==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-12 4G8P . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.SUGISHIMA,K.MOFFAT,M.NOGUCHI . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 76.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 0 0 1 0 0 0 0 2 2 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 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 11 A Q 0 0 140 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 136.8 -50.3 0.9 -12.6 2 12 A D >> - 0 0 81 1,-0.1 4,-2.3 4,-0.0 3,-0.7 -0.342 360.0-124.5 -61.9 135.8 -47.1 -0.2 -14.4 3 13 A L H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.824 109.3 57.7 -46.1 -43.2 -44.1 2.2 -14.1 4 14 A S H 3> S+ 0 0 9 169,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.886 112.3 42.2 -62.1 -36.0 -43.7 2.4 -18.0 5 15 A E H <> S+ 0 0 113 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.891 111.0 54.1 -74.3 -44.1 -47.3 3.7 -18.2 6 16 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.858 111.2 47.7 -58.9 -36.2 -47.0 6.0 -15.2 7 17 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.920 110.9 49.1 -76.9 -42.2 -43.9 7.6 -16.8 8 18 A K H X S+ 0 0 131 -4,-1.8 4,-0.7 -5,-0.2 3,-0.2 0.948 116.2 44.3 -63.8 -42.5 -45.5 8.0 -20.3 9 19 A E H >< S+ 0 0 102 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.881 111.7 51.8 -65.0 -46.4 -48.6 9.6 -18.7 10 20 A A H 3< S+ 0 0 31 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.708 117.7 38.0 -64.4 -25.1 -46.7 11.8 -16.3 11 21 A T H 3X S+ 0 0 4 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.385 84.5 96.0-111.4 4.9 -44.5 13.2 -19.1 12 22 A K H S+ 0 0 133 -4,-0.4 4,-2.0 2,-0.2 3,-0.2 0.960 113.4 46.2 -68.0 -50.8 -47.7 17.3 -21.3 14 24 A V H > S+ 0 0 7 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.834 105.8 61.4 -60.8 -30.9 -44.1 18.3 -20.9 15 25 A H H X S+ 0 0 84 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.950 103.0 51.0 -61.7 -41.6 -43.1 16.4 -24.0 16 26 A I H X S+ 0 0 101 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.951 110.4 49.6 -58.5 -47.0 -45.5 18.7 -26.0 17 27 A R H < S+ 0 0 148 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.908 109.2 52.2 -59.0 -41.2 -43.8 21.6 -24.5 18 28 A A H >< S+ 0 0 11 -4,-2.4 3,-1.6 1,-0.2 6,-0.3 0.919 107.4 51.5 -65.2 -42.3 -40.3 20.2 -25.3 19 29 A E H 3< S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.770 108.8 53.1 -63.8 -23.4 -41.2 19.7 -29.0 20 30 A N T 3< S+ 0 0 83 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.257 74.4 122.4-102.1 11.0 -42.4 23.3 -29.2 21 31 A S S <> S- 0 0 11 -3,-1.6 4,-2.9 1,-0.1 5,-0.3 -0.436 78.4-112.1 -59.6 153.3 -39.3 24.9 -27.8 22 32 A E H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 116.8 52.5 -59.5 -39.1 -38.1 27.4 -30.5 23 33 A F H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 113.5 42.0 -62.0 -47.0 -34.9 25.3 -31.2 24 34 A M H > S+ 0 0 19 -6,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.839 111.6 55.4 -73.8 -31.0 -36.9 22.1 -31.7 25 35 A R H X S+ 0 0 101 -4,-2.9 4,-1.5 2,-0.2 6,-0.2 0.939 113.0 42.3 -60.7 -49.3 -39.6 23.8 -33.7 26 36 A N H <>S+ 0 0 41 -4,-2.5 5,-2.7 -5,-0.3 6,-0.3 0.944 113.7 53.0 -61.8 -42.7 -36.9 25.1 -36.1 27 37 A F H ><5S+ 0 0 8 -4,-2.5 3,-2.3 1,-0.2 5,-0.4 0.956 109.4 48.8 -56.0 -54.0 -35.2 21.6 -36.0 28 38 A Q H 3<5S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.728 105.6 57.1 -61.3 -29.7 -38.4 19.9 -37.0 29 39 A K T 3<5S- 0 0 128 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.388 122.0-106.9 -77.6 0.3 -39.0 22.2 -39.8 30 40 A G T < 5S+ 0 0 34 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.2 0.590 85.6 124.4 79.9 14.7 -35.7 21.3 -41.3 31 41 A Q < + 0 0 130 -5,-2.7 -4,-0.2 -6,-0.2 -3,-0.1 0.391 28.2 132.6 -88.0 13.8 -34.1 24.7 -40.3 32 42 A V - 0 0 17 -5,-0.4 2,-0.2 -6,-0.3 -8,-0.0 -0.341 43.2-149.9 -76.4 127.3 -31.1 23.4 -38.2 33 43 A S > - 0 0 58 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.600 27.2-113.3 -82.4 155.4 -27.7 25.0 -39.0 34 44 A R H > S+ 0 0 170 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.917 120.9 53.9 -48.3 -44.9 -24.3 23.1 -38.7 35 45 A E H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 111.7 41.1 -60.6 -46.3 -23.6 25.6 -35.9 36 46 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.909 115.7 50.7 -70.1 -38.1 -26.8 24.9 -34.0 37 47 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.948 109.6 51.1 -67.5 -41.8 -26.5 21.1 -34.6 38 48 A K H X S+ 0 0 53 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.919 109.9 50.8 -59.9 -42.9 -22.8 21.1 -33.3 39 49 A L H X S+ 0 0 27 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.914 112.8 43.9 -63.0 -46.1 -23.9 23.0 -30.1 40 50 A V H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 115.1 48.7 -70.3 -37.1 -26.7 20.5 -29.3 41 51 A M H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.885 110.7 50.5 -69.3 -35.9 -24.6 17.4 -30.1 42 52 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.896 110.3 50.3 -65.8 -39.2 -21.7 18.7 -27.9 43 53 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.917 109.8 50.4 -64.9 -43.5 -24.1 19.3 -25.1 44 54 A L H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.895 102.7 61.7 -63.4 -36.5 -25.5 15.8 -25.4 45 55 A Y H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.929 109.2 40.7 -50.9 -52.9 -21.9 14.4 -25.4 46 56 A H H X S+ 0 0 30 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.921 116.2 50.9 -61.8 -41.0 -21.5 15.9 -21.8 47 57 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.935 113.5 42.0 -67.5 -48.7 -25.0 14.8 -20.7 48 58 A Y H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.889 110.4 58.4 -70.3 -31.4 -24.6 11.2 -21.9 49 59 A T H X S+ 0 0 15 -4,-2.0 4,-1.8 -5,-0.4 -2,-0.2 0.947 112.6 39.9 -54.0 -48.3 -21.1 11.1 -20.5 50 60 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.916 