==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-11 3TMZ . COMPND 2 MOLECULE: CYTOCHROME P450 2B4; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR M.B.SHAH,J.PASCUAL,C.D.STOUT,J.R.HALPERT . 463 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 69.3 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 . 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 . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 42.3 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 0 1 0 1 1 1 2 2 2 1 2 0 0 0 0 0 0 1 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 . 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.8 23.6 25.2 2.8 2 29 A K + 0 0 140 351,-0.1 352,-1.3 2,-0.1 353,-0.0 0.835 360.0 74.8-101.9 -49.5 25.9 23.8 5.5 3 30 A L S S- 0 0 40 350,-0.2 352,-0.1 1,-0.1 37,-0.1 -0.176 100.1 -83.8 -59.8 157.5 26.6 20.2 4.4 4 31 A P - 0 0 5 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 -0.231 55.5 -93.6 -63.0 155.3 28.9 19.8 1.5 5 32 A P + 0 0 48 0, 0.0 35,-1.3 0, 0.0 30,-0.0 -0.347 58.2 140.1 -73.3 152.4 27.5 20.1 -1.9 6 33 A G - 0 0 23 33,-0.2 35,-0.1 -3,-0.1 33,-0.0 -0.947 53.2 -46.0-174.8 179.3 26.3 17.1 -3.9 7 34 A P - 0 0 11 0, 0.0 35,-0.2 0, 0.0 8,-0.1 -0.257 65.1 -97.7 -68.1 149.1 23.5 16.0 -6.3 8 35 A S - 0 0 101 1,-0.1 2,-0.3 33,-0.1 33,-0.0 -0.464 45.4-136.8 -69.1 128.1 19.9 16.9 -5.4 9 36 A P - 0 0 53 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.624 2.1-128.9 -94.3 146.3 18.2 13.9 -3.7 10 37 A L B > -A 14 0A 68 4,-2.2 4,-0.7 -2,-0.3 6,-0.1 -0.335 39.7-101.0 -77.6 168.7 14.8 12.3 -4.1 11 38 A P T 4 S+ 0 0 119 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.866 102.9 6.8 -69.2 -49.0 12.8 11.8 -0.9 12 39 A V T 4 S+ 0 0 97 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.732 135.8 44.3-108.7 -30.7 13.0 8.3 0.2 13 40 A L T >4 S- 0 0 58 1,-0.3 3,-2.0 32,-0.1 31,-0.8 0.431 85.2-165.1 -95.0 -10.0 15.5 7.0 -2.2 14 41 A G B 3< -AB 10 43A 0 -4,-0.7 -4,-2.2 1,-0.2 3,-0.4 -0.266 67.5 -22.8 52.7-130.0 17.9 9.9 -2.0 15 42 A N T > S+ 0 0 0 27,-3.3 3,-0.9 -6,-0.2 -1,-0.2 0.186 106.2 108.3 -96.1 16.0 20.4 9.8 -4.9 16 43 A L G X S+ 0 0 43 -3,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.872 71.6 58.0 -64.1 -41.7 20.0 6.1 -5.6 17 44 A L G 3 S+ 0 0 119 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.722 110.9 46.6 -60.6 -19.1 18.1 6.4 -8.9 18 45 A Q G < S+ 0 0 107 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.382 106.0 77.0-101.9 0.4 21.1 8.5 -10.1 19 46 A M < 0 0 25 -3,-1.9 5,-0.1 -4,-0.1 -3,-0.0 -0.558 360.0 360.0-106.0 172.0 23.6 6.0 -8.8 20 47 A D 0 0 121 -2,-0.2 4,-0.2 3,-0.2 -1,-0.1 0.631 360.0 360.0-107.8 360.0 24.8 2.6 -10.1 21 ! 