==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAR-04 1SUO . COMPND 2 MOLECULE: CYTOCHROME P450 2B4; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR E.E.SCOTT,M.A.WHITE,Y.A.HE,E.F.JOHNSON,C.D.STOUT,J.R.HALPERT . 465 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 68.2 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 . 31 6.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 1 0 0 1 1 1 2 1 0 2 2 0 0 0 0 0 0 0 1 0 0 0 1 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 . 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 G 0 0 87 0, 0.0 354,-0.0 0, 0.0 353,-0.0 0.000 360.0 360.0 360.0 -24.0 -14.6 58.5 11.2 2 29 A K - 0 0 140 351,-0.2 352,-3.7 352,-0.1 0, 0.0 0.436 360.0 -91.1 82.8 143.3 -14.2 59.7 7.6 3 30 A L - 0 0 56 350,-0.2 352,-0.1 1,-0.1 37,-0.1 -0.362 52.7 -82.6 -80.2 160.0 -15.1 62.8 5.7 4 31 A P - 0 0 5 0, 0.0 36,-0.2 0, 0.0 35,-0.2 -0.254 61.6 -83.5 -61.3 154.5 -18.4 63.5 3.8 5 32 A P + 0 0 43 0, 0.0 35,-2.2 0, 0.0 30,-0.1 -0.037 64.6 138.2 -54.7 157.2 -18.7 62.0 0.3 6 33 A G - 0 0 27 33,-0.2 2,-0.2 -3,-0.1 35,-0.1 -0.954 52.5 -51.6 173.1 169.3 -17.3 63.8 -2.7 7 34 A P - 0 0 5 0, 0.0 35,-0.2 0, 0.0 11,-0.1 -0.402 60.6-108.6 -64.9 130.6 -15.4 63.7 -6.1 8 35 A S - 0 0 102 -2,-0.2 2,-0.1 1,-0.1 33,-0.0 -0.367 42.8-135.0 -57.4 125.0 -12.0 62.0 -5.9 9 36 A P - 0 0 50 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.430 4.2-133.8 -88.4 160.8 -9.3 64.7 -6.1 10 37 A L B > -A 14 0A 68 4,-2.2 4,-2.2 -2,-0.1 6,-0.2 -0.835 39.2 -96.4-105.6 146.3 -6.1 64.9 -8.1 11 38 A P T 4 S- 0 0 116 0, 0.0 2,-2.9 0, 0.0 -1,-0.1 -0.290 103.9 -1.0 -58.9 151.3 -2.9 66.1 -6.4 12 39 A V T 4 S+ 0 0 110 1,-0.2 33,-0.0 -3,-0.0 -2,-0.0 -0.315 134.2 55.2 67.5 -64.8 -2.3 69.8 -6.9 13 40 A L T >4 S- 0 0 74 -2,-2.9 3,-2.2 1,-0.2 31,-0.5 0.603 82.8-175.1 -75.7 -12.9 -5.4 70.4 -9.1 14 41 A G B 3< -A 10 0A 3 -4,-2.2 -4,-2.2 1,-0.3 3,-0.3 -0.273 66.9 -20.3 53.9-127.2 -7.8 69.0 -6.5 15 42 A N T > S+ 0 0 0 27,-2.4 3,-2.0 29,-0.2 4,-0.3 0.079 94.2 127.9-101.4 26.2 -11.3 68.8 -7.9 16 43 A L G X S+ 0 0 66 -3,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.847 71.0 55.0 -46.8 -42.0 -10.7 71.4 -10.6 17 44 A L G 3 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.716 105.9 51.3 -69.1 -22.4 -12.0 69.0 -13.2 18 45 A Q G < S+ 0 0 63 -3,-2.0 -1,-0.3 -11,-0.1 -2,-0.2 0.236 92.3 101.8 -97.2 12.3 -15.3 68.6 -11.3 19 46 A M S < S- 0 0 28 -3,-1.3 2,-0.5 -4,-0.3 5,-0.1 -0.429 72.5-117.5 -91.1 169.2 -16.0 72.3 -11.0 20 47 A D > - 0 0 26 3,-0.4 3,-1.7 -2,-0.1 7,-0.4 -0.925 12.9-136.7-110.5 131.4 -18.3 74.5 -12.9 21 48 A R T 3 S+ 0 0 220 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.630 97.3 74.4 -57.8 -16.1 -16.9 77.4 -15.0 22 49 A K T 3 S- 0 0 132 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.871 111.1 -85.7 -68.5 -36.7 -19.7 79.7 -13.8 23 50 A G <> - 0 0 9 -3,-1.7 4,-2.4 1,-0.1 -3,-0.4 -0.922 47.6 -58.9 154.1-179.8 -18.2 80.0 -10.3 24 51 A L H > S+ 0 0 8 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.892 124.5 51.5 -62.6 -40.9 -17.8 78.5 -6.9 25 52 A L H > S+ 0 0 19 2,-0.2 4,-2.8 423,-0.2 5,-0.2 0.949 112.5 44.3 -64.8 -45.7 -21.5 78.6 -6.0 26 53 A R H > S+ 0 0 77 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.948 112.2 54.4 -64.0 -42.4 -22.6 76.8 -9.2 27 54 A S H X S+ 0 0 2 -4,-2.4 4,-2.2 -7,-0.4 -1,-0.2 0.938 111.8 45.0 -54.1 -47.3 -19.8 74.3 -8.7 28 55 A F H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.897 113.3 48.6 -65.7 -40.0 -21.1 73.7 -5.2 29 56 A L H X S+ 0 0 44 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.900 110.9 50.9 -70.0 -35.7 -24.7 73.4 -6.3 30 57 A R H >X S+ 0 0 137 -4,-3.4 3,-1.0 -5,-0.2 4,-0.9 0.952 110.3 48.6 -64.4 -47.1 -23.8 71.0 -9.1 31 58 A L H 3X S+ 0 0 11 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.830 102.9 63.3 -61.0 -32.5 -21.8 68.7 -6.8 32 59 A R H 3X S+ 0 0 47 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.831 96.5 59.0 -61.2 -30.8 -24.8 68.8 -4.3 33 60 A E H << S+ 0 0 159 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.906 115.1 34.0 -64.3 -41.1 -26.9 67.1 -7.0 34 61 A K H < S+ 0 0 155 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.904 130.5 28.2 -81.7 -45.6 -24.5 64.1 -7.1 35 62 A Y H < S- 0 0 64 -4,-3.0 3,-0.3 1,-0.3 -3,-0.2 0.495 101.2-116.7-101.8 -3.6 -23.3 63.8 -3.5 36 63 A G < - 0 0 32 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.503 50.9 -45.1 102.8-175.4 -26.0 65.2 -1.2 37 64 A D S S+ 0 0 53 1,-0.2 15,-2.5 -2,-0.2 2,-0.4 0.628 125.8 45.3 -73.4 -16.9 -26.4 68.1 1.2 38 65 A V E S+B 51 0B 8 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.924 75.0 147.5-134.5 108.7 -23.0 67.5 2.9 39 66 A F E -B 50 0B 0 11,-1.7 11,-3.2 -2,-0.4 2,-0.4 -0.859 40.0-122.2-137.0 171.6 -20.0 66.8 0.8 40 67 A T E +B 49 0B 6 -35,-2.2 2,-0.3 -2,-0.3 9,-0.2 -0.934 27.1 175.4-114.8 135.1 -16.2 67.3 0.6 41 68 A V E -B 48 0B 0 7,-2.4 7,-2.7 -2,-0.4 2,-0.7 -0.985 26.7-128.5-137.7 148.9 -14.5 69.1 -2.3 42 69 A Y E -B 47 0B 64 -2,-0.3 -27,-2.4 5,-0.2 2,-1.0 -0.872 12.4-163.8-104.2 114.5 -10.8 70.0 -2.7 43 70 A L E > S-B 46 0B 8 3,-2.7 3,-2.0 -2,-0.7 2,-0.2 -0.833 75.5 -46.2 -94.3 102.9 -10.1 73.6 -3.6 44 71 A G T 3 S- 0 0 2 -2,-1.0 -29,-0.2 -31,-0.5 149,-0.1 -0.548 123.6 -27.8 66.9-135.6 -6.5 73.2 -4.8 45 72 A S T 3 S+ 0 0 105 147,-0.3 -1,-0.3 -2,-0.2 -32,-0.1 0.512 119.3 101.1 -88.9 -3.8 -4.9 71.0 -2.1 46 73 A R E < -B 43 0B 89 -3,-2.0 -3,-2.7 146,-0.3 2,-0.4 -0.697 64.9-142.9 -88.3 125.0 -7.3 72.2 0.6 47 74 A P E -B 42 0B 45 0, 0.0 313,-0.7 0, 0.0 2,-0.4 -0.693 23.8-179.3 -84.3 130.6 -10.3 69.9 1.6 48 75 A V E -Bc 41 360B 0 