 11.3 29.0 11.3 91 93 A G T < 5S+ 0 0 45 -3,-1.6 4,-0.2 -4,-0.2 -3,-0.2 0.720 85.8 115.8 74.8 26.9 10.0 32.5 10.4 92 94 A L >< + 0 0 0 -5,-2.6 4,-2.6 -6,-0.2 5,-0.2 0.422 35.5 97.1-107.5 -2.7 11.6 32.2 6.9 93 95 A R H > S+ 0 0 140 -6,-0.5 4,-2.7 1,-0.2 5,-0.2 0.920 86.3 46.3 -56.3 -47.5 8.6 32.3 4.5 94 96 A K H > S+ 0 0 186 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 114.5 47.7 -62.4 -42.9 8.8 36.0 3.7 95 97 A A H > S+ 0 0 22 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 112.1 48.9 -66.5 -41.2 12.6 35.9 3.1 96 98 A V H X S+ 0 0 2 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.953 112.8 49.0 -64.5 -43.4 12.4 32.8 0.9 97 99 A M H < S+ 0 0 73 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.892 110.1 50.0 -58.6 -47.6 9.5 34.3 -1.2 98 100 A K H >< S+ 0 0 167 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.863 108.4 53.8 -61.2 -37.4 11.4 37.6 -1.7 99 101 A A H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.2 101,-0.2 0.759 108.8 48.3 -71.1 -23.1 14.5 35.7 -2.8 100 102 A I T 3< S+ 0 0 12 -4,-1.2 248,-0.2 -3,-0.5 -1,-0.2 0.246 80.8 120.6-105.5 16.0 12.6 33.8 -5.5 101 103 A T X - 0 0 49 -3,-1.0 3,-1.1 -4,-0.2 244,-0.0 -0.551 62.0-139.3 -74.6 141.3 10.7 36.7 -7.1 102 104 A P T 3 S+ 0 0 7 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.640 94.2 78.4 -74.0 -11.6 11.5 37.2 -10.8 103 105 A K T 3 + 0 0 149 4,-0.1 3,-0.1 5,-0.1 -3,-0.0 0.421 61.8 126.1 -76.6 -0.3 11.4 41.0 -10.2 104 106 A A S X> S- 0 0 38 -3,-1.1 3,-2.1 1,-0.1 4,-0.5 -0.290 78.3 -85.8 -58.5 138.1 15.0 41.0 -8.7 105 107 A P T 34 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.249 110.3 1.2 -52.9 130.4 17.3 43.6 -10.5 106 108 A G T 3> S+ 0 0 50 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 0.308 99.4 111.1 76.5 -4.5 18.9 42.0 -13.6 107 109 A L H <> S+ 0 0 9 -3,-2.1 4,-2.3 2,-0.2 5,-0.1 0.928 78.5 45.1 -68.4 -46.0 17.2 38.6 -13.3 108 110 A E H X S+ 0 0 32 -4,-0.5 4,-2.6 -6,-0.4 -1,-0.2 0.916 114.4 50.9 -63.9 -39.9 14.9 38.9 -16.3 109 111 A Q H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.895 109.0 51.1 -62.7 -40.8 17.8 40.2 -18.3 110 112 A F H X S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.905 109.9 49.9 -61.0 -43.4 19.9 37.2 -17.1 111 113 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.937 113.4 46.4 -60.9 -46.1 17.0 34.9 -18.3 112 114 A R H X S+ 0 0 75 -4,-2.6 4,-2.8 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>4>S+ 0 0 10 3,-0.2 5,-2.5 4,-0.2 3,-0.6 0.914 120.6 29.6 -85.7 -62.4 14.8 19.7 -23.4 133 135 A N T 345S+ 0 0 56 1,-0.2 -2,-0.2 4,-0.2 256,-0.1 0.772 132.3 34.1 -70.0 -26.0 18.4 18.8 -22.8 134 136 A D T 3<5S+ 0 0 80 -4,-2.2 -1,-0.2 3,-0.1 -3,-0.2 0.287 133.8 12.3-115.8 9.8 20.0 21.7 -24.6 135 137 A F T <>5S+ 0 0 0 -3,-0.6 4,-2.4 -5,-0.2 5,-0.2 0.358 121.9 37.5-142.4 -73.9 17.5 24.5 -23.9 136 138 A A H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.878 112.7 52.4 -63.1 -33.6 19.9 24.3 -18.9 139 141 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.939 111.9 45.3 -64.5 -45.3 17.8 27.5 -18.8 140 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.912 114.7 48.6 -60.0 -43.8 16.0 26.2 -15.6 141 143 A T H X S+ 0 0 14 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.931 112.2 47.2 -64.7 -48.0 19.3 25.2 -14.1 142 144 A A H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.912 111.6 52.1 -60.6 -43.7 21.0 28.5 -14.9 143 