115.1 52.5 -69.9 -45.6 -22.4 11.9 -17.0 51 61 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.945 113.0 43.8 -56.1 -49.5 -25.6 9.7 -17.4 52 62 A E H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.789 108.4 57.6 -72.9 -30.2 -23.5 6.7 -18.3 53 63 A E H X S+ 0 0 87 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.2 43.9 -58.1 -47.5 -20.9 7.3 -15.6 54 64 A E H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.866 109.9 55.5 -71.1 -33.3 -23.7 7.1 -13.1 55 65 A I H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.2 3,-0.2 0.953 109.4 47.2 -57.1 -48.6 -25.2 4.1 -14.8 56 66 A E H >< S+ 0 0 72 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.903 109.5 54.0 -62.0 -41.3 -21.8 2.3 -14.4 57 67 A R H 3< S+ 0 0 149 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.844 119.6 33.7 -54.9 -41.4 -21.7 3.4 -10.8 58 68 A N T >< S+ 0 0 12 -4,-1.8 3,-1.7 -3,-0.2 7,-0.3 0.174 79.5 118.4-105.1 16.1 -25.1 1.9 -10.1 59 69 A K T < S+ 0 0 92 -3,-1.1 9,-0.2 1,-0.3 -1,-0.2 0.793 84.3 38.6 -58.5 -33.8 -25.0 -1.1 -12.5 60 70 A Q T 3 S+ 0 0 172 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.370 87.8 109.0 -96.8 3.1 -25.4 -3.6 -9.7 61 71 A N X> - 0 0 50 -3,-1.7 4,-3.0 1,-0.1 3,-2.4 -0.712 69.3-139.0 -83.4 123.0 -27.8 -1.6 -7.6 62 72 A P T 34 S+ 0 0 99 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.661 98.8 67.9 -60.9 -16.6 -31.2 -3.4 -7.8 63 73 A V T 34 S+ 0 0 52 1,-0.1 57,-0.3 116,-0.1 116,-0.1 0.585 124.4 12.9 -73.1 -10.5 -33.0 0.0 -8.1 64 74 A Y T X4 S+ 0 0 2 -3,-2.4 3,-2.6 -6,-0.3 -1,-0.1 0.620 100.8 94.1-124.6 -37.6 -31.4 0.3 -11.5 65 75 A A G >< S+ 0 0 33 -4,-3.0 3,-2.2 -7,-0.3 -2,-0.1 0.645 76.5 63.7 -46.1 -37.8 -29.8 -3.0 -12.6 66 76 A P G 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.770 103.7 52.3 -65.8 -16.1 -32.7 -4.4 -14.7 67 77 A L G < S+ 0 0 1 -3,-2.6 2,-1.4 108,-0.1 -2,-0.2 0.262 75.5 126.4 -94.4 11.6 -32.2 -1.5 -17.0 68 78 A Y < + 0 0 75 -3,-2.2 -3,-0.1 -9,-0.2 -1,-0.0 -0.555 20.4 144.5 -75.2 95.3 -28.5 -2.1 -17.5 69 79 A F >> + 0 0 21 -2,-1.4 4,-2.3 1,-0.1 5,-0.6 -0.482 5.1 155.0-127.8 64.1 -28.1 -2.3 -21.3 70 80 A P H >5S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.918 72.1 50.7 -59.4 -45.4 -24.8 -0.8 -22.2 71 81 A E H 45S+ 0 0 148 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.903 119.3 36.6 -62.0 -42.0 -24.1 -2.6 -25.5 72 82 A E H 45S+ 0 0 48 1,-0.1 89,-0.3 88,-0.1 -1,-0.2 0.870 132.1 17.9 -74.7 -45.4 -27.6 -1.8 -26.9 73 83 A L H <5S+ 0 0 2 -4,-2.3 -2,-0.2 88,-0.1 -1,-0.1 0.736 81.1 115.0-108.0 -35.5 -28.2 1.7 -25.6 74 84 A H << - 0 0 31 -4,-1.6 4,-0.2 -5,-0.6 -26,-0.0 -0.200 36.2-173.5 -58.8 141.0 -25.1 3.6 -24.4 75 85 A R > + 0 0 12 2,-0.1 4,-2.9 -27,-0.1 5,-0.2 0.497 57.1 93.7-111.1 -10.9 -24.3 6.7 -26.6 76 86 A R H > S+ 0 0 97 1,-0.2 4,-2.3 -28,-0.2 5,-0.2 0.927 89.3 47.3 -57.7 -48.5 -21.0 8.0 -25.3 77 87 A A H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 