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.977 21.9-135.2-131.4 145.6 -13.4 71.8 2.5 49 76 A V E -Bc 40 361B 0 311,-2.8 313,-2.8 -2,-0.4 2,-0.5 -0.831 17.0-153.1 -99.7 138.1 -16.8 70.6 3.6 50 77 A V E -Bc 39 362B 0 -11,-3.2 -11,-1.7 -2,-0.4 2,-0.5 -0.941 3.8-161.7-113.5 129.5 -19.9 72.1 2.0 51 78 A L E -Bc 38 363B 0 311,-2.5 313,-2.5 -2,-0.5 2,-0.4 -0.932 14.4-176.1-110.1 128.1 -23.3 72.2 3.8 52 79 A C + 0 0 0 -15,-2.5 4,-0.5 -2,-0.5 313,-0.1 -0.935 40.0 27.3-127.8 148.7 -26.4 72.8 1.6 53 80 A G S > S- 0 0 2 311,-0.5 4,-1.8 -2,-0.4 315,-0.3 0.210 87.6 -83.3 84.2 150.0 -30.0 73.2 2.5 54 81 A T H > S+ 0 0 0 313,-0.5 4,-2.6 1,-0.2 5,-0.2 0.892 122.0 52.7 -52.6 -50.0 -31.7 74.6 5.5 55 82 A D H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 110.2 45.6 -59.5 -49.1 -31.6 71.5 7.6 56 83 A A H > S+ 0 0 0 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.910 113.8 49.1 -61.9 -43.8 -27.9 70.7 7.3 57 84 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.5 0.946 112.7 47.4 -63.4 -45.3 -26.8 74.3 7.9 58 85 A R H X>S+ 0 0 53 -4,-2.6 5,-1.9 1,-0.2 4,-1.4 0.862 108.3 55.3 -64.8 -35.3 -29.0 74.5 11.1 59 86 A E H <>S+ 0 0 62 -4,-2.2 5,-0.6 -5,-0.2 -1,-0.2 0.921 118.4 35.0 -64.1 -40.4 -27.7 71.2 12.4 60 87 A A H X5S+ 0 0 0 -4,-2.0 4,-1.4 3,-0.2 8,-0.4 0.990 124.7 35.3 -76.5 -66.7 -24.2 72.5 12.1 61 88 A L H <5S+ 0 0 4 -4,-2.5 345,-0.5 -5,-0.2 -3,-0.2 0.777 133.7 24.0 -63.8 -27.4 -24.4 76.2 13.0 62 89 A V T ><5S+ 0 0 60 -4,-1.4 3,-0.9 -5,-0.5 -3,-0.2 0.852 125.2 41.6-104.2 -48.5 -27.1 75.9 15.6 63 90 A D T 344 S+ 0 0 101 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.941 111.6 51.8 -61.9 -49.2 -19.5 75.9 19.4 67 94 A A T 34 S+ 0 0 4 1,-0.3 278,-2.7 2,-0.1 3,-0.4 0.851 114.6 41.4 -57.3 -39.3 -17.9 73.3 17.1 68 95 A F T 3< S+ 0 0 1 -4,-2.0 -1,-0.3 -8,-0.4 -2,-0.2 0.180 85.7 101.0 -96.5 19.3 -18.8 75.3 13.9 69 96 A S < + 0 0 7 -3,-1.7 -1,-0.2 -5,-0.1 275,-0.1 0.399 54.8 110.7 -84.1 4.1 -17.9 78.7 15.4 70 97 A G E -D 343 0B 1 273,-1.4 273,-1.0 -3,-0.4 2,-0.4 -0.415 62.6-133.7 -77.9 155.6 -14.5 78.8 13.7 71 98 A R E -D 342 0B 24 271,-0.3 271,-0.3 -2,-0.1 -2,-0.1 -0.940 16.6-161.5-113.8 130.2 -13.7 81.3 10.9 72 99 A G - 0 0 4 269,-2.7 2,-0.3 -2,-0.4 271,-0.1 0.188 23.5 -97.4 -86.9-151.1 -12.1 80.3 7.6 73 100 A K - 0 0 94 269,-0.2 2,-0.5 9,-0.0 -1,-0.1 -0.934 6.6-144.5-134.7 159.5 -10.4 82.5 5.1 74 101 A I >> - 0 0 9 -2,-0.3 4,-1.8 1,-0.1 3,-1.8 -0.982 26.2-141.9-120.7 111.7 -11.1 84.2 1.8 75 102 A A T 34 S+ 0 0 11 -2,-0.5 -1,-0.1 1,-0.3 113,-0.1 0.779 92.5 54.7 -48.5 -41.5 -7.8 84.1 -0.1 76 103 A V T 34 S+ 0 0 5 111,-0.2 -1,-0.3 1,-0.2 112,-0.0 0.732 120.8 29.5 -73.5 -18.1 -8.0 87.5 -1.8 77 104 A V T X> S+ 0 0 1 -3,-1.8 4,-1.9 2,-0.1 3,-1.6 0.536 94.1 90.0-112.9 -5.0 -8.4 89.4 1.5 78 105 A D H 3X S+ 0 0 43 -4,-1.8 