==== 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 24-JUL-07 2QPP . COMPND 2 MOLECULE: HEME OXYGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.BIANCHETTI,C.A.BINGMAN,E.BITTO,G.E.WESENBERG,G.N.PHILLIP . 433 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 76.9 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 . 0 0.0 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.0 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 1 5 0 0 0 2 1 1 0 2 0 0 0 0 0 0 0 2 0 0 2 0 1 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 29 A R > 0 0 218 0, 0.0 3,-0.7 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -2.7 7.0 18.8 25.3 2 30 A M T 3 + 0 0 123 1,-0.2 6,-0.0 5,-0.1 0, 0.0 0.488 360.0 67.6 -83.3 -5.0 10.6 18.0 26.4 3 31 A A T 3 S+ 0 0 51 4,-0.1 2,-0.3 5,-0.0 -1,-0.2 0.516 77.4 109.9 -85.4 -9.6 10.1 14.5 24.9 4 32 A D S X> S- 0 0 60 -3,-0.7 4,-2.3 1,-0.1 3,-1.2 -0.521 77.0-129.2 -70.1 131.6 9.8 16.2 21.5 5 33 A L H 3> S+ 0 0 0 1,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.830 106.5 58.1 -50.4 -41.6 12.9 15.4 19.3 6 34 A S H 3> S+ 0 0 13 169,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.827 110.0 43.5 -61.1 -36.7 13.4 19.1 18.5 7 35 A E H <> S+ 0 0 61 -3,-1.2 4,-3.0 -6,-0.3 5,-0.4 0.920 112.2 53.3 -70.9 -46.7 13.8 19.9 22.2 8 36 A L H X S+ 0 0 31 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.846 111.6 46.6 -56.3 -38.1 16.0 16.8 22.8 9 37 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.874 113.8 46.6 -72.8 -39.4 18.3 17.9 19.9 10 38 A K H < S+ 0 0 140 -4,-1.4 -2,-0.2 -5,-0.2 4,-0.1 0.930 121.0 36.4 -71.3 -46.7 18.5 21.6 21.1 11 39 A E H >< S+ 0 0 100 -4,-3.0 3,-1.2 1,-0.2 4,-0.3 0.933 118.2 53.8 -67.3 -45.4 19.2 20.7 24.8 12 40 A G H 3< S+ 0 0 33 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.681 114.8 37.8 -63.9 -24.1 21.3 17.7 23.8 13 41 A T T 3X S+ 0 0 3 -4,-1.3 4,-2.3 1,-0.1 -1,-0.2 0.181 82.3 109.0-114.3 15.9 23.6 19.6 21.5 14 42 A K H <> S+ 0 0 120 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.929 80.9 46.6 -56.8 -53.4 23.9 22.8 23.5 15 43 A E H > S+ 0 0 99 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.887 112.7 50.9 -57.2 -43.3 27.6 22.2 24.6 16 44 A A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 109.5 50.3 -62.0 -39.7 28.5 21.3 21.0 17 45 A H H X S+ 0 0 84 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.904 108.2 52.2 -68.2 -41.0 26.9 24.5 19.7 18 46 A D H X S+ 0 0 70 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.930 110.4 49.6 -55.9 -47.3 28.8 26.6 22.2 19 47 A R H < S+ 0 0 26 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.910 111.6 47.9 -57.9 -46.6 32.0 24.9 21.1 20 48 A A H >< S+ 0 0 17 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.876 109.2 54.0 -62.3 -41.3 31.2 25.6 17.4 21 49 A E H 3< S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.6 39.2 -59.5 -33.7 30.3 