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 22 49 A K 0 0 119 0, 0.0 2,-0.4 0, 0.0 426,-0.1 0.000 360.0 360.0 360.0-101.3 27.3 -1.2 -12.2 23 50 A G > - 0 0 17 1,-0.1 4,-1.2 426,-0.0 3,-0.3 -0.919 360.0-154.6-117.1 133.2 29.7 0.3 -9.6 24 51 A L H > S+ 0 0 51 -2,-0.4 4,-2.7 424,-0.3 5,-0.3 0.848 98.1 64.6 -59.3 -35.9 29.4 2.8 -6.8 25 52 A L H > S+ 0 0 22 423,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.919 101.8 46.8 -58.2 -45.3 33.1 3.6 -7.2 26 53 A R H > S+ 0 0 126 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.782 112.2 52.0 -69.0 -24.9 32.7 5.0 -10.7 27 54 A S H X S+ 0 0 14 -4,-1.2 4,-4.0 2,-0.2 5,-0.3 0.970 109.6 46.7 -71.8 -54.9 29.7 7.1 -9.5 28 55 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.871 113.3 53.3 -44.6 -44.7 31.6 8.6 -6.6 29 56 A L H X S+ 0 0 57 -4,-2.2 4,-0.9 -5,-0.3 -2,-0.2 0.887 111.4 42.3 -67.0 -40.0 34.3 9.2 -9.2 30 57 A R H >X S+ 0 0 65 -4,-2.0 4,-1.3 1,-0.2 3,-0.8 0.951 113.4 53.9 -70.2 -43.2 31.9 11.0 -11.6 31 58 A L H 3X S+ 0 0 26 -4,-4.0 4,-2.6 1,-0.3 5,-0.3 0.781 105.0 54.2 -57.4 -29.1 30.4 12.9 -8.6 32 59 A R H 3X S+ 0 0 66 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.3 0.822 101.9 59.2 -71.3 -31.7 33.9 14.1 -7.6 33 60 A E H << S+ 0 0 174 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.863 116.7 31.7 -65.5 -40.2 34.4 15.4 -11.2 34 61 A K H < S+ 0 0 168 -4,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.915 133.7 26.5 -78.6 -52.5 31.3 17.8 -10.7 35 62 A Y H < S- 0 0 70 -4,-2.6 3,-0.4 1,-0.3 -3,-0.2 0.548 100.1-128.1 -97.9 -11.0 31.5 18.6 -7.0 36 63 A G < - 0 0 28 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.530 52.4 -33.3 94.4-162.0 35.2 18.2 -6.0 37 64 A D S S+ 0 0 50 -2,-0.2 15,-3.0 1,-0.1 2,-0.4 0.614 124.4 43.7 -81.9 -15.0 36.9 16.2 -3.2 38 65 A V E S+C 51 0B 6 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.990 72.4 152.9-131.7 125.4 34.2 16.4 -0.5 39 66 A F E -C 50 0B 0 11,-1.6 11,-3.2 -2,-0.4 2,-0.5 -0.948 38.0-117.7-150.4 167.3 30.6 15.9 -1.3 40 67 A T E +C 49 0B 5 -35,-1.3 2,-0.4 -2,-0.3 9,-0.2 -0.918 25.9 179.3-111.9 126.9 27.2 14.8 0.1 41 68 A V E -C 48 0B 0 7,-2.3 7,-2.9 -2,-0.5 2,-0.8 -0.983 23.9-138.8-125.2 144.6 25.3 11.8 -1.2 42 69 A Y E -C 47 0B 64 -2,-0.4 -27,-3.3 5,-0.2 2,-0.9 -0.900 17.0-175.6-101.4 104.0 21.9 10.6 0.0 43 70 A L B S-B 14 0A 31 3,-1.2 2,-0.4 -2,-0.8 3,-0.4 -0.834 78.1 -32.2-102.2 89.0 22.1 6.8 0.1 44 71 A G S S- 0 0 4 -2,-0.9 -29,-0.1 -31,-0.8 -28,-0.1 -0.822 121.6 -33.6 86.3-134.7 18.5 6.4 1.1 45 72 A S S S+ 0 0 83 -2,-0.4 -1,-0.2 147,-0.2 -32,-0.1 0.776 119.7 79.3 -96.0 -23.5 17.1 9.1 3.3 46 73 A R S S- 0 0 86 -3,-0.4 -3,-1.2 1,-0.1 2,-0.3 -0.504 78.0-119.7 -86.8 151.8 20.3 9.9 5.3 47 74 A P E -C 42 0B 28 0, 0.0 313,-0.8 0, 0.0 2,-0.4 -0.652 22.1-164.5 -87.7 143.3 23.3 12.0 4.0 48 75 A V E -Cd 41 360B 6 -7,-2.9 -7,-2.3 -2,-0.3 2,-0.6 -0.996 13.1-141.1-130.3 129.9 26.8 10.6 3.7 49 76 A V E -Cd 40 361B 0 311,-2.5 313,-2.5 -2,-0.4 2,-0.6 -0.801 17.7-154.0 -92.3 126.3 29.8 12.7 3.3 50 77 A V E -Cd 39 362B 0 -11,-3.2 -11,-1.6 -2,-0.6 2,-0.7 -0.886 3.5-157.9-105.9 118.1 32.3 11.3 0.9 51 78 A L E +Cd 38 363B 0 311,-2.5 313,-2.3 -2,-0.6 2,-0.3 -0.860 17.2 178.8 -94.0 112.8 36.0 12.1 1.2 52 79 A C > + 0 0 0 -15,-3.0 4,-0.6 -2,-0.7 5,-0.2 -0.758 43.1 32.3-107.8 157.7 37.8 11.6 -2.1 53 80 A G H > S- 0 0 2 311,-0.3 4,-1.7 -2,-0.3 315,-0.2 0.360 89.3 -88.7 73.4 146.4 41.5 12.2 -2.7 54 81 A T H > S+ 0 0 2 313,-0.4 4,-2.3 1,-0.2 5,-0.2 0.862 122.3 54.7 -49.7 -44.7 44.4 11.9 -0.3 55 82 A D H > S+ 0 0 81 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.956 107.1 45.0 -61.2 -61.2 44.0 15.4 0.9 56 83 A A H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.903 114.9 50.7 -54.6 -39.0 40.4 15.4 2.0 57 84 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.905 112.4 45.2 -71.8 -40.7 40.9 12.1 3.7 58 85 A R H X>S+ 0 0 70 -4,-2.3 4,-2.2 2,-0.2 5,-1.6 0.921 111.4 52.5 -67.7 -40.1 44.0 13.3 5.6 59 86 A E H <>S+ 0 0 63 -4,-3.1 5,-1.1 3,-0.2 -2,-0.2 0.901 117.3 39.1 -63.9 -41.1 42.4 16.5 6.7 60 87 A A H X5S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 8,-0.3 0.991 125.8 30.7 -67.0 -64.0 39.4 14.7 8.0 61 88 A L H <5S+ 0 0 3 -4,-2.5 345,-0.5 -5,-0.2 -3,-0.2 0.681 132.4 28.5 -80.4 -21.9 40.9 11.6 9.7 62 89 A V T ><5S+ 0 0 57 -4,-2.2 3,-0.8 -5,-0.3 -3,-0.2 0.854 125.1 36.8-103.6 -53.4 44.3 13.0 10.7 63 90 A D T 344 S+ 0 0 77 1,-0.3 3,-1.6 2,-0.2 279,-0.3 0.900 110.0 52.3 -54.5 -44.1 38.8 12.9 17.2 67 94 A A G 34 S+ 0 0 3 1,-0.3 278,-2.1 -3,-0.1 3,-0.3 0.842 113.8 44.6 -54.7 -34.2 35.8 14.4 15.4 68 95 A F G << S+ 0 0 2 -3,-1.7 -1,-0.3 -4,-1.2 -2,-0.2 0.061 85.4 96.7-103.9 21.6 36.2 11.8 12.7 69 96 A S < + 0 0 6 -3,-1.6 -1,-0.2 -5,-0.1 2,-0.2 0.202 53.4 116.1 -98.4 14.3 36.7 8.7 15.0 70 97 A G E -E 343 0B 0 273,-1.9 273,-1.3 -3,-0.3 2,-0.5 -0.480 61.0-130.0 -79.9 151.2 33.1 7.6 15.0 71 98 A R E -E 342 0B 24 271,-0.3 2,-0.3 -2,-0.2 271,-0.3 -0.931 16.2-132.9-106.2 125.4 32.1 4.1 13.5 72 99 A G - 0 0 3 269,-1.5 2,-0.1 -2,-0.5 271,-0.1 -0.550 25.3-114.2 -71.0 130.0 29.2 3.9 11.1 73 100 A K - 0 0 141 -2,-0.3 2,-0.6 269,-0.1 -1,-0.1 -0.381 16.3-155.4 -54.7 135.9 26.6 1.1 11.7 74 101 A I >> - 0 0 51 -2,-0.1 3,-1.6 1,-0.1 4,-1.0 -0.933 9.9-159.2-114.9 101.9 26.3 -1.7 9.1 75 102 A A T 34 S+ 0 0 19 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.648 81.7 68.7 -65.2 -17.7 22.7 -2.9 9.7 76 103 A V T 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.1 132,-0.1 0.789 117.2 23.6 -69.9 -28.9 23.2 -6.3 8.1 77 104 A V T X> S+ 0 0 5 -3,-1.6 4,-2.0 2,-0.1 3,-0.7 0.402 98.7 92.9-118.2 -0.5 25.4 -7.3 11.0 78 105 A D H 3X S+ 0 0 44 -4,-1.0 4,-1.9 1,-0.2 -2,-0.1 0.830 76.9 62.0 -61.5 -36.8 24.2 -5.0 13.7 79 106 A P H 34 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.801 112.9 40.1 -67.5 -19.6 21.6 -7.3 15.3 80 107 A I H <4 S+ 0 0 14 -3,-0.7 -2,-0.2 -4,-0.0 -3,-0.1 0.916 126.7 31.5 -78.9 -51.9 24.5 -9.6 16.1 81 108 A F H >< - 0 0 0 -4,-2.0 3,-1.1 2,-0.1 -3,-0.2 0.908 69.6-171.4 -84.0 -46.5 27.1 -7.0 17.1 82 109 A Q T 3< S- 0 0 111 -4,-1.9 3,-0.1 1,-0.3 -4,-0.1 0.912 77.9 -53.7 57.3 42.2 25.1 -4.2 18.7 83 110 A G T 3 S+ 0 0 17 1,-0.2 7,-0.3 6,-0.1 2,-0.3 0.734 103.7 131.2 62.9 27.9 28.2 -2.1 18.9 84 111 A Y < + 0 0 29 -3,-1.1 -1,-0.2 5,-0.1 4,-0.1 -0.770 44.4 43.5-105.6 158.0 30.4 -4.5 20.7 85 112 A G S >> S- 0 0 0 -2,-0.3 4,-1.7 175,-0.1 3,-0.9 0.125 95.3 -82.9 86.0 152.8 34.0 -5.3 19.6 86 113 A V G >4 S+ 0 0 11 1,-0.2 3,-1.0 2,-0.2 12,-0.1 0.960 125.1 51.2 -56.1 -59.4 36.6 -3.0 18.4 87 114 A I G 34 S+ 0 0 49 1,-0.3 -1,-0.2 177,-0.1 -2,-0.1 0.614 122.0 34.0 -60.4 -12.6 35.5 -2.6 14.8 88 115 A F G <4 S+ 0 0 31 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.515 94.7 102.0-112.7 -17.5 32.0 -1.8 15.9 89 116 A A << - 0 0 0 -4,-1.7 2,-0.3 -3,-1.0 -5,-0.1 -0.385 48.1-159.2 -75.4 155.6 32.2 0.2 19.2 90 117 A N >> - 0 0 71 -7,-0.3 4,-1.3 -20,-0.1 3,-0.8 -0.868 49.7 -10.4-126.9 161.2 31.9 4.0 19.7 91 118 A G H 3> S- 0 0 33 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.072 124.1 -8.3 53.8-141.1 33.0 6.5 22.5 92 119 A E H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.825 133.3 58.3 -62.8 -34.1 34.4 5.1 25.8 93 120 A R H <> S+ 0 0 68 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.977 110.4 44.2 -57.1 -49.4 33.6 1.5 25.0 94 121 A W H X S+ 0 0 14 -4,-1.3 4,-3.2 1,-0.2 5,-0.3 0.936 112.5 51.6 -59.3 -47.8 35.7 1.7 21.8 95 122 A R H X S+ 0 0 89 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.918 114.1 43.3 -56.9 -46.1 38.6 3.6 23.6 96 123 A A H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 114.4 48.3 -68.1 -47.0 38.8 1.0 26.3 97 124 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.937 115.9 46.5 -60.3 -42.3 38.4 -2.1 24.1 98 125 A R H X S+ 0 0 34 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.921 112.5 46.5 -68.2 -47.7 41.1 -0.6 21.8 99 126 A R H X S+ 0 0 134 -4,-2.8 4,-3.4 -5,-0.3 5,-0.2 0.953 113.3 51.3 -59.2 -47.7 43.6 0.3 24.5 100 127 A F H X S+ 0 0 12 -4,-2.8 4,-0.6 -5,-0.2 -2,-0.2 0.924 108.6 50.7 -56.5 -43.7 43.1 -3.1 26.1 101 128 A S H >X>S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.2 3,-0.8 0.932 114.1 44.6 -61.5 -42.8 43.8 -4.9 22.8 102 129 A L H 3X5S+ 0 0 68 -4,-2.1 4,-1.3 1,-0.3 -2,-0.2 0.952 111.5 51.7 -62.5 -51.7 47.0 -2.9 22.3 103 130 A A H 3<5S+ 0 0 67 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.622 123.6 33.2 -57.5 -10.3 48.0 -3.4 25.9 104 131 A T H X<5S+ 0 0 3 -3,-0.8 3,-1.3 -4,-0.6 -2,-0.2 0.841 117.6 42.0-111.8 -65.9 47.4 -7.2 25.2 105 132 A M H 3<5S+ 0 0 31 -4,-3.1 3,-0.4 1,-0.3 10,-0.2 0.626 108.4 63.7 -66.6 -17.8 48.2 -8.3 21.5 106 133 A R T 3< - 0 0 36 -6,-0.4 4,-2.2 -2,-0.3 5,-0.2 -0.263 18.2-116.9 -75.6 157.6 55.2 -14.2 19.7 115 142 A V H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.952 