==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-09 3KW4 . COMPND 2 MOLECULE: CYTOCHROME P450 2B4; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR S.C.GAY,K.MAEKAWA,A.G.ROBERTS,W.-X.HONG,Q.ZHANG,C.D.STOUT,J. . 466 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 70.0 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 . 32 6.9 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 . 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 . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 1 0 0 1 0 0 1 1 1 2 2 1 2 2 0 0 0 0 0 1 0 0 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 . 4 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 27 A K 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.4 19.2 9.3 39.1 2 28 A G - 0 0 39 352,-0.0 348,-0.0 1,-0.0 0, 0.0 0.919 360.0-167.5 -75.9 -49.1 19.7 12.8 37.5 3 29 A K - 0 0 148 351,-0.1 352,-2.9 2,-0.0 -1,-0.0 0.181 18.4 -53.0 89.2 166.7 16.2 13.9 38.5 4 30 A L - 0 0 43 350,-0.2 37,-0.1 1,-0.1 352,-0.1 -0.384 67.0 -87.8 -71.6 153.0 13.6 16.7 38.0 5 31 A P - 0 0 6 0, 0.0 36,-0.2 0, 0.0 35,-0.2 -0.084 59.1 -77.6 -57.0 164.6 14.5 20.4 38.4 6 32 A P + 0 0 44 0, 0.0 35,-2.2 0, 0.0 30,-0.1 -0.155 67.3 133.9 -60.4 156.9 14.2 22.0 41.8 7 33 A G - 0 0 31 33,-0.2 35,-0.1 -3,-0.1 -3,-0.0 -0.845 50.8 -55.4 166.2 164.6 10.9 23.0 43.2 8 34 A P - 0 0 6 0, 0.0 35,-0.2 0, 0.0 8,-0.0 0.078 58.4-101.0 -53.9 153.8 8.4 23.1 46.2 9 35 A S - 0 0 106 33,-0.1 2,-0.2 7,-0.1 33,-0.0 -0.716 42.3-139.6 -83.3 123.3 7.2 20.0 47.9 10 36 A P - 0 0 49 0, 0.0 6,-0.2 0, 0.0 36,-0.0 -0.474 2.3-137.1 -81.2 148.9 3.7 18.8 46.7 11 37 A L B > -A 15 0A 80 4,-2.2 4,-1.4 -2,-0.2 2,-0.2 -0.647 42.1 -92.1 -85.4 157.7 0.8 17.4 48.5 12 38 A P T 4 S- 0 0 114 0, 0.0 2,-2.4 0, 0.0 34,-0.1 -0.586 105.9 -5.3 -67.3 137.5 -1.1 14.5 47.0 13 39 A V T 4 S+ 0 0 83 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.405 132.3 62.0 78.9 -65.0 -4.0 15.7 44.8 14 40 A L T >4 S- 0 0 63 -2,-2.4 3,-1.7 1,-0.2 31,-0.6 0.769 81.6-177.5 -57.5 -29.5 -3.5 19.4 45.8 15 41 A G B 3< -AB 11 44A 1 -4,-1.4 -4,-2.2 1,-0.2 3,-0.3 -0.402 64.8 -23.6 58.8-131.2 -0.0 19.4 44.3 16 42 A N T >> S+ 0 0 0 27,-2.9 3,-3.4 -6,-0.2 4,-0.6 0.214 96.1 125.3 -97.7 15.8 1.7 22.8 44.8 17 43 A L G X4 + 0 0 65 -3,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.816 68.8 58.3 -40.8 -45.4 -1.6 24.7 45.2 18 44 A L G 34 S+ 0 0 124 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.553 106.9 49.3 -70.3 -5.0 -0.5 26.1 48.6 19 45 A Q G <4 S+ 0 0 63 -3,-3.4 -1,-0.3 2,-0.1 -2,-0.2 0.456 93.0 97.4-107.1 -6.8 2.5 27.7 46.9 20 46 A M S << S- 0 0 29 -3,-1.5 2,-0.4 -4,-0.6 5,-0.1 -0.174 75.0-115.4 -75.4 176.0 0.6 29.3 44.1 21 47 A D > - 0 0 31 3,-0.4 3,-1.8 1,-0.1 7,-0.3 -0.921 11.1-131.0-117.3 139.2 -0.5 32.9 44.0 22 48 A R T 3 S+ 0 0 89 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.778 101.8 71.0 -59.5 -25.5 -4.1 34.1 44.0 23 49 A K T 3 S- 0 0 164 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.492 112.0 -92.8 -72.0 -4.6 -3.4 36.4 41.1 24 50 A G <> - 0 0 7 -3,-1.8 4,-1.9 1,-0.1 -3,-0.4 -0.575 48.3 -51.9 121.0 176.6 -3.0 33.5 38.6 25 51 A L H > S+ 0 0 7 2,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.823 125.5 53.3 -60.2 -37.3 -0.6 31.1 37.0 26 52 A L H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.991 108.8 45.4 -68.9 -59.3 1.8 33.8 35.8 27 53 A R H > S+ 0 0 92 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.856 113.2 54.8 -50.8 -37.6 2.4 35.5 39.2 28 54 A S H X S+ 0 0 1 -4,-1.9 4,-2.6 -7,-0.3 -1,-0.2 0.975 108.7 45.7 -57.6 -56.8 2.8 32.0 40.6 29 55 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.884 114.5 49.1 -54.9 -41.3 5.5 31.1 38.2 30 56 A L H X S+ 0 0 41 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.934 109.8 49.6 -71.0 -41.5 7.2 34.4 38.7 31 57 A R H X S+ 0 0 132 -4,-3.0 4,-1.1 -5,-0.2 -2,-0.2 0.915 112.3 49.7 -55.7 -41.5 7.1 34.1 42.5 32 58 A L H X S+ 0 0 11 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.802 103.0 60.9 -72.8 -28.3 8.5 30.6 42.2 33 59 A R H X S+ 0 0 72 -4,-1.7 4,-3.2 -5,-0.2 -1,-0.2 0.957 99.0 55.8 -58.9 -51.9 11.3 31.8 40.0 34 60 A E H < S+ 0 0 163 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 118.1 35.2 -49.9 -38.1 12.6 34.1 42.7 35 61 A K H < S+ 0 0 166 -4,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.955 133.0 22.0 -81.3 -52.4 12.9 31.1 45.0 36 62 A Y H < S- 0 0 73 -4,-3.2 3,-0.4 1,-0.3 -3,-0.2 0.492 100.9-127.4-103.2 -7.4 13.9 28.3 42.7 37 63 A G < - 0 0 26 -4,-3.2 -1,-0.3 -5,-0.4 3,-0.1 -0.509 49.9 -36.5 92.9-162.0 15.4 30.0 39.7 38 64 A D S S+ 0 0 55 1,-0.2 15,-2.6 -2,-0.2 2,-0.4 0.513 125.2 46.5 -87.2 -6.9 14.8 29.8 36.0 39 65 A V E S+ C 0 52A 9 -3,-0.4 2,-0.3 13,-0.2 -1,-0.2 -0.831 73.6 143.8-139.3 101.3 14.2 26.1 35.8 40 66 A F E - C 0 51A 0 11,-1.4 11,-2.3 -2,-0.4 2,-0.5 -0.808 42.0-124.3-133.6 172.8 11.8 24.5 38.3 41 67 A T E - C 0 50A 6 -35,-2.2 2,-0.4 -2,-0.3 9,-0.2 -0.973 24.3-178.8-117.5 128.8 9.2 21.9 38.7 42 68 A V E - C 0 49A 0 7,-2.4 7,-2.5 -2,-0.5 2,-0.8 -0.997 24.9-131.4-127.7 135.6 5.8 22.8 40.0 43 69 A Y E - C 0 48A 65 -2,-0.4 -27,-2.9 5,-0.3 2,-0.8 -0.799 15.0-162.1 -88.4 109.6 3.1 20.2 40.5 44 70 A L E > S-BC 15 47A 1 3,-2.1 3,-1.4 -2,-0.8 2,-0.4 -0.834 73.1 -45.4 -89.8 108.0 -0.2 21.4 39.0 45 71 A G T 3 S- 0 0 3 -2,-0.8 -29,-0.2 -31,-0.6 -28,-0.1 -0.570 122.2 -30.7 56.8-120.3 -2.7 19.1 40.7 46 72 A S T 3 S+ 0 0 97 -2,-0.4 -1,-0.2 147,-0.3 -32,-0.1 0.605 122.2 86.7-104.4 -16.5 -1.0 15.8 40.4 47 73 A R E < S-C 44 0A 67 -3,-1.4 -3,-2.1 146,-0.2 2,-0.2 -0.743 73.3-136.2 -90.5 131.3 0.9 16.2 37.2 48 74 A P E -C 43 0A 38 0, 0.0 313,-0.6 0, 0.0 2,-0.4 -0.573 20.4-165.5 -85.3 148.4 4.3 17.8 37.4 49 75 A V E -Cd 42 361A 0 -7,-2.5 -7,-2.4 -2,-0.2 2,-0.6 -0.983 17.2-133.0-133.6 149.4 5.4 20.5 35.0 50 76 A V E -Cd 41 362A 0 311,-3.1 313,-2.7 -2,-0.4 2,-0.5 -0.873 20.9-157.3-102.0 122.0 8.7 22.2 34.1 51 77 A V E -Cd 40 363A 0 -11,-2.3 -11,-1.4 -2,-0.6 2,-0.6 -0.830 1.1-158.6 -99.0 129.4 8.6 25.9 34.0 52 78 A L E +Cd 39 364A 0 311,-2.5 313,-2.7 -2,-0.5 2,-0.3 -0.938 14.2 177.9-107.1 120.2 11.2 27.8 31.9 53 79 A C + 0 0 0 -15,-2.6 4,-0.4 -2,-0.6 313,-0.1 -0.904 42.5 34.7-118.5 153.2 