==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-APR-03 1P3V . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR J.FRIEDMAN,L.LAD,R.DESHMUKH,H.LI,A.WILKS,T.L.POULOS . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 1 0.5 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 . 34 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 2 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A A 0 0 103 0, 0.0 6,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 92.5 27.2 9.6 8.1 2 9 A L + 0 0 144 4,-0.0 5,-0.1 2,-0.0 0, 0.0 0.896 360.0 45.3 -80.9 -91.0 28.5 13.1 7.7 3 10 A T S > S- 0 0 44 1,-0.1 4,-0.7 3,-0.1 5,-0.1 0.014 84.7-113.5 -54.8 157.4 28.0 15.1 10.9 4 11 A F H >> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.894 118.3 55.0 -58.0 -40.2 28.9 13.8 14.4 5 12 A A H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 105.7 48.3 -62.8 -44.1 25.2 13.9 15.2 6 13 A K H 3> S+ 0 0 143 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.590 112.0 52.2 -75.8 -6.5 24.2 11.7 12.2 7 14 A R H X S+ 0 0 118 -4,-2.0 4,-1.7 2,-0.2 3,-1.2 0.961 109.9 50.8 -57.0 -58.2 22.3 8.3 15.4 10 17 A A H >< S+ 0 0 60 -4,-1.3 3,-0.7 1,-0.3 4,-0.5 0.935 113.4 45.7 -47.4 -55.6 23.4 5.8 12.8 11 18 A D H 3< S+ 0 0 65 -4,-2.6 -1,-0.3 1,-0.2 4,-0.2 0.645 121.3 36.1 -65.1 -17.5 25.4 3.8 15.4 12 19 A T H S+ 0 0 78 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.972 113.4 37.4 -54.1 -58.7 19.3 -0.3 16.7 15 22 A V H > S+ 0 0 32 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 113.7 59.5 -64.8 -30.3 19.6 -0.1 20.5 16 23 A H H X S+ 0 0 82 -4,-2.6 4,-2.9 1,-0.2 3,-0.4 0.950 105.4 47.4 -61.5 -49.4 17.3 2.9 20.5 17 24 A D H X S+ 0 0 51 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.877 107.8 55.6 -61.1 -37.2 14.6 0.9 18.9 18 25 A S H X S+ 0 0 27 -4,-1.9 4,-2.4 -5,-0.2 175,-0.3 0.856 110.2 46.7 -64.6 -30.9 15.1 -1.9 21.4 19 26 A V H X S+ 0 0 14 -4,-1.6 4,-3.5 -3,-0.4 5,-0.3 0.950 110.2 52.1 -72.2 -49.1 14.5 0.7 24.1 20 27 A D H X S+ 0 0 50 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.932 113.6 44.8 -49.8 -49.7 11.5 2.0 22.3 21 28 A N H X S+ 0 0 16 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.927 113.6 49.3 -62.7 -44.7 10.1 -1.6 22.2 22 29 A L H X S+ 0 0 4 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.900 111.1 49.5 -64.0 -39.8 11.0 -2.3 25.8 23 30 A V H < S+ 0 0 11 -4,-3.5 3,-0.3 1,-0.2 -1,-0.2 0.929 114.7 44.2 -64.8 -44.5 9.4 0.9 27.0 24 31 A M H >< S+ 0 0 58 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.854 106.2 63.9 -67.7 -32.4 6.2 0.1 25.1 25 32 A S H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 98.1 53.4 -58.8 -38.6 6.3 -3.5 26.2 26 33 A V T 