==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-10 3LX4 . COMPND 2 MOLECULE: FE-HYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR D.W.MULDER,E.S.BOYD,R.SARMA,R.K.LANGE,J.A.ENDRIZZI,J.B.BRODE . 814 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 4.9 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 0.2 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 . 42 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 2 2 3 3 2 8 0 0 2 2 0 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 4 2 2 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 . 4 2 2 0 0 0 0 2 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 2 0 0 2 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 25 A L 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.6 35.7 82.4 56.9 2 26 A S > - 0 0 58 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.229 360.0-106.1 -67.1 165.8 34.3 79.7 54.7 3 27 A H H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.857 123.2 55.6 -63.8 -33.8 35.3 76.1 55.4 4 28 A V H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 109.3 46.6 -59.6 -47.5 37.5 76.2 52.3 5 29 A Q H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.2 50.8 -62.8 -44.5 39.3 79.2 53.8 6 30 A Q H X S+ 0 0 72 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.942 112.6 46.9 -59.3 -48.3 39.7 77.6 57.2 7 31 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.908 112.4 49.1 -57.7 -46.7 41.2 74.4 55.7 8 32 A L H X S+ 0 0 38 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.863 107.3 55.8 -66.3 -34.1 43.6 76.4 53.5 9 33 A A H X S+ 0 0 54 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.899 106.7 49.9 -63.3 -40.9 44.7 78.5 56.4 10 34 A E H >< S+ 0 0 39 -4,-1.8 3,-0.7 1,-0.2 11,-0.3 0.908 112.7 47.2 -63.3 -40.3 45.6 75.3 58.4 11 35 A L H 3< S+ 0 0 14 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.695 100.7 67.5 -72.7 -20.9 47.6 74.0 55.4 12 36 A A H 3< S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.739 78.7 95.7 -74.4 -23.2 49.3 77.4 54.9 13 37 A K S << S- 0 0 64 -4,-0.7 8,-0.0 -3,-0.7 -3,-0.0 -0.518 89.1-110.0 -67.9 130.1 51.2 76.9 58.2 14 38 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.293 27.3-115.5 -57.6 148.0 54.7 75.5 57.6 15 39 A K T 3 S+ 0 0 127 1,-0.3 -2,-0.1 -4,-0.1 5,-0.1 0.748 117.0 51.5 -62.3 -21.7 54.9 71.9 58.9 16 40 A D T 3 S+ 0 0 143 3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.419 79.9 120.0 -94.6 0.0 57.5 73.0 61.4 17 41 A D X - 0 0 50 -3,-2.0 3,-1.9 1,-0.1 -4,-0.0 -0.476 68.1-133.6 -63.1 130.6 55.3 75.9 62.8 18 42 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.738 107.2 49.4 -62.4 -21.8 54.6 75.2 66.5 19 43 A T T 3 S+ 0 0 76 2,-0.1 2,-0.2 0, 0.0 -6,-0.1 0.366 84.2 122.7 -96.9 5.2 50.9 76.0 65.9 20 44 A R < - 0 0 33 -3,-1.9 2,-0.2 -6,-0.2 -9,-0.1 -0.471 49.3-152.8 -68.0 130.8 50.7 73.7 62.9 21 45 A K - 0 0 62 -11,-0.3 2,-0.5 -2,-0.2 128,-0.2 -0.587 27.1 -96.9 -96.8 163.0 48.0 71.0 63.3 22 46 A H E -a 149 