11.9 31.4 32.7 54 80 A G S > S- 0 0 2 311,-0.4 4,-2.0 -2,-0.3 315,-0.3 0.093 84.9 -92.5 88.2 153.0 14.4 33.8 31.2 55 81 A T H > S+ 0 0 1 313,-0.3 4,-3.3 2,-0.2 5,-0.2 0.933 121.2 52.6 -64.5 -47.7 15.6 34.1 27.6 56 82 A D H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.949 112.8 43.6 -56.2 -53.0 18.6 31.8 28.1 57 83 A A H > S+ 0 0 0 -4,-0.4 4,-1.6 1,-0.2 5,-0.2 0.931 114.2 50.0 -63.2 -45.6 16.7 29.0 29.6 58 84 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.3 0.961 112.8 47.5 -55.8 -51.4 13.9 29.3 27.1 59 85 A R H X>S+ 0 0 47 -4,-3.3 4,-2.2 1,-0.2 5,-1.7 0.862 106.2 56.3 -58.5 -42.8 16.4 29.3 24.1 60 86 A E H <>S+ 0 0 63 -4,-2.6 5,-1.7 -5,-0.2 -1,-0.2 0.878 115.8 37.7 -58.7 -38.9 18.4 26.3 25.3 61 87 A A H <5S+ 0 0 0 -4,-1.6 8,-0.4 -3,-0.3 -2,-0.2 0.953 124.6 36.1 -76.8 -51.5 15.3 24.2 25.4 62 88 A L H <5S+ 0 0 4 -4,-2.9 345,-0.5 -5,-0.2 -3,-0.2 0.885 131.3 21.3 -79.2 -40.4 13.4 25.4 22.4 63 89 A V T ><5S+ 0 0 67 -4,-2.2 3,-1.1 -5,-0.3 -3,-0.2 0.901 128.7 40.5 -90.6 -56.0 16.2 26.1 19.9 64 90 A D T 3 >4 S+ 0 0 82 -3,-0.2 3,-2.3 1,-0.2 -1,-0.2 0.890 105.6 58.8 -82.9 -40.3 13.2 18.5 18.9 68 94 A A T <4 S+ 0 0 3 -3,-0.6 278,-2.7 1,-0.3 3,-0.4 0.894 115.2 40.1 -53.7 -37.9 13.2 17.2 22.4 69 95 A F T 3< S+ 0 0 2 -4,-1.7 -1,-0.3 -8,-0.4 -2,-0.2 0.078 82.3 106.7 -98.6 22.3 10.8 20.1 23.2 70 96 A S < + 0 0 3 -3,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.454 56.8 110.9 -80.3 2.7 8.8 19.8 20.0 71 97 A G E -E 344 0A 1 273,-1.3 273,-1.7 -3,-0.4 2,-0.5 -0.480 58.1-144.4 -85.8 150.8 5.9 18.3 21.9 72 98 A R E -E 343 0A 24 271,-0.3 271,-0.3 -2,-0.2 2,-0.1 -0.947 11.1-161.4-115.0 124.2 2.6 20.0 22.7 73 99 A G - 0 0 5 269,-1.2 2,-0.2 -2,-0.5 271,-0.1 -0.355 27.2 -92.3 -91.0 179.1 0.6 19.5 25.9 74 100 A K - 0 0 123 -2,-0.1 2,-0.6 269,-0.1 -1,-0.1 -0.539 12.4-138.7 -95.8 157.3 -3.1 20.2 26.5 75 101 A I >> - 0 0 16 -2,-0.2 3,-2.0 1,-0.2 4,-1.6 -0.971 24.6-140.0-105.5 117.8 -5.2 23.1 27.8 76 102 A A G >4 S+ 0 0 13 -2,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.867 95.0 51.4 -47.3 -51.3 -7.8 21.6 30.1 77 103 A V G 34 S+ 0 0 4 111,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.623 120.4 32.8 -66.5 -14.4 -10.7 23.8 29.1 78 104 A V G X> S+ 0 0 0 -3,-2.0 4,-2.4 2,-0.1 3,-0.7 0.483 91.1 90.8-120.2 -5.9 -10.3 23.1 25.4 79 105 A D H < S- 0 0 0 -4,-2.4 3,-3.6 1,-0.1 -3,-0.2 0.847 74.9-176.4 -77.6 -36.0 -9.6 19.4 20.3 83 109 A Q T 3< S- 0 0 116 -4,-3.5 3,-0.1 -5,-0.3 -4,-0.1 0.664 77.9 -52.5 51.3 19.9 -8.9 16.0 21.8 84 110 A G T 3 S+ 0 0 23 1,-0.4 7,-0.3 -5,-0.1 -1,-0.3 0.448 113.8 115.4 95.9 0.7 -5.5 16.0 20.2 85 111 A Y <> + 0 0 57 -3,-3.6 4,-0.6 5,-0.1 -1,-0.4 -0.542 44.7 46.0 -98.5 170.7 -6.6 16.8 16.7 86 112 A G H > S- 0 0 0 -2,-0.2 4,-1.3 1,-0.1 179,-0.2 0.027 96.9 -71.1 81.3 165.2 -5.9 19.8 14.6 87 113 A V H 4 S+ 0 0 9 174,-0.2 3,-0.2 1,-0.2 12,-0.1 0.920 125.5 47.0 -65.5 -43.1 -2.7 21.6 13.9 88 114 A I H 4 S+ 0 0 25 176,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.936 119.5 33.7 -62.1 -48.2 -2.2 23.2 17.4 89 115 A F H < S+ 0 0 14 -4,-0.6 -1,-0.2 2,-0.0 -2,-0.2 0.473 93.5 102.6-101.7 0.7 -2.9 20.3 19.7 90 116 A A < - 0 0 0 -4,-1.3 2,-0.2 -3,-0.2 -5,-0.1 -0.380 51.0-160.0 -75.5 156.4 -1.6 17.3 17.7 91 117 A N >> + 0 0 67 -7,-0.3 4,-2.1 -2,-0.1 3,-0.7 -0.693 46.5 1.4-127.1 180.0 1.7 15.6 18.4 92 118 A G H 3> S- 0 0 33 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.017 125.4 -8.1 43.8-133.7 4.2 13.3 16.7 93 119 A E H 3> S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.833 133.3 57.4 -69.2 -35.4 3.5 12.4 13.1 94 120 A R H <> S+ 0 0 63 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.953 112.4 41.5 -58.6 -48.1 -0.0 13.9 13.0 95 121 A W H X S+ 0 0 13 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.911 113.5 53.4 -64.8 -42.5 1.3 17.3 14.0 96 122 A R H X S+ 0 0 93 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.921 113.2 44.5 -59.5 -43.3 4.3 16.9 11.7 97 123 A A H X S+ 0 0 29 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.957 114.8 46.2 -66.6 -52.3 2.0 16.1 8.8 98 124 A L H X S+ 0 0 1 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.910 112.0 49.9 -58.7 -46.1 -0.6 18.9 9.5 99 125 A R H X S+ 0 0 34 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.865 110.2 50.5 -67.6 -35.6 2.0 21.6 10.0 100 126 A R H X S+ 0 0 168 -4,-1.5 4,-1.4 -5,-0.3 5,-0.2 0.935 114.9 44.0 -64.4 -47.2 3.8 20.7 6.8 101 127 A F H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 112.3 53.7 -57.2 -44.9 0.5 20.8 4.9 102 128 A S H X S+ 0 0 0 -4,-3.1 4,-1.2 -5,-0.2 -2,-0.2 0.844 110.9 44.4 -68.7 -35.3 -0.5 24.0 6.7 103 129 A L H X S+ 0 0 77 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.990 112.5 48.5 -66.2 -76.3 2.7 25.9 5.8 104 130 A A H < S+ 0 0 33 -4,-1.4 5,-0.3 1,-0.2 3,-0.2 0.794 111.2 54.5 -22.8 -58.1 2.9 24.9 2.1 105 131 A T H >X S+ 0 0 10 -4,-2.1 3,-1.3 1,-0.3 4,-0.9 0.939 115.3 31.1 -56.6 -67.3 -0.7 25.8 1.6 106 132 A M H 3< S+ 0 0 25 -4,-1.2 10,-0.3 1,-0.3 -1,-0.3 0.653 106.5 81.9 -65.9 -12.5 -1.1 29.4 2.8 107 133 A R T 3< S- 0 0 182 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.411 113.4 -4.2 -75.6 0.1 2.6 29.8 1.6 108 134 A D T <4 - 0 0 86 -3,-1.3 2,-1.1 -4,-0.1 -2,-0.1 0.375 53.2-169.7-154.2 -62.7 1.6 30.3 -2.1 109 135 A F < - 0 0 15 -4,-0.9 4,-0.3 -5,-0.3 3,-0.2 -0.015 59.6-112.1 71.9 -35.3 -2.0 30.1 -3.4 110 136 A G - 0 0 49 -2,-1.1 5,-0.0 1,-0.1 0, 0.0 -0.584 38.1 -38.9 120.6-169.7 -0.5 30.2 -6.9 111 137 A M S S+ 0 0 120 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.459 132.4 15.6 -84.1 -6.9 0.1 32.0 -10.2 112 138 A G S S+ 0 0 79 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.484 103.6 100.0-130.3 -31.2 -3.4 33.5 -10.6 113 139 A K S S- 0 0 48 -4,-0.3 2,-0.1 1,-0.1 -3,-0.1 -0.226 79.9-105.3 -62.2 146.9 -4.8 33.1 -7.1 114 140 A R - 0 0 113 -5,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.454 36.9-126.1 -77.9 148.0 -4.8 36.2 -4.8 115 141 A S > - 0 0 39 -2,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.489 17.8-109.2-100.3 164.8 -2.2 36.3 -2.0 116 142 A V H > S+ 0 0 20 -10,-0.3 4,-3.0 1,-0.2 5,-0.2 0.856 119.9 49.6 -59.5 -40.1 -2.4 36.8 1.7 117 143 A E