4,-2.9 1,-0.3 -2,-0.1 0.886 81.7 61.8 -57.4 -37.9 -6.5 87.1 3.9 79 106 A P H 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.765 108.1 45.9 -58.9 -22.7 -3.2 88.9 3.3 80 107 A I H <4 S+ 0 0 8 -3,-1.6 -2,-0.2 1,-0.0 -3,-0.1 0.914 125.8 25.7 -84.8 -47.1 -4.9 92.0 4.6 81 108 A F H >< S- 0 0 1 -4,-1.9 3,-2.0 2,-0.1 -3,-0.2 0.894 70.3-178.1 -85.2 -43.6 -6.5 90.5 7.7 82 109 A Q T 3< S- 0 0 131 -4,-2.9 3,-0.1 1,-0.3 -4,-0.1 0.833 82.4 -44.9 41.4 46.7 -4.3 87.6 8.6 83 110 A G T 3 S+ 0 0 21 1,-0.3 7,-0.4 -5,-0.1 2,-0.3 0.565 114.2 112.7 82.4 7.1 -6.5 86.6 11.5 84 111 A Y < + 0 0 81 -3,-2.0 4,-0.4 5,-0.1 -1,-0.3 -0.798 48.4 48.1-109.9 156.5 -7.0 90.1 13.0 85 112 A G S > S- 0 0 0 -2,-0.3 4,-1.1 1,-0.1 179,-0.2 -0.010 97.0 -78.0 95.8 156.9 -10.2 92.2 13.2 86 113 A V T 4 S+ 0 0 7 174,-0.3 -1,-0.1 1,-0.2 12,-0.1 0.828 123.8 50.6 -65.8 -30.2 -13.5 91.0 14.4 87 114 A I T 4 S+ 0 0 32 176,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.952 118.5 31.7 -71.5 -50.3 -14.5 89.1 11.1 88 115 A F T 4 S+ 0 0 12 -4,-0.4 -1,-0.2 2,-0.0 -2,-0.2 0.423 94.8 106.6 -95.6 5.7 -11.5 87.0 10.5 89 116 A A < - 0 0 0 -4,-1.1 2,-0.3 4,-0.1 -5,-0.1 -0.403 47.7-163.6 -80.9 158.9 -10.3 86.4 14.1 90 117 A N >> + 0 0 70 -7,-0.4 4,-1.3 -2,-0.1 3,-0.8 -0.823 47.0 5.5-133.8 169.0 -10.7 83.1 15.9 91 118 A G H 3> S- 0 0 36 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.125 122.5 -12.9 57.8-143.9 -10.5 81.9 19.5 92 119 A E H 3> S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 134.2 58.4 -63.1 -33.5 -10.1 84.3 22.4 93 120 A R H <> S+ 0 0 58 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.949 110.1 43.6 -62.5 -46.9 -9.2 87.2 20.1 94 121 A W H X S+ 0 0 19 -4,-1.3 4,-3.4 1,-0.2 5,-0.4 0.963 113.2 51.5 -61.3 -51.2 -12.6 86.8 18.2 95 122 A R H X S+ 0 0 121 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.898 113.0 45.7 -53.4 -42.7 -14.6 86.4 21.4 96 123 A A H X S+ 0 0 14 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.925 115.2 45.0 -69.4 -44.9 -13.1 89.5 22.9 97 124 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.905 113.9 49.4 -67.8 -39.1 -13.5 91.6 19.8 98 125 A R H X S+ 0 0 39 -4,-3.4 4,-3.0 2,-0.2 5,-0.3 0.936 110.5 49.6 -65.7 -46.8 -17.1 90.5 19.1 99 126 A R H X S+ 0 0 207 -4,-2.0 4,-2.1 -5,-0.4 -1,-0.2 0.928 115.1 44.8 -58.6 -43.6 -18.2 91.1 22.7 100 127 A F H X S+ 0 0 13 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.893 113.3 49.7 -67.6 -40.2 -16.6 94.6 22.6 101 128 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 5,-0.4 0.941 111.8 48.2 -66.7 -45.4 -18.1 95.4 19.1 102 129 A L H X S+ 0 0 69 -4,-3.0 4,-2.9 1,-0.2 3,-0.2 0.951 116.4 43.1 -58.7 -49.2 -21.6 94.3 20.1 103 130 A A H < S+ 0 0 44 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.876 111.6 53.3 -66.6 -36.3 -21.5 96.3 23.3 104 131 A T H < S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.771 121.1 30.9 -73.2 -25.9 -19.9 99.4 21.8 105 132 A M H < S+ 0 0 21 -4,-1.7 10,-0.2 -3,-0.2 -2,-0.2 0.775 106.2 72.2 -96.9 -34.1 -22.5 99.7 19.0 106 133 A R S < S+ 0 0 209 -4,-2.9 2,-0.2 -5,-0.4 -2,-0.2 0.588 118.9 4.8 -57.1 -7.3 -25.4 98.2 21.1 107 134 A D - 0 0 95 -4,-0.4 2,-0.4 -5,-0.1 -1,-0.2 -0.749 54.7-167.9-178.1 125.4 -25.4 101.4 23.0 108 135 A F - 0 0 42 1,-0.4 4,-0.4 -2,-0.2 -4,-0.1 -0.580 47.6-105.3-123.5 74.8 -23.6 104.7 22.9 109 136 A G - 0 0 72 -2,-0.4 -1,-0.4 2,-0.1 2,-0.3 0.277 49.9 -66.0 38.6-167.8 -24.3 106.5 26.1 110 137 A M S S+ 0 0 191 1,-0.1 3,-0.1 -3,-0.1 -3,-0.0 -0.802 111.6 42.9-113.2 155.7 -26.6 109.5 26.4 111 138 A G S S+ 0 0 76 1,-0.5 -1,-0.1 -2,-0.3 2,-0.1 -0.053 100.6 89.5 99.3 -31.0 -26.3 112.9 24.9 112 139 A K S S- 0 0 74 -4,-0.4 -1,-0.5 1,-0.1 2,-0.3 -0.382 89.5 -96.6 -89.1 172.1 -25.2 111.2 21.7 113 140 A R - 0 0 96 -3,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 -0.702 35.8-120.3 -92.7 143.4 -27.5 110.1 18.9 114 141 A S > - 0 0 53 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.246 29.2-105.6 -72.0 169.9 -28.7 106.5 18.8 115 142 A V H > S+ 0 0 35 2,-0.2 4,-2.3 -10,-0.2 5,-0.2 0.923 123.9 53.7 -63.6 -42.5 -28.0 104.3 15.7 116 143 A E H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 108.7 49.2 -57.4 -46.0 -31.6 104.7 14.7 117 144 A E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 109.3 52.0 -61.9 -37.7 -31.3 108.5 14.9 118 145 A R H X S+ 0 0 22 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.879 111.1 47.9 -66.2 -36.8 -28.1 108.5 12.8 119 146 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.896 110.5 50.4 -70.7 -38.2 -29.8 106.5 10.2 120 147 A Q H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.884 110.9 51.0 -64.7 -37.2 -32.9 108.8 10.1 121 148 A E H X S+ 0 0 54 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.922 110.7 46.8 -66.6 -42.4 -30.5 111.7 9.8 122 149 A E H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.886 110.3 53.3 -65.9 -36.3 -28.7 110.1 6.9 123 150 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.896 108.3 51.6 -65.3 -38.6 -32.1 109.2 5.2 124 151 A R H X S+ 0 0 127 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.916 110.1 47.7 -63.0 -43.4 -33.0 112.9 5.6 125 152 A C H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.879 111.2 52.3 -61.5 -38.6 -29.8 113.9 3.8 126 153 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.924 107.3 50.9 -64.8 -42.7 -30.5 111.4 1.1 127 154 A V H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.930 110.7 49.7 -61.9 -43.1 -34.0 112.8 0.5 128 155 A E H X S+ 0 0 86 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.939 111.3 48.5 -61.3 -43.7 -32.5 116.2 0.2 129 156 A E H X S+ 0 0 44 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.930 