3< S- 0 0 23 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.1 0.256 109.1-120.5 -85.5 12.7 5.9 -2.7 29.9 27 34 A Q X - 0 0 108 -3,-1.5 3,-0.8 2,-0.1 4,-0.5 0.940 36.3-177.3 45.4 72.0 2.7 -0.6 29.3 28 35 A P T 3 S+ 0 0 2 0, 0.0 10,-0.2 0, 0.0 3,-0.2 0.868 81.3 32.8 -61.7 -46.5 3.9 2.8 30.7 29 36 A F T 3 S+ 0 0 28 1,-0.2 -2,-0.1 5,-0.1 3,-0.1 0.151 90.7 99.3-102.5 18.4 0.6 4.7 30.2 30 37 A V S < S- 0 0 85 -3,-0.8 2,-0.2 1,-0.1 -1,-0.2 0.948 97.7 -9.6 -69.5 -47.2 -1.7 1.7 30.8 31 38 A S S > S- 0 0 43 -4,-0.5 4,-1.2 -3,-0.2 -1,-0.1 -0.787 74.9 -97.7-140.1-178.7 -2.4 2.7 34.4 32 39 A K H > S+ 0 0 112 -2,-0.2 4,-2.0 2,-0.2 3,-0.3 0.935 117.5 53.1 -71.9 -49.4 -1.2 5.1 37.1 33 40 A E H >> S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.955 111.1 49.5 -48.6 -55.1 1.1 2.7 39.0 34 41 A N H 3> S+ 0 0 31 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.807 108.4 50.9 -55.3 -36.6 2.8 2.0 35.7 35 42 A Y H 3X S+ 0 0 0 -4,-1.2 4,-1.2 -3,-0.3 -1,-0.3 0.800 109.3 53.1 -73.5 -26.1 3.2 5.7 34.8 36 43 A I H X S+ 0 0 2 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.793 110.3 54.9 -66.3 -27.7 18.0 12.0 34.1 47 54 A K H >X S+ 0 0 95 -4,-2.0 3,-1.0 1,-0.2 4,-0.6 0.930 104.0 57.5 -66.3 -44.9 19.7 12.1 37.5 48 55 A A H 3< S+ 0 0 3 -4,-2.3 47,-0.3 1,-0.2 -1,-0.2 0.576 113.8 36.8 -62.0 -13.5 22.5 10.2 35.9 49 56 A V H X> S+ 0 0 1 -3,-0.7 4,-1.9 -4,-0.4 3,-1.0 0.417 88.7 95.2-117.7 -1.8 23.1 12.9 33.2 50 57 A D H - 0 0 67 -3,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.369 56.8-137.5 -60.7 126.0 29.4 20.4 33.4 56 63 A A H > S+ 0 0 73 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.873 99.2 46.7 -53.8 -47.4 31.2 23.7 33.2 57 64 A E H >> S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 3,-1.8 0.974 113.7 47.2 -62.9 -52.5 33.3 23.0 30.1 58 65 A L H 3> S+ 0 0 20 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.800 108.3 57.1 -59.1 -28.2 30.4 21.6 28.1 59 66 A N H 3< S+ 0 0 29 -4,-2.0 5,-0.4 2,-0.2 -1,-0.3 0.701 105.5 51.1 -75.8 -15.9 28.4 24.7 29.2 60 67 A K H << S+ 0 0 185 -3,-1.8 -2,-0.2 -4,-0.7 -1,-0.2 0.820 116.1 40.4 -83.3 -37.0 31.2 26.8 27.6 61 68 A A H < S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.786 125.2 38.4 -80.6 -29.3 30.9 24.8 24.4 62 69 A I S >< S- 0 0 0 -4,-2.7 3,-2.2 -5,-0.2 -1,-0.3 -0.826 90.2-132.4-129.4 94.8 27.1 24.7 24.6 63 70 A P T 3 S- 0 0 66 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.131 86.8 -1.5 -47.1 124.2 25.4 27.9 25.8 64 71 A E T > S+ 0 0 121 -5,-0.4 3,-2.1 1,-0.1 4,-0.3 0.624 83.6 144.4 68.3 14.6 22.8 27.4 28.5 65 72 A L G X + 0 0 0 -3,-2.2 3,-2.6 1,-0.3 4,-0.4 0.906 65.7 62.5 -48.7 -44.8 23.2 23.6 28.3 66 73 A E G > S+ 