H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 111.3 50.4 -62.9 -42.4 -0.9 40.3 1.5 118 144 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.962 111.7 48.2 -59.6 -49.1 -3.3 41.2 -1.2 119 145 A R H X S+ 0 0 13 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.952 111.9 48.8 -53.9 -51.9 -6.1 39.9 1.0 120 146 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.853 108.9 54.0 -59.4 -34.5 -4.9 41.9 4.0 121 147 A Q H X S+ 0 0 57 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.932 109.3 48.1 -65.8 -41.7 -4.6 45.0 1.8 122 148 A E H X S+ 0 0 74 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.927 110.5 50.6 -64.0 -46.5 -8.2 44.6 0.8 123 149 A E H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.875 108.6 53.8 -56.8 -39.0 -9.3 44.1 4.3 124 150 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.923 109.9 46.4 -63.9 -44.7 -7.4 47.2 5.3 125 151 A R H X S+ 0 0 111 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.968 111.2 50.4 -61.9 -56.7 -9.2 49.2 2.6 126 152 A C H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.886 111.2 52.4 -45.4 -43.2 -12.7 47.9 3.6 127 153 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.919 107.4 49.0 -62.8 -44.2 -11.7 48.8 7.1 128 154 A V H X S+ 0 0 8 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.864 110.8 51.3 -66.4 -35.7 -10.8 52.4 6.2 129 155 A E H >X S+ 0 0 102 -4,-2.5 4,-1.3 2,-0.2 3,-1.0 0.962 111.8 47.8 -59.6 -52.6 -14.1 52.7 4.3 130 156 A E H 3X S+ 0 0 27 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.879 110.1 51.6 -56.2 -40.7 -15.9 51.4 7.4 131 157 A L H 3< S+ 0 0 5 -4,-2.7 5,-0.5 1,-0.2 -1,-0.2 0.675 102.5 61.3 -74.4 -16.9 -14.0 53.8 9.7 132 158 A R H X< S+ 0 0 102 -4,-1.0 3,-2.6 -3,-1.0 -1,-0.2 0.931 93.4 62.6 -71.0 -46.7 -14.9 56.8 7.5 133 159 A K H 3< S+ 0 0 118 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 90.9 66.4 -50.9 -31.1 -18.7 56.4 8.1 134 160 A S T >< S- 0 0 47 -4,-0.6 3,-2.1 -3,-0.1 -1,-0.3 0.403 94.2-148.9 -77.2 3.6 -18.3 57.0 11.8 135 161 A K T < - 0 0 183 -3,-2.6 -2,-0.1 1,-0.3 -3,-0.1 0.659 65.5 -44.4 34.7 40.7 -17.3 60.5 10.9 136 162 A G T 3 S+ 0 0 16 326,-0.5 -1,-0.3 -5,-0.5 2,-0.2 0.734 98.1 151.4 89.1 22.8 -15.0 61.1 13.8 137 163 A A < - 0 0 43 -3,-2.1 325,-0.5 325,-0.2 2,-0.3 -0.542 53.5 -95.0 -92.6 152.0 -17.2 59.7 16.5 138 164 A L + 0 0 61 -2,-0.2 2,-0.3 323,-0.1 323,-0.2 -0.452 58.0 159.9 -59.7 122.8 -16.3 58.0 19.8 139 165 A L B -G 460 0B 32 321,-2.4 321,-2.3 -2,-0.3 2,-0.5 -0.858 45.3-119.8-138.8 178.0 -16.1 54.3 19.4 140 166 A D > - 0 0 66 -2,-0.3 3,-0.9 319,-0.2 4,-0.4 -0.963 20.6-160.4-121.0 109.3 -14.8 51.1 20.8 141 167 A N T 3> + 0 0 1 -2,-0.5 4,-2.8 317,-0.3 5,-0.2 0.410 65.7 100.7 -76.2 2.9 -12.6 49.4 18.2 142 168 A T H 3> S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 84.5 42.1 -55.8 -41.7 -12.9 46.0 19.9 143 169 A L H <> S+ 0 0 66 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.925 113.6 51.7 -80.4 -39.7 -15.5 44.6 17.5 144 170 A L H > S+ 0 0 27 -4,-0.4 4,-2.5 1,-0.2 3,-0.3 0.927 110.0 48.9 -55.9 -48.0 -13.9 46.1 14.4 145 171 A F