==== 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,ELECTRON TRANSPORT 24-OCT-06 2NNI . COMPND 2 MOLECULE: CYTOCHROME P450 2C8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.A.SCHOCH,J.K.YANO,C.D.STOUT,E.F.JOHNSON . 463 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 0 1 2 0 0 0 2 0 3 1 3 1 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 5 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 28 A K 0 0 156 0, 0.0 352,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.2 58.3 21.5 2.7 2 29 A L - 0 0 39 350,-0.2 352,-0.1 1,-0.1 37,-0.1 -0.286 360.0 -88.1 -68.1 158.3 55.6 21.1 0.0 3 30 A P - 0 0 5 0, 0.0 36,-0.4 0, 0.0 35,-0.1 -0.235 55.0 -87.4 -64.9 160.2 52.9 23.6 -0.1 4 31 A P + 0 0 59 0, 0.0 35,-3.8 0, 0.0 30,-0.1 0.217 60.0 140.0 -54.5-174.3 49.7 23.0 2.1 5 32 A G - 0 0 16 33,-0.2 2,-0.3 28,-0.1 35,-0.1 -0.876 55.5 -37.0 154.3 173.9 46.7 21.0 0.9 6 33 A P - 0 0 8 0, 0.0 35,-0.3 0, 0.0 11,-0.0 -0.466 66.4-116.0 -63.1 122.2 44.0 18.5 1.8 7 34 A T - 0 0 122 -2,-0.3 33,-0.0 1,-0.1 2,-0.0 -0.461 38.9-127.3 -64.0 126.1 45.6 15.9 4.1 8 35 A P - 0 0 58 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.220 6.1-122.5 -74.1 161.7 45.5 12.6 2.2 9 36 A L B > -A 13 0A 72 4,-1.7 4,-1.1 32,-0.2 2,-0.1 -0.563 47.2 -85.4 -94.4 162.8 44.2 9.2 3.2 10 37 A P T 4 S- 0 0 113 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 -0.461 101.6 -0.8 -75.5 149.0 46.7 6.3 3.1 11 38 A I T 4 S+ 0 0 114 1,-0.2 33,-0.1 -2,-0.1 0, 0.0 -0.224 135.1 46.2 73.0 -47.9 47.3 4.4 -0.1 12 39 A I T >4 S- 0 0 49 -2,-2.0 31,-2.3 1,-0.2 3,-0.7 0.781 85.8-158.6 -96.8 -30.4 44.9 6.4 -2.3 13 40 A G B 3< -AB 9 42A 2 -4,-1.1 -4,-1.7 1,-0.2 -1,-0.2 -0.711 61.6 -30.7 89.8-136.8 45.6 10.0 -1.4 14 41 A N T > S+ 0 0 0 27,-3.0 3,-3.3 -2,-0.4 4,-0.4 0.434 96.3 121.9 -99.2 -0.4 42.9 12.7 -2.1 15 42 A M G X S+ 0 0 20 -3,-0.7 3,-2.2 26,-0.7 -1,-0.2 0.766 73.0 50.2 -26.5 -61.5 41.5 10.8 -5.0 16 43 A L G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.254 106.1 58.7 -70.6 16.1 38.0 10.5 -3.6 17 44 A Q G < S+ 0 0 70 -3,-3.3 2,-0.4 1,-0.1 -1,-0.3 0.315 97.2 71.6-121.0 -0.3 38.1 14.3 -2.8 18 45 A I S < S- 0 0 10 -3,-2.2 2,-0.9 -4,-0.4 5,-0.1 -0.978 83.0-128.3-122.5 122.9 38.6 15.2 -6.5 19 46 A D - 0 0 87 -2,-0.4 7,-0.3 3,-0.2 6,-0.1 -0.597 21.1-155.8 -68.8 108.4 35.9 14.9 -9.1 20 47 A V S S+ 0 0 40 -2,-0.9 3,-0.5 2,-0.1 -1,-0.2 0.750 87.7 55.1 -61.5 -22.6 38.0 12.9 -11.7 21 48 A K S S+ 0 0 95 1,-0.2 2,-1.5 426,-0.1 427,-0.5 0.951 124.3 17.2 -72.0 -82.5 35.7 14.2 -14.4 22 49 A D S >> S+ 0 0 59 1,-0.2 3,-1.4 425,-0.1 4,-1.2 -0.416 76.2 164.6 -89.8 64.0 36.0 18.0 -14.0 23 50 A I H 3> + 0 0 20 -2,-1.5 4,-2.1 -3,-0.5 -1,-0.2 0.660 68.6 64.3 -54.4 -17.3 39.1 17.9 -11.8 24 51 A C H 3> S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.892 96.3 53.4 -77.2 -36.9 39.6 21.6 -12.4 25 52 A K H <> S+ 0 0 104 -3,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.882 109.7 52.9 -62.4 -33.3 36.5 22.6 -10.6 26 53 A S H X S+ 0 0 19 -4,-1.2 4,-1.7 -7,-0.3 3,-0.3 0.962 108.6 46.8 -64.5 -52.5 37.9 20.5 -7.8 27 