==== 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 13-JUN-03 1PO5 . COMPND 2 MOLECULE: CYTOCHROME P450 2B4; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR E.E.SCOTT,Y.A.HE,M.R.WESTER,M.A.WHITE,C.C.CHIN,J.R.HALPERT, . 465 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 68.0 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 . 30 6.5 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 . 16 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 0 2 0 1 1 0 0 0 2 1 2 0 0 2 1 0 0 1 0 1 0 0 0 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 . 4 2 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 . 2 0 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 G 0 0 86 0, 0.0 2,-0.4 0, 0.0 352,-0.1 0.000 360.0 360.0 360.0-172.9 12.6 80.9 37.2 2 29 A K - 0 0 146 350,-0.4 352,-2.0 353,-0.0 0, 0.0 -0.928 360.0-111.9-122.1 150.6 10.7 79.7 40.3 3 30 A L - 0 0 42 -2,-0.4 352,-0.1 350,-0.2 37,-0.1 -0.340 53.4 -80.6 -65.2 155.1 11.2 76.6 42.5 4 31 A P - 0 0 5 0, 0.0 36,-0.2 0, 0.0 35,-0.1 -0.155 61.3 -92.3 -51.6 153.5 8.5 73.9 42.4 5 32 A P + 0 0 42 0, 0.0 35,-2.1 0, 0.0 30,-0.1 -0.190 59.3 144.0 -67.2 162.4 5.4 74.8 44.6 6 33 A G - 0 0 21 33,-0.3 35,-0.1 -3,-0.1 2,-0.1 -0.985 52.5 -44.4-178.8 179.4 5.1 73.7 48.2 7 34 A P S S- 0 0 14 0, 0.0 35,-0.2 0, 0.0 11,-0.0 -0.373 71.6 -97.9 -63.3 133.2 3.9 74.6 51.7 8 35 A S - 0 0 103 1,-0.1 2,-0.2 -2,-0.1 34,-0.0 -0.258 43.5-127.7 -52.6 129.8 4.9 78.2 52.6 9 36 A P - 0 0 57 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.498 5.9-126.2 -80.1 144.8 8.0 78.4 54.7 10 37 A L B > -A 14 0A 74 4,-2.1 4,-1.8 -2,-0.2 3,-0.5 -0.721 48.4 -90.1 -77.0 137.5 8.6 80.1 58.0 11 38 A P T 4 S- 0 0 100 0, 0.0 2,-0.4 0, 0.0 34,-0.1 -0.423 104.0 -6.5 -50.9 129.1 11.6 82.4 57.8 12 39 A V T 4 S+ 0 0 119 1,-0.1 33,-0.4 32,-0.1 34,-0.2 -0.166 135.6 52.2 71.7 -21.0 14.7 80.5 58.8 13 40 A L T >4 S- 0 0 38 -3,-0.5 3,-2.1 -2,-0.4 31,-1.2 0.399 83.1-167.0-116.8 6.0 13.2 77.2 59.9 14 41 A G B 3< -AB 10 43A 0 -4,-1.8 -4,-2.1 1,-0.3 3,-0.3 -0.162 64.0 -20.6 49.7-120.5 11.2 76.6 56.8 15 42 A N T > S+ 0 0 15 27,-3.2 3,-0.5 -6,-0.2 -1,-0.3 0.148 101.7 109.7-108.0 20.2 8.6 73.8 57.2 16 43 A L G X S+ 0 0 79 -3,-2.1 3,-0.6 26,-0.3 -1,-0.2 0.866 81.2 47.2 -65.6 -33.0 10.2 72.0 60.2 17 44 A L G 3 S+ 0 0 128 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.703 102.9 64.9 -81.4 -16.7 7.4 73.2 62.5 18 45 A Q G < S+ 0 0 95 -3,-0.5 2,-0.3 -4,-0.1 -1,-0.2 -0.057 75.1 119.1 -97.6 30.1 4.6 72.2 60.2 19 46 A M < - 0 0 122 -3,-0.6 2,-0.3 1,-0.0 5,-0.1 -0.657 58.2-117.4-100.4 159.7 5.1 68.4 60.1 20 47 A D > - 0 0 78 -2,-0.3 3,-1.6 3,-0.2 7,-0.1 -0.657 10.1-141.2-102.0 143.6 2.7 65.8 61.2 21 48 A R T 3 S+ 0 0 245 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.760 98.6 82.2 -62.0 -23.0 2.7 63.2 63.9 22 49 A K T 3 S- 0 0 81 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.738 110.4 -91.4 -49.6 -31.6 1.0 61.2 61.2 23 50 A G <> - 0 0 5 -3,-1.6 4,-2.2 1,-0.1 -3,-0.2 -0.249 24.5 -96.8 118.8 145.7 4.3 60.4 59.6 24 51 A L H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 118.2 47.5 -63.4 -48.3 6.7 61.8 57.0 25 52 A L H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 112.3 48.1 -63.5 -46.5 5.6 59.6 54.1 26 53 A R H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 112.4 51.2 -61.0 -37.9 1.8 60.1 54.7 27 54 A S H X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.885 107.4 51.5 -65.2 -38.6 2.6 63.8 54.9 28 55 A F H X S+ 0 0 26 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.878 107.4 55.2 -64.9 -30.0 4.5 63.7 51.7 29 56 A L H X S+ 0 0 109 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.959 108.2 47.9 -64.2 -45.8 1.4 62.0 50.3 30 57 A R H X S+ 0 0 127 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.935 110.7 49.9 -59.8 -47.1 -0.7 64.9 51.5 31 58 A L H X S+ 0 0 27 -4,-2.8 4,-3.1 1,-0.2 5,-0.5 0.916 108.5 53.3 -63.0 -38.0 1.7 67.5 49.9 32 59 A R H X S+ 0 0 56 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.935 109.0 47.9 -63.1 -41.1 1.7 65.7 46.6 33 60 A E H < S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.900 118.8 42.2 -63.8 -35.2 -2.1 65.7 46.4 34 61 A K H < S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.801 134.4 16.1 -81.2 -31.4 -2.1 69.4 47.3 35 62 A Y H < S- 0 0 67 -4,-3.1 3,-0.3 1,-0.3 -3,-0.2 0.535 105.4-113.2-121.7 -14.3 0.9 70.5 45.1 36 63 A G < - 0 0 30 -4,-3.0 -1,-0.3 -5,-0.5 -2,-0.1 -0.534 51.7 -47.5 102.8-172.1 1.5 67.7 42.6 37 64 A D S S+ 0 0 54 1,-0.2 15,-3.3 -2,-0.2 2,-0.4 0.539 124.6 50.2 -86.2 -5.6 4.3 65.3 42.0 38 65 A V E S+ C 0 51A 8 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.947 73.0 152.0-129.3 110.9 7.2 67.8 42.2 39 66 A F E - C 0 50A 0 11,-1.9 11,-3.4 -2,-0.4 2,-0.4 -0.877 35.9-123.8-134.9 170.4 7.1 70.1 45.2 40 67 A T E - C 0 49A 4 -35,-2.1 2,-0.3 -2,-0.3 9,-0.2 -0.950 19.6-176.1-117.7 130.7 9.5 72.1 47.5 41 68 A V E - C 0 48A 12 7,-2.7 7,-2.5 -2,-0.4 2,-0.7 -0.931 22.1-130.4-120.5 150.6 9.9 71.8 51.3 42 69 A Y E - C 0 47A 62 -2,-0.3 -27,-3.2 5,-0.2 2,-1.2 -0.887 10.7-165.8-105.1 113.2 12.2 74.0 53.4 43 70 A L E > S-BC 14 46A 44 3,-2.5 3,-1.5 -2,-0.7 2,-0.4 -0.818 76.4 -55.2 -89.5 92.8 14.5 72.3 55.9 44 71 A G T 3 S- 0 0 13 -31,-1.2 -31,-0.3 -2,-1.2 -29,-0.1 -0.593 122.1 -16.5 69.4-126.5 15.3 75.5 57.8 45 72 A S T 3 S+ 0 0 70 -2,-0.4 -1,-0.3 -33,-0.4 -32,-0.1 0.548 121.2 91.1 -84.8 -9.6 16.6 78.1 55.2 46 73 A R E < -C 43 0A 127 -3,-1.5 -3,-2.5 -34,-0.2 2,-0.2 -0.792 68.5-139.2-102.4 124.3 17.3 75.5 52.6 47 74 A P E -C 42 0A 28 0, 0.0 313,-0.7 0, 0.0 2,-0.4 -0.478 15.9-165.7 -75.6 144.3 14.8 74.4 49.9 48 75 A V E -Cd 41 360A 3 -7,-2.5 -7,-2.7 -2,-0.2 2,-0.4 -0.999 13.1-139.3-132.8 125.7 14.6 70.7 49.0 49 76 A V E -Cd 40 361A 0 311,-2.6 313,-2.8 -2,-0.4 2,-0.5 -0.763 13.8-154.7 -91.0 132.6 12.9 69.5 45.9 50 77 A V E -Cd 39 362A 0 -11,-3.4 -11,-1.9 -2,-0.4 2,-0.6 -0.937 2.2-158.8-111.6 124.2 10.8 66.3 46.3 51 