H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.878 110.1 50.8 -66.0 -34.8 -10.5 44.6 15.2 146 172 A H H X S+ 0 0 20 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.792 111.9 52.5 -64.7 -27.9 -12.1 41.2 15.9 147 173 A S H X S+ 0 0 1 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.933 107.0 45.8 -79.0 -47.5 -13.7 41.6 12.5 148 174 A I H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.901 114.8 49.6 -66.4 -36.3 -10.8 42.4 10.4 149 175 A T H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 3,-0.2 0.926 111.4 46.4 -69.1 -42.7 -8.7 39.5 11.9 150 176 A S H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.897 108.9 57.5 -65.6 -39.1 -11.4 36.8 11.5 151 177 A N H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.834 102.3 54.4 -58.9 -35.2 -12.0 38.0 8.0 152 178 A I H X S+ 0 0 1 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.921 112.0 43.6 -65.4 -43.4 -8.4 37.4 7.1 153 179 A I H X S+ 0 0 13 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.849 115.8 48.2 -68.7 -34.2 -8.7 33.8 8.4 154 180 A C H X>S+ 0 0 6 -4,-2.6 4,-4.2 2,-0.2 5,-1.2 0.958 108.9 53.6 -66.6 -50.6 -12.0 33.4 6.6 155 181 A S H X5S+ 0 0 12 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.913 116.0 40.3 -48.4 -46.4 -10.6 34.8 3.4 156 182 A I H <5S+ 0 0 4 -4,-2.0 82,-2.2 -5,-0.2 -1,-0.2 0.917 126.9 32.0 -69.6 -42.7 -7.8 32.2 3.7 157 183 A V H <5S+ 0 0 0 -4,-2.7 82,-1.4 80,-0.2 -2,-0.2 0.804 133.1 23.1 -94.1 -33.3 -10.0 29.3 4.8 158 184 A F H <5S- 0 0 6 -4,-4.2 -3,-0.2 2,-0.3 -1,-0.1 0.397 95.9-124.9-110.7 -4.7 -13.4 29.8 3.2 159 185 A G S < - 0 0 91 -2,-0.4 3,-1.6 1,-0.1 6,-0.1 -0.314 33.8-119.2 -64.8 149.6 -19.5 42.6 5.8 164 190 A Y T 3 S+ 0 0 8 1,-0.3 -1,-0.1 5,-0.1 -17,-0.0 0.509 114.0 44.9 -71.7 -3.1 -19.0 44.3 9.2 165 191 A K T 3 S+ 0 0 138 4,-0.0 -1,-0.3 5,-0.0 -2,-0.1 0.305 74.7 133.0-120.0 3.0 -22.7 44.5 9.8 166 192 A D <> - 0 0 50 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 -0.415 48.2-152.4 -57.6 109.5 -23.5 40.9 8.7 167 193 A P H > S+ 0 0 101 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.842 88.4 43.7 -67.2 -37.3 -25.7 39.9 11.6 168 194 A V H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.800 112.9 54.3 -79.5 -24.2 -25.2 36.1 11.6 169 195 A F H > S+ 0 0 17 1,-0.2 4,-3.1 -3,-0.2 3,-0.3 0.977 109.7 48.4 -59.3 -57.3 -21.5 36.7 11.1 170 196 A L H X S+ 0 0 35 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.689 105.9 57.1 -57.6 -25.2 -21.6 39.0 14.2 171 197 A R H X S+ 0 0 134 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.934 112.3 41.0 -73.3 -43.3 -23.5 36.4 16.2 172 198 A L H X S+ 0 0 21 -4,-1.7 4,-2.9 -3,-0.3 5,-0.3 0.921 112.7 55.8 -70.3 -44.6 -20.7 33.9 15.6 173 199 A L H X S+ 0 0 7 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.972 109.9 45.5 -38.6 -67.8 -18.1 36.5 16.2 174 200 A D H X S+ 0 0 100 -4,-2.1 4,-1.5 1,-0.3 -2,-0.2 0.871 114.4 48.0 -51.7 -45.9 -19.6 37.4 19.6 175 201 A L H X S+ 0 0 26 -4,-2.1 4,-0.9 2,-0.2 -1,-0.3 0.931 112.8 47.2 -61.2 -49.2 -19.9 33.8 20.6 176 202 A F H >X S+ 0 0 10 -4,-2.9 4,-0.8 1,-0.2 3,-0.8 0.932 113.5 46.7 -64.8 -46.8 -16.4 32.8 19.5 177 203 A F H 3X S+ 0 0 18 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.699 101.1 64.3 -74.5 -20.6 -14.6 35.8 21.2 178 204 A Q H 3X S+ 0 0 84 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.3 0.833 96.6 62.9 -63.8 -31.6 -16.5 35.3 24.4 179 205 A S H < S+ 0 0 32 -4,-2.0 3,-1.8 1,-0.2 6,-0.4 0.942 107.5 57.6 -66.2 -42.5 -13.7 32.6 29.5 183 209 A I H 3< S+ 0 0 12 -4,-3.3 268,-0.3 1,-0.3 -1,-0.2 0.785 111.2 41.0 -59.3 -30.3 -10.6 30.6 28.6 184 210 A S T 3< S+ 0 0 7 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.220 90.7 116.9-107.3 16.8 -8.3 33.1 30.4 185 211 A S S <> S- 0 0 14 -3,-1.8 4,-0.9 1,-0.1 266,-0.2 -0.261 81.2-109.6 -71.5 166.5 -10.5 33.6 33.4 186 212 A F H >> S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.920 119.3 59.6 -62.4 -46.3 -9.4 32.6 36.9 187 213 A S H 3> S+ 0 0 67 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.847 103.5 50.3 -47.2 -40.8 -12.0 29.7 36.7 188 214 A S H 3> S+ 0 0 4 -6,-0.4 4,-1.4 1,-0.2 -111,-0.3 0.769 108.0 52.6 -77.0 -22.7 -10.3 28.3 33.7 189 215 A Q H X S+ 0 0 34 -4,-2.1 3,-2.8 1,-0.1 4,-2.2 0.076 70.6 128.4-130.0 22.0 -8.3 20.3 38.8 195 221 A S H 3X + 0 0 38 -4,-1.9 4,-2.8 1,-0.3 5,-0.2 0.895 67.8 74.8 -43.4 -47.0 -10.4 19.5 35.7 196 222 A G H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.654 114.1 22.2 -43.6 -18.9 -10.4 15.9 36.9 197 223 A F H X4 S+ 0 0 114 -3,-2.8 3,-1.7 -6,-0.1 -2,-0.2 0.706 121.0 53.9-115.0 -46.9 -12.9 17.0 39.5 198 224 A L H >< S+ 0 0 64 -4,-2.2 3,-1.6 1,-0.3 -3,-0.2 0.661 88.2 82.7 -68.3 -12.8 -14.5 20.2 38.2 199 225 A K T 3< S+ 0 0 99 -4,-2.8 -1,-0.3 -5,-0.3 -3,-0.1 0.752 84.7 61.0 -62.3 -23.3 -15.5 18.5 35.0 200 226 A Y T < S+ 0 0 151 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.644 102.4 57.2 -77.9 -14.7 -18.5 17.1 36.8 201 227 A F S < S- 0 0 122 -3,-1.6 5,-0.2 -4,-0.2 2,-0.0 -0.664 93.1 -86.6-118.7 166.1 -20.0 20.5 37.6 202 228 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.425 66.0 119.9 -67.6 153.2 -21.2 23.6 35.8 203 229 A G S >> S- 0 0 41 -4,-0.1 3,-1.4 -2,-0.0 4,-1.1 -0.935 77.2 -57.5 171.3-177.9 -18.5 26.2 35.1 204 230 A T H 3> S+ 0 0 23 -2,-0.3 4,-2.8 1,-0.3 5,-0.3 0.790 120.0 70.5 -54.4 -34.0 -16.7 28.1 32.3 205 231 A H H 3> S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.873 98.4 48.9 -55.9 -35.8 -15.6 24.8 30.7 206 232 A R H <> S+ 0 0 118 -3,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.935 111.0 49.1 -70.7 -45.3 -19.1 24.0 29.6 207 233 A Q H X S+ 0 0 61 -4,-1.1 4,-2.6 2,-0.2 5,-0.2 0.921 112.5 48.3 -53.6 -45.9 -19.7 27.5 28.1 208 234 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.901 110.6 53.0 -67.2 -37.7 -16.4 27.2 26.2 209 235 A Y H X S+ 0 0 104 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.958 110.3 45.8 -58.7 -51.2 -17.5 23.8 25.1 210 236 A R H X S+ 0 0 153 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.953 112.4 50.5 -60.6 -49.6 -20.8 25.0 23.7 211 237 A N H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.900 112.9 45.5 -55.0 -43.4 -19.2 28.0 21.9 212 238 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.852 