54 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.895 108.0 56.9 -55.7 -44.7 41.2 22.3 -7.8 28 55 A T H X S+ 0 0 43 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.884 107.2 48.5 -56.5 -40.1 39.5 25.7 -7.9 29 56 A N H < S+ 0 0 59 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.860 108.2 54.4 -70.1 -32.8 37.6 24.9 -4.7 30 57 A F H >X S+ 0 0 27 -4,-1.7 3,-2.2 1,-0.2 4,-1.0 0.918 102.9 57.2 -64.8 -41.8 40.8 23.8 -3.1 31 58 A S H 3X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.3 3,-0.3 0.824 97.8 60.2 -58.0 -36.0 42.4 27.1 -3.9 32 59 A K H 3< S+ 0 0 149 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.497 115.4 37.2 -71.4 -0.3 39.6 28.9 -2.0 33 60 A V H <4 S+ 0 0 98 -3,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.500 132.4 20.6-126.4 -10.1 40.9 26.9 1.0 34 61 A Y H < S- 0 0 81 -4,-1.0 3,-0.3 -3,-0.3 -3,-0.2 0.330 100.1-127.0-140.0 -0.7 44.7 26.8 0.6 35 62 A G < - 0 0 24 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 -0.285 54.9 -26.6 86.1-169.8 45.5 29.7 -1.7 36 63 A P S S+ 0 0 68 0, 0.0 15,-2.8 0, 0.0 2,-0.4 0.809 124.8 39.0 -48.5 -49.5 47.4 30.0 -5.0 37 64 A V E S+ C 0 50A 7 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.887 71.2 148.0-113.1 142.2 49.8 27.1 -4.4 38 65 A F E - C 0 49A 0 11,-1.4 11,-3.0 -2,-0.4 2,-0.4 -0.984 36.1-119.7-169.3 158.7 49.0 23.7 -2.9 39 66 A T E + C 0 48A 5 -35,-3.8 2,-0.3 -36,-0.4 9,-0.2 -0.878 24.0 173.1-110.5 135.2 49.7 19.9 -2.8 40 67 A V E - C 0 47A 0 7,-2.0 7,-1.6 -2,-0.4 2,-0.6 -0.959 25.4-131.5-132.9 148.5 47.2 17.1 -3.5 41 68 A Y E - C 0 46A 68 -2,-0.3 -27,-3.0 -35,-0.3 2,-0.9 -0.906 9.7-164.7-110.7 117.3 48.1 13.4 -3.7 42 69 A F E > S-BC 13 45A 6 3,-2.0 3,-1.9 -2,-0.6 2,-0.3 -0.872 79.3 -43.1 -92.3 109.5 46.8 11.2 -6.6 43 70 A G T 3 S- 0 0 1 -31,-2.3 -29,-0.1 -2,-0.9 -28,-0.1 -0.522 124.2 -27.4 67.5-130.2 47.5 7.8 -5.1 44 71 A M T 3 S+ 0 0 128 147,-0.3 -1,-0.3 -2,-0.3 -31,-0.1 0.449 118.5 101.9 -96.3 -1.2 50.9 8.0 -3.4 45 72 A N E < -C 42 0A 72 -3,-1.9 -3,-2.0 146,-0.0 2,-0.2 -0.688 65.6-138.6 -89.6 130.0 52.1 10.7 -5.9 46 73 A P E -C 41 0A 38 0, 0.0 313,-0.9 0, 0.0 2,-0.4 -0.552 16.6-170.0 -84.7 151.9 52.2 14.4 -4.8 47 74 A I E -Cd 40 359A 10 -7,-1.6 -7,-2.0 -2,-0.2 2,-0.8 -0.925 11.5-152.7-144.0 115.0 51.1 17.1 -7.2 48 75 A V E -Cd 39 360A 0 311,-1.9 313,-1.4 -2,-0.4 2,-0.4 -0.812 18.5-157.7 -94.4 114.0 51.7 20.8 -6.5 49 76 A V E -Cd 38 361A 0 -11,-3.0 -11,-1.4 -2,-0.8 2,-0.5 -0.746 4.3-150.4 -94.1 134.8 49.0 22.9 -8.3 50 77 A F E -Cd 37 362A 0 311,-2.7 313,-2.0 -2,-0.4 2,-0.4 -0.904 12.5-169.1-108.8 125.8 49.3 26.6 -9.2 51 78 A H + 0 0 46 -15,-2.8 4,-0.4 -2,-0.5 313,-0.1 -0.938 45.3 16.6-118.7 130.5 46.2 28.8 -9.3 52 79 A G S > S- 0 0 20 -2,-0.4 4,-2.6 311,-0.4 5,-0.3 0.094 88.4 -75.2 96.0 151.8 46.0 32.3 -10.8 53 80 A Y H > S+ 0 0 28 313,-0.4 4,-2.5 1,-0.2 5,-0.3 0.897 126.2 48.6 -47.0 -55.0 48.1 34.5 -13.1 54 81 A E H > S+ 0 0 139 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.892 114.1 44.0 -58.6 -43.8 50.8 35.3 -10.5 55 82 A A H > S+ 0 0 2 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.964 