0 0 83 1,-0.3 3,-0.6 -4,-0.2 -1,-0.3 0.728 96.9 56.7 -54.8 -26.3 22.6 23.5 32.1 67 74 A Y G < S+ 0 0 172 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.428 94.2 69.1 -88.3 3.9 19.1 24.8 31.6 68 75 A M G < S+ 0 0 33 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.597 72.1 115.2 -92.2 -14.8 18.3 22.0 29.2 69 76 A A < - 0 0 21 -3,-0.6 4,-0.2 -4,-0.4 -19,-0.0 -0.211 45.2-170.0 -56.0 145.4 18.4 19.4 32.0 70 77 A R > + 0 0 23 -24,-0.1 4,-2.0 2,-0.1 5,-0.1 0.330 63.7 93.0-122.4 4.8 15.1 17.7 32.7 71 78 A Y H > S+ 0 0 36 -25,-0.3 4,-2.3 2,-0.2 5,-0.2 0.910 85.9 57.6 -62.8 -41.1 15.8 15.8 35.9 72 79 A D H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.942 108.6 45.2 -52.0 -51.7 14.4 18.9 37.8 73 80 A A H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 61,-0.3 0.843 109.3 55.4 -63.3 -35.7 11.1 18.6 35.9 74 81 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 106.3 50.7 -65.9 -37.9 11.0 14.8 36.5 75 82 A T H X S+ 0 0 33 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.856 109.7 52.1 -67.0 -32.8 11.3 15.3 40.2 76 83 A Q H X S+ 0 0 72 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.920 108.0 51.0 -69.2 -41.7 8.4 17.9 39.9 77 84 A D H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.901 107.8 51.5 -62.7 -42.4 6.3 15.3 38.1 78 85 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.2 1,-0.2 3,-0.7 0.922 108.4 52.6 -59.2 -44.2 6.8 12.6 40.7 79 86 A K H >X5S+ 0 0 138 -4,-1.7 3,-1.7 1,-0.2 4,-0.6 0.972 99.0 65.5 -52.4 -56.3 5.7 15.2 43.3 80 87 A D H 3<5S+ 0 0 31 -4,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.772 103.4 46.3 -33.6 -45.5 2.6 15.8 41.3 81 88 A L T <<5S- 0 0 12 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.1 -0.255 126.6 -94.5 -99.8 46.1 1.4 12.3 42.0 82 89 A G T <45S+ 0 0 64 -3,-1.7 2,-0.4 -2,-0.3 -3,-0.2 0.903 83.1 139.5 43.9 51.9 2.1 12.2 45.7 83 90 A E << - 0 0 58 -5,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 -0.970 51.4-132.1-129.5 142.7 5.5 10.7 45.1 84 91 A E - 0 0 158 -2,-0.4 2,-0.6 1,-0.1 3,-0.1 -0.608 51.7 -82.0 -85.7 149.1 8.9 11.3 46.7 85 92 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.362 61.5-112.3 -55.5 104.3 11.9 11.6 44.3 86 93 A Y - 0 0 51 -2,-0.6 2,-0.5 1,-0.1 -8,-0.0 0.104 28.4-143.8 -36.9 147.6 12.6 8.0 43.6 87 94 A K - 0 0 165 -3,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.985 7.0-136.6-125.7 123.4 15.9 6.6 45.0 88 95 A F - 0 0 18 -2,-0.5 4,-0.1 1,-0.1 92,-0.0 -0.478 13.9-132.7 -76.6 148.9 17.9 4.1 43.1 89 96 A D S S+ 0 0 112 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.992 83.9 38.7 -65.8 -66.2 19.4 1.2 45.1 90 97 A K S S- 0 0 123 1,-0.1 2,-0.5 0, 0.0 -2,-0.1 0.056 104.7 -75.7 -73.8-170.9 23.0 1.1 43.9 91 98 A E - 0 0 192 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.790 52.5-117.4 -94.2 131.9 25.2 4.1 43.1 92 99 A L - 0 0 46 -2,-0.5 -1,-0.1 1,-0.1 -47,-0.0 -0.223 28.2 -97.7 -69.1 152.8 24.5 5.8 39.8 93 100 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.390 32.8-169.2 -64.8 148.9 26.9 6.1 36.8 94 101 A Y - 0 0 184 -3,-0.1 -45,-0.1 -45,-0.0 6,-0.1 -0.534 17.7-172.8-141.8 66.0 28.7 9.4 36.9 95 102 A E + 0 0 57 -47,-0.3 2,-0.3 4,-0.1 74,-0.0 -0.099 6.9 176.4 -64.8 158.4 30.3 9.5 33.4 96 103 A A > + 0 0 63 -44,-0.0 4,-0.8 0, 0.0 3,-0.4 -0.923 37.0 27.1-152.0 174.8 32.8 12.0 32.1 97 104 A G H > S- 0 0 57 -2,-0.3 4,-0.7 1,-0.2 3,-0.2 -0.319 116.8 -18.3 70.1-149.7 35.0 12.9 29.2 98 105 A N H >> S+ 0 0 50 1,-0.2 3,-1.7 2,-0.2 4,-0.9 0.933 136.8 56.1 -58.5 -50.5 34.2 11.8 25.7 99 106 A K H >> S+ 0 0 61 -3,-0.4 4,-1.1 1,-0.3 3,-1.1 0.872 99.7 61.0 -50.4 -40.7 31.9 9.0 26.8 100 107 A A H 3X S+ 0 0 4 -4,-0.8 4,-2.0 1,-0.3 -1,-0.3 0.797 95.1 61.8 -59.6 -28.1 29.8 11.6 28.7 101 108 A I H X S+ 0 0 1 -4,-3.9 3,-0.8 1,-0.2 4,-0.7 0.846 111.2 54.6 -65.7 -33.1 18.9 15.4 24.6 109 116 A G H >X S+ 0 0 15 -4,-3.1 4,-1.6 -5,-0.3 3,-1.2 0.882 97.0 64.2 -67.2 -36.2 17.7 13.3 21.7 110 117 A S H 3X S+ 0 0 47 -4,-1.4 4,-0.5 -5,-0.3 -1,-0.2 0.713 98.6 56.2 -60.2 -19.1 15.0 11.7 24.0 111 118 A N H << S+ 0 0 10 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.782 103.3 56.9 -80.7 -27.5 13.5 15.1 24.3 112 119 A L H X< S+ 0 0 67 -3,-1.2 3,-0.8 -4,-0.7 -2,-0.2 0.995 116.2 30.8 -63.5 -64.7 13.3 15.2 20.5 113 120 A G H >< S+ 0 0 49 -4,-1.6 3,-1.3 1,-0.2 4,-0.5 0.474 87.9 102.8 -76.9 -2.2 11.2 12.1 20.0 114 121 A A T 3X + 0 0 2 -4,-0.5 4,-3.2 -5,-0.3 5,-0.3 0.602 56.7 93.1 -57.0 -9.0 9.4 12.5 23.3 115 122 A A H <> S+ 0 0 50 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 0.930 82.9 49.8 -49.0 -52.1 6.5 13.7 21.2 116 123 A F H <> S+ 0 0 104 -3,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.927 113.4 45.1 -53.9 -51.6 5.0 10.2 21.0 117 124 A L H > S+ 0 0 34 -4,-0.5 4,-1.9 1,-0.2 3,-0.4 0.933 110.8 53.1 -59.7 -48.6 5.2 9.7 24.8 118 125 A F H X S+ 0 0 26 -4,-3.2 4,-1.8 17,-0.3 -1,-0.2 0.897 106.6 55.1 -55.0 -41.2 3.8 13.1 25.5 119 126 A K H X S+ 0 0 130 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.857 112.0 41.4 -61.0 -39.3 0.8 12.3 23.3 120 127 A H H X S+ 0 0 44 -4,-1.5 4,-0.9 -3,-0.4 -1,-0.2 0.700 110.9 56.7 -83.6 -19.3 0.0 9.1 25.2 121 128 A A H <>S+ 0 0 0 -4,-1.9 5,-1.3 1,-0.2 -2,-0.2 0.818 98.9 60.5 -79.3 -31.4 0.6 10.6 28.6 122 129 A Q H ><5S+ 0 0 94 -4,-1.8 3,-1.6 -5,-0.2 -1,-0.2 0.791 95.5 61.9 -66.7 -27.3 -1.9 13.4 28.0 123 130 A K H 3<5S+ 0 0 154 