==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-OCT-11 3UAS . COMPND 2 MOLECULE: CYTOCHROME P450 2B4; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR S.C GAY,H.ZHANG,M.B.SHAH,C.D.STOUT,J.R.HALPERT,P.F.HOLLENBER . 461 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 66.8 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 . 34 7.4 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 . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 0 0 0 1 0 0 1 1 1 2 2 2 1 2 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 . 3 4 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 . 4 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 96 0, 0.0 350,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.3 10.5 32.6 -6.4 2 29 A K - 0 0 143 348,-0.1 349,-1.9 2,-0.0 0, 0.0 0.979 360.0-153.7 56.8 91.9 9.2 33.2 -2.8 3 30 A L - 0 0 43 1,-0.2 37,-0.1 347,-0.2 349,-0.1 -0.330 41.7 -68.5 -75.7 166.1 5.5 32.6 -2.5 4 31 A P S S- 0 0 5 0, 0.0 36,-0.3 0, 0.0 -1,-0.2 -0.221 72.6 -83.3 -49.6 152.1 3.4 34.3 0.2 5 32 A P + 0 0 39 0, 0.0 35,-2.3 0, 0.0 30,-0.1 -0.150 65.0 146.4 -63.6 159.0 4.4 33.1 3.7 6 33 A G - 0 0 31 33,-0.2 35,-0.1 -3,-0.1 2,-0.1 -0.978 47.1 -65.0-177.7 172.5 2.8 29.9 5.0 7 34 A P - 0 0 7 0, 0.0 35,-0.2 0, 0.0 11,-0.0 -0.433 62.0 -90.5 -78.3 150.9 3.3 26.8 7.1 8 35 A S - 0 0 100 -2,-0.1 2,-0.1 1,-0.1 33,-0.0 -0.428 48.6-142.3 -64.5 117.0 5.8 24.1 6.2 9 36 A P - 0 0 57 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.341 3.7-127.0 -79.7 159.4 4.0 21.5 3.9 10 37 A L B > -A 14 0A 72 4,-1.9 4,-1.3 32,-0.2 6,-0.1 -0.760 30.8-108.0 -99.0 153.9 4.5 17.8 3.9 11 38 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.841 108.8 5.0 -49.9 -42.6 5.3 16.0 0.5 12 39 A V T 4 S+ 0 0 75 2,-0.1 33,-0.0 33,-0.0 -2,-0.0 0.797 131.9 49.4-111.0 -46.1 1.8 14.4 0.1 13 40 A L T >4 S- 0 0 76 1,-0.2 3,-2.0 32,-0.1 31,-0.6 0.566 82.4-166.7 -76.5 -9.8 -0.4 15.6 3.0 14 41 A G B 3< -AB 10 43A 2 -4,-1.3 -4,-1.9 1,-0.2 3,-0.3 -0.384 66.9 -21.9 58.0-126.2 0.5 19.3 2.3 15 42 A N T >> S+ 0 0 0 27,-2.8 3,-2.3 -6,-0.2 4,-0.7 0.120 93.3 130.0-101.3 20.8 -0.7 21.4 5.3 16 43 A L G X4 S+ 0 0 73 -3,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.795 72.5 53.2 -42.9 -40.3 -3.3 18.9 6.5 17 44 A L G 34 S+ 0 0 133 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.738 105.4 53.6 -72.8 -24.1 -2.0 19.1 10.0 18 45 A Q G <4 S+ 0 0 75 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.502 93.3 101.6 -86.0 -5.9 -2.3 22.9 10.1 19 46 A M S << S- 0 0 32 -3,-0.9 2,-0.3 -4,-0.7 5,-0.1 -0.231 71.6-120.5 -78.0 165.4 -6.0 22.7 9.1 20 47 A D > - 0 0 39 3,-0.5 3,-0.8 4,-0.1 7,-0.2 -0.822 12.4-134.4-103.0 146.9 -9.1 23.1 11.3 21 48 A R T 3 S+ 0 0 215 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.688 97.8 72.9 -72.9 -17.9 -11.7 20.2 11.5 22 49 A K T 3 S- 0 0 73 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.682 111.4 -79.8 -73.9 -19.3 -14.6 22.7 11.1 23 50 A G <> - 0 0 9 -3,-0.8 4,-1.0 1,-0.1 -3,-0.5 -0.890 46.2 -66.4 149.3-176.6 -13.9 23.2 7.3 24 51 A L H > S+ 0 0 11 -2,-0.3 4,-3.0 421,-0.2 5,-0.2 0.918 126.4 50.2 -71.9 -46.0 -11.8 24.9 4.6 25 52 A L H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.940 110.4 49.6 -55.0 -51.2 -13.1 28.4 5.5 26 53 A R H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.781 113.1 48.2 -63.7 -27.2 -12.3 28.0 9.2 27 54 A S H X S+ 0 0 2 -4,-1.0 4,-1.7 -7,-0.2 -1,-0.2 0.923 111.1 49.6 -74.4 -47.3 -8.8 26.8 8.2 28 55 A F H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.905 114.0 45.7 -54.6 -47.2 -8.3 29.7 5.8 29 56 A L H X S+ 0 0 43 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.775 109.8 54.3 -70.6 -29.5 -9.4 32.2 8.5 30 57 A R H < S+ 0 0 148 -4,-1.0 4,-0.5 -5,-0.2 -1,-0.2 0.796 107.1 50.8 -74.8 -29.7 -7.3 30.5 11.3 31 58 A L H X S+ 0 0 12 -4,-1.7 4,-3.3 1,-0.2 3,-0.4 0.724 100.9 63.0 -78.5 -24.1 -4.1 30.8 9.1 32 59 A R H X S+ 0 0 65 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.864 95.2 61.1 -64.6 -37.7 -4.8 34.6 8.5 33 60 A E H < S+ 0 0 118 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 119.3 26.5 -58.2 -32.3 -4.4 35.1 12.3 34 61 A K H 4 S+ 0 0 166 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.825 133.4 30.0 -99.2 -42.2 -0.8 33.8 12.1 35 62 A Y H < S- 0 0 62 -4,-3.3 3,-0.3 1,-0.3 -3,-0.2 0.522 100.0-128.1-105.6 -9.3 0.3 34.6 8.5 36 63 A G < - 0 0 28 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.377 47.5 -37.5 93.8-169.4 -1.7 37.7 7.5 37 64 A D S S+ 0 0 61 1,-0.2 15,-3.3 -2,-0.1 2,-0.4 0.652 126.1 40.3 -73.0 -20.6 -3.9 38.7 4.6 38 65 A V E S+ C 0 51A 8 -3,-0.3 2,-0.3 13,-0.2 -1,-0.2 -0.945 75.7 143.6-134.5 113.7 -1.9 37.0 1.9 39 66 A F E - C 0 50A 0 11,-1.5 11,-2.4 -2,-0.4 2,-0.5 -0.900 42.9-116.5-143.1 167.7 -0.5 33.5 2.4 40 67 A T E + C 0 49A 4 -35,-2.3 2,-0.4 -2,-0.3 9,-0.2 -0.941 27.2 178.7-110.3 129.6 0.3 30.2 0.8 41 68 A V E - C 0 48A 0 7,-2.3 7,-2.5 -2,-0.5 2,-0.8 -0.989 24.2-134.3-127.0 140.7 -1.4 27.0 2.0 42 69 A Y E - C 0 47A 62 -2,-0.4 -27,-2.8 5,-0.2 2,-1.3 -0.841 11.2-165.2 -98.9 104.3 -0.8 23.6 0.4 43 70 A L E > S-BC 14 46A 1 3,-1.3 3,-1.0 -2,-0.8 2,-0.3 -0.776 73.4 -47.4 -84.4 94.5 -4.0 21.7 -0.1 44 71 A G T 3 S- 0 0 2 -2,-1.3 -34,-0.1 -31,-0.6 146,-0.1 -0.594 120.8 -21.1 75.0-134.5 -2.4 18.3 -0.7 45 72 A S T 3 S+ 0 0 105 144,-0.4 -1,-0.2 -2,-0.3 -32,-0.1 0.426 123.4 81.1 -89.3 0.9 0.6 18.4 -3.1 46 73 A R E < S-C 43 0A 67 -3,-1.0 -3,-1.3 143,-0.2 2,-0.3 -0.883 73.2-131.3-113.2 140.1 -0.6 21.7 -4.8 47 74 A P E -C 42 0A 41 0, 0.0 310,-0.9 0, 0.0 2,-0.4 -0.684 20.4-172.7 -89.4 139.6 -0.1 25.3 -3.5 48 75 A V E -Cd 41 357A 0 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.6 -0.968 18.7-137.2-126.3 145.1 -2.9 27.8 -3.3 49 76 A V E -Cd 40 358A 0 308,-3.2 310,-3.3 -2,-0.4 2,-0.4 -0.917 20.3-154.4-103.9 120.4 -2.7 31.5 -2.5 50 77 A V E -Cd 39 359A 0 -11,-2.4 -11,-1.5 -2,-0.6 2,-0.5 -0.788 2.0-155.0-100.3 134.4 -5.4 32.7 -0.1 51 78 A L E -Cd 38 360A 0 308,-3.6 310,-2.6 -2,-0.4 2,-0.3 -0.936 13.4-177.1-116.5 118.2 -6.5 36.4 -0.1 52 79 A C + 0 0 0 -15,-3.3 4,-0.4 -2,-0.5 310,-0.1 -0.859 43.0 28.0-116.3 147.0 -8.1 37.9 3.0 53 80 A G S > S- 0 0 4 308,-0.4 4,-1.7 -2,-0.3 3,-0.4 0.409 83.6 -91.0 81.9 142.6 -9.6 41.3 3.6 54 81 