78 A L E -Cd 38 363A 0 311,-2.8 313,-2.2 -2,-0.5 2,-0.4 -0.907 13.0-169.8-106.3 116.5 10.1 64.1 43.2 52 79 A C + 0 0 4 -15,-3.3 4,-0.5 -2,-0.6 313,-0.1 -0.900 42.1 14.3-115.8 142.8 7.1 61.7 43.4 53 80 A G S > S- 0 0 2 311,-0.5 4,-2.1 -2,-0.4 315,-0.3 0.307 86.7 -80.3 77.6 155.1 5.9 58.9 41.2 54 81 A T H > S+ 0 0 0 313,-0.5 4,-2.7 1,-0.2 5,-0.2 0.869 122.9 51.3 -51.5 -52.3 7.8 56.9 38.5 55 82 A D H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 112.3 42.8 -60.4 -52.6 7.3 59.4 35.7 56 83 A A H > S+ 0 0 1 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.913 116.4 49.5 -62.4 -41.0 8.6 62.5 37.5 57 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.923 113.3 45.0 -66.3 -39.7 11.5 60.6 39.0 58 85 A R H X>S+ 0 0 50 -4,-2.7 5,-2.4 -5,-0.2 4,-2.0 0.887 107.8 58.9 -72.0 -33.8 12.6 59.1 35.7 59 86 A E H <>S+ 0 0 61 -4,-2.4 5,-0.7 -5,-0.2 -1,-0.2 0.865 117.7 33.4 -57.2 -37.8 12.2 62.5 34.0 60 87 A A H X5S+ 0 0 0 -4,-1.7 4,-1.5 3,-0.2 8,-0.3 0.982 125.4 36.3 -80.2 -67.1 14.8 63.8 36.4 61 88 A L H <5S+ 0 0 5 -4,-2.4 345,-0.4 -5,-0.2 -3,-0.2 0.663 134.9 20.3 -67.4 -25.3 17.2 60.9 37.1 62 89 A V T ><5S+ 0 0 65 -4,-2.0 3,-1.3 -5,-0.4 -3,-0.2 0.780 125.8 45.8-110.8 -51.0 17.2 59.4 33.6 63 90 A D T 344 S+ 0 0 91 1,-0.2 3,-2.2 2,-0.2 279,-0.3 0.957 110.7 54.4 -69.5 -48.5 23.8 64.4 34.5 67 94 A A T 34 S+ 0 0 2 1,-0.3 278,-2.1 2,-0.1 3,-0.4 0.841 116.0 40.7 -49.4 -39.7 22.0 67.5 35.9 68 95 A F T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 -8,-0.3 -2,-0.2 0.187 88.8 96.5 -95.6 16.4 20.6 65.3 38.7 69 96 A S < + 0 0 14 -3,-2.2 -1,-0.2 -5,-0.1 275,-0.1 0.514 49.7 123.5 -90.7 -6.0 23.8 63.3 39.3 70 97 A G E -E 343 0A 9 273,-1.2 273,-0.9 -3,-0.4 2,-0.2 -0.131 65.6-115.1 -48.6 145.1 25.0 65.4 42.2 71 98 A R E -E 342 0A 81 271,-0.2 271,-0.2 1,-0.1 -1,-0.1 -0.549 40.3 -92.2 -82.2 155.7 25.7 63.5 45.5 72 99 A G - 0 0 34 269,-0.8 2,-0.5 -2,-0.2 271,-0.2 -0.205 29.6-145.9 -63.7 158.8 23.6 64.4 48.5 73 100 A K > + 0 0 84 269,-0.3 3,-0.5 1,-0.1 4,-0.2 -0.958 16.6 179.5-122.9 107.5 24.7 67.0 51.0 74 101 A I G >> S+ 0 0 137 -2,-0.5 3,-0.6 1,-0.2 4,-0.6 0.492 70.5 85.9 -89.6 0.7 23.6 66.3 54.6 75 102 A A G >4 S+ 0 0 27 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.873 73.7 79.0 -57.1 -38.8 25.3 69.5 55.8 76 103 A V G <4 S+ 0 0 36 -3,-0.5 -1,-0.2 1,-0.3 -31,-0.2 0.789 97.1 37.0 -35.4 -56.7 22.0 71.1 54.8 77 104 A V G <4 S+ 0 0 77 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.599 88.3 121.9 -80.9 -11.1 20.2 69.9 58.0 78 105 A D << - 0 0 70 -3,-1.8 6,-0.1 -4,-0.6 -3,-0.0 -0.302 56.2-149.8 -57.7 118.8 23.3 70.5 60.1 79 106 A P S S+ 0 0 109 0, 0.0 2,-2.8 0, 0.0 -1,-0.2 0.900 73.8 90.3 -54.4 -45.8 22.3 72.9 62.9 80 107 A I + 0 0 106 1,-0.2 3,-0.2 2,-0.1 4,-0.1 -0.247 40.8 127.9 -66.5 73.9 25.8 74.5 63.3 81 108 A F + 0 0 70 -2,-2.8 -1,-0.2 2,-0.2 4,-0.1 0.154 43.1 94.6-111.4 18.1 25.6 77.3 60.8 82 109 A Q S S+ 0 0 190 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.068 