116.5 46.2 -67.2 -49.9 51.4 31.7 -9.4 56 83 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.4 0.858 119.2 42.3 -58.9 -37.2 51.4 30.3 -12.9 57 84 A K H X>S+ 0 0 70 -4,-2.5 5,-1.9 -5,-0.3 4,-1.9 0.918 110.7 52.5 -77.3 -47.7 53.7 33.1 -14.1 58 85 A E H <>S+ 0 0 55 -4,-2.8 5,-0.9 -5,-0.3 -2,-0.2 0.922 121.2 36.4 -54.9 -42.5 56.1 33.1 -11.2 59 86 A A H X5S+ 0 0 1 -4,-2.3 4,-1.1 -5,-0.2 8,-0.3 0.997 125.2 32.9 -71.6 -73.5 56.5 29.4 -11.7 60 87 A L H <5S+ 0 0 6 -4,-2.0 345,-0.8 -5,-0.2 -3,-0.2 0.817 134.9 23.8 -55.0 -40.4 56.4 28.8 -15.5 61 88 A I T ><5S+ 0 0 75 -4,-1.9 3,-1.8 -5,-0.4 -3,-0.2 0.928 125.7 39.9 -92.9 -65.6 58.0 32.0 -16.5 62 89 A D T 34X + 0 0 6 -3,-1.8 3,-0.6 1,-0.2 4,-0.5 0.782 63.0 51.0 -27.9 -64.7 61.3 28.8 -16.2 65 92 A E H >4 S+ 0 0 67 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.904 110.3 46.6 -48.9 -53.9 64.2 26.4 -16.1 66 93 A E H <4 S+ 0 0 59 -3,-0.6 278,-2.5 1,-0.3 3,-0.4 0.799 116.6 46.3 -63.8 -26.5 63.3 24.5 -13.0 67 94 A F H << S+ 0 0 2 -4,-1.6 275,-0.3 -3,-0.6 -1,-0.3 0.340 86.6 91.5 -96.5 7.2 59.7 24.1 -14.3 68 95 A S << + 0 0 7 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.266 59.9 109.4 -86.3 12.9 60.5 23.1 -17.8 69 96 A G E S-E 342 0A 4 273,-1.0 273,-2.0 -3,-0.4 2,-0.7 -0.664 71.8-119.7 -91.0 146.5 60.5 19.4 -17.1 70 97 A R E -E 341 0A 28 -2,-0.3 271,-0.3 271,-0.3 2,-0.2 -0.745 20.5-132.0 -87.1 114.9 57.8 17.1 -18.4 71 98 A G - 0 0 7 269,-0.9 2,-0.2 -2,-0.7 271,-0.1 -0.494 38.8-168.3 -61.0 126.3 55.8 15.4 -15.6 72 99 A N - 0 0 44 -2,-0.2 3,-0.1 269,-0.0 -1,-0.1 -0.498 12.3-171.8-113.2-173.9 55.8 11.8 -16.9 73 100 A S > - 0 0 36 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.994 41.9 -86.1-169.0 168.8 54.1 8.5 -16.1 74 101 A P H > S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.863 124.4 40.7 -51.1 -44.4 53.7 4.7 -16.5 75 102 A I H > S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.984 114.9 48.4 -69.3 -61.0 51.4 5.2 -19.5 76 103 A S H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.842 113.4 52.1 -47.4 -39.2 53.2 8.1 -21.2 77 104 A Q H X S+ 0 0 84 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.940 106.8 47.8 -66.6 -51.9 56.4 6.1 -20.8 78 105 A R H < S+ 0 0 115 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.617 115.1 48.4 -68.9 -11.7 55.3 2.8 -22.3 79 106 A I H < S+ 0 0 31 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.910 128.6 17.9 -89.8 -54.8 53.9 4.6 -25.4 80 107 A T H >< S- 0 0 24 -4,-2.1 3,-1.0 -5,-0.2 -3,-0.2 0.798 83.0-143.6 -86.9 -33.9 56.8 6.9 -26.2 81 108 A K T 3< S- 0 0 116 -4,-2.7 -4,-0.1 -5,-0.4 -3,-0.1 0.748 72.1 -63.0 72.1 24.3 59.7 5.2 -24.4 82 109 A G T 3 S+ 0 0 10 -6,-0.4 -1,-0.2 1,-0.3 7,-0.2 0.595 106.4 136.5 76.1 9.7 61.0 8.7 -23.7 83 110 A L < + 0 0 21 -3,-1.0 4,-0.4 -6,-0.2 -1,-0.3 -0.566 45.7 17.5 -89.0 153.0 61.4 9.2 -27.4 84 111 A G S S- 0 0 0 -2,-0.2 12,-0.1 1,-0.1 179,-0.1 -0.514 95.4 -65.9 93.1-158.9 60.4 12.4 -29.3 85 112 A I S S+ 0 0 14 -2,-0.2 -1,-0.1 177,-0.2 12,-0.1 0.824 115.7 55.6-105.7 -44.4 59.7 15.9 -28.0 86 