118.9 55.0 -50.7 -48.2 52.7 -13.4 16.9 116 143 A E H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.944 107.0 47.4 -55.2 -49.1 55.6 -13.6 14.6 117 144 A E H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 110.5 53.7 -63.0 -34.8 56.6 -17.1 15.7 118 145 A R H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.852 109.2 48.0 -63.0 -38.2 53.0 -18.2 15.4 119 146 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 -3,-0.4 -2,-0.2 0.926 109.8 52.1 -74.7 -42.5 52.9 -16.9 11.8 120 147 A Q H X S+ 0 0 49 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.876 111.3 48.4 -56.8 -40.4 56.2 -18.7 11.0 121 148 A E H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.865 110.7 49.1 -67.1 -40.5 54.6 -21.9 12.4 122 149 A E H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.934 110.6 53.3 -63.1 -36.9 51.4 -21.4 10.3 123 150 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 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3,-1.7 -3,-0.6 -1,-0.3 0.710 91.2-150.0 -62.6 -19.1 49.1 -31.4 -3.3 134 161 A K T < 5 - 0 0 183 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.1 0.801 65.2 -54.9 55.1 30.0 52.0 -32.7 -5.5 135 162 A G T 3 - 0 0 80 -2,-0.3 3,-0.5 319,-0.2 4,-0.4 -0.958 23.5-156.6 -95.0 117.3 41.9 -23.1 -5.8 140 167 A N T 3> + 0 0 1 -2,-0.6 4,-2.4 317,-0.3 5,-0.3 0.442 67.6 100.7 -80.8 0.4 43.9 -21.5 -2.9 141 168 A T H 3> S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.940 82.8 45.2 -45.7 -53.3 40.7 -19.8 -1.4 142 169 A L H <> S+ 0 0 78 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.914 114.4 47.0 -63.0 -50.5 40.2 -22.4 1.3 143 170 A L H > S+ 0 0 25 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.890 112.4 49.1 -57.9 -41.9 43.8 -22.6 2.4 144 171 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.862 112.2 47.9 -74.3 -36.2 44.3 -18.8 2.6 145 172 A H H X S+ 0 0 19 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.3 0.854 113.1 51.7 -60.2 -36.0 41.1 -18.4 4.6 146 173 A S H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.911 108.0 48.9 -74.6 -42.9 42.4 -21.2 6.9 147 174 A I H X S+ 0 0 0 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0 0 26 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.870 96.1 52.7 -61.5 -36.0 20.0 -11.0 6.9 205 232 A R H <> S+ 0 0 124 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.859 112.0 46.9 -69.3 -30.3 18.3 -14.0 8.5 206 233 A Q H X S+ 0 0 86 -4,-0.9 4,-1.9 -3,-0.2 -2,-0.2 0.768 111.6 49.5 -77.0 -37.5 21.1 -16.2 7.1 207 234 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.955 111.6 50.4 -62.2 -48.8 23.9 -13.9 8.3 208 235 A Y H X S+ 0 0 108 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.959 113.7 43.5 -54.7 -61.0 22.2 -13.7 11.7 209 236 A R H X S+ 0 0 153 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.835 113.9 50.2 -54.4 -41.1 22.0 -17.6 12.0 210 