29.3 18.2 22 50 A N T 3< S+ 0 0 84 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.256 82.5 123.2-109.9 10.9 33.7 29.9 19.8 23 51 A T <> - 0 0 2 -3,-0.8 4,-2.2 -4,-0.4 5,-0.2 -0.434 69.8-115.5 -76.4 150.2 36.1 27.9 17.6 24 52 A Q H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.861 110.7 49.3 -58.0 -43.9 39.0 29.9 16.1 25 53 A F H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 111.9 48.4 -62.6 -44.7 38.1 29.5 12.4 26 54 A V H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 113.3 47.5 -62.7 -43.7 34.5 30.6 13.0 27 55 A K H X S+ 0 0 96 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.866 113.0 48.8 -63.4 -39.4 35.6 33.7 15.0 28 56 A D H X>S+ 0 0 30 -4,-2.3 5,-2.6 -5,-0.2 4,-0.6 0.841 110.3 52.0 -71.8 -33.9 38.1 34.6 12.4 29 57 A F H ><5S+ 0 0 19 -4,-2.3 3,-1.7 4,-0.2 5,-0.3 0.970 109.0 48.7 -61.6 -54.6 35.5 34.2 9.6 30 58 A L H 3<5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.815 107.8 54.8 -59.8 -34.5 33.0 36.5 11.4 31 59 A K H 3<5S- 0 0 135 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.648 118.3-112.6 -71.0 -17.0 35.7 39.2 12.0 32 60 A G T <<5S+ 0 0 31 -3,-1.7 -3,-0.2 -4,-0.6 -2,-0.1 0.663 80.3 126.7 91.6 21.2 36.5 39.2 8.2 33 61 A N < + 0 0 98 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.547 38.8 101.4 -88.7 -9.1 39.9 37.7 8.6 34 62 A I - 0 0 16 -6,-0.5 2,-0.1 -5,-0.3 -9,-0.0 -0.661 62.7-146.5 -84.0 128.8 39.5 34.8 6.2 35 63 A K > - 0 0 169 -2,-0.4 4,-2.0 112,-0.0 3,-0.3 -0.316 27.1 -90.1 -94.2 174.7 41.1 35.3 2.7 36 64 A K H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.862 119.9 44.3 -53.8 -52.5 40.1 34.3 -0.8 37 65 A E H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.841 113.8 50.2 -66.7 -35.4 42.0 30.9 -1.1 38 66 A L H > S+ 0 0 26 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.810 109.7 51.6 -72.9 -30.1 40.9 29.8 2.4 39 67 A F H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.850 106.6 54.6 -69.4 -36.4 37.3 30.6 1.5 40 68 A K H X S+ 0 0 24 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.841 109.6 47.3 -64.3 -36.0 37.8 28.5 -1.6 41 69 A L H X S+ 0 0 65 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.900 111.0 51.3 -66.9 -46.0 38.9 25.6 0.6 42 70 A A H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.946 111.0 47.3 -55.5 -52.2 35.9 26.2 2.9 43 71 A T H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.865 108.2 57.0 -57.8 -39.9 33.4 26.2 -0.0 44 72 A T H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.910 106.4 48.9 -57.5 -45.0 35.1 23.0 -1.3 45 73 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.918 111.9 49.4 -61.7 -45.7 34.4 21.2 2.0 46 74 A L H X S+ 0 0 25 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.931 107.2 55.6 -56.9 -48.2 30.8 22.4 1.8 47 75 A Y H X S+ 0 0 26 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.913 113.0 39.2 -54.0 -51.6 30.4 21.1 -1.7 48 76 A F