113 A I S S+ 0 0 47 1,-0.2 -2,-0.1 -3,-0.1 177,-0.0 0.948 119.6 28.1 -59.2 -53.1 56.5 15.8 -25.9 87 114 A S S S+ 0 0 3 -4,-0.4 -1,-0.2 -11,-0.1 -3,-0.1 0.690 100.2 94.4 -86.7 -18.6 57.6 13.2 -23.4 88 115 A S - 0 0 4 -5,-0.2 2,-0.3 4,-0.1 -18,-0.2 -0.137 50.1-171.7 -70.8 169.8 61.4 13.6 -23.4 89 116 A N > + 0 0 62 -7,-0.2 4,-0.9 -20,-0.1 3,-0.5 -0.866 42.6 19.8-147.6 178.7 63.4 15.8 -20.9 90 117 A G H >> S- 0 0 44 -2,-0.3 4,-1.9 1,-0.2 3,-1.4 -0.041 119.6 -12.4 53.7-153.0 66.9 17.0 -20.3 91 118 A K H 3> S+ 0 0 119 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.882 134.9 55.7 -47.6 -49.5 69.5 17.1 -23.1 92 119 A R H 3> S+ 0 0 82 -3,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.796 111.0 46.6 -57.9 -28.6 67.4 15.0 -25.5 93 120 A W H XX S+ 0 0 13 -3,-1.4 4,-3.3 -4,-0.9 3,-0.5 0.983 109.1 51.0 -74.6 -62.9 64.6 17.4 -25.2 94 121 A K H 3X S+ 0 0 111 -4,-1.9 4,-2.0 1,-0.3 -2,-0.2 0.823 114.2 45.2 -42.9 -44.3 66.5 20.7 -25.6 95 122 A E H 3X S+ 0 0 57 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.3 0.877 116.0 44.3 -72.2 -38.4 68.1 19.4 -28.8 96 123 A I H < S+ 0 0 81 -4,-1.6 3,-1.3 -5,-0.2 -1,-0.2 0.838 114.0 53.9 -78.5 -32.2 63.5 26.2 -36.2 103 130 A T H 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.677 106.3 55.7 -73.7 -15.5 62.6 23.5 -38.7 104 131 A L T 3< S+ 0 0 29 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.175 79.7 121.1 -99.8 14.5 58.9 24.5 -38.1 105 132 A R S X S- 0 0 176 -3,-1.3 3,-1.0 1,-0.1 4,-0.3 -0.462 87.4 -92.4 -75.1 154.6 59.4 28.2 -39.0 106 133 A N T 3 S+ 0 0 53 1,-0.3 8,-2.2 2,-0.1 9,-0.3 0.688 127.2 17.9 -39.3 -29.8 57.4 29.5 -42.0 107 134 A F T > S+ 0 0 125 6,-0.2 3,-2.3 7,-0.1 -1,-0.3 0.433 90.1 113.9-122.7 -5.3 60.2 28.6 -44.3 108 135 A G T < S+ 0 0 30 -3,-1.0 -2,-0.1 1,-0.3 3,-0.1 0.462 76.6 53.9 -49.7 -3.2 62.3 26.2 -42.2 109 136 A M T 3 S- 0 0 2 1,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.236 116.9 -82.0-118.9 14.3 61.6 23.2 -44.5 110 137 A G S < S- 0 0 22 -3,-2.3 -1,-0.4 1,-0.2 124,-0.1 -0.850 77.3 -25.0 126.4-162.4 62.6 24.6 -47.9 111 138 A K S S+ 0 0 160 122,-0.3 2,-0.8 -2,-0.3 -1,-0.2 0.816 114.4 75.1 -60.9 -35.3 61.3 26.7 -50.7 112 139 A R S S- 0 0 74 -3,-0.2 -3,-0.2 122,-0.1 -1,-0.1 -0.725 80.0-139.5 -88.7 105.6 57.6 26.1 -49.9 113 140 A S > - 0 0 18 -2,-0.8 4,-0.8 1,-0.1 -6,-0.2 -0.100 17.7-120.4 -56.9 157.3 56.5 28.0 -46.8 114 141 A I H >> S+ 0 0 6 -8,-2.2 4,-2.5 1,-0.2 3,-1.3 0.906 112.3 64.6 -66.3 -40.7 54.2 26.3 -44.3 115 142 A E H 3> S+ 0 0 30 -9,-0.3 4,-3.7 1,-0.3 -1,-0.2 0.868 98.6 54.7 -48.6 -41.5 51.6 29.0 -44.9 116 143 A D H 3> S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.835 107.4 49.0 -64.1 -32.4 51.4 27.8 -48.5 117 144 A R H < S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 5,-0.5 0.813 101.8 55.9 -64.3 -32.7 32.3 21.8 -47.3 130 157 A R H >< S+ 0 0 93 -4,-1.3 3,-2.5 -3,-0.3 -1,-0.2 0.904 97.5 65.8 -65.2 -37.8 30.6 22.7 -50.6 131 158 A K T 3< S+ 0 0 118 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.711 85.9 69.2 -53.9 -26.3 30.0 18.9 -51.1 132 159 A T T X S- 0 