==== 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 26-AUG-04 1WOW . COMPND 2 MOLECULE: HEME OXYGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR M.SUGISHIMA,Y.HAGIWARA,X.ZHANG,T.YOSHIDA,C.T.MIGITA,K.FUKUYA . 487 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 2 8 0 0 0 4 2 0 0 2 2 0 0 0 0 0 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 81 0, 0.0 3,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0-174.2 -8.4 8.9 15.3 2 3 A N > + 0 0 108 1,-0.1 4,-2.5 2,-0.1 3,-0.2 -0.142 360.0 125.5-119.7 36.0 -6.2 6.1 14.0 3 4 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 71.1 58.7 -59.2 -42.3 -3.0 7.2 15.9 4 5 A A H > S+ 0 0 3 170,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.885 113.7 36.2 -55.4 -43.5 -2.7 3.7 17.3 5 6 A Q H >>S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 5,-0.5 0.796 111.7 60.1 -81.5 -30.6 -2.5 2.1 13.9 6 7 A K H X5S+ 0 0 89 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.914 109.9 44.0 -62.3 -39.8 -0.5 5.0 12.4 7 8 A L H X5S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.945 111.8 53.8 -68.0 -48.8 2.1 4.2 15.1 8 9 A R H <5S+ 0 0 73 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.944 123.5 24.3 -50.7 -59.8 1.9 0.4 14.5 9 10 A Y H ><5S+ 0 0 147 -4,-2.4 3,-1.1 1,-0.2 4,-0.4 0.831 117.1 63.0 -79.4 -32.4 2.5 0.5 10.7 10 11 A G H 3< S+ 0 0 50 -3,-1.1 4,-1.8 1,-0.2 221,-0.2 0.884 81.0 46.2 -54.1 -45.7 7.0 -1.1 11.3 13 14 A Q H > S+ 0 0 148 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.896 110.1 52.5 -67.5 -41.7 10.2 -0.7 9.4 14 15 A S H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.858 106.8 55.2 -62.5 -34.6 12.1 0.8 12.4 15 16 A H H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.957 107.7 47.4 -62.9 -49.7 10.9 -2.2 14.4 16 17 A T H X S+ 0 0 31 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.945 110.9 52.4 -56.5 -48.0 12.5 -4.7 11.9 17 18 A L H < S+ 0 0 80 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.888 107.1 53.1 -55.3 -41.1 15.7 -2.6 11.9 18 19 A A H >< S+ 0 0 15 -4,-2.2 3,-1.3 1,-0.3 6,-0.3 0.897 107.2 50.8 -61.8 -42.2 15.8 -2.8 15.7 19 20 A E H 3< S+ 0 0 19 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.705 108.7 55.1 -68.3 -19.6 15.5 -6.6 15.6 20 21 A N T 3< S+ 0 0 22 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.198 76.6 117.9-102.6 19.0 18.3 -6.6 13.1 21 22 A T S <> S- 0 0 21 -3,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.542 79.1-113.3 -78.5 151.9 20.9 -4.7 15.2 22 23 A A H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 116.7 54.7 -53.1 -38.5 24.0 -6.8 16.0 23 24 A Y H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.969 112.4 39.0 -60.3 -57.7 23.0 -6.7 19.7 24 25 A M H > S+ 0 0 37 -6,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.790 111.7 58.3 -66.2 -30.0 19.5 -8.1 19.2 25 26 A K H X S+ 0 0 11 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.969 