114.8 47.2 -56.6 -47.1 -18.9 6.1 -27.9 78 88 A A H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 78,-0.4 0.909 110.6 51.7 -58.2 -45.8 -21.2 7.2 -30.7 79 89 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.849 106.6 55.0 -66.0 -33.1 -21.1 10.8 -29.5 80 90 A E H X S+ 0 0 65 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.910 107.7 49.2 -63.0 -44.3 -17.3 10.6 -29.5 81 91 A Q H X S+ 0 0 126 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.911 112.2 48.6 -56.8 -48.5 -17.3 9.6 -33.1 82 92 A D H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.895 107.5 53.9 -64.8 -35.5 -19.7 12.4 -33.9 83 93 A M H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.930 108.4 49.8 -63.4 -45.2 -17.5 15.0 -32.0 84 94 A A H X S+ 0 0 46 -4,-2.1 4,-1.4 3,-0.2 -1,-0.2 0.897 114.0 48.1 -57.7 -38.4 -14.4 13.9 -34.2 85 95 A F H < S+ 0 0 98 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.942 122.3 30.1 -67.7 -51.9 -16.7 14.3 -37.3 86 96 A W H < S+ 0 0 35 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.813 134.7 27.2 -83.2 -30.1 -18.1 17.8 -36.4 87 97 A Y H < S- 0 0 42 -4,-3.2 3,-0.3 -5,-0.3 -3,-0.2 0.477 103.6-124.0-114.2 -5.6 -15.2 19.2 -34.4 88 98 A G >< - 0 0 20 -4,-1.4 3,-1.4 -5,-0.5 -1,-0.2 -0.214 48.2 -45.6 87.8 179.0 -12.1 17.4 -35.8 89 99 A P T 3 S+ 0 0 108 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.764 135.2 50.2 -64.6 -23.1 -9.4 15.4 -34.2 90 100 A H T >> S+ 0 0 128 -3,-0.3 3,-1.2 1,-0.2 4,-1.0 -0.107 70.7 132.7-103.2 40.4 -8.9 17.8 -31.3 91 101 A W H X> + 0 0 23 -3,-1.4 4,-2.2 1,-0.2 3,-0.8 0.847 56.3 71.0 -59.9 -32.8 -12.5 18.0 -30.5 92 102 A Q H 34 S+ 0 0 110 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.862 109.0 35.3 -59.5 -33.0 -12.0 17.5 -26.7 93 103 A E H <4 S+ 0 0 143 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.647 117.7 53.0 -93.9 -9.1 -10.5 21.0 -26.5 94 104 A A H << S+ 0 0 58 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.747 86.0 95.6 -88.1 -29.1 -12.8 22.6 -29.1 95 105 A I S < S- 0 0 24 -4,-2.2 2,-0.1 1,-0.1 -56,-0.1 -0.323 70.7-123.2 -77.1 143.3 -16.3 21.6 -27.8 96 106 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.431 11.9-159.6 -76.7 157.0 -18.4 23.8 -25.6 97 107 A Y - 0 0 101 -2,-0.1 -54,-0.1 -51,-0.0 -58,-0.0 -0.775 24.4-159.4-134.3 87.2 -19.7 23.0 -22.2 98 108 A T > - 0 0 9 -2,-0.3 4,-2.8 -59,-0.2 5,-0.2 -0.213 27.0-113.0 -72.8 162.0 -22.6 25.4 -21.7 99 109 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.885 118.7 50.6 -61.7 -37.2 -24.0 26.4 -18.3 100 110 A A H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 103,-0.2 0.834 111.3 50.5 -65.9 -35.8 -27.4 24.7 -19.0 101 111 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 109.8 50.2 -63.3 -45.9 -25.4 21.6 -19.9 102 112 A Q H X S+ 0 0 92 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.903 108.5 52.6 -59.5 -40.2 -23.5 21.9 -16.6 103 113 A H H X S+ 0 0 