145 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.924 110.7 46.6 -57.3 -47.8 18.1 30.4 -13.5 144 146 A H H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 6,-0.2 0.845 109.0 53.2 -71.6 -30.5 18.1 28.5 -10.2 145 147 A C H X>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 4,-1.5 0.932 113.5 45.8 -64.5 -41.0 21.8 28.8 -9.7 146 148 A K H <5S+ 0 0 99 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.942 113.5 47.5 -65.2 -46.8 21.4 32.6 -10.2 147 149 A V H <5S+ 0 0 8 -4,-2.8 53,-2.6 1,-0.2 -1,-0.2 0.888 116.1 45.3 -62.2 -40.1 18.3 32.7 -7.9 148 150 A L H <5S- 0 0 1 -4,-2.5 53,-2.4 51,-0.3 54,-0.5 0.700 107.9-125.0 -75.1 -21.0 20.2 30.7 -5.2 149 151 A G T <5 + 0 0 12 -4,-1.5 49,-0.3 -3,-0.3 -3,-0.2 0.684 65.2 133.4 81.7 21.3 23.4 32.7 -5.5 150 152 A I < - 0 0 9 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.687 66.2 -79.6-105.3 159.6 25.5 29.5 -6.2 151 153 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.255 29.8-134.9 -59.7 136.9 28.1 29.0 -8.9 152 154 A Q G > S+ 0 0 82 1,-0.3 3,-1.5 2,-0.2 -7,-0.1 0.859 105.3 63.8 -55.6 -36.3 26.7 28.3 -12.4 153 155 A E G 3 S+ 0 0 164 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.668 97.1 57.0 -65.2 -16.1 29.4 25.5 -12.7 154 156 A D G <> S+ 0 0 28 -3,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.586 86.9 82.6 -88.3 -15.2 27.7 23.6 -9.8 155 157 A G H <> S+ 0 0 0 -3,-1.5 4,-3.0 -4,-0.5 5,-0.2 0.911 82.3 55.8 -56.4 -51.5 24.3 23.5 -11.5 156 158 A P H > S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.896 109.0 45.7 -56.2 -42.7 24.9 20.4 -13.8 157 159 A K H > S+ 0 0 65 -4,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.912 114.4 48.2 -67.2 -41.5 25.8 18.0 -10.9 158 160 A L H >< S+ 0 0 3 -4,-1.6 3,-1.4 1,-0.2 4,-0.3 0.923 110.8 53.8 -62.5 -41.1 22.9 19.2 -8.8 159 161 A F H >< S+ 0 0 48 -4,-3.0 3,-2.0 1,-0.3 4,-0.4 0.854 97.3 64.3 -59.9 -39.1 20.6 18.8 -11.8 160 162 A R H 3< S+ 0 0 163 -4,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.665 91.4 64.6 -65.8 -13.7 21.7 15.2 -12.3 161 163 A S T XX S+ 0 0 2 -3,-1.4 4,-2.7 -4,-0.5 3,-1.2 0.709 87.9 76.0 -70.8 -21.6 20.2 14.2 -9.0 162 164 A L H <> S+ 0 0 9 -3,-2.0 4,-1.9 -4,-0.3 -1,-0.2 0.774 77.3 64.5 -71.1 -28.8 16.7 15.1 -10.4 163 165 A S H 34 S+ 0 0 52 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.670 120.1 28.9 -65.8 -17.4 16.0 12.1 -12.6 164 166 A I H X4 S+ 0 0 39 -3,-1.2 3,-1.9 -4,-0.2 -2,-0.2 0.725 114.6 59.4-104.9 -43.3 16.0 10.0 -9.4 165 167 A A H 3< S+ 0 0 27 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.824 110.5 44.1 -59.5 -34.2 14.9 12.6 -6.8 166 168 A F T 3< S+ 0 0 34 -4,-1.9 217,-3.1 -5,-0.2 -1,-0.3 0.177 84.4 131.3-100.2 19.4 11.6 13.2 -8.6 167 169 A M B < -H 382 0C 65 -3,-1.9 2,-0.6 215,-0.2 215,-0.3 -0.333 53.3-143.4 -63.9 151.6 10.9 9.5 -9.3 168 170 A S + 0 0 3 213,-2.5 2,-0.3 212,-0.1 -94,-0.1 -0.866 39.6 170.3-118.3 86.1 7.4 8.3 -8.5 169 171 A S - 0 0 28 -2,-0.6 -96,-2.9 -96,-0.3 -133,-0.1 -0.707 46.7-138.3-107.4 149.3 8.4 4.8 -7.3 170 172 A A S S+ 0 0 38 -2,-0.3 -1,-0.1 -98,-0.2 -100,-0.1 0.786 93.0 35.9 -71.5 -26.4 6.5 2.0 -5.5 171 173 A D S S- 0 0 109 -98,-0.1 -98,-0.2 1,-0.1 -2,-0.1 -0.858 99.6 -80.1-129.6 156.8 9.6 1.4 -3.3 172 174 A P - 0 0 104 0, 0.0 -97,-0.1 0, 0.0 -1,-0.1 -0.182 43.0-133.8 -54.6 150.4 12.3 3.4 -1.6 173 175 A I >> - 0 0 27 -99,-0.4 4,-1.2 1,-0.2 3,-1.0 -0.904 9.4-159.2-115.9 108.1 