111.9 48.9 -64.4 -44.7 -29.9 115.0 -2.3 130 157 A L H ><>S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.2 5,-0.7 0.861 105.9 57.4 -63.5 -36.1 -32.5 113.2 -4.4 131 158 A R H ><5S+ 0 0 130 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.881 100.4 59.3 -62.5 -33.7 -34.8 116.2 -4.4 132 159 A K H 3<5S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 94.5 62.2 -64.7 -27.2 -31.8 118.1 -6.0 133 160 A S T X<5S- 0 0 33 -4,-0.8 3,-2.0 -3,-0.7 -1,-0.3 0.629 97.6-143.6 -71.2 -10.4 -31.8 115.6 -8.9 134 161 A K T < 5 - 0 0 196 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.750 64.1 -57.3 52.8 27.6 -35.4 116.9 -9.7 135 162 A G T 3 + 0 0 1 -2,-0.5 4,-2.6 317,-0.5 5,-0.3 0.405 66.7 101.4 -86.9 5.4 -28.2 104.8 -7.7 141 168 A T H > S+ 0 0 19 316,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 82.4 44.4 -54.4 -51.1 -25.0 102.9 -7.1 142 169 A L H > S+ 0 0 90 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.937 115.9 45.0 -65.3 -47.5 -23.0 105.9 -5.7 143 170 A L H > S+ 0 0 28 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.907 113.0 51.0 -66.2 -37.0 -25.6 107.3 -3.4 144 171 A F H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.875 111.4 47.1 -69.6 -33.1 -26.6 103.9 -2.1 145 172 A H H X S+ 0 0 15 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.869 113.0 54.0 -68.9 -33.1 -22.9 103.1 -1.3 146 173 A S H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.915 105.5 48.2 -67.3 -45.5 -22.7 106.7 0.3 147 174 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.908 114.6 44.4 -68.3 -38.7 -25.5 106.4 2.7 148 175 A T H >X S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.2 3,-0.6 0.906 113.4 51.0 -72.5 -38.3 -24.5 103.0 4.1 149 176 A S H 3X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.917 106.3 57.7 -60.8 -41.3 -20.8 104.1 4.4 150 177 A N H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.776 100.1 55.6 -60.4 -28.0 -21.9 107.2 6.2 151 178 A I H S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 6,-1.2 0.919 108.5 50.2 -60.2 -43.8 -18.5 106.6 9.5 154 181 A S H X5S+ 0 0 3 -4,-2.2 4,-0.6 4,-0.2 -1,-0.2 0.915 115.9 42.6 -60.1 -42.4 -20.8 108.1 12.0 155 182 A I H <5S+ 0 0 16 -4,-1.9 82,-2.4 -5,-0.1 -2,-0.2 0.875 127.1 27.5 -73.5 -38.6 -20.4 105.2 14.3 156 183 A V H <5S+ 0 0 0 -4,-3.1 82,-1.3 80,-0.2 83,-0.3 0.858 133.2 29.0 -95.0 -40.3 -16.6 104.8 14.0 157 184 A F H <5S- 0 0 11 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.499 101.3-120.4-100.6 -7.0 -15.3 108.3 13.1 158 185 A G S < - 0 0 89 -2,-0.3 3,-2.2 1,-0.1 6,-0.2 -0.479 34.6-116.9 -67.8 142.9 -21.1 115.3 2.6 163 190 A Y T 3 S+ 0 0 12 1,-0.3 -1,-0.1 -2,-0.1 -17,-0.0 0.714 114.0 49.2 -56.5 -24.9 -22.0 113.3 -0.6 164 191 A K T 3 S+ 0 0 150 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.330 