A T H > S+ 0 0 0 310,-0.5 4,-2.4 1,-0.2 5,-0.2 0.888 120.2 54.7 -48.8 -52.8 -11.2 43.8 1.2 55 82 A D H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 110.0 45.0 -57.0 -42.3 -8.0 45.7 0.3 56 83 A A H > S+ 0 0 1 -3,-0.4 4,-0.8 -4,-0.4 -1,-0.2 0.829 111.5 51.6 -73.2 -35.2 -6.0 42.6 -0.8 57 84 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.2 5,-0.4 0.900 113.1 46.0 -68.6 -39.9 -8.9 41.1 -2.8 58 85 A R H X>S+ 0 0 55 -4,-2.4 5,-2.5 1,-0.2 4,-1.5 0.857 106.3 59.4 -66.8 -38.6 -9.3 44.4 -4.7 59 86 A E H <5S+ 0 0 62 -4,-1.8 5,-0.3 -5,-0.2 -1,-0.2 0.733 119.3 29.3 -62.6 -25.1 -5.5 44.7 -5.2 60 87 A A H X5S+ 0 0 0 -4,-0.8 4,-0.7 -3,-0.4 8,-0.4 0.869 127.3 35.5 -98.9 -59.5 -5.6 41.4 -7.1 61 88 A L H <5S+ 0 0 3 -4,-2.8 342,-0.4 -5,-0.2 -3,-0.2 0.776 133.6 24.9 -72.3 -27.7 -9.0 41.1 -8.8 62 89 A V T ><5S+ 0 0 61 -4,-1.5 3,-1.0 -5,-0.4 -3,-0.2 0.870 127.3 39.4-101.0 -54.6 -9.4 44.8 -9.5 63 90 A D T 344 S+ 0 0 87 1,-0.2 3,-1.4 2,-0.2 276,-0.3 0.892 109.1 52.1 -59.8 -44.2 -6.0 40.3 -16.1 67 94 A A T 34 S+ 0 0 2 -3,-0.5 275,-2.6 1,-0.3 3,-0.4 0.902 116.1 40.6 -57.1 -43.3 -3.5 38.4 -14.0 68 95 A F T 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -8,-0.4 336,-0.2 -0.066 86.1 99.1-100.6 32.2 -6.2 37.1 -11.7 69 96 A S < + 0 0 4 -3,-1.4 2,-0.3 -5,-0.1 -1,-0.2 0.221 57.4 110.4 -98.6 12.7 -8.7 36.4 -14.5 70 97 A G E -E 340 0A 0 270,-1.5 270,-2.9 -3,-0.4 2,-0.4 -0.702 63.4-133.1 -93.1 141.0 -7.9 32.7 -14.5 71 98 A R E -E 339 0A 25 -2,-0.3 268,-0.3 268,-0.3 2,-0.1 -0.796 15.8-150.7 -96.0 130.8 -10.4 30.0 -13.3 72 99 A G - 0 0 5 266,-2.5 2,-0.2 -2,-0.4 268,-0.1 -0.451 22.4-103.4 -88.5 167.4 -9.3 27.2 -10.9 73 100 A K - 0 0 130 -2,-0.1 2,-0.5 266,-0.1 -1,-0.1 -0.618 15.1-147.9 -89.7 149.6 -10.7 23.7 -10.7 74 101 A I >> - 0 0 14 -2,-0.2 4,-2.1 1,-0.1 3,-1.1 -0.995 17.6-141.1-111.9 123.8 -13.1 22.3 -8.0 75 102 A A T 34 S+ 0 0 15 -2,-0.5 -1,-0.1 1,-0.2 110,-0.1 0.785 93.3 52.7 -55.1 -38.4 -12.3 18.6 -7.5 76 103 A V T 34 S+ 0 0 5 1,-0.2 -1,-0.2 108,-0.1 4,-0.1 0.703 121.1 27.9 -76.9 -21.2 -15.9 17.4 -7.1 77 104 A V T X> S+ 0 0 1 -3,-1.1 4,-1.8 2,-0.1 3,-1.6 0.589 93.8 89.7-116.0 -17.4 -17.4 18.9 -10.3 78 105 A D H 3X S+ 0 0 42 -4,-2.1 4,-3.4 1,-0.3 -2,-0.1 0.880 80.5 63.6 -50.1 -45.8 -14.4 19.1 -12.7 79 106 A P H 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.798 109.2 42.4 -49.7 -32.1 -15.1 15.6 -14.1 80 107 A I H <4 S+ 0 0 5 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.937 126.3 29.4 -77.0 -52.9 -18.4 17.0 -15.4 81 108 A F H >< S- 0 0 1 -4,-1.8 3,-2.4 2,-0.1 -3,-0.2 0.898 74.7-174.3 -80.5 -44.5 -17.2 20.3 -16.7 82 109 A Q T 3< S- 0 0 120 -4,-3.4 3,-0.1 1,-0.3 -4,-0.1 0.857 79.5 -50.4 49.0 45.0 -13.6 19.4 -17.7 83 110 A G T 3 S+ 0 0 23 1,-0.3 7,-0.3 -5,-0.1 -1,-0.3 0.497 115.5 118.2 74.6 3.6 -12.7 23.1 -18.5 84 111 A Y < + 0 0 81 -3,-2.4 4,-0.4 5,-0.1 -1,-0.3 -0.705 48.4 44.1 -98.4 156.3 -15.8 23.3 -20.8 85 112 A G S > S- 0 0 0 -2,-0.3 4,-1.0 1,-0.1 176,-0.2 -0.013 96.6 -76.5 88.8 160.7 -18.7 25.8 -20.2 86 113 A V T 4 S+ 0 0 10 171,-0.2 12,-0.1 1,-0.2 -1,-0.1 0.822 122.7 50.4 -66.5 -37.8 -18.5 29.5 -19.2 87 114 A I T 4 S+ 0 0 26 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.949 121.2 30.2 -65.8 -49.8 -17.6 29.2 -15.5 88 115 A F T 4 S+ 0 0 14 -4,-0.4 -1,-0.2 2,-0.0 -2,-0.2 0.344 94.3 109.1-101.4 4.7 -14.7 26.8 -15.8 89 116 A A < - 0 0 0 -4,-1.0 -18,-0.3 4,-0.1 2,-0.3 -0.207 48.5-164.0 -68.8 168.6 -13.3 27.8 -19.2 90 117 A N >> + 0 0 65 -7,-0.3 4,-1.7 -20,-0.1 3,-0.9 -0.897 42.7 2.3-145.8 176.0 -10.0 29.6 -19.6 91 118 A G H 3> S- 0 0 38 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.062 127.6 -10.2 46.2-133.2 -8.0 31.7 -22.0 92 119 A E H 3> S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.842 135.3 60.2 -64.7 -35.8 -9.7 32.3 -25.4 93 120 A R H <> S+ 0 0 57 -3,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.936 108.4 42.4 -58.6 -50.5 -12.5 29.8 -24.6 94 121 A W H X S+ 0 0 14 -4,-1.7 4,-3.3 2,-0.2 5,-0.4 0.949 113.8 51.9 -61.0 -51.3 -13.7 31.7 -21.5 95 122 A R H X S+ 0 0 119 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.885 114.8 43.6 -51.4 -44.9 -13.3 35.1 -23.2 96 123 A A H X S+ 0 0 19 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.966 116.9 44.4 -64.5 -54.7 -15.4 33.8 -26.1 97 124 A L H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.879 114.7 47.9 -61.8 -44.5 -18.1 32.0 -24.0 98 125 A R H X S+ 0 0 34 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.891 111.2 50.7 -64.5 -43.7 -18.5 34.9 -21.5 99 126 A R H X S+ 0 0 201 -4,-1.6 4,-2.7 -5,-0.4 5,-0.2 0.940 113.9 45.3 -59.9 -48.5 -18.8 37.5 -24.2 100 127 A F H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.948 113.5 49.9 -55.7 -51.1 -21.5 35.4 -26.0 101 128 A S H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.826 114.0 44.7 -62.3 -36.9 -23.3 34.8 -22.7 102 129 A L H X S+ 0 0 79 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.975 116.2 45.6 -66.6 -57.0 -23.3 38.4 -21.7 103 130 A A H < S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.784 111.4 53.8 -58.6 -34.0 -24.4 39.6 -25.2 104 131 A T H >< S+ 0 0 20 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 0.961 115.4 36.4 -66.5 -53.2 -27.1 36.9 -25.5 105 132 A M H 3< S+ 0 0 31 -4,-1.5 7,-0.2 1,-0.3 -2,-0.2 0.692 101.3 75.5 -77.9 -19.0 -28.9 37.7 -22.2 106 133 A R T 3< 0 0 185 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.552 360.0 360.0 -66.1 -7.9 -28.2 41.5 -22.7 107 134 A D < 0 0 125 -3,-1.1 -3,-0.1 -5,-0.2 5,-0.1 -0.200 360.0 360.0-167.2 360.0 -31.1 41.2 -25.3 108 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 109 139 A K 0 0 162 0, 0.0 2,-0.2 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0-160.2 -39.4 39.1 -27.2 110 140 A R - 0 0 112 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.463 360.0-127.4 -72.7 134.0 -39.9 39.2 -23.4 111 141 A S > - 0 0 52 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.367 22.4-113.3 -73.7 157.8 -37.2 41.0 -21.2 112 142 A V H > S+ 0 0 34 -7,-0.2 4,-2.0 1,-0.2 5,-0.2 0.839 118.4 57.5 -61.3 -34.0 -35.6 39.2 -18.3 113 143 A E H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 107.1 46.8 -59.0 -46.8 -37.4 41.6 -16.0 114 144 A E H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.825 