0 18 -3,-0.9 3,-1.5 -4,-0.5 -1,-0.3 0.737 98.5-141.7 -67.5 -20.1 27.6 19.0 -48.0 133 160 A K T < - 0 0 178 -3,-2.5 -2,-0.1 -4,-0.3 -3,-0.1 0.917 57.0 -65.4 60.3 44.5 25.3 21.0 -50.3 134 161 A A T 3 S+ 0 0 37 326,-0.6 -1,-0.3 -5,-0.5 327,-0.1 0.448 99.2 143.0 60.7 -1.8 24.2 23.3 -47.5 135 162 A S < - 0 0 55 -3,-1.5 325,-0.4 1,-0.1 -1,-0.2 -0.427 62.0 -94.4 -71.7 141.4 22.6 20.3 -45.8 136 163 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 323,-0.2 -0.213 60.3 156.1 -53.9 144.0 22.8 20.1 -42.0 137 164 A C B -G 458 0B 24 321,-1.6 321,-3.5 -3,-0.1 297,-0.1 -0.983 51.0-101.9-162.9 168.2 25.7 18.0 -40.7 138 165 A D > - 0 0 67 -2,-0.3 3,-0.6 319,-0.3 4,-0.4 -0.889 31.0-157.8 -97.3 108.0 28.1 17.3 -37.9 139 166 A P T 3> + 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.550 64.7 103.4 -68.0 -3.6 31.4 19.1 -39.0 140 167 A T H 3> S+ 0 0 49 316,-0.3 4,-1.3 1,-0.2 5,-0.1 0.870 81.1 40.4 -46.7 -53.9 33.5 16.9 -36.8 141 168 A F H <> S+ 0 0 117 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.938 119.6 43.4 -65.4 -48.0 35.0 14.6 -39.4 142 169 A I H > S+ 0 0 27 -4,-0.4 4,-0.9 1,-0.2 3,-0.5 0.948 113.9 50.6 -61.0 -51.6 35.5 17.2 -42.1 143 170 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.761 110.0 52.9 -58.1 -28.5 37.0 19.8 -39.7 144 171 A G H X S+ 0 0 5 -4,-1.3 4,-1.4 -5,-0.4 -1,-0.2 0.825 98.1 62.4 -78.8 -32.5 39.3 17.1 -38.4 145 172 A C H X S+ 0 0 3 -4,-1.5 4,-1.3 -3,-0.5 -1,-0.2 0.764 99.3 57.9 -64.1 -27.0 40.8 16.1 -41.8 146 173 A A H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 3,-0.3 0.979 107.9 39.8 -70.6 -57.4 42.2 19.6 -42.3 147 174 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.833 118.7 50.8 -61.6 -30.8 44.5 19.9 -39.2 148 175 A C H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.806 110.0 48.8 -75.8 -30.3 45.5 16.3 -39.7 149 176 A N H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.799 103.7 60.7 -79.2 -28.9 46.3 16.9 -43.3 150 177 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.916 106.8 46.4 -62.1 -43.0 48.4 20.0 -42.5 151 178 A I H >X S+ 0 0 6 -4,-1.3 4,-2.7 2,-0.2 3,-0.6 0.959 109.8 52.8 -64.7 -48.7 50.7 17.8 -40.4 152 179 A C H 3X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.3 -2,-0.2 0.926 111.0 48.6 -50.1 -46.2 50.9 15.2 -43.2 153 180 A S H 3< S+ 0 0 2 -4,-2.7 4,-0.3 1,-0.2 -1,-0.3 0.791 112.3 48.8 -63.9 -30.9 51.9 18.0 -45.5 154 181 A V H << S+ 0 0 1 -4,-1.6 82,-2.1 -3,-0.6 -2,-0.2 0.811 124.7 26.6 -81.0 -33.1 54.5 19.3 -43.0 155 182 A V H < S+ 0 0 0 -4,-2.7 82,-0.9 80,-0.2 -2,-0.2 0.733 128.6 39.1-102.0 -25.1 56.1 15.9 -42.3 156 183 A F S < S- 0 0 0 -4,-3.2 2,-2.5 -5,-0.4 -3,-0.1 0.050 93.5-128.6-114.5 26.9 55.4 14.0 -45.6 157 184 A Q S S+ 0 0 51 -4,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.380 86.5 57.8 66.0 -73.2 55.9 16.6 -48.3 158 185 A K S S- 0 0 73 -2,-2.5 2,-0.2 -3,-0.1 -2,-0.1 -0.598 81.3-125.7 -91.8 148.1 52.5 16.0 -50.0 159 186 A R - 0 0 49 -2,-0.2 2,-0.1 -6,-0.1 -9,-0.1 -0.579 30.0-117.1 -86.3 153.1 49.0 16.1 -48.5 160 187 A F - 0 0 6 -2,-0.2 2,-0.5 -11,-0.1 -1,-0.1 -0.398 24.2-108.7 -85.4 167.4 46.8 13.1 -48.8 161 188 A D > - 0 0 91 1,-0.1 3,-2.4 -2,-0.1 6,-0.3 -0.843 30.0-121.5 -94.5 134.4 43.5 13.0 -50.6 162 189 A Y T 3 S+ 0 0 17 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.777 112.8 49.8 -45.2 -34.3 40.6 12.8 -48.2 163 190 A K T 3 S+ 0 0 129 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.636 82.5 117.3 -82.8 -14.6 39.4 9.6 -49.8 164 191 A D <> - 0 0 55 -3,-2.4 4,-1.9 1,-0.1 3,-0.4 -0.326 64.1-141.8 -56.1 126.1 42.8 8.0 -49.7 165 192 A Q H > S+ 0 0 118 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.898 98.5 58.5 -57.5 -45.0 42.7 4.9 -47.4 166 193 A N H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 107.8 47.8 -53.6 -39.2 46.2 5.6 -45.9 167 194 A F H > S+ 0 0 0 -3,-0.4 4,-2.0 -6,-0.3 -1,-0.2 0.934 112.2 47.8 -68.1 -49.7 44.9 9.0 -44.7 168 195 A L H X S+ 0 0 53 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.890 116.3 43.8 -60.0 -41.4 41.7 7.6 -43.2 169 196 A T H X S+ 0 0 33 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.915 109.7 56.0 -69.5 -42.5 43.6 4.8 -41.4 170 197 A L H X S+ 0 0 7 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.858 114.6 42.7 -56.2 -36.1 46.3 7.2 -40.3 171 198 A M H X S+ 0 0 30 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.983 109.7 50.1 -75.0 -65.7 43.5 9.2 -38.7 172 199 A K H X S+ 0 0 124 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.897 109.3 59.0 -38.3 -49.2 41.3 6.5 -37.1 173 200 A R H X S+ 0 0 69 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.937 111.9 35.4 -44.1 -67.1 44.6 5.3 -35.6 174 201 A F H X S+ 0 0 29 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.857 116.8 55.0 -60.3 -37.9 45.3 8.6 -33.8 175 202 A N H X S+ 0 0 41 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.962 106.3 50.5 -62.4 -51.0 41.7 9.3 -33.0 176 203 A E H X S+ 0 0 50 -4,-3.5 4,-2.8 -5,-0.3 -1,-0.2 0.925 113.2 45.3 -51.0 -52.1 41.2 5.9 -31.3 177 204 A N H X S+ 0 0 15 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.3 0.876 111.0 55.5 -62.4 -35.0 44.2 6.5 -29.1 178 205 A F H < S+ 0 0 39 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.949 110.5 43.9 -62.5 -47.4 43.0 10.0 -28.5 179 206 A R H >< S+ 0 0 126 -4,-3.0 3,-1.0 2,-0.2 -2,-0.2 0.934 115.4 47.7 -64.6 -44.6 39.7 8.9 -27.2 180 207 A I H >< S+ 0 0 47 -4,-2.8 3,-1.9 1,-0.2 6,-0.2 0.990 113.5 46.6 -56.6 -64.3 41.2 6.0 -25.1 181 208 A L T 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 268,-0.2 0.464 105.2 63.6 -58.0 -3.1 43.9 8.2 -23.5 182 209 A N T < S+ 0 0 17 -3,-1.0 -1,-0.3 -4,-0.4 268,-0.2 0.213 77.8 115.3-109.3 17.2 41.3 10.9 -22.8 183 210 A S S X> S- 0 0 39 -3,-1.9 3,-3.0 1,-0.1 4,-0.6 -0.633 76.0-124.5 -88.9 142.6 39.2 8.8 -20.4 184 211 A P H >> S+ 0 0 18 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.800 111.3 71.4 -51.9 -27.6 38.8 9.7 -16.7 185 212 A W H 3> S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.720 85.1 66.2 -61.1 -23.7 40.1 6.1 -16.3 186 213 A I H <> S+ 0 0 27 -3,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.888 96.9 52.5 -67.1 -40.1 43.6 7.3 -17.4 187 214 A Q