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.969 98.1 57.2 -60.5 -49.8 -4.7 10.8 27.5 124 131 A L T 3<5S- 0 0 45 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.291 130.3 -98.4 -64.6 12.2 -4.0 9.7 31.1 125 132 A D T < 5S+ 0 0 130 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.817 84.3 128.3 74.3 32.3 -4.8 13.4 32.1 126 133 A Y < + 0 0 20 -5,-1.3 -1,-0.3 -8,-0.1 2,-0.3 -0.936 23.2 136.4-122.3 145.7 -1.1 14.4 32.4 127 134 A N B > > -Ab 130 131A 65 3,-2.9 5,-1.9 -2,-0.4 3,-0.7 -0.893 63.5 -45.9-162.0-168.0 0.6 17.4 30.8 128 135 A G T 3 5S+ 0 0 28 -2,-0.3 3,-0.1 1,-0.3 8,-0.1 0.742 132.1 35.8 -45.2 -35.2 3.0 20.3 31.1 129 136 A E T 3 5S+ 0 0 152 1,-0.2 2,-0.4 3,-0.1 -1,-0.3 0.689 125.8 32.1 -96.2 -21.9 1.6 21.5 34.4 130 137 A H B < 5S-A 127 0A 84 -3,-0.7 -3,-2.9 -49,-0.0 2,-0.4 -0.920 125.9 -25.3-145.0 116.6 0.8 18.2 36.0 131 138 A G B 5S+b 127 0A 0 -2,-0.4 3,-0.1 -5,-0.2 -3,-0.1 -0.009 125.2 58.7 80.0 -31.6 2.5 14.8 35.6 132 139 A A >>< + 0 0 0 -5,-1.9 4,-0.9 -2,-0.4 3,-0.8 -0.058 57.7 123.8-124.1 36.4 4.1 15.3 32.2 133 140 A R G >4 S+ 0 0 72 1,-0.2 3,-0.7 -60,-0.2 -59,-0.1 0.914 77.4 51.0 -59.7 -44.4 6.3 18.3 32.6 134 141 A H G 34 S+ 0 0 1 -61,-0.3 -1,-0.2 1,-0.2 -60,-0.1 0.621 110.6 48.3 -72.2 -12.6 9.4 16.4 31.4 135 142 A L G <4 S+ 0 0 0 -3,-0.8 -17,-0.3 -18,-0.1 -1,-0.2 0.554 85.5 112.0-101.3 -11.8 7.8 15.1 28.3 136 143 A A S << S- 0 0 25 -4,-0.9 2,-0.1 -3,-0.7 -22,-0.1 -0.235 78.0-101.7 -59.0 149.1 6.4 18.5 27.2 137 144 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.426 42.9 -92.5 -74.8 151.0 8.0 20.0 24.1 138 145 A H > - 0 0 53 -27,-0.2 3,-3.0 1,-0.1 4,-0.1 -0.355 35.2-116.3 -61.9 139.7 10.6 22.7 24.4 139 146 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.774 116.8 54.1 -48.2 -30.0 9.1 26.2 24.3 140 147 A D T 3 S- 0 0 114 1,-0.1 5,-0.3 2,-0.1 4,-0.2 0.270 128.3 -89.8 -90.8 13.3 11.1 26.9 21.1 141 148 A G <> - 0 0 30 -3,-3.0 4,-2.6 3,-0.2 5,-0.4 0.552 31.1-103.8 84.6 126.3 9.6 23.8 19.4 142 149 A R H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 118.5 46.4 -45.0 -54.3 11.2 20.3 19.6 143 150 A G H > S+ 0 0 22 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.908 116.2 42.5 -59.4 -47.5 12.6 20.4 16.0 144 151 A K H > S+ 0 0 138 -4,-0.2 4,-2.9 2,-0.2 5,-0.3 0.991 115.3 48.7 -63.0 -60.0 14.1 23.8 16.2 145 152 A H H X S+ 0 0 19 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.827 114.2 47.9 -48.9 -38.0 15.5 23.4 19.7 146 153 A W H X S+ 0 0 40 -4,-2.2 4,-3.1 -5,-0.4 -1,-0.2 0.914 109.6 50.2 -73.0 -43.1 17.0 20.0 18.6 147 154 A R H X S+ 0 0 135 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.908 111.4 50.8 -60.6 -39.4 18.5 21.4 15.4 148 155 