112.4 18.6 -91.2 28.0 26.6 80.0 63.2 83 110 A G S S- 0 0 63 -3,-0.2 2,-1.2 2,-0.0 -2,-0.2 0.075 96.1-160.7-165.1 -21.9 30.0 79.2 61.6 84 111 A Y + 0 0 170 -5,-0.1 -2,-0.1 -4,-0.1 -6,-0.0 -0.589 51.1 109.3 68.7 -94.5 28.6 77.5 58.5 85 112 A G - 0 0 30 -2,-1.2 -1,-0.1 1,-0.1 -2,-0.0 0.212 64.0-138.6 21.1-127.7 31.7 75.5 57.4 86 113 A V - 0 0 76 -3,-0.1 -1,-0.1 -5,-0.0 3,-0.1 0.226 25.2-118.0 172.8 -17.3 31.3 71.7 57.9 87 114 A I - 0 0 153 1,-0.2 2,-0.4 2,-0.1 3,-0.1 0.988 41.6-167.9 41.4 84.3 34.6 70.4 59.3 88 115 A F - 0 0 108 1,-0.3 -1,-0.2 0, 0.0 7,-0.1 -0.388 43.9 -69.1-107.0 42.1 34.9 68.3 56.2 89 116 A A S S- 0 0 50 -2,-0.4 -1,-0.3 -3,-0.1 5,-0.2 0.678 88.6 -48.9 63.2 118.8 37.7 65.9 56.9 90 117 A N S > S- 0 0 124 4,-0.1 4,-0.9 -3,-0.1 3,-0.3 0.080 94.3 -77.1 -29.6 86.5 41.2 67.6 57.0 91 118 A G H >> S- 0 0 18 1,-0.2 3,-1.5 2,-0.2 4,-1.1 0.328 86.6 -19.5 53.6-165.5 41.2 69.7 53.8 92 119 A E H 3> S+ 0 0 131 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.739 126.3 65.4 -41.2 -35.5 41.7 69.2 50.1 93 120 A R H 3> S+ 0 0 150 -3,-0.3 4,-3.2 1,-0.2 -1,-0.3 0.943 97.2 51.5 -59.5 -48.9 43.3 65.8 50.8 94 121 A W H < S+ 0 0 46 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.936 118.6 42.1 -64.1 -46.1 35.0 50.9 44.6 106 133 A R H 3< S+ 0 0 125 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.611 122.1 42.4 -71.1 -19.8 34.2 51.7 41.0 107 134 A D H 3< S+ 0 0 95 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.259 85.8 118.3-113.6 5.0 37.5 50.1 40.0 108 135 A F S << S- 0 0 53 -3,-0.5 129,-0.1 -4,-0.5 -4,-0.0 -0.734 76.8-101.6 -84.4 121.4 37.2 47.1 42.2 109 136 A G - 0 0 53 -2,-0.6 -1,-0.1 127,-0.1 -2,-0.1 -0.096 23.6-151.9 -42.7 109.2 37.1 43.8 40.3 110 137 A M + 0 0 126 1,-0.1 5,-0.3 4,-0.0 -1,-0.1 0.954 17.9 177.7 -48.9 -64.1 33.7 42.4 40.0 111 138 A G >> - 0 0 36 3,-0.1 4,-2.8 1,-0.1 3,-1.3 0.941 10.3-173.1 50.6 51.5 34.8 38.7 39.7 112 139 A K H 3> S+ 0 0 128 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.813 80.0 50.8 -45.5 -42.3 31.1 37.9 39.6 113 140 A R H 3> S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.855 111.1 48.8 -69.4 -30.4 31.8 34.2 39.7 114 141 A S H <> S+ 0 0 48 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.925 113.2 46.4 -77.3 -35.4 34.1 34.8 42.7 115 142 A V H X S+ 0 0 18 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.947 113.1 50.3 -66.9 -41.1 31.4 36.9 44.4 116 143 A E H X S+ 0 0 10 -4,-3.2 4,-2.8 -5,-0.3 -1,-0.2 0.922 110.1 51.3 -59.1 -41.8 28.9 34.1 43.6 117 144 A E H X S+ 0 0 124 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 108.3 50.4 -59.4 -47.1 31.2 31.6 45.0 118 145 A R H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.851 112.1 48.2 -59.4 -38.6 31.6 33.5 48.3 119 146 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.932 108.8 52.0 -76.3 -37.6 27.8 33.8 48.6 120 147 A Q H X S+ 0 0 56 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.911 111.0 50.0 -55.1 -40.2 