113.8 38.0 -63.6 -50.7 20.5 -10.6 16.6 26 27 A C H ><>S+ 0 0 1 -4,-2.1 5,-2.5 -5,-0.2 3,-0.7 0.935 117.1 53.9 -63.7 -44.3 23.0 -12.2 19.0 27 28 A F H ><5S+ 0 0 4 -4,-2.9 3,-1.9 -5,-0.2 -2,-0.2 0.941 107.6 47.9 -54.4 -55.4 20.5 -11.7 21.8 28 29 A L H 3<5S+ 0 0 16 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.690 107.1 58.2 -62.7 -18.7 17.6 -13.5 20.0 29 30 A K T <<5S- 0 0 10 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.472 130.2 -90.6 -90.8 -1.1 20.0 -16.4 19.1 30 31 A G T < 5S+ 0 0 4 -3,-1.9 2,-1.1 -4,-0.4 -3,-0.2 0.346 84.5 132.5 112.0 -5.6 20.7 -17.0 22.8 31 32 A I < + 0 0 2 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.687 20.0 153.6 -85.7 97.2 23.8 -14.8 23.3 32 33 A V - 0 0 3 -2,-1.1 2,-0.4 107,-0.1 3,-0.1 -0.984 21.9-166.9-125.3 116.1 23.2 -12.8 26.5 33 34 A E > - 0 0 29 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.870 22.0-133.6-104.2 136.2 26.3 -11.7 28.4 34 35 A R H > S+ 0 0 99 -2,-0.4 4,-2.9 2,-0.2 5,-0.3 0.918 99.4 51.2 -55.3 -49.7 25.9 -10.3 32.0 35 36 A E H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.971 115.3 36.8 -57.3 -62.9 28.1 -7.3 31.5 36 37 A P H > S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.861 117.9 54.7 -61.4 -29.0 26.6 -5.7 28.4 37 38 A F H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.928 108.6 44.8 -69.5 -44.3 23.1 -6.8 29.5 38 39 A R H X S+ 0 0 66 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.779 110.9 56.1 -71.8 -22.2 23.3 -5.1 32.9 39 40 A Q H X S+ 0 0 42 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.809 107.0 50.2 -75.4 -28.8 24.8 -2.0 31.2 40 41 A L H X S+ 0 0 17 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.947 109.9 49.0 -71.0 -48.5 21.7 -2.0 29.0 41 42 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.858 110.0 52.3 -59.0 -37.2 19.4 -2.2 32.0 42 43 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.937 109.4 49.6 -64.4 -45.7 21.3 0.6 33.6 43 44 A N H X S+ 0 0 3 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.912 110.3 50.4 -58.3 -41.1 20.8 2.7 30.5 44 45 A L H X S+ 0 0 7 -4,-2.7 4,-3.3 2,-0.2 5,-0.4 0.829 102.4 60.9 -68.1 -30.3 17.1 1.9 30.6 45 46 A Y H X S+ 0 0 31 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.965 108.3 43.7 -59.4 -49.2 16.9 2.9 34.2 46 47 A Y H X S+ 0 0 63 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.836 115.3 50.8 -63.7 -32.2 18.0 6.4 33.1 47 48 A L H X S+ 0 0 5 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.974 115.8 37.8 -69.0 -57.6 15.6 6.3 30.2 48 49 A Y H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.851 112.2 59.9 -64.4 -34.4 12.5 5.3 32.1 49 50 A S H X S+ 0 0 28 -4,-2.6 4,-1.7 -5,-0.4 -1,-0.2 0.934 111.4 39.8 -57.9 -48.9 13.4 7.5 35.1 50 51 A A H X S+ 0 0 16 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.864 116.8 49.8 -69.8 -38.8 13.3 10.6 32.9 51 52 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.985 