A A H X S+ 0 0 50 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.910 110.9 48.6 -63.5 -42.1 20.0 24.1 17.5 149 156 A F H X S+ 0 0 3 -4,-1.8 4,-1.8 -5,-0.3 3,-0.3 0.934 107.4 54.5 -62.0 -48.6 21.4 21.5 19.9 150 157 A V H X S+ 0 0 22 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.844 99.8 64.1 -54.4 -36.2 22.8 19.5 17.1 151 158 A E H X S+ 0 0 129 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.953 106.3 40.8 -52.8 -55.1 24.7 22.6 15.9 152 159 A H H X S+ 0 0 61 -4,-1.2 4,-1.2 -3,-0.3 -1,-0.2 0.829 111.1 57.5 -65.6 -33.4 26.8 22.7 19.0 153 160 A L H < S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 4,-0.5 0.941 112.1 41.4 -61.4 -48.2 27.3 18.9 19.1 154 161 A N H >< S+ 0 0 27 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.871 108.6 61.0 -65.3 -39.8 28.8 19.0 15.6 155 162 A A H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.753 86.6 75.5 -61.3 -25.9 30.8 22.2 16.5 156 163 A L T 3< S- 0 0 40 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.900 72.9-178.5 -53.3 -40.3 32.6 20.3 19.2 157 164 A N < + 0 0 118 -3,-1.2 2,-0.1 -4,-0.5 -3,-0.1 0.901 9.1 178.6 34.6 79.7 34.7 18.6 16.5 158 165 A L - 0 0 44 1,-0.2 -1,-0.1 2,-0.0 5,-0.0 -0.331 42.6 -64.7 -94.3-176.1 36.7 16.4 18.8 159 166 A T >> - 0 0 75 1,-0.1 4,-2.3 -2,-0.1 3,-1.9 -0.407 49.8-112.9 -69.2 148.9 39.3 14.0 17.6 160 167 A P H 3> S+ 0 0 94 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.773 122.5 54.5 -53.2 -25.3 37.8 11.1 15.5 161 168 A E H 3> S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.717 106.8 51.1 -80.1 -22.7 38.8 8.8 18.4 162 169 A A H <> S+ 0 0 5 -3,-1.9 4,-2.2 2,-0.2 5,-0.2 0.919 106.5 51.4 -77.7 -47.8 36.9 11.1 20.8 163 170 A E H X S+ 0 0 20 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.834 108.6 56.9 -56.6 -30.0 33.8 11.0 18.7 164 171 A A H X S+ 0 0 50 -4,-0.9 4,-1.9 -5,-0.3 -1,-0.2 0.951 104.8 47.3 -66.3 -50.4 34.3 7.2 18.9 165 172 A E H X S+ 0 0 97 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.832 109.9 55.6 -61.1 -32.4 34.3 7.2 22.7 166 173 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.903 106.3 48.8 -67.4 -41.6 31.2 9.3 22.6 167 174 A I H X S+ 0 0 13 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.852 111.6 50.9 -66.3 -31.9 29.4 6.8 20.4 168 175 A Q H X S+ 0 0 83 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.852 110.9 48.8 -71.9 -33.5 30.5 4.1 22.8 169 176 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.866 107.9 52.8 -72.8 -37.1 29.1 6.2 25.6 170 177 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.883 109.0 51.2 -65.6 -36.0 25.8 6.8 23.9 171 178 A R H X S+ 0 0 102 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.892 