92 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.887 109.8 47.2 -62.4 -46.3 -26.7 22.2 -14.8 104 114 A Y H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.943 112.9 49.6 -61.2 -48.8 -28.1 19.0 -16.3 105 115 A V H X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.911 108.2 55.2 -55.7 -42.4 -24.8 17.1 -15.6 106 116 A K H X S+ 0 0 122 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.923 109.0 45.5 -57.3 -45.1 -24.9 18.4 -12.0 107 117 A R H X S+ 0 0 52 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.898 109.5 56.0 -72.9 -39.4 -28.4 16.9 -11.4 108 118 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.910 109.9 46.3 -54.1 -44.0 -27.3 13.6 -13.1 109 119 A H H X S+ 0 0 64 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.863 111.0 52.1 -68.0 -37.5 -24.4 13.4 -10.6 110 120 A E H X>S+ 0 0 64 -4,-2.2 4,-2.7 -5,-0.2 5,-1.1 0.930 113.8 43.9 -60.3 -47.7 -26.7 14.2 -7.7 111 121 A V H X5S+ 0 0 0 -4,-2.8 4,-1.1 3,-0.2 7,-0.3 0.966 116.8 44.7 -63.3 -48.7 -29.1 11.5 -8.8 112 122 A G H <5S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 122.9 36.6 -67.3 -36.2 -26.5 8.9 -9.5 113 123 A G H <5S+ 0 0 47 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.817 136.0 13.0 -83.9 -33.7 -24.6 9.6 -6.3 114 124 A T H <5S+ 0 0 102 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.685 133.8 31.8-120.5 -26.1 -27.3 10.4 -3.7 115 125 A H ><< + 0 0 62 -5,-1.1 3,-2.5 -4,-1.1 4,-0.3 -0.412 61.3 156.7-130.4 57.9 -30.7 9.3 -5.2 116 126 A P G > + 0 0 23 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.739 67.5 71.2 -63.0 -19.7 -30.0 6.3 -7.5 117 127 A E G 3 S+ 0 0 42 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.669 98.7 51.9 -68.1 -12.9 -33.5 5.0 -7.3 118 128 A L G X> S+ 0 0 7 -3,-2.5 3,-1.3 -7,-0.3 4,-0.8 0.469 81.0 92.6 -97.1 -5.2 -34.4 8.0 -9.5 119 129 A L H X> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 3,-0.9 0.883 75.7 66.5 -62.1 -32.3 -31.7 7.2 -12.2 120 130 A V H 3> S+ 0 0 0 -4,-0.4 4,-2.7 -57,-0.3 -1,-0.3 0.862 94.4 59.6 -52.4 -39.5 -34.4 5.3 -14.1 121 131 A A H <> S+ 0 0 0 -3,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.891 108.1 43.6 -55.8 -43.2 -36.2 8.6 -14.7 122 132 A H H S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.7 0.916 112.6 49.1 -72.1 -41.3 -32.5 6.9 -18.5 124 134 A Y H X>S+ 0 0 25 -4,-2.7 4,-1.4 -5,-0.2 5,-0.7 0.949 109.7 51.5 -57.5 -50.8 -36.2 6.8 -19.6 125 135 A T H <5S+ 0 0 12 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.888 122.1 29.9 -63.5 -40.6 -36.3 10.4 -20.6 126 136 A R H X5S+ 0 0 34 -4,-1.8 4,-2.3 3,-0.1 -2,-0.2 0.977 124.5 38.9 -80.9 -61.8 -33.2 10.2 -22.8 127 137 A Y H X5S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.2 -3,-0.2 0.862 115.4 48.0 -67.4 -39.9 -33.1 6.6 -24.2 128 138 A L H X4XS+ 0 0 32 -5,-0.7 5,-2.9 -4,-0.3 3,-1.0 0.921 108.6 54.2 -67.6 -38.9 -37.0 9.3 -26.6 130 140 A D H 3<5S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.6 