H X S+ 0 0 61 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.896 115.7 52.4 -68.5 -41.3 31.5 17.6 -1.0 49 77 A T H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.952 114.2 41.5 -57.9 -53.3 29.7 17.4 2.4 50 78 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 28,-0.2 0.785 110.1 57.8 -69.9 -29.3 26.3 18.5 0.9 51 79 A S H X S+ 0 0 14 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.972 111.9 42.5 -59.5 -53.0 26.8 16.3 -2.2 52 80 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 116.3 48.3 -57.1 -48.1 27.1 13.3 0.1 53 81 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.919 113.7 45.5 -62.5 -44.9 24.2 14.5 2.3 54 82 A E H X S+ 0 0 12 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.718 110.5 54.6 -75.8 -20.4 21.8 15.3 -0.6 55 83 A E H X S+ 0 0 103 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.888 111.0 45.1 -72.8 -42.4 22.7 11.9 -2.2 56 84 A E H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.788 113.1 49.8 -73.4 -30.0 21.8 10.1 0.9 57 85 A M H < S+ 0 0 6 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.816 110.4 51.1 -75.0 -32.3 18.6 12.1 1.4 58 86 A E H >< S+ 0 0 98 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.858 111.7 48.8 -67.3 -37.1 17.7 11.4 -2.2 59 87 A R H 3< S+ 0 0 119 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.872 118.9 36.9 -70.0 -39.9 18.3 7.7 -1.5 60 88 A N T >< S+ 0 0 16 -4,-1.7 3,-2.1 1,-0.2 7,-0.2 0.211 78.6 120.0 -99.3 14.1 16.2 7.6 1.6 61 89 A K T < S+ 0 0 80 -3,-0.5 9,-0.2 1,-0.3 -1,-0.2 0.730 82.4 40.6 -53.0 -26.6 13.5 10.0 0.3 62 90 A D T 3 S+ 0 0 134 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.446 85.4 118.7-101.9 -3.9 10.8 7.3 0.8 63 91 A H X> - 0 0 67 -3,-2.1 4,-3.8 1,-0.1 3,-2.4 -0.493 66.0-134.4 -69.6 127.1 12.1 5.9 4.1 64 92 A P T 34 S+ 0 0 112 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.714 103.8 55.1 -54.1 -25.9 9.4 6.3 6.9 65 93 A A T 34 S+ 0 0 15 1,-0.1 57,-0.2 116,-0.1 116,-0.1 0.423 127.1 16.6 -90.7 0.6 12.0 7.7 9.4 66 94 A F T X4 S+ 0 0 0 -3,-2.4 3,-3.0 -6,-0.2 4,-0.2 0.562 92.5 99.9-136.2 -30.5 13.1 10.4 7.1 67 95 A A G >< S+ 0 0 34 -4,-3.8 3,-2.1 1,-0.3 -2,-0.1 0.731 80.0 56.1 -38.2 -51.1 10.6 11.0 4.3 68 96 A P G 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.697 103.3 58.7 -58.8 -17.2 8.8 14.1 5.7 69 97 A L G < S+ 0 0 2 -3,-3.0 2,-0.7 108,-0.1 -2,-0.2 0.348 74.5 117.4 -96.3 5.8 12.2 15.9 5.9 70 98 A Y < + 0 0 50 -3,-2.1 -12,-0.0 -4,-0.2 -3,-0.0 -0.650 28.7 158.5 -78.9 110.6 12.9 15.6 2.2 71 99 A F >> + 0 0 18 -2,-0.7 4,-2.6 1,-0.1 5,-1.1 -0.508 5.4 157.2-133.4 66.1 13.1 19.1 0.8 72 100 A P T 45S+ 0 0 56 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.889 80.8 42.7 -57.7 -40.7 15.0 19.1 -2.5 73 101 A M T 45S+ 0 0 116 1,-0.1 90,-0.2 2,-0.1 -2,-0.1 0.895 122.8 35.2 -75.1 -41.3 13.5 22.3 -3.8 74 102 A E T 45S+ 0 0 47 88,-0.1 89,-0.4 1,-0.1 -1,-0.1 0.880 