27.2 30.1 47.9 121 148 A E H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 110.9 47.5 -68.1 -43.3 29.8 29.3 50.6 122 149 A E H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.915 109.6 54.5 -61.3 -42.9 28.0 31.7 53.0 123 150 A A H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.899 107.5 49.7 -59.8 -40.8 24.7 30.1 52.1 124 151 A R H X S+ 0 0 135 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.928 110.3 50.1 -60.0 -42.8 26.1 26.6 53.0 125 152 A C H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.884 109.9 51.8 -64.8 -37.9 27.4 27.8 56.3 126 153 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.927 106.5 53.0 -64.2 -42.9 23.9 29.3 57.0 127 154 A V H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.930 108.2 50.5 -60.4 -41.6 22.2 26.0 56.2 128 155 A E H X S+ 0 0 98 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.903 111.2 48.6 -63.9 -39.7 24.4 24.2 58.7 129 156 A E H X S+ 0 0 50 -4,-2.0 4,-0.8 1,-0.2 3,-0.2 0.956 111.8 49.2 -63.2 -47.0 23.6 26.8 61.4 130 157 A L H >< S+ 0 0 2 -4,-3.0 3,-1.5 1,-0.2 5,-0.5 0.929 106.5 55.5 -60.4 -42.3 19.9 26.5 60.7 131 158 A R H >< S+ 0 0 75 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.865 101.8 59.5 -57.4 -35.8 20.0 22.7 60.8 132 159 A K H 3< S+ 0 0 111 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.742 91.0 68.2 -63.7 -24.9 21.5 22.9 64.3 133 160 A S T X< S- 0 0 30 -3,-1.5 3,-2.3 -4,-0.8 -1,-0.3 0.585 93.0-146.5 -73.9 -13.7 18.5 24.9 65.6 134 161 A K T < - 0 0 188 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.823 65.5 -55.0 50.3 40.3 16.4 21.7 65.1 135 162 A G T 3 S+ 0 0 9 326,-0.6 -1,-0.3 -5,-0.5 327,-0.1 0.611 93.2 157.8 72.7 13.8 13.4 23.7 64.2 136 163 A A < - 0 0 47 -3,-2.3 325,-0.4 1,-0.1 -1,-0.2 -0.316 51.7 -97.9 -64.4 150.3 13.4 25.8 67.4 137 164 A L + 0 0 56 323,-0.1 2,-0.3 321,-0.1 323,-0.2 -0.451 57.5 169.2 -64.7 139.2 11.6 29.1 67.3 138 165 A L B -G 459 0B 38 321,-2.0 321,-1.8 -2,-0.1 2,-0.6 -0.993 44.2-119.9-149.4 164.2 14.1 31.9 66.7 139 166 A D - 0 0 71 -2,-0.3 3,-0.4 319,-0.2 4,-0.4 -0.911 25.0-161.9 -95.3 118.0 14.6 35.5 65.8 140 167 A N > + 0 0 0 -2,-0.6 4,-2.6 317,-0.4 5,-0.3 0.400 62.9 101.7 -86.6 9.3 16.5 35.5 62.5 141 168 A T H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 82.9 42.2 -58.2 -53.5 17.7 39.1 62.9 142 169 A L H > S+ 0 0 97 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.904 114.6 50.4 -65.8 -41.4 21.2 38.4 64.0 143 170 A L H > S+ 0 0 35 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.914 110.0 50.3 -59.0 -43.0 21.8 35.5 61.5 144 171 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.888 112.0 46.6 -71.2 -31.5 20.6 37.6 58.6 145 172 A H H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.850 111.7 55.3 -71.3 -29.9 22.9 40.5 59.6 146 173 A S H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 108.3 44.5 -65.3 -49.3 25.7 37.9 60.0 147 174 A I H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.929 116.0 