H X S+ 0 0 26 -4,-1.1 4,-2.8 2,-0.2 3,-1.5 0.995 114.6 46.5 -66.5 -65.3 43.2 6.5 -12.1 189 216 A C H 3< S+ 0 0 8 -4,-2.6 7,-0.2 1,-0.3 -2,-0.2 0.731 106.8 60.3 -49.7 -30.7 45.3 3.9 -14.0 190 217 A N H 3< S+ 0 0 21 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.864 115.4 32.5 -69.4 -34.7 48.3 6.2 -14.1 191 218 A N H << S+ 0 0 28 -3,-1.5 -147,-0.3 -4,-0.9 -2,-0.2 0.788 125.3 43.8 -90.5 -32.1 48.5 6.5 -10.3 192 219 A F S >< S+ 0 0 45 -4,-2.8 3,-2.4 1,-0.2 -1,-0.2 -0.612 71.9 176.4-112.6 68.8 47.3 2.9 -9.6 193 220 A P G >> S+ 0 0 51 0, 0.0 3,-2.7 0, 0.0 4,-0.6 0.760 72.7 69.0 -40.1 -40.7 49.4 1.1 -12.3 194 221 A L G >4 S+ 0 0 129 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.872 90.1 64.5 -51.2 -39.2 48.1 -2.3 -11.1 195 222 A L G <4 S+ 0 0 60 -3,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.543 84.2 73.7 -65.4 -7.7 44.7 -1.3 -12.5 196 223 A I G X4 S+ 0 0 17 -3,-2.7 3,-3.1 -7,-0.2 -1,-0.3 0.905 86.1 63.1 -71.5 -39.0 46.1 -1.2 -16.0 197 224 A D T << S+ 0 0 134 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.767 91.6 68.7 -54.0 -24.5 46.1 -5.0 -16.0 198 225 A C T 3 S+ 0 0 97 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.482 94.9 57.2 -73.4 -3.9 42.3 -4.7 -15.6 199 226 A F <> + 0 0 68 -3,-3.1 4,-2.4 1,-0.1 -1,-0.2 -0.439 59.9 151.8-128.4 62.1 42.2 -3.3 -19.2 200 227 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 75.2 43.8 -53.7 -57.3 43.7 -6.1 -21.4 201 228 A G H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.971 116.6 44.0 -56.5 -61.5 41.8 -5.3 -24.6 202 229 A T H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 111.7 56.2 -53.4 -39.6 42.1 -1.5 -24.5 203 230 A H H X S+ 0 0 49 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.956 108.8 45.9 -59.8 -49.5 45.8 -1.8 -23.5 204 231 A N H X S+ 0 0 106 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.916 109.5 53.8 -61.6 -44.6 46.5 -3.9 -26.6 205 232 A K H X S+ 0 0 73 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.946 108.5 49.5 -55.1 -52.0 44.6 -1.6 -29.0 206 233 A V H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 115.1 43.1 -50.5 -56.3 46.5 1.5 -27.9 207 234 A L H X S+ 0 0 55 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.836 112.3 54.9 -60.8 -36.2 49.9 -0.2 -28.3 208 235 A K H X S+ 0 0 121 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.940 108.2 46.9 -65.2 -48.0 48.8 -1.7 -31.6 209 236 A N H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.890 114.7 48.8 -60.5 -38.1 47.9 1.6 -33.1 210 237 A V H X S+ 0 0 20 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.901 113.0 47.1 -67.8 -40.5 51.2 3.0 -31.8 211 238 A A H X S+ 0 0 43 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.968 113.7 46.1 -64.5 -55.7 53.1 0.0 -33.3 212 239 A L H X S+ 0 0 61 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.921 111.0 53.6 -54.5 -47.7 51.4 0.2 -36.7 213 240 A T H X S+ 0 0 9 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.953 104.8 53.4 -54.1 -52.7 51.9 3.9 -36.9 214 241 A R H X S+ 0 0 42 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.880 