131.4 17.1 -81.1 -41.8 13.6 24.3 -0.5 75 103 A L T <5S+ 0 0 5 -4,-2.6 -2,-0.1 88,-0.1 -1,-0.1 0.812 80.9 117.1-108.6 -36.3 16.8 23.2 1.2 76 104 A H < - 0 0 38 -5,-1.1 4,-0.2 -4,-0.3 3,-0.1 -0.052 34.6-174.0 -52.2 132.8 19.3 21.4 -1.2 77 105 A R > + 0 0 16 -27,-0.1 4,-3.0 1,-0.1 5,-0.3 0.592 57.5 95.3-103.6 -13.9 22.6 23.3 -1.6 78 106 A K H > S+ 0 0 89 1,-0.2 4,-2.1 -28,-0.2 -1,-0.1 0.830 88.7 46.1 -51.8 -42.4 24.4 21.3 -4.2 79 107 A E H > S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 115.1 46.6 -68.2 -43.1 23.3 23.5 -7.1 80 108 A A H > S+ 0 0 11 -4,-0.2 4,-1.7 -3,-0.2 78,-0.3 0.908 113.1 49.8 -62.3 -45.0 24.1 26.7 -5.3 81 109 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.865 106.4 55.8 -62.8 -39.4 27.5 25.3 -4.2 82 110 A T H X S+ 0 0 32 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.909 107.5 48.8 -59.7 -43.9 28.3 24.3 -7.8 83 111 A K H X S+ 0 0 74 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.860 111.5 49.4 -66.1 -36.3 27.7 27.9 -9.0 84 112 A D H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.896 109.9 51.0 -68.2 -41.5 30.0 29.2 -6.2 85 113 A M H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.6 0.895 110.8 49.7 -61.3 -41.8 32.6 26.7 -7.2 86 114 A E H X5S+ 0 0 70 -4,-2.3 4,-1.3 3,-0.2 -2,-0.2 0.876 108.6 53.1 -62.4 -41.4 32.4 27.9 -10.8 87 115 A Y H <5S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 118.4 33.1 -64.6 -41.1 32.7 31.5 -9.8 88 116 A F H <5S+ 0 0 22 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.855 132.9 25.1 -85.3 -38.6 35.9 31.1 -7.8 89 117 A F H <5S- 0 0 34 -4,-2.4 3,-0.2 1,-0.3 2,-0.2 0.760 101.7-125.0-100.1 -30.4 37.7 28.3 -9.7 90 118 A G ><< - 0 0 28 -4,-1.3 3,-0.7 -5,-0.6 -1,-0.3 -0.616 47.7 -45.8 108.5-173.2 36.3 28.6 -13.3 91 119 A E T 3 S+ 0 0 155 1,-0.3 2,-0.4 -2,-0.2 3,-0.3 0.831 133.6 50.9 -67.7 -35.6 34.6 26.0 -15.6 92 120 A N T 3 S+ 0 0 88 -3,-0.2 4,-0.3 1,-0.2 -1,-0.3 -0.321 70.5 131.4 -96.6 49.6 37.1 23.2 -15.0 93 121 A W X + 0 0 7 -3,-0.7 3,-0.5 -2,-0.4 4,-0.4 0.752 59.3 67.1 -75.2 -26.4 36.8 23.5 -11.2 94 122 A E G > S+ 0 0 132 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.920 103.0 44.2 -60.6 -46.9 36.3 19.7 -10.7 95 123 A E G 3 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.546 110.7 57.6 -76.7 -7.1 39.8 18.8 -11.8 96 124 A Q G < S+ 0 0 100 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.2 0.498 102.1 71.8 -91.9 -5.9 41.2 21.7 -9.7 97 125 A V < + 0 0 25 -3,-1.1 2,-0.3 -4,-0.4 -56,-0.0 -0.851 47.7 177.2-129.5 143.0 39.7 20.4 -6.5 98 126 A Q - 0 0 163 -2,-0.3 -54,-0.1 -3,-0.0 -53,-0.0 -0.996 38.9-102.8-141.0 144.1 40.0 17.7 -3.9 99 127 A A - 0 0 19 -2,-0.3 -54,-0.1 1,-0.1 5,-0.1 -0.435 40.4-116.1 -63.7 129.2 38.2 17.0 -0.6 100 128 A P >> - 0 0 16 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.329 30.4-107.2 -60.8 150.6 40.1 18.0 2.6 101 129 A K H 3> S+ 0 0 159 1,-0.3 4,-1.4 