114.8 42.2 -63.7 -57.3 10.3 9.5 31.0 52 53 A E H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.793 115.3 50.1 -60.6 -33.1 8.2 8.6 34.0 53 54 A A H X S+ 0 0 49 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.928 111.5 49.2 -71.0 -44.9 9.4 11.8 35.9 54 55 A A H X S+ 0 0 12 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.882 110.3 51.7 -60.1 -39.8 8.5 13.9 32.8 55 56 A L H < S+ 0 0 3 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.904 110.6 46.3 -65.7 -43.1 5.1 12.2 32.6 56 57 A R H >< S+ 0 0 107 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.910 111.5 52.4 -66.9 -40.9 4.2 12.9 36.2 57 58 A Q H 3< S+ 0 0 143 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.843 112.8 45.5 -62.8 -34.6 5.4 16.5 36.0 58 59 A H T >< S+ 0 0 44 -4,-1.6 3,-1.7 -5,-0.2 7,-0.3 0.103 71.4 112.0-101.4 24.4 3.2 17.2 32.9 59 60 A R T < + 0 0 118 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.439 62.8 79.1 -74.5 1.6 -0.1 15.6 34.0 60 61 A D T 3 S+ 0 0 135 -3,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.660 80.7 80.8 -77.7 -16.8 -1.6 19.1 34.0 61 62 A N S <> S- 0 0 47 -3,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.824 81.1-148.8 -92.4 106.0 -1.7 18.5 30.3 62 63 A E H > S+ 0 0 142 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.764 93.6 58.3 -46.5 -36.1 -4.8 16.4 29.7 63 64 A I H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.993 114.0 35.9 -58.9 -61.7 -3.2 14.6 26.7 64 65 A I H > S+ 0 0 0 -6,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.827 113.8 60.1 -60.6 -33.4 -0.3 13.2 28.8 65 66 A S H < S+ 0 0 58 -4,-2.7 3,-0.4 -7,-0.3 -1,-0.2 0.886 107.5 45.6 -63.0 -38.6 -2.6 12.8 31.8 66 67 A A H < S+ 0 0 44 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.845 113.8 47.5 -74.2 -34.6 -4.8 10.4 29.8 67 68 A I H < S+ 0 0 4 -4,-1.7 2,-0.7 -5,-0.2 -1,-0.2 0.478 87.7 102.8 -88.6 0.5 -1.8 8.4 28.4 68 69 A Y < + 0 0 24 -4,-0.8 -16,-0.0 -3,-0.4 -4,-0.0 -0.749 42.3 173.8 -88.5 115.7 -0.1 8.0 31.7 69 70 A F > - 0 0 42 -2,-0.7 3,-2.6 1,-0.1 4,-0.4 -0.853 14.3-166.8-122.1 93.1 -0.6 4.5 33.2 70 71 A P G > S+ 0 0 76 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.767 82.1 73.8 -51.7 -27.9 1.5 4.2 36.4 71 72 A E G 3 S+ 0 0 80 1,-0.3 88,-0.4 86,-0.1 87,-0.2 0.712 96.2 52.7 -61.4 -16.6 1.0 0.4 36.4 72 73 A L G < S+ 0 0 2 -3,-2.6 -1,-0.3 85,-0.1 -4,-0.0 0.624 77.8 131.5 -90.7 -17.7 3.4 0.3 33.5 73 74 A N < - 0 0 32 -3,-1.5 4,-0.3 -4,-0.4 -24,-0.1 -0.069 34.8-173.3 -41.4 125.0 6.1 2.3 35.3 74 75 A R > + 0 0 4 2,-0.1 4,-2.7 1,-0.1 5,-0.3 0.534 60.6 90.3-100.9 -10.5 9.5 0.5 34.9 75 76 A T H > S+ 0 0 20 1,-0.2 4,-1.9 -27,-0.2 5,-0.1 0.922 90.5 43.5 -55.9 -49.3 11.7 2.6 37.2 76 77 A D H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 114.7 50.5 -63.2 -42.5 11.1 0.6 40.4 77 78 A K H > S+ 0 0 18 -4,-0.3 4,-2.4 1,-0.2 77,-0.3 0.928 109.1 49.9 -61.2 -47.3 11.5 -2.7 38.6 78 79 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.883 106.0 57.5 -59.8 -38.3 14.8 -1.7 37.0 79 80 A A H X S+ 0 0 22 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.896 107.1 48.9 -59.4 -39.5 16.0 -0.6 40.4 80 81 A E H X S+ 0 0 106 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.961 112.9 46.3 -63.6 -51.4 15.3 -4.2 41.6 81 82 A D H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.912 112.2 50.5 -57.6 -44.8 17.1 -5.7 38.6 82 83 A L H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 5,-0.5 0.837 105.9 56.5 -63.6 -32.5 20.1 -3.3 39.0 83 84 A T H X S+ 0 0 61 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.895 110.5 45.6 -64.4 -38.9 20.3 -4.3 42.7 84 85 A Y H < S+ 0 0 70 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 120.6 36.7 -72.9 -37.6 20.7 -7.9 41.6 85 86 A Y H < S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.717 133.0 23.5 -89.7 -22.9 23.2 -7.2 38.9 86 87 A Y H < S- 0 0 42 -4,-2.6 3,-0.3 1,-0.3 -3,-0.2 0.510 105.8-118.0-118.8 -12.5 25.3 -4.5 40.6 87 88 A G >< - 0 0 22 -4,-1.3 3,-1.2 -5,-0.5 -1,-0.3 -0.362 51.3 -49.8 98.7 178.5 24.6 -4.9 44.3 88 89 A P T 3 S+ 0 0 125 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.650 134.5 58.1 -65.3 -16.4 22.9 -2.6 46.8 89 90 A N T >> S+ 0 0 96 -3,-0.3 3,-0.8 1,-0.2 4,-0.7 -0.070 70.6 123.0-103.8 32.9 25.2 0.3 45.7 90 91 A W H X> + 0 0 25 -3,-1.2 4,-2.8 1,-0.2 3,-1.7 0.921 62.8 59.9 -58.9 -51.7 24.0 0.1 42.1 91 92 A Q H 34 S+ 0 0 114 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.700 109.9 44.6 -54.7 -21.0 22.7 3.7 41.7 92 93 A Q H <4 S+ 0 0 155 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.597 116.7 46.2 -97.3 -14.7 26.2 5.0 42.5 93 94 A I H << S+ 0 0 92 -3,-1.7 -2,-0.2 -4,-0.7 -3,-0.1 0.877 88.9 93.0 -93.0 -45.8 27.9 2.5 40.2 94 95 A I < - 0 0 11 -4,-2.8 -55,-0.1 1,-0.0 -8,-0.0 -0.138 52.3-168.6 -55.6 141.6 25.9 2.6 37.0 95 96 A Q - 0 0 157 -56,-0.0 2,-0.2 0, 0.0 -52,-0.1 -0.997 20.6-125.7-134.3 128.3 27.0 5.0 34.2 96 97 A P - 0 0 30 0, 0.0 -56,-0.1 0, 0.0 -57,-0.0 -0.525 27.9-124.6 -73.6 140.1 24.9 5.8 31.1 97 98 A T >> - 0 0 15 -58,-0.2 3,-1.8 -2,-0.2 4,-1.6 -0.443 34.1 -94.0 -79.2 159.3 26.7 5.2 27.8 98 99 A P H 3> S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.831 125.4 46.4 -37.9 -52.0 27.0 8.2 25.3 99 100 A C H 3> S+ 0 0 28 1,-0.2 4,-2.0 104,-0.2 105,-0.2 0.724 107.1 57.2 -71.2 -19.9 23.9 7.3 23.4 100 101 A A H <> S+ 0 0 4 -3,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.823 105.5 52.0 -77.5 -29.6 21.8 6.8 26.5 101 102 A K H X S+ 0 0 110 -4,-1.6 4,-2.7 -3,-0.3 -2,-0.2 0.915 108.4 50.7 -69.2 -43.4 22.6 10.3 27.5 102 103 A I H X S+ 0 0 93 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.948 111.7 48.5 -58.2 -47.5 21.5 11.5 24.1 103 104 A Y H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.948 111.2 48.6 -57.6 -53.2 18.2 9.6 24.6 104 105 A V H X S+ 0 0 