46.2 -68.9 -39.6 25.4 36.4 56.5 148 175 A T H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.920 114.4 46.2 -69.8 -42.1 25.2 39.8 54.8 149 176 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.874 108.0 59.1 -65.3 -34.7 28.1 41.3 56.7 150 177 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.814 100.3 55.6 -67.6 -30.0 30.2 38.2 56.1 151 178 A I H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.948 109.2 46.5 -64.4 -43.3 29.8 38.7 52.3 152 179 A I H X S+ 0 0 15 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.926 111.1 53.0 -62.2 -43.3 31.3 42.1 52.7 153 180 A C H X>S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.905 108.7 49.4 -56.5 -43.7 34.0 40.7 54.9 154 181 A S H X5S+ 0 0 7 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.877 113.0 46.6 -67.1 -35.7 34.9 38.1 52.3 155 182 A I H <5S+ 0 0 19 -4,-2.1 82,-2.8 -5,-0.2 -1,-0.2 0.725 120.5 38.6 -76.2 -22.2 35.1 40.7 49.5 156 183 A V H <5S+ 0 0 1 -4,-1.6 82,-1.7 80,-0.2 83,-0.3 0.915 131.6 22.7 -93.3 -51.0 37.2 43.1 51.7 157 184 A F H <5S- 0 0 18 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.553 106.4-113.5 -95.1 -13.5 39.6 40.8 53.5 158 185 A G S < - 0 0 92 -2,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.502 39.9-112.3 -59.4 143.5 33.5 32.2 61.4 163 190 A Y T 3 S+ 0 0 15 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.791 116.1 41.4 -60.9 -25.0 30.2 33.4 62.9 164 191 A K T 3 S+ 0 0 135 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.204 78.0 135.6-112.8 25.3 31.7 33.4 66.4 165 192 A D <> - 0 0 51 -3,-2.0 4,-2.6 1,-0.2 3,-0.5 -0.508 60.4-129.6 -64.3 128.7 35.1 34.9 65.5 166 193 A P H > S+ 0 0 83 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.885 107.9 48.9 -55.0 -38.7 35.8 37.5 68.2 167 194 A V H > S+ 0 0 22 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.870 110.6 50.8 -69.8 -34.5 36.6 40.2 65.6 168 195 A F H > S+ 0 0 0 -3,-0.5 4,-2.4 -6,-0.2 5,-0.2 0.856 108.7 52.7 -66.2 -39.3 33.4 39.4 63.6 169 196 A L H X S+ 0 0 81 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.885 106.1 52.8 -68.5 -33.7 31.4 39.7 66.8 170 197 A R H X S+ 0 0 47 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.896 108.0 51.4 -65.4 -36.4 32.9 43.1 67.5 171 198 A L H X S+ 0 0 5 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.975 111.1 47.1 -61.9 -51.1 31.9 44.2 64.0 172 199 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.902 110.7 53.2 -57.0 -38.9 28.3 43.0 64.6 173 200 A D H X S+ 0 0 68 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.909 104.0 55.4 -66.1 -35.5 28.3 44.8 67.9 174 201 A L H X S+ 0 0 5 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.900 104.7 54.3 -61.2 -38.5 29.4 48.0 66.2 175 202 A F H >X>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 4,-0.6 0.928 109.1 48.3 -58.3 -49.4 26.3 47.7 64.0 176 203 A F H ><5S+ 0 0 117 -4,-2.1 3,-1.2 4,-0.2 5,-0.3 0.918 110.7 50.9 -53.9 -47.7 24.2 47.4 67.1 177 204 A Q H 