2,-0.2 104,-0.1 0.855 119.7 47.8 -51.6 -44.0 41.0 15.1 4.9 102 130 A A H 3> S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.775 109.0 54.4 -70.9 -28.2 38.4 16.1 7.5 103 131 A A H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.849 102.6 57.4 -70.9 -37.2 35.7 16.5 4.9 104 132 A Q H X S+ 0 0 92 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.910 105.3 51.1 -57.3 -45.2 36.3 13.0 3.6 105 133 A K H X S+ 0 0 96 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.926 110.9 47.9 -58.1 -48.2 35.6 11.7 7.1 106 134 A Y H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.936 113.7 47.5 -56.9 -50.4 32.3 13.6 7.2 107 135 A V H X S+ 0 0 27 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.910 110.4 51.9 -58.1 -45.8 31.4 12.3 3.8 108 136 A E H X S+ 0 0 117 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.862 111.5 47.3 -60.9 -37.6 32.3 8.7 4.7 109 137 A R H X S+ 0 0 47 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.891 109.0 53.4 -71.8 -40.4 30.1 9.0 7.8 110 138 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.921 111.0 46.9 -59.0 -46.2 27.2 10.5 5.8 111 139 A H H X S+ 0 0 46 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.915 111.6 51.0 -62.9 -43.8 27.3 7.6 3.4 112 140 A Y H X>S+ 0 0 96 -4,-1.9 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2,-0.2 -2,-0.2 0.846 107.8 52.5 -72.9 -36.7 59.1 10.0 17.3 233 47 B R H < S+ 0 0 109 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.809 105.6 56.8 -66.2 -31.3 57.9 13.2 15.5 234 48 B A H >< S+ 0 0 17 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.857 106.5 48.6 -67.5 -37.8 57.2 14.6 19.0 235 49 B E H 3< S+ 0 0 106 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.797 108.9 55.4 -67.3 -31.5 60.8 14.0 20.0 236 50 B N T 3< S+ 0 0 108 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.402 79.7 117.3 -87.6 1.3 62.0 15.7 16.8 237 51 B T S <> S- 0 0 17 -3,-0.7 4,-2.1 -4,-0.3 3,-0.5 -0.454 71.4-125.9 -70.7 143.2 60.1 19.0 17.3 238 52 B Q H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 108.8 55.0 -57.3 -41.8 62.3 22.1 17.6 239 53 B F H > S+ 0 0 14 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.850 109.7 46.9 -61.2 -37.8 60.7 23.1 21.0 240 54 B V H > S+ 0 0 25 -3,-0.5 4,-2.7 -6,-0.2 5,-0.2 0.885 111.6 49.9 -72.4 -41.7 61.5 19.7 22.5 241 55 B K H X S+ 0 0 90 -4,-2.1 4,-1.8 1,-0.2 6,-0.2 0.883 112.6 47.5 -63.2 -41.1 65.1 19.7 21.3 242 56 B D H <>S+ 0 0 60 -4,-2.3 5,-2.1 -5,-0.2 -1,-0.2 0.776 113.3 50.3 -69.7 -29.2 65.6 23.2 22.7 243 57 B F H ><5S+ 0 0 11 -4,-1.1 3,-1.7 -5,-0.2 -2,-0.2 0.966 110.8 45.5 -71.9 -56.6 64.0 22.1 25.9 244 58 B L H 3<5S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.868 111.9 52.2 -55.1 -43.0 66.1 18.9 26.5 245 59 B K T 3<5S- 0 0 169 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.484 119.2-114.6 -76.5 -2.8 69.3 20.8 25.6 246 60 B G T < 5S+ 0 0 15 -3,-1.7 2,-0.9 1,-0.1 -3,-0.2 0.553 76.7 126.9 86.4 10.7 68.3 23.4 28.2 247 61 B N < + 0 0 125 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.1 -0.585 31.5 124.6-102.1 70.4 67.8 26.4 25.9 248 62 B I - 0 0 12 -2,-0.9 2,-0.3 -5,-0.2 -9,-0.0 -0.993 49.3-137.1-127.6 136.3 64.3 27.5 26.9 249 63 B K >> - 0 0 128 -2,-0.4 4,-1.9 1,-0.1 3,-1.6 -0.679 21.6-110.6-103.0 150.5 63.4 31.1 28.0 250 64 B K H 3> S+ 0 0 122 1,-0.3 4,-1.8 -2,-0.3 3,-0.3 0.812 113.5 46.8 -41.2 -58.2 61.1 32.2 30.9 251 65 B E H 3> S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.733 113.3 50.3 -64.7 -24.3 58.3 33.7 28.9 252 66 B L H <> S+ 0 0 15 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.824 108.0 52.0 -80.9 -34.4 58.2 30.7 26.5 253 67 B F H X S+ 0 0 2 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.828 106.6 56.5 -65.2 -33.0 58.1 28.3 29.5 254 68 B K H X S+ 0 0 24 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.856 105.5 49.0 -67.7 -38.1 55.1 30.3 30.8 255 69 B L H X S+ 0 0 74 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.879 112.3 49.0 -67.7 -39.4 53.1 29.8 27.6 256 70 B A H X S+ 0 0 13 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.911 110.2 49.9 -65.8 -44.7 53.8 26.1 27.7 257 71 B T H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 111.3 50.6 -59.9 -40.9 52.7 25.9 31.4 258 72 B T H X S+ 0 0 7 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.895 108.1 52.1 -61.5 -43.1 49.6 27.8 30.4 259 73 B A H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.921 111.1 48.5 -59.8 -43.1 49.0 25.3 27.6 260 74 B L H X S+ 0 0 25 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.900 106.5 56.4 -63.5 -43.6 49.3 22.5 30.1 261 75 B Y H X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.915 112.4 39.1 -56.8 -50.6 46.9 24.1 32.6 262 76 B F H X S+ 0 0 48 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.852 115.7 53.8 -71.0 -36.0 44.0 24.3 30.2 263 77 B T H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.959 115.2 38.4 -58.0 -55.2 44.7 21.0 28.6 264 78 B Y H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 28,-0.2 0.781 109.7 61.0 -73.1 -28.9 44.7 19.1 32.0 265 79 B S H X S+ 0 0 22 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.937 111.1 40.4 -61.5 -46.6 41.8 21.1 33.4 266 80 B A H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 115.1 51.5 -66.0 -46.8 39.6 19.8 30.6 267 81 B L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.918 113.1 44.6 -59.5 -45.2 41.0 16.3 30.7 268 82 B E H X S+ 0 0 12 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.755 110.5 54.6 -73.6 -26.1 40.5 16.0 34.4 269 83 B E H X S+ 0 0 98 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.898 111.1 45.8 -68.4 -41.5 37.0 17.5 34.2 270 84 B E H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.815 111.7 50.4 -72.6 -32.7 36.0 14.9 31.6 271 85 B M H < S+ 0 0 4 