237 A N H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.944 115.6 43.0 -64.5 -43.6 25.5 -18.2 10.7 211 238 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.912 111.5 52.8 -71.0 -40.7 27.1 -15.6 13.1 212 239 A Q H X S+ 0 0 87 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.855 106.7 55.3 -64.6 -30.7 25.0 -16.7 16.1 213 240 A E H X S+ 0 0 53 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.894 109.0 45.9 -70.1 -31.4 26.2 -20.3 15.4 214 241 A I H X S+ 0 0 16 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.934 109.0 55.8 -74.8 -41.6 29.8 -19.1 15.6 215 242 A N H X S+ 0 0 23 -4,-2.8 4,-3.6 1,-0.2 -2,-0.2 0.872 102.1 58.0 -52.8 -39.3 29.1 -17.1 18.8 216 243 A T H X S+ 0 0 71 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.918 108.8 44.0 -57.1 -51.2 27.8 -20.3 20.4 217 244 A F H X S+ 0 0 73 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.889 113.9 49.4 -68.1 -35.1 31.2 -21.9 19.7 218 245 A I H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 3,-0.4 0.961 110.4 53.1 -58.9 -52.2 33.1 -18.8 21.0 219 246 A G H X S+ 0 0 11 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.896 108.7 48.5 -45.3 -50.9 30.8 -18.9 24.0 220 247 A Q H X S+ 0 0 97 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.810 109.5 53.1 -66.5 -27.2 31.7 -22.5 24.7 221 248 A S H X S+ 0 0 19 -4,-1.6 4,-2.2 -3,-0.4 -2,-0.2 0.924 105.0 54.0 -76.7 -38.6 35.4 -21.8 24.3 222 249 A V H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.903 108.7 49.0 -51.6 -45.8 35.2 -18.9 26.9 223 250 A E H X S+ 0 0 123 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.856 110.8 51.0 -67.7 -36.4 33.6 -21.3 29.6 224 251 A K H X S+ 0 0 117 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.847 109.3 50.4 -67.7 -37.9 36.3 -23.9 28.9 225 252 A H H < S+ 0 0 8 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.940 112.4 47.5 -65.4 -44.8 39.0 -21.2 29.3 226 253 A R H >< S+ 0 0 153 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.930 110.9 49.4 -62.5 -45.5 37.5 -20.1 32.6 227 254 A A H 3< S+ 0 0 83 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.716 120.9 37.5 -65.9 -24.6 37.1 -23.7 34.0 228 255 A T T 3< S+ 0 0 79 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.175 89.9 142.4-108.9 17.5 40.7 -24.4 33.1 229 256 A L < - 0 0 45 -3,-1.3 -3,-0.1 -4,-0.2 3,-0.0 -0.159 33.4-171.0 -72.8 144.9 42.2 -20.9 33.9 230 257 A D > - 0 0 78 3,-0.1 3,-1.9 1,-0.1 -1,-0.0 -0.904 10.3-162.1-127.5 99.8 45.7 -20.3 35.6 231 258 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.631 87.9 58.4 -63.9 -9.4 45.6 -16.6 36.4 232 259 A S T 3 S+ 0 0 100 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.591 113.7 36.6 -91.3 -12.1 49.4 -16.7 36.7 233 260 A N S < S- 0 0 109 -3,-1.9 -1,-0.2 -123,-0.0 -3,-0.1 -0.499 76.5-166.1-137.8 68.6 49.9 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