51.6 -63.8 -36.1 -33.8 8.4 -28.6 131 141 A L H 3<5S+ 0 0 5 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.621 125.1 20.4 -80.6 -12.0 -35.5 5.1 -29.7 132 142 A S T XX5S+ 0 0 47 -3,-1.0 3,-1.7 -4,-0.6 4,-0.8 0.532 134.2 19.4-117.3 -88.7 -38.7 6.8 -30.9 133 143 A G H >>5S+ 0 0 36 1,-0.3 4,-2.2 -5,-0.2 3,-0.7 0.840 115.7 69.3 -59.0 -31.0 -38.8 10.4 -31.8 134 144 A G H 3> S+ 0 0 50 -3,-1.7 4,-1.4 -6,-0.3 -1,-0.2 0.820 106.5 48.5 -67.5 -32.5 -35.3 8.4 -35.3 136 146 A V H S+ 0 0 44 -4,-2.4 5,-1.8 -5,-0.3 4,-1.0 0.917 113.6 42.9 -56.1 -44.0 -29.9 14.1 -42.7 143 153 A K H <5S+ 0 0 186 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.913 115.3 48.0 -72.3 -44.1 -32.1 15.9 -45.1 144 154 A A H <5S+ 0 0 45 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 123.5 30.5 -60.5 -48.0 -31.3 19.5 -43.8 145 155 A M H <5S- 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.377 105.5-114.6-103.3 2.6 -27.5 19.1 -43.7 146 156 A A T <5 + 0 0 91 -4,-1.0 -3,-0.2 -3,-0.3 -4,-0.1 0.905 50.5 173.1 62.7 49.7 -26.8 16.6 -46.6 147 157 A L < - 0 0 14 -5,-1.8 -1,-0.2 -6,-0.3 6,-0.1 -0.708 31.7-112.4 -90.2 137.2 -25.6 13.9 -44.3 148 158 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.313 11.9-124.2 -73.1 146.9 -24.9 10.6 -46.0 149 159 A S T 3 S+ 0 0 110 1,-0.3 -2,-0.0 2,-0.1 -7,-0.0 0.771 103.8 80.8 -53.0 -30.9 -27.0 7.4 -45.3 150 160 A S T 3 S- 0 0 92 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.716 108.7-120.2 -55.6 -17.0 -23.7 5.7 -44.4 151 161 A G X + 0 0 18 -3,-2.0 3,-2.1 1,-0.3 6,-0.1 0.332 55.3 154.8 104.5 -7.5 -24.3 7.4 -41.0 152 162 A E T 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.2 -70,-0.1 -0.329 74.2 16.6 -54.5 132.9 -21.2 9.6 -40.5 153 163 A G T 3 S+ 0 0 2 -6,-0.1 -1,-0.2 -72,-0.1 3,-0.1 0.325 119.9 68.8 86.7 -12.7 -22.0 12.5 -38.2 154 164 A L X + 0 0 0 -3,-2.1 3,-1.2 1,-0.1 -2,-0.2 -0.023 51.8 125.5-127.0 28.9 -25.1 10.9 -36.9 155 165 A A G > S+ 0 0 14 -77,-0.3 3,-2.4 1,-0.2 -76,-0.2 0.881 70.6 65.2 -53.5 -36.4 -23.7 7.9 -34.9 156 166 A F G 3 S+ 0 0 4 -78,-0.4 -1,-0.2 1,-0.3 -77,-0.1 0.840 101.0 48.8 -54.9 -33.9 -25.7 9.2 -31.9 157 167 A F G < S+ 0 0 11 -3,-1.2 2,-0.4 -6,-0.1 -1,-0.3 0.339 98.7 86.2 -91.7 5.7 -28.9 8.4 -33.8 158 168 A T < - 0 0 44 -3,-2.4 -80,-0.1 -4,-0.2 -23,-0.0 -0.928 51.3-171.1-120.9 128.4 -27.8 4.8 -34.8 159 169 A F > + 0 0 15 -2,-0.4 3,-1.7 3,-0.2 -3,-0.1 -0.822 7.8 175.5-117.2 80.0 -28.2 1.7 -32.6 160 170 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -88,-0.1 0.687 79.8 53.3 -67.7 -17.3 -26.2 -1.0 -34.4 161 171 A S T 3 S+ 0 0 49 -89,-0.3 2,-0.5 -90,-0.3 -89,-0.1 0.245 97.3 72.5 -94.6 10.9 -26.8 -3.6 -31.6 162 172 A I < - 0 0 15 -3,-1.7 -3,-0.2 1,-0.1 -1,-0.1 -0.973 60.0-170.3-120.3 113.8 -30.6 -3.1 -31.6 163 173 A D S S+ 0 0 167 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.888 80.4 18.2 -66.8 -37.5 -32.3 -4.7 -34.7 164 174 A N >> - 0 