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.853 109.0 52.5 -70.6 -37.4 37.6 12.0 33.7 272 86 B E H >< S+ 0 0 90 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.895 107.5 53.1 -60.6 -41.0 35.6 13.2 36.7 273 87 B R H 3< S+ 0 0 120 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.873 117.4 36.4 -60.5 -39.8 32.5 13.1 34.5 274 88 B N T >< S+ 0 0 13 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.069 77.0 118.2-106.8 22.2 33.2 9.5 33.5 275 89 B K T < S+ 0 0 82 -3,-1.1 -1,-0.2 1,-0.3 9,-0.2 0.754 87.1 38.0 -59.8 -25.4 34.6 8.2 36.8 276 90 B D T 3 S+ 0 0 135 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.335 88.2 115.2-108.1 3.8 31.7 5.7 37.1 277 91 B H X> - 0 0 66 -3,-1.3 4,-4.1 1,-0.1 3,-2.4 -0.622 67.3-136.5 -76.3 128.3 31.5 4.9 33.4 278 92 B P T 34 S+ 0 0 110 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 0.736 104.7 55.8 -59.9 -21.4 32.4 1.2 32.8 279 93 B A T 34 S+ 0 0 16 116,-0.1 57,-0.2 1,-0.1 116,-0.1 0.470 126.6 17.4 -89.0 -3.6 34.6 2.2 29.8 280 94 B F T X4 S+ 0 0 0 -3,-2.4 3,-3.1 -6,-0.2 4,-0.3 0.578 94.3 96.4-133.0 -27.9 36.6 4.6 31.9 281 95 B A G >< S+ 0 0 36 -4,-4.1 3,-1.6 1,-0.3 -2,-0.1 0.763 82.5 56.8 -37.3 -48.3 36.2 3.8 35.7 282 96 B P G 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.602 105.4 52.3 -67.4 -7.8 39.3 1.6 36.0 283 97 B L G < S+ 0 0 2 -3,-3.1 2,-0.8 108,-0.1 -2,-0.2 0.325 78.4 114.5-108.5 5.7 41.6 4.5 34.8 284 98 B Y < + 0 0 54 -3,-1.6 -4,-0.0 -4,-0.3 -3,-0.0 -0.707 28.5 156.4 -80.9 108.1 40.3 7.1 37.2 285 99 B F >> + 0 0 23 -2,-0.8 4,-2.5 1,-0.1 5,-0.7 -0.592 1.2 160.8-131.4 70.7 43.2 8.0 39.5 286 100 B P H >5S+ 0 0 26 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.931 77.2 43.4 -60.1 -47.9 42.5 11.5 40.9 287 101 B M H 45S+ 0 0 135 1,-0.2 -2,-0.0 2,-0.1 90,-0.0 0.774 122.1 38.0 -71.0 -27.1 44.8 11.3 43.9 288 102 B E H 45S+ 0 0 67 -3,-0.1 89,-0.4 88,-0.1 -1,-0.2 0.844 129.7 18.2 -91.9 -37.8 47.7 9.7 42.0 289 103 B L H <5S+ 0 0 4 -4,-2.5 -2,-0.1 88,-0.1 89,-0.0 0.707 81.4 118.8-112.9 -27.8 47.7 11.4 38.6 290 104 B H << - 0 0 45 -4,-1.2 4,-0.2 -5,-0.7 -26,-0.0 -0.175 32.8-175.7 -60.6 135.8 45.7 14.6 38.5 291 105 B R > + 0 0 14 -27,-0.1 4,-2.9 2,-0.1 5,-0.3 0.561 58.2 92.4-107.7 -12.1 47.8 17.7 37.6 292 106 B K H > S+ 0 0 84 1,-0.2 4,-2.7 -28,-0.2 5,-0.2 0.907 88.4 48.3 -52.7 -51.8 45.3 20.6 37.9 293 107 B E H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 115.1 46.0 -54.5 -48.4 46.2 21.4 41.6 294 108 B A H > S+ 0 0 10 -4,-0.2 4,-1.7 1,-0.2 78,-0.3 0.905 113.1 48.8 -62.5 -44.6 49.9 21.4 40.7 295 109 B L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.848 106.6 56.1 -67.5 -35.8 49.5 23.5 37.6 296 110 B T H X S+ 0 0 38 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.898 108.1 49.5 -58.1 -42.5 47.3 26.0 39.5 297 111 B K H X S+ 0 0 73 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.857 110.4 50.1 -63.8 -37.8 50.3 26.3 