15 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.913 110.9 51.6 -54.2 -45.3 17.6 11.0 28.1 105 106 A D H X S+ 0 0 90 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.844 105.5 54.7 -62.5 -35.0 18.3 14.5 26.8 106 107 A R H X S+ 0 0 62 -4,-2.0 4,-2.3 -3,-0.3 5,-0.3 0.918 109.4 48.5 -64.4 -42.1 15.8 14.1 24.0 107 108 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.923 112.2 47.5 -63.6 -44.5 13.1 13.1 26.6 108 109 A K H X S+ 0 0 127 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.844 112.3 52.2 -67.0 -31.4 14.0 16.1 28.8 109 110 A T H >X S+ 0 0 77 -4,-2.1 4,-1.8 -5,-0.2 3,-1.3 0.991 112.8 39.7 -67.7 -61.8 13.9 18.4 25.8 110 111 A I H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.3 7,-0.2 0.785 105.2 68.6 -60.2 -27.7 10.4 17.5 24.4 111 112 A A H 3< S+ 0 0 6 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.840 111.4 32.7 -60.8 -31.5 9.0 17.3 27.9 112 113 A A H << S+ 0 0 84 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.788 129.1 32.4 -96.5 -31.0 9.3 21.0 28.1 113 114 A S H < S+ 0 0 79 -4,-1.8 -3,-0.2 1,-0.1 -2,-0.2 0.727 138.8 3.2-100.5 -24.6 8.8 22.2 24.5 114 115 A E >< + 0 0 56 -4,-2.2 3,-2.1 -5,-0.3 4,-0.2 -0.382 63.7 176.9-162.1 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71.4 55.0 -54.4 -41.7 1.3 -42.8 2.6 251 5 B A H > S+ 0 0 4 170,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.923 113.7 40.3 -59.7 -45.8 2.3 -39.1 2.0 252 6 B Q H > S+ 0 0 96 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.948 112.8 52.4 -68.0 -52.4 0.3 -37.8 4.9 253 7 B K H X S+ 0 0 64 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.840 111.0 51.3 -54.2 -34.3 1.1 -40.6 7.4 254 8 B L H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.959 112.1 43.6 -68.6 -50.8 4.8 -39.9 6.6 255 9 B R H < S+ 0 0 112 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.942 123.9 36.4 -59.2 -49.5 4.5 -36.2 7.3 256 10 B Y H >< S+ 0 0 187 -4,-3.3 3,-1.1 1,-0.2 4,-0.4 0.909 115.5 53.3 -71.3 -43.9 2.4 -36.7 10.4 257 11 B G H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.2 0.655 118.0 36.6 -67.9 -15.4 4.2 -39.8 11.6 258 12 B T T 3X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.247 85.2 104.5-118.5 8.5 7.6 -38.2 11.4 259 13 B Q H <> S+ 0 0 54 -3,-1.1 4,-2.2 1,-0.2 221,-0.2 0.923 83.4 47.1 -56.0 -48.3 6.5 -34.7 12.6 260 14 B Q H > S+ 0 0 142 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.876 112.0 50.6 -62.5 -39.8 8.0 -35.2 16.0 261 15 B S H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 107.9 53.7 -68.5 -32.6 11.3 -36.6 14.6 262 16 B H H X S+ 0 0 49 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.964 108.5 48.0 -66.2 -50.0 11.5 -33.6 12.2 263 17 B T H X S+ 0 0 15 -4,-2.2 4,-1.3 1,-0.3 -2,-0.2 0.932 112.3 50.2 -55.1 -45.8 11.3 -31.2 15.1 264 18 B L H < S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.854 107.0 55.5 -61.0 -33.8 13.9 -33.2 17.0 265 