109.4 51.3 -50.7 -39.9 55.6 3.7 -36.2 215 242 A S H X S+ 0 0 51 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.987 108.8 48.2 -60.8 -59.5 55.8 1.2 -39.1 216 243 A Y H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.872 113.1 48.6 -48.4 -44.8 54.0 3.4 -41.6 217 244 A I H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.979 113.3 46.6 -62.3 -53.0 56.2 6.4 -40.7 218 245 A R H X S+ 0 0 67 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.875 111.4 50.9 -55.5 -42.5 59.4 4.3 -41.0 219 246 A E H X S+ 0 0 119 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.946 114.8 45.3 -59.2 -45.1 58.2 2.9 -44.3 220 247 A K H X S+ 0 0 15 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.734 108.1 56.8 -69.6 -26.3 57.5 6.5 -45.4 221 248 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.822 101.9 55.3 -76.8 -31.6 60.9 7.8 -44.0 222 249 A K H X S+ 0 0 120 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.884 102.6 56.9 -67.3 -37.1 62.9 5.3 -46.2 223 250 A E H < S+ 0 0 104 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.930 108.3 48.3 -57.6 -44.4 61.1 6.8 -49.2 224 251 A H H < S+ 0 0 1 -4,-1.2 3,-0.4 1,-0.2 -2,-0.2 0.906 109.7 51.0 -63.0 -43.7 62.4 10.1 -48.1 225 252 A Q H >< S+ 0 0 83 -4,-2.1 2,-2.9 1,-0.3 3,-2.2 0.972 104.1 57.9 -57.8 -56.7 66.0 8.8 -47.7 226 253 A A T 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 -0.304 119.5 29.5 -73.4 59.0 66.1 7.2 -51.1 227 254 A S T 3 S+ 0 0 60 -2,-2.9 -1,-0.3 -3,-0.4 2,-0.2 0.267 81.9 151.7 165.3 7.1 65.4 10.6 -52.8 228 255 A L < - 0 0 61 -3,-2.2 2,-0.8 1,-0.1 3,-0.1 -0.405 28.0-164.1 -64.2 124.0 66.9 13.1 -50.4 229 256 A D > - 0 0 76 3,-0.2 3,-1.7 -2,-0.2 -1,-0.1 -0.846 5.0-162.6-110.1 92.2 68.1 16.3 -52.1 230 257 A V T 3 S+ 0 0 88 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.722 81.5 62.0 -44.5 -31.2 70.3 17.8 -49.4 231 258 A N T 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.752 115.7 21.7 -74.2 -26.1 70.2 21.2 -51.1 232 259 A N S < S- 0 0 52 -3,-1.7 -1,-0.3 -122,-0.1 -3,-0.2 -0.817 79.6-145.3-146.0 100.4 66.5 21.9 -50.8 233 260 A P - 0 0 33 0, 0.0 -122,-0.3 0, 0.0 3,-0.1 -0.342 2.6-156.9 -64.5 145.2 64.5 19.9 -48.1 234 261 A R - 0 0 76 -124,-0.1 2,-0.2 1,-0.1 -122,-0.1 0.829 65.3 -22.2 -90.8 -41.2 60.9 18.9 -49.0 235 262 A D S > S- 0 0 0 -80,-0.1 4,-1.5 -79,-0.1 -80,-0.2 -0.667 86.4 -62.1-148.7-158.7 59.4 18.5 -45.5 236 263 A F H > S+ 0 0 0 -82,-2.1 4,-1.8 -2,-0.2 -81,-0.2 0.870 125.5 54.9 -69.5 -41.2 60.2 17.8 -41.9 237 264 A I H > S+ 0 0 0 -82,-0.9 4,-3.1 2,-0.2 5,-0.2 0.897 105.2 53.2 -60.9 -42.9 61.7 14.4 -42.5 238 265 A D H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.962 108.5 50.2 -57.0 -52.4 64.2 15.8 -45.0 239 266 A C H X S+ 0 0 16 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.852 113.0 46.1 -54.8 -39.0 65.3 18.4 -42.5 240 267 A F H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.953 111.1 51.4 -69.8 -49.7 65.8 15.7 -39.8 241 268 A L H X S+ 0 0 15 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 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