41.9 298 112 B D H X S+ 0 0 2 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.825 108.5 52.4 -69.9 -33.1 52.6 26.8 39.0 299 113 B M H X>S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.6 0.796 106.3 53.5 -73.7 -31.4 50.4 29.5 37.5 300 114 B E H X5S+ 0 0 102 -4,-1.6 4,-1.0 3,-0.2 -2,-0.2 0.895 109.6 49.7 -63.9 -42.3 50.4 31.4 40.9 301 115 B Y H <5S+ 0 0 106 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.843 121.3 30.4 -68.3 -38.1 54.2 31.4 40.8 302 116 B F H <5S+ 0 0 19 -4,-1.5 -2,-0.2 2,-0.1 -3,-0.2 0.864 131.1 27.0 -91.8 -39.8 54.7 32.7 37.3 303 117 B F H <5S- 0 0 59 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.639 101.7-122.9-105.1 -19.9 51.6 35.0 36.6 304 118 B G << - 0 0 30 -4,-1.0 3,-0.4 -5,-0.6 -1,-0.3 -0.778 43.7 -44.7 115.1-155.6 50.6 36.2 40.0 305 119 B E S S+ 0 0 185 -2,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.906 129.0 39.8 -86.4 -46.7 47.5 36.2 42.2 306 120 B N S >> S+ 0 0 114 1,-0.2 3,-0.6 -3,-0.2 4,-0.6 -0.186 73.4 129.6 -99.6 41.5 44.7 37.1 39.7 307 121 B W H >> + 0 0 14 -3,-0.4 4,-2.9 1,-0.2 3,-1.0 0.827 63.8 61.9 -66.0 -35.6 46.0 35.1 36.7 308 122 B E H 34 S+ 0 0 144 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.797 101.2 54.6 -63.5 -30.8 42.7 33.3 35.9 309 123 B E H <4 S+ 0 0 167 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.742 121.3 27.8 -71.2 -25.6 41.0 36.6 35.2 310 124 B Q H << S+ 0 0 136 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.717 96.6 87.6-115.2 -28.9 43.7 37.6 32.7 311 125 B V < - 0 0 26 -4,-2.9 2,-0.3 -53,-0.0 -8,-0.0 -0.582 54.4-158.4 -83.3 138.2 45.3 34.6 31.0 312 126 B Q - 0 0 171 -2,-0.3 -50,-0.1 -3,-0.0 -2,-0.0 -0.796 27.2-104.1-106.4 155.6 43.8 33.0 27.8 313 127 B A - 0 0 17 -2,-0.3 -54,-0.1 1,-0.1 5,-0.1 -0.654 44.1-112.4 -72.1 126.8 44.3 29.5 26.5 314 128 B P > - 0 0 23 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.311 31.5-106.4 -59.7 151.1 46.6 29.6 23.5 315 129 B K H > S+ 0 0 108 1,-0.3 4,-1.7 2,-0.2 -291,-0.1 0.824 116.8 46.5 -52.7 -46.5 44.9 28.7 20.2 316 130 B A H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.872 113.5 49.6 -67.9 -37.3 46.4 25.2 19.7 317 131 B A H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.870 107.0 56.5 -66.2 -36.6 45.7 24.3 23.3 318 132 B Q H X S+ 0 0 68 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.865 105.7 50.5 -64.5 -38.0 42.1 25.5 22.8 319 133 B K H X S+ 0 0 7 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.947 111.3 47.8 -61.6 -50.1 41.6 23.2 19.9 320 134 B Y H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.923 111.2 51.3 -57.9 -46.4 42.9 20.3 22.0 321 135 B V H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.909 106.4 54.7 -54.8 -47.0 40.6 21.3 24.9 322 136 B E H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.917 109.4 47.6 -53.8 -45.4 37.6 21.4 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