3<5S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.691 113.3 45.0 -68.8 -21.2 25.9 50.5 68.6 178 205 A S H <<5S- 0 0 58 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.381 118.0-108.8-103.6 0.0 25.3 52.5 65.5 179 206 A F T X<5S+ 0 0 102 -3,-1.2 3,-0.5 -4,-0.6 -3,-0.2 0.372 86.2 120.8 86.8 3.8 21.6 51.4 65.1 180 207 A S T 3 - 0 0 14 -2,-0.2 4,-0.5 270,-0.1 3,-0.4 -0.733 46.6 -80.9-134.3-174.2 14.2 45.6 65.5 184 211 A S T 4 S+ 0 0 21 270,-0.3 3,-0.2 1,-0.2 4,-0.2 0.805 129.3 38.7 -59.7 -40.0 10.6 46.4 66.3 185 212 A F T >> S+ 0 0 98 1,-0.2 4,-2.4 2,-0.1 3,-1.0 0.575 88.9 97.4 -87.1 -16.5 11.2 46.9 70.0 186 213 A S H 3> S+ 0 0 22 -3,-0.4 4,-3.6 1,-0.3 5,-0.3 0.842 80.5 53.1 -44.9 -46.5 14.6 48.6 69.7 187 214 A S H 3X S+ 0 0 52 -4,-0.5 4,-1.9 -3,-0.2 -1,-0.3 0.897 110.7 45.9 -67.3 -34.7 13.2 52.1 70.1 188 215 A Q H <> S+ 0 0 152 -3,-1.0 4,-2.4 -4,-0.2 -1,-0.2 0.845 112.6 52.7 -74.6 -29.2 11.4 51.2 73.3 189 216 A V H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.979 110.9 45.5 -63.4 -50.9 14.6 49.5 74.5 190 217 A F H < S+ 0 0 66 -4,-3.6 7,-0.2 1,-0.2 -2,-0.2 0.908 113.2 52.3 -55.2 -39.5 16.6 52.6 73.7 191 218 A E H >< S+ 0 0 134 -4,-1.9 3,-1.0 -5,-0.3 4,-0.2 0.918 107.6 49.4 -65.5 -42.2 13.9 54.7 75.5 192 219 A L H 3< S+ 0 0 140 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.870 119.2 39.7 -58.5 -45.7 14.0 52.5 78.6 193 220 A F T >X S+ 0 0 115 -4,-2.4 4,-2.4 1,-0.2 3,-0.8 0.247 81.9 115.9 -90.0 12.7 17.8 52.9 78.7 194 221 A S H <>>S+ 0 0 52 -3,-1.0 4,-2.5 1,-0.3 5,-0.6 0.840 72.8 53.3 -57.5 -35.7 17.8 56.5 77.6 195 222 A G H 3>>S+ 0 0 42 -3,-0.4 5,-2.1 -4,-0.2 4,-1.2 0.907 113.7 44.0 -67.4 -35.9 19.3 57.8 80.9 196 223 A F H <45S+ 0 0 96 -3,-0.8 6,-2.7 3,-0.2 -2,-0.2 0.920 119.6 41.2 -63.9 -51.3 22.2 55.3 80.6 197 224 A L H <5S+ 0 0 42 -4,-2.4 6,-0.5 -7,-0.2 -2,-0.2 0.810 128.8 23.8 -73.6 -36.2 22.8 55.9 76.9 198 225 A K H <5S+ 0 0 157 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.690 130.0 31.6-108.3 -24.8 22.4 59.7 76.7 199 226 A H T < S+ 0 0 43 -6,-0.5 4,-2.6 2,-0.1 5,-0.3 0.406 92.9 101.1-121.4 -2.0 28.2 54.3 75.0 204 231 A H H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 82.5 54.4 -55.2 -38.8 31.3 56.1 73.6 205 232 A R H > S+ 0 0 195 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.959 112.1 42.7 -59.1 -46.6 33.6 54.0 75.8 206 233 A Q H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.881 115.1 49.5 -67.8 -33.5 32.1 50.7 74.5 207 234 A I H X S+ 0 0 46 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.913 109.4 53.4 -70.6 -39.3 32.1 52.0 70.9 208 235 A Y H X S+ 0 0 147 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.930 107.9 49.0 -58.0 -49.6 35.8 53.1 71.3 209 236 A R H X S+ 0 0 149 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.882 111.5 50.2 -63.7 -35.4 36.9 49.7 72.4 210 237 A N H X S+ 0 0 15 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.963 111.4 48.0 -65.3 -47.2 35.1 48.0 69.5 211 238 A L H