109.3 54.0 -69.1 -34.0 -40.8 40.6 -17.3 115 145 A R H X S+ 0 0 27 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.908 110.8 46.4 -64.6 -43.7 -40.0 36.9 -17.0 116 146 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.886 110.7 52.8 -64.8 -41.9 -39.1 37.4 -13.4 117 147 A Q H X S+ 0 0 47 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.866 108.2 51.6 -60.2 -38.6 -42.3 39.5 -12.8 118 148 A E H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.879 111.0 46.5 -65.1 -41.7 -44.2 36.6 -14.4 119 149 A E H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.855 111.1 53.4 -68.1 -37.3 -42.6 34.1 -12.0 120 150 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.972 110.1 46.4 -59.5 -53.9 -43.3 36.5 -9.1 121 151 A R H X S+ 0 0 122 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.897 112.9 51.1 -53.8 -44.3 -47.0 36.7 -10.1 122 152 A C H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.870 109.7 49.6 -62.4 -41.3 -47.0 32.8 -10.4 123 153 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 108.3 52.0 -63.1 -47.1 -45.5 32.4 -6.9 124 154 A V H X S+ 0 0 10 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.897 109.4 50.7 -58.8 -42.1 -47.9 34.8 -5.3 125 155 A E H X S+ 0 0 99 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.874 111.7 47.8 -61.7 -39.6 -50.8 32.8 -6.8 126 156 A E H X S+ 0 0 33 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.851 110.0 51.9 -69.8 -36.9 -49.3 29.6 -5.4 127 157 A L H <>S+ 0 0 2 -4,-2.5 5,-0.6 1,-0.2 4,-0.4 0.814 103.7 57.9 -71.9 -30.5 -48.7 31.1 -2.0 128 158 A R H ><5S+ 0 0 107 -4,-1.8 3,-1.2 -5,-0.2 -1,-0.2 0.878 99.8 60.0 -63.5 -38.9 -52.4 32.2 -1.8 129 159 A K H 3<5S+ 0 0 115 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.935 95.3 59.3 -53.3 -53.3 -53.4 28.5 -2.3 130 160 A S T ><5S- 0 0 38 -4,-1.2 3,-0.5 1,-0.1 -1,-0.3 0.684 97.9-148.2 -51.0 -21.4 -51.6 27.4 0.8 131 161 A K T < 5 - 0 0 185 -3,-1.2 -3,-0.1 -4,-0.4 -1,-0.1 0.823 64.0 -47.6 54.3 40.8 -54.0 29.9 2.5 132 162 A G T 3 + 0 0 1 317,-0.6 4,-2.4 -2,-0.6 5,-0.2 0.461 68.0 99.6 -84.0 -1.3 -40.0 27.5 1.4 138 168 A T H > S+ 0 0 29 316,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 83.0 45.8 -49.6 -57.0 -36.9 25.6 0.1 139 169 A L H > S+ 0 0 75 -3,-0.4 4,-2.3 1,-0.2 3,-0.3 0.924 115.3 43.9 -55.3 -55.3 -38.7 23.8 -2.7 140 170 A L H > S+ 0 0 25 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.825 111.7 54.7 -62.4 -34.4 -40.6 26.8 -4.1 141 171 A F H X S+ 0 0 2 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.830 110.3 46.6 -70.3 -32.6 -37.6 29.1 -3.8 142 172 A H H X S+ 0 0 20 -4,-1.9 4,-2.7 -3,-0.3 5,-0.3 0.905 111.3 53.1 -66.9 -45.8 -35.6 26.5 -5.9 143 173 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.924 109.5 45.5 -58.3 -51.6 -38.4 26.3 -8.4 144 174 A I H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.904 115.0 47.0 -63.0 -43.7 -38.7 30.1 -9.1 145 175 A T H X S+ 0 0 0 -4,-1.3 4,-1.4 1,-0.2 3,-0.5 0.927 116.4 44.1 -64.7 -46.4 -35.0 30.6 -9.4 146 176 A S H X S+ 0 0 7 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.837 107.5 60.7 -65.8 -35.5 -34.6 27.6 -11.7 147 177 A N H X S+ 0 0 0 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.759 100.8 54.3 -64.4 -26.5 -37.7 28.7 -13.7 148 178 A I H X S+ 0 0 2 -4,-1.1 4,-2.0 -3,-0.5 -1,-0.2 0.946 112.7 42.3 -67.9 -48.7 -35.9 32.0 -14.5 149 179 A I H X S+ 0 0 10 -4,-1.4 4,-3.2 1,-0.2 5,-0.3 0.913 112.2 53.9 -64.7 -44.5 -33.0 30.0 -15.9 150 180 A C H X>S+ 0 0 5 -4,-3.3 4,-1.6 1,-0.2 6,-1.4 0.794 109.3 50.8 -56.0 -31.9 -35.3 27.6 -17.6 151 181 A S H <5S+ 0 0 6 -4,-1.0 4,-0.3 4,-0.2 -2,-0.2 0.877 114.0 42.2 -74.2 -40.6 -37.0 30.6 -19.2 152 182 A I H <5S+ 0 0 20 -4,-2.0 82,-2.9 2,-0.1 -2,-0.2 0.902 128.8 29.0 -69.8 -40.5 -33.6 32.0 -20.4 153 183 A V H <5S+ 0 0 0 -4,-3.2 82,-1.2 80,-0.2 83,-0.3 0.919 131.9 26.8 -93.0 -51.3 -32.3 28.6 -21.6 154 184 A F T <5S- 0 0 11 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.609 99.4-120.0 -93.8 -13.2 -35.3 26.4 -22.6 155 185 A G S - 0 0 87 -2,-0.4 3,-1.8 1,-0.1 6,-0.1 -0.340 34.3-117.4 -60.5 144.1 -45.6 24.3 -13.1 160 190 A Y T 3 S+ 0 0 11 1,-0.3 -1,-0.1 5,-0.1 -17,-0.1 0.715 112.4 43.9 -63.3 -24.0 -44.6 24.0 -9.4 161 191 A K T 3 S+ 0 0 144 4,-0.0 -1,-0.3 5,-0.0 -2,-0.1 0.218 77.6 133.4-108.2 15.2 -46.1 20.5 -8.9 162 192 A D <> - 0 0 49 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.543 48.8-149.8 -62.8 118.1 -44.7 19.1 -12.2 163 193 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.857 92.1 46.9 -66.1 -41.5 -43.3 15.7 -11.2 164 194 A V H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.903 114.8 48.9 -69.5 -40.2 -40.5 15.4 -13.8 165 195 A F H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.942 113.6 46.4 -58.3 -50.3 -39.4 19.0 -12.9 166 196 A L H X S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.844 110.7 52.9 -64.7 -35.7 -39.5 18.3 -9.2 167 197 A R H X S+ 0 0 126 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.930 114.5 40.3 -65.7 -45.5 -37.5 15.0 -9.7 168 198 A L H X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.802 115.7 51.7 -75.2 -29.8 -34.7 16.7 -11.6 169 199 A L H X S+ 0 0 10 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.932 107.0 55.6 -65.7 -48.3 -34.8 19.7 -9.3 170 200 A D H X S+ 0 0 96 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.906 114.0 37.7 -47.0 -54.4 -34.6 17.3 -6.3 171 201 A L H X S+ 0 0 13 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.841 113.9 54.7 -73.9 -36.3 -31.4 15.7 -7.5 172 202 A F H < S+ 0 0 10 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.866 114.3 41.9 -64.3 -36.4 -29.8 18.9 -8.9 173 203 A F H >X S+ 0 0 16 -4,-2.3 4,-1.1 1,-0.2 3,-0.6 0.802 105.1 59.6 -86.7 -29.9 -30.2 20.6 -5.6 174 204 A Q H 3X S+ 0 0 93 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.632 97.1 68.8 -68.5 -12.6 -29.2 17.7 -3.3 175 205 A S H 3X S+ 0 0 1 -4,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.871 95.1 51.0 -70.3 -40.7 -25.9 18.0 -5.3 176 206 A F H <> S+ 0 0 18 -3,-0.6 4,-2.2 -4,-0.5 -2,-0.2 0.871 106.8 54.9 -65.5 -37.7 -25.1 21.4 -3.7 177 207 A S H < S+ 0 0 30 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.928 113.0 42.3 -57.0 -46.5 -25.7 19.9 -0.3 178 208 A L