77.7 130.0 -99.5 9.6 -19.7 115.5 -2.7 165 192 A D <> - 0 0 48 -3,-2.2 4,-3.0 1,-0.1 5,-0.3 -0.460 53.6-145.4 -66.1 120.4 -16.7 115.4 -0.5 166 193 A P H > S+ 0 0 101 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.878 99.3 52.1 -53.8 -41.4 -13.6 114.5 -2.6 167 194 A V H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.939 112.2 46.1 -59.8 -47.9 -12.0 112.4 0.3 168 195 A F H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.955 111.2 50.3 -61.8 -52.0 -15.2 110.5 0.7 169 196 A L H X S+ 0 0 59 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.892 110.5 50.6 -57.5 -39.2 -15.7 109.8 -3.0 170 197 A R H X S+ 0 0 121 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.954 112.9 45.7 -63.7 -46.3 -12.1 108.6 -3.3 171 198 A L H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 112.7 51.1 -60.3 -45.0 -12.6 106.2 -0.4 172 199 A L H X S+ 0 0 7 -4,-3.4 4,-2.5 1,-0.2 5,-0.3 0.961 108.1 52.3 -58.2 -49.0 -15.9 105.1 -1.8 173 200 A D H X S+ 0 0 87 -4,-3.3 4,-2.4 -5,-0.2 5,-0.3 0.914 108.3 51.2 -53.4 -44.7 -14.2 104.4 -5.1 174 201 A L H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.908 113.4 44.2 -58.3 -46.8 -11.5 102.2 -3.4 175 202 A F H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.953 114.0 46.7 -64.1 -54.1 -14.1 100.1 -1.6 176 203 A F H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.905 111.1 51.6 -59.0 -43.9 -16.5 99.6 -4.4 177 204 A Q H X S+ 0 0 62 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.927 110.1 52.7 -61.2 -40.0 -13.8 98.7 -6.9 178 205 A S H X S+ 0 0 0 -4,-1.7 4,-3.4 -5,-0.3 -2,-0.2 0.918 106.1 49.9 -63.0 -43.1 -12.6 96.2 -4.3 179 206 A F H X S+ 0 0 15 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.920 110.9 50.8 -62.2 -41.8 -15.9 94.4 -3.8 180 207 A S H < S+ 0 0 23 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.941 114.6 43.2 -60.8 -44.6 -16.3 94.0 -7.6 181 208 A L H >< S+ 0 0 33 -4,-2.3 3,-1.6 1,-0.2 6,-0.5 0.915 108.8 60.6 -66.2 -39.8 -12.8 92.5 -7.8 182 209 A I H 3< S+ 0 0 7 -4,-3.4 268,-0.4 1,-0.3 -1,-0.2 0.811 111.7 35.7 -60.9 -32.6 -13.3 90.4 -4.8 183 210 A S T 3< S+ 0 0 3 -4,-1.7 265,-0.3 -3,-0.3 -1,-0.3 0.270 94.1 119.0-108.1 19.4 -16.2 88.4 -6.2 184 211 A S S <> S- 0 0 12 -3,-1.6 4,-1.1 -4,-0.2 266,-0.1 -0.177 81.6-104.0 -71.8 170.3 -14.9 88.4 -9.8 185 212 A F H >> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.941 121.2 56.3 -61.1 -47.5 -14.1 85.1 -11.6 186 213 A S H 3> S+ 0 0 64 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.905 104.7 51.6 -52.1 -46.5 -10.3 85.7 -11.0 187 214 A S H 3> S+ 0 0 3 -6,-0.5 4,-0.9 1,-0.3 -1,-0.3 0.799 108.1 52.9 -65.2 -26.1 -10.8 86.0 -7.2 188 215 A Q H X S+ 0 0 43 -4,-1.8 4,-1.9 -3,-0.2 3,-1.5 0.902 107.2 59.1 -74.6 -35.2 -9.8 81.0 -9.2 190 217 A F H 3X S+ 0 0 16 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.811 