X S+ 0 0 49 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.872 107.9 54.8 -63.3 -34.7 36.7 50.4 67.0 212 239 A Q H X S+ 0 0 75 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.939 109.9 46.4 -63.0 -44.3 40.1 49.9 68.4 213 240 A E H X S+ 0 0 49 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.883 115.3 46.5 -62.1 -41.7 39.9 46.1 68.0 214 241 A I H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.915 112.4 50.8 -66.7 -47.2 38.5 46.5 64.5 215 242 A N H X S+ 0 0 48 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.914 110.0 49.7 -55.6 -43.5 41.2 49.1 63.6 216 243 A T H X S+ 0 0 67 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.960 111.3 49.6 -62.4 -46.7 43.9 46.7 64.9 217 244 A F H X S+ 0 0 54 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 111.5 48.0 -55.1 -51.2 42.5 43.9 62.8 218 245 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.950 110.6 50.4 -60.2 -50.7 42.3 46.0 59.7 219 246 A G H X S+ 0 0 12 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.888 112.7 47.2 -52.9 -43.7 45.9 47.3 60.0 220 247 A Q H X S+ 0 0 119 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.877 111.9 50.6 -65.9 -39.4 47.2 43.7 60.5 221 248 A S H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.898 107.3 54.0 -67.5 -36.5 45.2 42.5 57.6 222 249 A V H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.914 109.6 48.0 -61.8 -42.9 46.6 45.3 55.4 223 250 A E H X S+ 0 0 102 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.895 111.9 47.9 -64.6 -43.0 50.2 44.3 56.3 224 251 A K H < S+ 0 0 156 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.838 113.2 50.0 -69.4 -33.5 49.5 40.6 55.6 225 252 A H H >< S+ 0 0 12 -4,-2.2 3,-1.3 -5,-0.2 4,-0.4 0.921 110.2 48.9 -64.9 -48.9 47.9 41.7 52.3 226 253 A R H >< S+ 0 0 55 -4,-2.8 3,-1.1 1,-0.3 -2,-0.2 0.896 106.3 57.9 -62.2 -36.4 50.9 43.9 51.3 227 254 A A T 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.666 118.9 29.8 -67.9 -17.2 53.3 41.1 52.1 228 255 A T T < S+ 0 0 81 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.274 85.4 147.1-127.6 18.0 51.6 38.8 49.6 229 256 A L < - 0 0 38 -3,-1.1 3,-0.1 -4,-0.4 -3,-0.1 -0.278 23.2-174.2 -64.4 136.0 50.3 41.3 47.0 230 257 A D > - 0 0 78 3,-0.2 3,-2.2 1,-0.1 13,-0.1 -0.944 15.9-156.9-133.0 108.2 50.2 40.2 43.4 231 258 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 94.7 57.0 -60.8 -25.9 49.2 42.8 40.8 232 259 A S T 3 S+ 0 0 110 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.670 116.5 34.2 -79.5 -11.3 48.1 40.1 38.4 233 260 A N S < S- 0 0 100 -3,-2.2 -1,-0.2 6,-0.0 -3,-0.2 -0.455 70.4-171.8-141.6 66.6 45.7 38.6 40.9 234 261 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.435 8.8-164.8 -58.0 129.9 44.0 41.2 43.2 235 262 A R - 0 0 89 1,-0.1 2,-0.2 -2,-0.1 -77,-0.1 0.734 54.7 -23.0 -90.2 -27.7 42.2 39.1 45.8 236 263 A D S > S- 0 0 3 -80,-0.1 4,-1.9 -79,-0.1 -80,-0.2 -0.880 85.4 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