19 B A H >< S+ 0 0 16 -4,-1.9 3,-1.2 1,-0.2 6,-0.3 0.911 106.3 50.3 -65.9 -40.9 16.1 -33.1 13.9 266 20 B E H 3< S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.751 108.8 54.0 -67.5 -25.1 15.9 -29.3 13.8 267 21 B N T 3< S+ 0 0 18 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.237 73.8 123.1 -98.5 16.0 16.9 -29.1 17.5 268 22 B T S <> S- 0 0 22 -3,-1.2 4,-2.5 1,-0.1 5,-0.2 -0.485 77.4-113.4 -71.0 147.6 20.1 -31.2 17.4 269 23 B A H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.911 117.6 53.6 -47.8 -44.4 23.0 -29.1 18.7 270 24 B Y H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 110.2 42.7 -56.9 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32.5 -24.2 9.9 281 35 B R H > S+ 0 0 105 -2,-0.5 4,-3.1 1,-0.2 5,-0.3 0.878 99.1 51.0 -46.6 -52.6 34.3 -25.5 6.8 282 36 B E H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.963 115.1 37.5 -57.5 -60.3 35.8 -28.7 8.5 283 37 B P H > S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.864 118.2 55.3 -62.4 -28.5 32.6 -30.1 10.1 284 38 B F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 109.0 42.5 -69.3 -47.0 30.7 -29.0 7.0 285 39 B R H X S+ 0 0 66 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.780 113.9 54.0 -71.0 -23.5 32.8 -30.8 4.4 286 40 B Q H X S+ 0 0 44 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.775 107.5 50.5 -77.2 -26.6 32.9 -33.8 6.7 287 41 B L H X S+ 0 0 11 -4,-1.3 4,-2.3 -5,-0.2 3,-0.2 0.931 110.5 49.0 -72.5 -46.4 29.1 -33.7 6.7 288 42 B L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.832 108.0 54.9 -61.3 -33.3 29.1 -33.5 2.9 289 43 B A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.868 108.2 49.2 -68.6 -35.3 31.5 -36.5 2.8 290 44 B N H X S+ 0 0 4 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.927 109.9 50.1 -67.9 -44.4 29.1 -38.5 4.9 291 45 B L H X S+ 0 0 7 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.819 104.5 60.1 -63.4 -31.3 26.2 -37.6 2.7 292 46 B Y H X S+ 0 0 32 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.953 109.3 42.0 -61.5 -47.0 28.3 -38.7 -0.3 293 47 B Y H X S+ 0 0 64 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.887 116.0 51.1 -66.0 -38.3 28.5 -42.2 1.2 294 48 B L H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.962 115.0 39.3 -64.2 -54.4 24.9 -42.1 2.1 295 49 B Y H X S+ 0 0 0 -4,-3.3 4,-3.2 2,-0.2 5,-0.4 0.844 110.8 59.3 -66.7 -34.7 23.5 -41.0 -1.3 296 50 B S H X S+ 0 0 29 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.969 112.7 39.5 -55.8 -54.7 26.0 -43.3 -3.2 297 51 B A H X S+ 0 0 15 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.847 117.2 50.1 -63.6 -38.8 24.6 -46.3 -1.5 298 52 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.985 116.2 40.0 -64.9 -56.9 21.0 -45.1 -1.6 299 53 B E H X S+ 0 0 2 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.829 115.0 51.8 -61.7 -36.7 21.1 -44.3 -5.4 300 54 B A H X S+ 0 0 47 -4,-2.5 4,-2.4 -5,-0.4 -1,-0.2 0.919 112.2 47.5 -66.8 -42.1 23.1 -47.4 -6.3 301 55 B A H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.914 109.5 52.7 -64.6 -44.2 20.5 -49.5 -4.3 302 56 B L H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.921 112.9 44.6 -58.0 -45.3 17.6 -47.7 -6.0 303 57 B R H >< S+ 0 0 98 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.910 111.4 52.2 -67.3 -43.2 19.0 -48.4 -9.5 304 58 B Q H 3< S+ 0 0 140 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.850 112.0 47.3 -61.7 -34.5 19.9 -52.0 -8.7 305 59 B H T >< + 0 0 43 -4,-2.1 3,-1.7 1,-0.2 6,-0.3 0.044 69.7 115.2-100.0 28.5 16.4 -52.8 -7.5 306 60 B R T < + 0 0 121 -3,-1.3 6,-0.2 1,-0.3 -1,-0.2 0.643 60.1 81.2 -70.0 -11.8 14.4 -51.3 -10.3 307 61 B D T 3 S+ 0 0 141 -3,-0.4 2,-0.7 -4,-0.1 -1,-0.3 0.624 79.7 81.5 -66.0 -10.7 13.2 -54.8 -11.1 308 62 B N S X> S- 0 0 44 -3,-1.7 4,-2.6 1,-0.1 3,-0.6 -0.882 79.5-149.7 -98.6 111.3 10.8 -53.9 -8.2 309 63 B E H 3> S+ 0 0 144 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.743 94.8 57.1 -53.9 -28.1 8.0 -51.8 -9.6 310 64 B I H 3> S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 111.9 40.8 -70.3 -43.6 7.6 -49.9 -6.3 311 65 B I H <> S+ 0 0 0 -3,-0.6 4,-1.6 -6,-0.3 -2,-0.2 0.908 112.2 55.7 -68.9 -42.5 11.2 -48.8 -6.4 312 66 B S H < S+ 0 0 61 -4,-2.6 3,-0.3 -7,-0.3 -1,-0.2 0.909 109.0 49.4 -55.2 -42.6 11.1 -48.1 -10.1 313 67 B A H < S+ 0 0 42 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.904 113.0 43.6 -65.2 -44.7 8.1 -45.8 -9.4 314 68 B I H < S+ 0 0 2 -4,-1.8 2,-0.6 -5,-0.1 -1,-0.2 0.602 90.5 103.4 -79.7 -10.7 9.7 -43.8 -6.6 315 69 B Y < + 0 0 23 -4,-1.6 3,-0.1 -3,-0.3 51,-0.0 -0.651 41.5 173.1 -80.5 115.2 13.0 -43.5 -8.4 316 70 B F > - 0 0 42 -2,-0.6 3,-2.7 1,-0.1 4,-0.5 -0.878 16.3-163.3-120.3 93.1 13.5 -39.9 -9.9 317 71 B P G > S+ 0 0 79 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.722 83.7 73.0 -51.9 -20.9 17.0 -39.7 -11.3 318 72 B E G 3 S+ 0 0 78 1,-0.2 88,-0.3 -3,-0.1 87,-0.2 0.727 94.1 54.2 -67.1 -18.8 16.7 -35.9 -11.4 319 73 B L G < S+ 0 0 3 -3,-2.7 -1,-0.2 85,-0.1 -4,-0.0 0.642 77.0 131.6 -88.2 -17.5 17.0 -35.9 -7.6 320 74 B N < - 0 0 34 -3,-0.9 4,-0.2 -4,-0.5 -24,-0.1 -0.042 32.9-176.4 -39.5 130.0 20.3 -37.9 -7.5 321 75 B R > + 0 0 4 2,-0.1 4,-3.0 -26,-0.1 5,-0.3 0.571 59.0 89.9-108.3 -17.3 22.8 -36.1 -5.3 322 76 B T H > S+ 0 0 21 1,-0.2 4,-1.9 -27,-0.2 5,-0.1 0.912 92.2 42.7 -49.6 -53.6 25.9 -38.4 -5.7 323 77 B D H > S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 114.8 50.3 -61.8 -45.3 27.3 -36.4 -8.7 324 78 B K H > S+ 0 0 19 -4,-0.2 4,-2.3 1,-0.2 77,-0.3 0.919 109.6 50.8 -59.6 -43.5 26.6 -33.0 -7.1 325 79 B L H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.882 105.6 56.3 -62.7 -36.3 28.3 -34.1 -3.8 326 80 B A H X S+ 0 0 21 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.883 107.3 50.9 -61.3 -36.8 31.3 -35.2 -5.8 