95.7 63.6 -57.8 -29.5 -7.5 82.6 -6.6 191 218 A E H 3< S+ 0 0 30 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.781 108.0 41.8 -65.6 -28.2 -9.5 80.7 -3.9 192 219 A L H << S+ 0 0 20 -3,-1.5 -147,-0.3 -4,-0.6 -146,-0.3 0.872 130.0 20.5 -87.2 -41.2 -8.3 77.4 -5.5 193 220 A F H >X S+ 0 0 35 -4,-1.9 4,-4.3 1,-0.1 3,-0.7 -0.165 74.6 129.2-124.8 43.3 -4.7 78.1 -6.2 194 221 A S H 3X S+ 0 0 42 -4,-0.6 4,-3.7 1,-0.2 5,-0.3 0.934 72.9 61.6 -62.0 -44.7 -3.7 81.0 -4.0 195 222 A G H 34 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.809 120.9 25.4 -49.0 -32.9 -0.7 79.1 -2.8 196 223 A F H X4 S+ 0 0 127 -3,-0.7 3,-1.4 -6,-0.1 -2,-0.2 0.866 125.1 47.2 -97.2 -52.7 0.5 79.1 -6.4 197 224 A L H >< S+ 0 0 48 -4,-4.3 3,-2.5 1,-0.3 -3,-0.2 0.722 91.0 81.7 -66.3 -21.7 -1.2 82.1 -7.9 198 225 A K T 3< S+ 0 0 110 -4,-3.7 -1,-0.3 -5,-0.4 -3,-0.1 0.837 87.0 60.2 -55.4 -26.3 -0.2 84.3 -4.9 199 226 A Y T < S+ 0 0 154 -3,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.537 98.4 71.4 -77.4 -5.7 3.2 84.6 -6.7 200 227 A F S < S- 0 0 79 -3,-2.5 5,-0.1 1,-0.1 -4,-0.0 -0.726 87.1 -96.0-115.1 165.0 1.8 86.2 -9.9 201 228 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.006 64.3 108.0 -61.7 177.3 0.3 89.6 -10.9 202 229 A G S >> S- 0 0 46 1,-0.1 3,-1.0 2,-0.0 4,-0.8 -0.874 80.4 -53.7 143.4-177.5 -3.4 90.0 -11.0 203 230 A T H 3> S+ 0 0 40 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.759 118.0 72.6 -70.1 -25.4 -6.5 91.5 -9.3 204 231 A H H 3> S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.821 98.4 50.7 -59.9 -27.3 -5.5 90.0 -5.9 205 232 A R H <> S+ 0 0 114 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.824 108.3 49.8 -77.0 -34.9 -2.8 92.7 -5.9 206 233 A Q H X S+ 0 0 55 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.876 110.1 51.3 -72.4 -34.4 -5.2 95.5 -6.7 207 234 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.942 111.8 47.3 -64.7 -46.6 -7.5 94.4 -3.9 208 235 A Y H X S+ 0 0 106 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.964 112.6 49.4 -59.4 -50.7 -4.6 94.4 -1.5 209 236 A R H X S+ 0 0 125 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.900 111.7 47.5 -58.6 -41.2 -3.5 97.8 -2.6 210 237 A N H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.938 111.9 48.7 -67.2 -45.2 -6.9 99.3 -2.4 211 238 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.836 109.3 53.5 -66.0 -31.4 -7.6 98.0 1.1 212 239 A Q H X S+ 0 0 62 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.885 105.3 53.8 -71.7 -34.3 -4.2 99.1 2.4 213 240 A E H X S+ 0 0 75 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.879 110.0 48.2 -65.0 -34.0 -4.9 102.6 1.1 214 241 A I H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.912 108.5 53.4 -69.0 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