0 78 1,-0.1 4,-2.2 2,-0.0 3,-0.8 -0.852 61.7-160.0-145.6 98.6 -35.7 -3.1 -34.1 165 175 A P H 3> S+ 0 0 36 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.842 93.3 56.3 -53.9 -35.8 -36.2 -0.1 -31.8 166 176 A T H 3> S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.920 110.8 41.7 -59.3 -46.6 -40.0 -0.8 -31.3 167 177 A K H <> S+ 0 0 44 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.912 116.2 49.6 -72.5 -40.5 -39.4 -4.3 -30.0 168 178 A F H X S+ 0 0 22 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.925 108.5 53.3 -62.8 -40.1 -36.4 -3.2 -27.8 169 179 A K H X S+ 0 0 36 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.949 107.4 51.4 -68.2 -35.7 -38.5 -0.4 -26.4 170 180 A Q H X S+ 0 0 104 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.3 0.909 111.6 47.4 -64.6 -36.9 -41.1 -2.9 -25.5 171 181 A L H X S+ 0 0 63 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.947 110.6 51.4 -65.8 -45.7 -38.5 -5.0 -23.7 172 182 A Y H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.928 111.6 48.3 -60.5 -45.7 -37.0 -2.0 -21.9 173 183 A R H X S+ 0 0 65 -4,-2.6 4,-1.8 -5,-0.2 -169,-0.3 0.932 109.6 51.3 -55.4 -48.1 -40.6 -1.1 -20.7 174 184 A A H < S+ 0 0 53 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.929 112.4 47.1 -57.7 -43.5 -41.2 -4.7 -19.5 175 185 A R H >< S+ 0 0 110 -4,-3.0 3,-1.9 1,-0.3 4,-0.4 0.902 106.5 57.0 -69.8 -36.3 -37.9 -4.6 -17.6 176 186 A M H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -1,-0.3 0.892 101.6 58.5 -53.1 -43.1 -38.7 -1.2 -16.1 177 187 A N T 3< S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.542 96.0 62.5 -70.0 -3.0 -41.8 -2.8 -14.8 178 188 A T T < S+ 0 0 86 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.523 77.7 112.1 -93.6 -10.3 -39.8 -5.4 -12.8 179 189 A L S < S- 0 0 11 -3,-1.6 2,-0.2 -4,-0.4 -176,-0.1 -0.436 84.1-100.5 -63.7 142.6 -38.2 -2.7 -10.7 180 190 A E - 0 0 174 -118,-0.3 2,-0.4 -2,-0.1 -1,-0.1 -0.457 51.2-169.8 -62.9 122.2 -39.2 -2.8 -7.0 181 191 A M + 0 0 57 -2,-0.2 3,-0.1 -4,-0.1 -1,-0.0 -0.962 21.0 174.3-127.6 136.4 -41.8 -0.1 -6.6 182 192 A T > - 0 0 62 -2,-0.4 4,-3.2 1,-0.1 5,-0.3 -0.875 49.5-103.5-124.8 164.4 -43.5 1.5 -3.7 183 193 A P H > S+ 0 0 116 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.913 122.7 54.2 -55.0 -39.8 -45.8 4.5 -3.9 184 194 A E H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.936 112.1 41.4 -57.7 -52.7 -43.0 6.6 -2.6 185 195 A V H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.943 115.2 50.9 -69.1 -39.6 -40.5 5.6 -5.3 186 196 A K H X S+ 0 0 53 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.931 109.7 48.2 -67.3 -43.3 -43.0 5.6 -8.1 187 197 A H H X S+ 0 0 130 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.895 115.2 45.5 -62.2 -43.5 -44.3 9.1 -7.3 188 198 A R H X S+ 0 0 89 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.862 108.6 56.4 -71.8 -36.6 -40.7 10.5 -7.1 189 199 