327 81 B E H X S+ 0 0 107 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.937 112.3 44.3 -64.5 -49.5 31.4 -31.6 -7.2 328 82 B D H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.926 112.4 52.3 -61.9 -45.0 31.2 -30.1 -3.7 329 83 B L H X>S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 5,-0.6 0.851 106.2 53.8 -61.9 -35.2 33.8 -32.5 -2.4 330 84 B T H X5S+ 0 0 63 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.898 111.3 47.6 -64.5 -38.5 36.2 -31.6 -5.2 331 85 B Y H 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A G > + 0 0 4 1,-0.3 3,-2.5 -76,-0.2 -75,-0.2 0.865 68.4 72.5 -59.8 -35.0 25.9 -28.2 -5.5 401 155 B M G 3 S+ 0 0 0 -77,-0.3 -1,-0.3 1,-0.3 -76,-0.1 0.841 101.8 41.3 -47.2 -38.9 24.4 -30.6 -2.9 402 156 B Y G < S+ 0 0 9 -3,-1.2 2,-0.6 -78,-0.1 -1,-0.3 0.276 94.2 100.2 -97.9 11.9 21.3 -28.3 -2.8 403 157 B E < - 0 0 53 -3,-2.5 2,-0.7 -4,-0.1 -79,-0.1 -0.877 49.8-169.3-104.8 120.6 21.1 -27.5 -6.5 404 158 B F > - 0 0 10 -2,-0.6 3,-1.8 3,-0.3 -85,-0.1 -0.903 11.1-155.5-110.0 104.6 18.6 -29.5 -8.6 405 159 B D T 3 S+ 0 0 125 -2,-0.7 -1,-0.1 1,-0.3 -86,-0.1 0.759 93.7 45.8 -48.6 -34.0 19.1 -28.9 -12.3 406 160 B S T 3 S+ 0 0 53 -88,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.607 113.9 49.1 -88.5 -11.7 15.5 -29.7 -13.2 407 161 B L < + 0 0 11 -3,-1.8 -3,-0.3 -89,-0.1 -1,-0.2 -0.520 61.1 153.3-126.0 65.1 14.0 -27.6 -10.4 408 162 B P + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 59.7 58.6 -63.7 -29.2 15.7 -24.1 -10.6 409 163 B T S > S- 0 0 63 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.666 84.3-119.5-107.1 159.7 12.8 -22.2 -9.1 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B E H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.835 107.7 56.5 -64.7 -30.7 11.7 -46.7 8.9 441 195 B A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.892 105.6 48.6 -67.8 -41.8 11.3 -42.9 8.2 442 196 B N H X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 112.6 49.9 -65.1 -39.0 11.5 -42.1 11.9 443 197 B Y H X S+ 0 0 95 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.900 106.0 55.1 -64.7 -40.3 14.6 -44.3 12.1 444 198 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.902 108.7 49.2 -58.6 -41.1 16.2 -42.5 9.1 445 199 B F H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.947 110.7 49.5 -62.3 -49.2 15.7 -39.2 11.0 446 200 B S H X S+ 0 0 39 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 111.6 49.0 -55.5 -46.1 17.3 -40.7 14.1 447 201 B L H X S+ 0 0 7 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.880 110.3 50.7 -61.9 -38.4 20.2 -42.0 11.9 448 202 B N H X S+ 0 0 17 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.837 107.1 55.8 -67.9 -31.8 20.5 -38.5 10.4 449 203 B R H X S+ 0 0 48 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.935 107.7 47.7 -65.1 -45.1 20.5 -37.1 13.9 450 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