111.7 46.0 -67.6 -38.2 25.5 3.0 23.5 172 179 A E H X S+ 0 0 60 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.785 107.3 58.6 -74.1 -28.8 26.2 2.5 27.2 173 180 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 109.4 44.8 -64.2 -43.1 23.8 5.2 28.1 174 181 A F H X S+ 0 0 17 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.903 112.2 50.3 -67.1 -43.3 21.1 3.2 26.3 175 182 A A H >X S+ 0 0 46 -4,-1.9 4,-1.8 1,-0.2 3,-0.5 0.948 111.2 49.7 -59.8 -49.2 22.1 -0.1 27.8 176 183 A F H 3X S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.888 103.8 59.2 -56.8 -41.2 22.0 1.5 31.3 177 184 A Y H 3X S+ 0 0 20 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.881 107.8 47.5 -56.4 -37.6 18.5 3.0 30.6 178 185 A K H S+ 0 0 20 -4,-3.2 5,-3.9 1,-0.2 4,-0.2 0.876 113.5 44.9 -52.3 -41.0 14.2 -3.7 34.1 183 190 A E H ><5S+ 0 0 77 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.901 113.7 48.1 -73.7 -38.3 14.6 -3.0 37.8 184 191 A T H 3<5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.6 39.5 -68.9 -36.0 11.9 -0.4 38.0 185 192 A F T 3<5S- 0 0 25 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.256 114.3-111.7 -98.5 12.5 9.5 -2.7 36.2 186 193 A G T < 5 + 0 0 69 -3,-0.7 2,-0.3 -4,-0.2 -3,-0.2 0.875 62.0 155.9 62.5 40.7 10.5 -6.0 37.8 187 194 A L < - 0 0 61 -5,-3.9 -1,-0.2 -6,-0.2 3,-0.1 -0.716 43.6-108.6 -99.5 150.4 12.1 -7.5 34.7 188 195 A A > - 0 0 74 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 -0.153 53.3 -70.3 -67.9 168.7 14.8 -10.2 34.7 189 196 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -7,-0.0 3,-0.1 -0.316 119.5 7.1 -61.3 140.4 18.3 -9.4 33.7 190 197 A D T 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.544 87.4 168.6 64.3 6.6 18.8 -8.7 30.0 191 198 A A < - 0 0 24 -3,-1.7 2,-0.3 -13,-0.1 -1,-0.2 -0.233 9.5-177.4 -51.2 134.2 15.0 -8.8 29.5 192 199 A E - 0 0 96 -3,-0.1 3,-0.2 1,-0.1 -173,-0.1 -0.896 32.8 -87.3-132.4 162.9 14.2 -7.5 26.0 193 200 A A S S- 0 0 16 -175,-0.3 -171,-0.1 -2,-0.3 -1,-0.1 -0.153 70.9 -65.9 -62.9 164.3 10.9 -6.9 24.2 194 201 A P > - 0 0 83 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.323 69.3-102.6 -54.5 127.6 9.4 -9.8 22.3 195 202 A E T 3 S+ 0 0 204 1,-0.2 3,-0.1 -3,-0.2 -3,-0.0 -0.279 104.4 27.5 -60.7 132.9 11.8 -10.5 19.5 196 203 A G T 3 S+ 0 0 69 1,-0.4 -1,-0.2 -3,-0.1 2,-0.0 0.183 85.2 140.8 104.6 -14.7 10.8 -9.2 16.1 197 204 A M < - 0 0 69 -3,-1.9 -1,-0.4 -4,-0.0 -176,-0.1 -0.305 32.9-162.5 -63.4 142.4 8.7 -6.4 17.5 198 205 A M 0 0 149 1,-0.1 -1,-0.0 -3,-0.1 -180,-0.0 -0.948 360.0 360.0-128.7 147.8 8.8 -3.1 15.7 199 206 A P 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.910 360.0 360.0 -59.2 360.0 7.8 0.5 16.7