H >< S+ 0 0 42 -4,-1.5 3,-1.0 1,-0.2 6,-0.4 0.863 110.9 55.6 -70.1 -38.0 -23.1 17.2 -1.2 179 209 A I H 3< S+ 0 0 13 -4,-2.7 268,-0.3 1,-0.2 -1,-0.2 0.886 110.4 45.8 -60.4 -39.6 -20.7 19.7 -2.8 180 210 A S T 3< S+ 0 0 6 -4,-2.2 265,-0.3 -5,-0.1 -1,-0.2 0.375 92.0 115.8 -88.5 4.8 -20.6 21.8 0.4 181 211 A S S <> S- 0 0 14 -3,-1.0 4,-1.3 -4,-0.2 5,-0.1 -0.270 77.5-118.1 -71.3 159.0 -20.2 18.7 2.7 182 212 A F H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.899 115.5 58.5 -58.5 -42.5 -17.1 18.1 4.8 183 213 A S H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 104.3 49.5 -57.7 -41.9 -16.5 14.9 2.7 184 214 A S H > S+ 0 0 3 -6,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.788 108.1 53.9 -69.6 -29.8 -16.3 16.9 -0.5 185 215 A Q H X S+ 0 0 16 -4,-1.3 4,-1.0 -3,-0.3 -2,-0.2 0.850 107.5 50.2 -71.3 -35.8 -13.8 19.3 1.1 186 216 A V H X S+ 0 0 54 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.869 108.5 54.1 -64.2 -36.8 -11.7 16.3 2.0 187 217 A F H X S+ 0 0 13 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.779 98.3 64.1 -67.5 -27.9 -12.0 15.3 -1.6 188 218 A E H < S+ 0 0 12 -4,-1.1 3,-0.2 1,-0.2 -1,-0.2 0.894 109.3 38.7 -61.8 -41.7 -10.7 18.7 -2.7 189 219 A L H < S+ 0 0 22 -4,-1.0 -144,-0.4 -3,-0.3 3,-0.2 0.886 128.9 27.5 -74.5 -42.8 -7.3 17.9 -1.1 190 220 A F H >X S+ 0 0 33 -4,-1.7 4,-3.1 1,-0.2 3,-1.3 -0.032 70.2 129.0-122.5 31.3 -6.9 14.3 -2.0 191 221 A S H 3X + 0 0 40 -4,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.790 68.6 68.9 -54.9 -33.6 -8.9 13.7 -5.2 192 222 A G H 34 S+ 0 0 42 -3,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.847 117.7 21.5 -55.1 -37.6 -5.8 12.0 -6.8 193 223 A F H X4 S+ 0 0 135 -3,-1.3 3,-1.0 2,-0.1 -2,-0.2 0.821 122.5 55.8 -96.0 -42.3 -6.2 9.1 -4.4 194 224 A L H >< S+ 0 0 60 -4,-3.1 3,-1.5 1,-0.2 -3,-0.2 0.609 86.9 79.2 -73.9 -13.0 -9.9 9.4 -3.4 195 225 A K T 3< S+ 0 0 94 -4,-1.7 -1,-0.2 1,-0.3 -3,-0.1 0.781 88.2 57.2 -67.4 -26.1 -11.3 9.3 -7.0 196 226 A Y T < S+ 0 0 157 -3,-1.0 -1,-0.3 -5,-0.1 -2,-0.1 0.391 102.5 71.0 -83.2 2.1 -10.9 5.4 -7.1 197 227 A F S < S- 0 0 122 -3,-1.5 -4,-0.0 -4,-0.1 0, 0.0 -0.872 92.7 -94.1-121.4 152.0 -13.1 5.0 -4.0 198 228 A P + 0 0 111 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.270 64.4 120.5 -58.8 149.0 -16.8 5.5 -3.4 199 229 A G S >> S- 0 0 37 -4,-0.1 3,-1.4 1,-0.1 4,-0.8 -0.975 75.5 -58.4 175.2-175.2 -17.9 8.9 -2.0 200 230 A T H 3> S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.2 3,-0.5 0.792 118.4 70.2 -55.7 -31.5 -19.9 12.0 -2.5 201 231 A H H 3> S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.747 94.2 53.2 -64.4 -26.8 -18.2 12.7 -5.8 202 232 A R H <> S+ 0 0 120 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.819 109.9 48.0 -77.0 -32.9 -19.9 9.8 -7.6 203 233 A Q H X S+ 0 0 66 -4,-0.8 4,-2.6 -3,-0.5 -2,-0.2 0.918 111.8 48.4 -70.4 -47.1 -23.4 11.0 -6.6 204 234 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.883 111.2 54.1 -58.5 -38.7 -22.6 14.5 -7.7 205 235 A Y H X S+ 0 0 111 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.942 110.7 43.2 -59.8 -50.6 -21.4 12.9 -10.9 206 