15.2 4.4 -3.9 174 176 A P H >> S+ 0 0 105 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.906 93.6 54.2 -56.5 -41.5 18.7 3.9 -2.6 175 177 A A H 3> S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.801 99.0 63.4 -61.6 -31.0 20.2 6.4 -5.0 176 178 A A H <> S+ 0 0 5 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.910 105.2 45.2 -62.6 -38.7 17.8 9.1 -3.8 177 179 A K H < S+ 0 0 5 -4,-2.0 3,-1.0 1,-0.2 6,-0.3 0.900 102.5 55.2 -61.1 -40.9 27.5 26.9 0.7 191 193 A L H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 113.7 41.6 -62.7 -29.5 26.2 28.3 4.0 192 194 A E H 3< S+ 0 0 116 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.436 90.2 106.3 -94.3 -2.6 29.7 28.3 5.3 193 195 A N X< - 0 0 48 -3,-1.0 3,-1.9 -4,-0.6 12,-0.0 -0.689 61.7-151.7 -84.7 118.4 31.3 29.6 2.1 194 196 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.661 91.8 63.1 -64.7 -17.8 32.3 33.3 2.5 195 197 A N T 3 S+ 0 0 129 1,-0.1 2,-1.1 2,-0.0 3,-0.1 0.526 79.8 90.2 -80.7 -11.6 31.8 33.9 -1.2 196 198 A I < + 0 0 12 -3,-1.9 -1,-0.1 -6,-0.3 -46,-0.1 -0.755 41.8 131.0 -95.5 95.8 28.1 33.2 -1.1 197 199 A T + 0 0 80 -2,-1.1 2,-0.3 -48,-0.2 -1,-0.2 0.281 52.4 67.8-128.5 5.0 26.5 36.5 -0.4 198 200 A T S > S+ 0 0 88 -49,-0.3 4,-1.9 -3,-0.1 3,-0.2 -0.788 83.0 11.3-124.3 168.6 23.7 36.8 -3.0 199 201 A G H > S- 0 0 32 -2,-0.3 4,-2.2 2,-0.2 -51,-0.3 -0.045 110.5 -36.1 64.9-164.1 20.4 35.2 -3.8 200 202 A L H > S+ 0 0 1 -53,-2.6 4,-2.9 -101,-0.2 5,-0.2 0.911 140.3 47.1 -61.6 -46.1 18.5 32.8 -1.6 201 203 A M H > S+ 0 0 0 -53,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.855 110.3 52.4 -69.6 -32.4 21.6 31.1 -0.2 202 204 A G H X S+ 0 0 1 -4,-1.9 4,-1.6 -54,-0.5 -1,-0.2 0.907 112.4 46.8 -65.0 -38.8 23.3 34.4 0.5 203 205 A E H X S+ 0 0 57 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.935 112.9 47.4 -68.6 -44.8 20.1 35.5 2.4 204 206 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.884 108.9 56.6 -62.7 -36.9 19.9 32.2 4.3 205 207 A S H X S+ 0 0 22 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.875 111.6 42.1 -61.5 -40.1 23.6 32.5 5.1 206 208 A R H >< S+ 0 0 122 -4,-1.6 3,-1.1 2,-0.2 4,-0.4 0.921 113.2 50.9 -74.2 -41.7 23.1 35.9 6.7 207 209 A L H >< S+ 0 0 12 -4,-2.8 3,-1.7 1,-0.3 6,-0.3 0.886 101.9 64.1 -62.5 -33.2 19.9 35.0 8.5 208 210 A R H 3< S+ 0 0 35 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.809 107.4 41.8 -58.7 -29.3 21.7 31.9 9.9 209 211 A K T << S+ 0 0 141 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.382 92.4 103.4 -99.4 1.2 24.1 34.3 11.8 210 212 A D S X S- 0 0 62 -3,-1.7 3,-2.6 -4,-0.4 4,-0.2 -0.716 76.0-131.4 -83.0 132.9 21.3 36.7 12.9 211 213 A P G > S+ 0 0 110 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.793 104.6 66.6 -56.8 -27.7 20.3 36.3 16.5 212 214 A A G 3 S+ 0 0 76 1,-0.2 -4,-0.1 2,-0.1 3,-0.1 0.566 111.5 35.5 -69.6 -7.8 16.6 36.2 15.6 213 215 A Y G X S+ 0 0 53 -3,-2.6 3,-1.7 -6,-0.3 -1,-0.2 0.117 78.5 120.1-129.1 21.0 17.3 32.8 13.8 214 216 A S T < S+ 0 0 84 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.724 78.6 46.2 -64.0 -23.2 19.9 31.3 16.1 215 217 A H T 3 S+ 0 0 181 -4,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.408 81.4 111.3-101.3 5.9 17.9 28.3 16.9 216 218 A V S < S- 0 0 20 -3,-1.7 2,-0.1 -126,-0.1 -3,-0.1 -0.593 78.1-110.2 -72.3 135.1 16.8 27.5 13.3 217 219 A S > 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