110.7 53.7 -72.9 -29.7 -16.6 25.9 20.2 213 239 A Q H X S+ 0 0 70 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.910 106.7 53.3 -64.5 -41.0 -19.2 23.3 19.2 214 240 A E H X S+ 0 0 43 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.913 112.0 43.4 -60.9 -47.2 -21.3 26.1 17.6 215 241 A I H X S+ 0 0 11 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.896 112.5 53.5 -64.7 -42.3 -18.3 27.2 15.5 216 242 A N H X S+ 0 0 20 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.926 106.6 52.9 -57.6 -44.5 -17.4 23.7 14.7 217 243 A T H X S+ 0 0 80 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.932 112.2 44.8 -55.0 -45.3 -21.0 23.1 13.5 218 244 A F H X S+ 0 0 47 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.861 110.9 53.2 -69.5 -34.9 -20.6 26.1 11.3 219 245 A I H >X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-1.1 0.971 109.1 50.2 -62.1 -50.4 -17.2 25.0 10.1 220 246 A G H 3X S+ 0 0 15 -4,-3.0 4,-1.3 1,-0.3 -2,-0.2 0.836 107.7 51.2 -57.5 -39.1 -18.6 21.6 9.1 221 247 A Q H 3X S+ 0 0 106 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.643 109.9 50.7 -81.8 -8.6 -21.5 23.0 7.1 222 248 A S H X S+ 0 0 104 -4,-1.3 4,-1.8 2,-0.2 3,-0.5 0.981 107.4 49.6 -69.1 -57.6 -20.1 20.6 2.9 225 251 A K H >< S+ 0 0 121 -4,-1.2 3,-1.1 1,-0.3 4,-0.3 0.951 112.2 49.1 -40.4 -66.1 -20.7 23.5 0.6 226 252 A H H >< S+ 0 0 12 -4,-2.0 3,-1.3 1,-0.3 4,-0.4 0.831 107.7 56.6 -43.0 -39.9 -17.1 23.5 -0.5 227 253 A R H X< S+ 0 0 106 -4,-1.4 3,-0.5 -3,-0.5 -1,-0.3 0.849 105.8 47.3 -69.7 -34.7 -17.3 19.7 -1.1 228 254 A A T << S+ 0 0 98 -4,-1.8 -1,-0.3 -3,-1.1 -2,-0.2 0.256 117.3 43.9 -91.8 12.6 -20.2 19.8 -3.5 229 255 A T T < S+ 0 0 67 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.233 79.8 146.4-130.2 5.4 -18.6 22.7 -5.5 230 256 A L < - 0 0 47 -3,-0.5 -3,-0.1 -4,-0.4 -4,-0.0 -0.239 28.0-170.6 -53.3 113.5 -15.1 21.2 -5.5 231 257 A D > - 0 0 83 3,-0.1 3,-2.2 -2,-0.1 -1,-0.1 -0.870 11.2-156.4-108.4 94.0 -13.3 22.1 -8.8 232 258 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.455 89.9 52.0 -56.2 2.1 -10.2 20.0 -8.7 233 259 A S T 3 S+ 0 0 99 1,-0.1 -3,-0.0 0, 0.0 -2,-0.0 0.610 113.6 36.3-113.2 -19.9 -8.5 22.5 -11.1 234 260 A N S < S- 0 0 119 -3,-2.2 -3,-0.1 6,-0.0 -1,-0.1 -0.396 72.3-166.7-132.2 62.1 -9.1 25.8 -9.3 235 261 A P - 0 0 37 0, 0.0 3,-0.0 0, 0.0 -5,-0.0 -0.283 6.0-162.4 -47.8 115.0 -8.8 25.2 -5.5 236 262 A R - 0 0 85 -2,-0.1 2,-0.3 1,-0.1 -78,-0.1 0.761 54.9 -23.4 -80.1 -29.5 -10.3 28.4 -4.1 237 263 A D S > S- 0 0 2 -80,-0.1 4,-1.9 -79,-0.1 3,-0.2 -0.890 85.8 -54.9-165.7-171.1 -9.0 28.2 -0.5 238 264 A F H > S+ 0 0 0 -82,-2.2 4,-2.1 -2,-0.3 5,-0.2 0.920 123.4 51.9 -51.6 -58.0 -7.7 26.2 2.4 239 265 A I H > S+ 0 0 0 -82,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.878 108.7 52.6 -50.4 -45.2 -10.6 23.7 2.7 240 266 A D H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.966 107.4 49.6 -55.1 -57.1 -10.3 22.9 -1.0 241 267 A V H X S+ 0 0 40 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 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