236 A R H X S+ 0 0 148 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.883 113.9 51.8 -64.1 -40.8 -24.6 11.0 -11.5 207 237 A N H X S+ 0 0 2 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.914 112.6 42.8 -64.1 -46.5 -26.9 13.9 -10.6 208 238 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.815 112.9 53.6 -72.9 -30.6 -25.2 16.4 -12.9 209 239 A Q H X S+ 0 0 61 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.859 103.4 56.9 -69.1 -37.5 -25.0 13.8 -15.8 210 240 A E H X S+ 0 0 60 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.768 112.0 43.0 -61.5 -29.0 -28.7 13.2 -15.5 211 241 A I H X S+ 0 0 13 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.869 109.7 54.7 -85.4 -42.0 -29.2 16.9 -16.1 212 242 A N H X S+ 0 0 10 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.873 108.3 51.9 -52.8 -39.8 -26.7 17.1 -18.9 213 243 A T H X S+ 0 0 84 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.914 109.7 48.2 -63.6 -44.2 -28.7 14.3 -20.4 214 244 A F H X S+ 0 0 43 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.872 113.9 46.9 -63.2 -39.1 -31.9 16.4 -20.0 215 245 A I H >X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 3,-0.6 0.956 107.6 57.5 -65.1 -50.2 -30.1 19.4 -21.5 216 246 A G H 3X S+ 0 0 17 -4,-3.1 4,-1.2 1,-0.3 -2,-0.2 0.861 110.5 42.2 -47.3 -47.3 -28.7 17.2 -24.4 217 247 A Q H 3X S+ 0 0 96 -4,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.726 110.9 56.1 -76.8 -23.5 -32.2 16.2 -25.5 218 248 A S H X S+ 0 0 11 -4,-2.1 4,-0.7 2,-0.2 3,-0.5 0.921 107.4 52.8 -72.6 -48.2 -34.5 22.9 -30.2 223 253 A R H 3< S+ 0 0 133 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.758 115.9 44.1 -56.4 -26.2 -32.4 21.8 -33.2 224 254 A A H 3< S+ 0 0 83 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.623 118.6 39.2 -97.2 -21.1 -35.7 20.3 -34.6 225 255 A T H << S+ 0 0 79 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.1 0.208 87.8 140.9-110.9 12.5 -38.1 23.1 -33.8 226 256 A L < - 0 0 54 -4,-0.7 3,-0.1 1,-0.1 -3,-0.1 -0.303 32.5-173.0 -66.1 132.9 -35.6 25.8 -34.8 227 257 A D > - 0 0 78 3,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.903 10.4-160.0-122.8 98.1 -36.8 28.9 -36.6 228 258 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 12,-0.0 0.790 90.3 57.3 -46.1 -36.5 -33.6 30.9 -37.6 229 259 A S T 3 S+ 0 0 117 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 0.795 117.7 31.7 -68.9 -29.0 -35.7 34.1 -38.0 230 260 A N S < S- 0 0 98 -3,-1.9 2,-0.4 6,-0.0 -3,-0.3 -0.684 72.5-166.3-136.4 81.0 -37.0 33.9 -34.5 231 261 A P - 0 0 37 0, 0.0 -5,-0.0 0, 0.0 6,-0.0 -0.554 5.9-161.5 -72.7 121.6 -34.6 32.4 -31.8 232 262 A R - 0 0 90 -2,-0.4 2,-0.2 -78,-0.1 -78,-0.0 0.679 58.0 -16.1 -80.1 -21.2 -36.7 31.7 -28.7 233 263 A D S > S- 0 0 5 -79,-0.1 4,-1.9 -80,-0.1 -80,-0.2 -0.860 86.6 -59.2-163.6-171.3 -34.0 31.4 -26.1 234 264 A F H > S+ 0 0 2 -82,-2.9 4,-2.0 -2,-0.2 -81,-0.2 0.885 125.2 50.6 -57.4 -45.0 -30.3 30.9 -25.1 235 265 A I H > S+ 0 0 0 -82,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.918 108.1 51.1 -65.4 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