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.924 109.0 46.2 -52.3 -49.6 -39.6 8.7 -10.3 190 200 A T H X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.894 112.4 51.6 -68.3 -34.9 -42.4 10.4 -12.3 191 201 A E H X S+ 0 0 88 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.920 109.5 49.0 -64.0 -43.0 -41.5 13.8 -10.7 192 202 A E H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.849 105.7 57.4 -65.7 -35.2 -37.8 13.4 -11.6 193 203 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.917 105.9 51.0 -62.3 -40.0 -38.8 12.4 -15.2 194 204 A K H X S+ 0 0 78 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.949 110.7 48.8 -62.8 -41.9 -40.6 15.8 -15.4 195 205 A T H X S+ 0 0 52 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.892 106.8 54.6 -58.0 -47.1 -37.5 17.5 -14.2 196 206 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.910 109.4 49.4 -50.2 -48.2 -35.3 15.6 -16.7 197 207 A F H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 110.3 50.6 -62.1 -40.3 -37.7 17.0 -19.4 198 208 A L H X S+ 0 0 85 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.912 105.9 54.9 -65.9 -39.4 -37.3 20.5 -18.0 199 209 A L H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.873 109.2 47.8 -60.1 -37.3 -33.6 20.3 -18.0 200 210 A N H X S+ 0 0 7 -4,-1.7 4,-2.5 -3,-0.2 -2,-0.2 0.921 111.0 50.5 -67.5 -43.5 -33.7 19.5 -21.7 201 211 A I H X S+ 0 0 14 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.938 109.7 52.5 -56.7 -48.5 -36.2 22.5 -22.4 202 212 A E H X S+ 0 0 69 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.870 108.3 49.4 -60.9 -37.7 -33.8 24.7 -20.5 203 213 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.940 111.0 49.3 -59.4 -49.6 -30.9 23.6 -22.6 204 214 A F H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.913 110.4 51.8 -63.1 -34.2 -32.8 24.2 -25.8 205 215 A E H X S+ 0 0 116 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.939 111.7 46.8 -65.0 -45.2 -33.8 27.6 -24.6 206 216 A E H X S+ 0 0 38 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.920 111.2 49.6 -59.3 -48.6 -30.2 28.4 -23.9 207 217 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.902 108.5 53.8 -63.4 -41.2 -28.9 27.2 -27.2 208 218 A Q H X S+ 0 0 28 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.884 109.6 47.6 -55.5 -44.4 -31.5 29.2 -29.1 209 219 A A H X S+ 0 0 52 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.859 110.9 51.7 -65.1 -37.8 -30.4 32.4 -27.3 210 220 A L H < S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.945 113.1 45.5 -66.2 -40.5 -26.7 31.6 -28.0 211 221 A L H < S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.798 112.2 50.2 -70.3 -34.9 -27.6 31.1 -31.7 212 222 A T H < 0 0 104 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.900 360.0 360.0 -76.6 -42.4 -29.8 34.3 -31.9 213 223 A E < 0 0 187 -4,-2.2 -4,-0.0 -5,-0.1 -3,-0.0 0.031 360.0 360.0 -24.2 360.0 -27.1 36.7 -30.3