0A 74 126,-3.0 128,-3.2 -2,-0.2 2,-0.5 -0.728 45.7-164.9 -74.4 125.5 48.0 67.6 61.7 23 47 A V E +a 150 0A 0 -2,-0.5 38,-3.0 36,-0.2 39,-1.0 -0.970 11.0 175.2-122.1 122.6 45.8 68.0 58.7 24 48 A C E -ab 151 62A 4 126,-2.6 128,-2.5 -2,-0.5 2,-0.3 -0.830 12.5-153.6-123.5 163.0 44.3 65.0 56.8 25 49 A V E -ab 152 63A 0 37,-2.0 39,-3.3 -2,-0.3 2,-0.4 -0.964 3.7-161.0-134.9 147.6 41.9 64.6 53.9 26 50 A Q E -ab 153 64A 0 126,-1.7 128,-2.7 -2,-0.3 2,-0.4 -0.985 14.4-153.3-125.5 145.5 39.5 61.9 52.7 27 51 A V E -ab 154 65A 2 37,-1.8 39,-2.1 -2,-0.4 40,-0.4 -0.968 8.2-135.1-128.0 131.8 38.2 61.7 49.2 28 52 A A >> - 0 0 9 126,-1.9 4,-1.8 -2,-0.4 3,-0.6 -0.472 22.3-123.4 -78.5 145.7 35.0 60.2 47.8 29 53 A P H 3> S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.869 111.9 59.5 -53.8 -39.6 35.0 58.0 44.6 30 54 A A H 3> S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.830 106.5 48.0 -61.4 -34.0 32.5 60.4 42.9 31 55 A V H <> S+ 0 0 0 -3,-0.6 4,-2.4 123,-0.2 -1,-0.2 0.917 107.4 55.7 -66.7 -45.9 35.1 63.2 43.4 32 56 A R H < S+ 0 0 27 -4,-1.8 4,-0.4 1,-0.2 14,-0.2 0.872 111.1 43.1 -60.0 -38.3 37.9 61.2 42.0 33 57 A V H < S+ 0 0 0 -4,-2.0 11,-2.4 1,-0.2 12,-0.3 0.830 119.9 41.7 -76.8 -30.4 36.1 60.4 38.7 34 58 A A H >< S+ 0 0 0 -4,-1.2 3,-1.6 -5,-0.2 4,-0.5 0.686 90.6 82.6 -92.1 -21.1 34.8 64.0 38.2 35 59 A I G >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 4,-0.3 0.835 82.1 65.5 -58.4 -32.4 37.8 66.1 39.2 36 60 A A G > >S+ 0 0 0 -4,-0.4 3,-1.7 1,-0.3 5,-1.6 0.834 91.6 65.5 -56.4 -33.0 39.4 65.6 35.7 37 61 A E G X 5S+ 0 0 23 -3,-1.6 3,-2.4 1,-0.3 -1,-0.3 0.788 84.9 70.4 -60.8 -28.0 36.5 67.6 34.3 38 62 A T G < 5S+ 0 0 17 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.680 101.3 47.9 -66.7 -13.8 37.6 70.7 36.2 39 63 A L G < 5S- 0 0 47 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.209 127.5-101.5-103.8 9.9 40.5 70.8 33.7 40 64 A G T < 5S+ 0 0 71 -3,-2.4 -3,-0.2 1,-0.3 2,-0.2 0.746 84.0 125.5 75.1 24.2 38.2 70.3 30.7 41 65 A L < - 0 0 73 -5,-1.6 -1,-0.3 -6,-0.1 3,-0.1 -0.569 66.2 -83.4-107.5 175.5 38.9 66.6 30.4 42 66 A A > - 0 0 62 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.408 56.8 -84.6 -74.5 150.4 36.8 63.5 30.4 43 67 A P T 3 S+ 0 0 19 0, 0.0 -9,-0.2 0, 0.0 -1,-0.1 -0.320 119.0 18.0 -51.8 134.2 35.6 61.8 33.6 44 68 A G T 3 S+ 0 0 31 -11,-2.4 -10,-0.1 -12,-0.2 -11,-0.1 0.539 84.0 126.5 77.9 8.7 38.3 59.5 34.9 45 69 A A < + 0 0 50 -3,-2.1 2,-0.4 -12,-0.3 -12,-0.1 0.680 68.5 56.3 -73.0 -17.0 41.0 61.2 32.7 46 70 A T S S- 0 0 2 -14,-0.2 -10,-0.2 -4,-0.2 153,-0.1 -0.919 90.9-122.0-112.8 144.9 43.1 61.6 35.9 47 71 A T > - 0 0 50 -2,-0.4 4,-1.8 151,-0.2 3,-0.3 -0.391 19.8-112.7 -85.4 158.7 44.0 58.7 38.1 48 72 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.906 118.5 49.8 -51.0 -43.9 43.3 58.1 41.8 49 73 A K H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 155,-1.7 0.776 103.9 57.1 -74.8 -27.0 47.0 58.4 42.6 50 74 A Q H > S+ 0 0 21 -3,-0.3 4,-2.7 153,-0.2 -1,-0.2 0.895 108.9 48.3 -62.4 -41.8 47.5 61.6 40.7 51 75 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.922 109.3 52.2 -64.0 -44.3 44.7 63.1 42.9 52 76 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 110.9 48.0 -57.4 -44.0 46.5 61.7 46.0 53 77 A E H X S+ 0 0 40 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 110.1 52.4 -59.8 -49.4 49.7 63.5 44.8 54 78 A G H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.894 110.1 48.0 -52.6 -45.9 47.8 66.7 44.2 55 79 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 3,-0.9 0.897 109.0 53.0 -65.0 -40.8 46.3 66.7 47.7 56 80 A R H ><5S+ 0 0 70 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.884 103.4 58.4 -61.1 -36.4 49.7 66.0 49.2 57 81 A R H 3<5S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.704 96.9 61.9 -68.0 -18.1 51.1 69.0 47.3 58 82 A L T <<5S- 0 0 6 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.588 127.9 -98.7 -79.9 -12.6 48.5 71.2 49.1 59 83 A G T < 5 + 0 0 12 -3,-1.6 -36,-0.2 -4,-0.4 -3,-0.2 0.513 66.5 157.7 109.6 8.0 50.1 70.2 52.4 60 84 A F < - 0 0 4 -5,-1.4 -1,-0.3 1,-0.1 -36,-0.2 -0.450 32.8-153.2 -66.2 133.2 47.9 67.4 53.7 61 85 A D S S+ 0 0 38 -38,-3.0 2,-0.4 1,-0.2 -37,-0.2 0.837 81.6 21.4 -76.5 -37.4 49.7 65.2 56.2 62 86 A E E -b 24 0A 31 -39,-1.0 -37,-2.0 145,-0.1 2,-0.5 -0.993 65.5-158.5-132.0 144.3 47.6 62.1 55.4 63 87 A V E -b 25 0A 0 -2,-0.4 144,-3.3 -39,-0.2 2,-0.3 -0.969 20.1-172.8-124.6 114.7 45.5 61.4 52.3 64 88 A F E -b 26 0A 1 -39,-3.3 -37,-1.8 -2,-0.5 2,-0.6 -0.751 25.0-127.9-111.7 152.5 42.7 58.8 52.8 65 89 A D E > -b 27 0A 27 142,-0.4 3,-2.3 151,-0.3 4,-0.5 -0.871 15.3-143.8 -93.9 121.9 40.2 57.0 50.6 66 90 A T T >> S+ 0 0 8 -39,-2.1 4,-2.1 -2,-0.6 3,-0.6 0.739 93.9 81.3 -58.4 -20.0 36.6 57.4 51.8 67 91 A L H 3> S+ 0 0 25 -40,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.766 83.4 61.6 -57.1 -23.6 36.1 53.8 50.7 68 92 A F H <> S+ 0 0 0 -3,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.929 104.5 46.7 -66.6 -44.6 37.7 52.7 54.0 69 93 A G H <> S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.5 -2,-0.2 0.888 108.3 56.6 -60.0 -40.6 34.9 54.5 55.8 70 94 A A H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.830 100.4 57.2 -63.0 -32.6 32.4 52.7 53.5 71 95 A D H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.908 107.5 49.4 -62.4 -41.4 33.9 49.3 54.5 72 96 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.907 110.7 49.2 -60.3 -43.4 33.0 50.4 58.1 73 97 A T H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.895 109.9 51.2 -65.7 -39.2 29.4 51.3 57.0 74 98 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.924 110.2 50.2 -62.0 -44.0 29.0 48.0 55.1 75 99 A M H X S+ 0 0 25 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.955 118.5 36.8 -57.9 -52.5 30.1 46.1 58.3 76 100 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 120.7 44.4 -71.1 -43.5 27.7 48.0 60.6 77 101 A E H X S+ 0 0 3 -4,-3.1 4,-2.5 -5,-0.2 -3,-0.2 0.853 111.6 52.3 -75.4 -34.0 24.7 48.3 58.2 78 102 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.909 114.6 44.6 -61.7 -42.1 25.0 44.7 57.0 79 103 A S H X S+ 0 0 28 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.901 111.6 52.2 -69.5 -40.5 24.9 43.6 60.6 80 104 A E H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.934 110.0 48.8 -61.7 -46.7 22.1 46.0 61.5 81 105 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.913 113.2 46.7 -56.9 -46.9 19.9 44.7 58.6 82 106 A L H X S+ 0 0 19 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.876 111.6 52.0 -66.3 -37.3 20.6 41.0 59.6 83 107 A H H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 110.4 47.3 -63.6 -46.2 19.8 41.9 63.3 84 108 A R H X S+ 0 0 7 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.870 113.3 49.7 -63.1 -37.4 16.5 43.5 62.4 85 109 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.925 110.6 49.2 -66.2 -45.8 15.7 40.5 60.2 86 110 A T H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.925 110.2 50.1 -59.5 -48.0 16.5 38.0 63.0 87 111 A E H < S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.8 47.6 -59.7 -39.8 14.4 39.9 65.6 88 112 A H H < S+ 0 0 53 -4,-1.6 3,-0.5 3,-0.2 -1,-0.2 0.814 109.7 52.6 -73.3 -30.7 11.5 39.9 63.2 89 113 A L H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.811 111.3 46.0 -72.7 -31.7 11.9 36.2 62.3 90 114 A E < 0 0 68 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.413 360.0 360.0 -89.5 3.3 11.8 35.3 66.0 91 115 A A 0 0 110 -3,-0.5 -3,-0.2 -5,-0.2 -2,-0.1 0.970 360.0 360.0 58.0 360.0 8.8 37.5 66.6 92 ! 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 93 121 A E 0 0 131 0, 0.0 26,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 70.0 14.2 48.9 65.3 94 122 A P - 0 0 35 0, 0.0 -10,-0.1 0, 0.0 -9,-0.1 -0.187 360.0 -78.3 -80.2 171.3 11.4 47.8 63.0 95 123 A L S S+ 0 0 3 -11,-0.1 192,-0.3 2,-0.1 2,-0.2 -0.866 94.6 62.2-108.0 152.6 11.3 46.8 59.3 96 124 A P S S- 0 0 5 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.518 76.8-153.1 -68.2 159.8 11.3 48.1 56.7 97 125 A M E -d 331 0B 0 233,-2.2 235,-2.6 -2,-0.2 2,-0.4 -0.872 4.4-155.2-104.9 138.1 14.8 49.6 57.1 98 126 A F E -de 332 120B 0 21,-2.0 23,-3.4 -2,-0.4 235,-0.2 -0.908 20.5-118.2-108.4 142.2 15.9 52.8 55.3 99 127 A T - 0 0 0 233,-2.2 235,-0.1 -2,-0.4 -1,-0.0 -0.236 17.8-156.4 -68.4 167.3 19.5 53.7 54.6 100 128 A S + 0 0 7 24,-0.1 25,-0.1 20,-0.1 -1,-0.1 0.197 59.6 101.7-135.8 16.5 21.0 56.8 56.2 101 129 A C + 0 0 26 23,-0.1 24,-0.1 233,-0.1 234,-0.1 0.768 64.1 78.1 -84.5 -24.7 23.9 58.0 54.1 102 130 A C > - 0 0 16 232,-0.4 4,-2.2 1,-0.1 3,-0.4 -0.765 61.6-160.8 -88.6 114.6 22.3 60.8 52.1 103 131 A P H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.730 91.6 62.6 -64.9 -22.4 21.9 64.0 54.3 104 132 A G H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.904 107.4 43.1 -65.7 -42.9 19.3 65.3 51.9 105 133 A W H > S+ 0 0 0 -3,-0.4 4,-3.1 229,-0.2 5,-0.2 0.938 112.1 52.9 -65.1 -48.6 17.1 62.3 52.8 106 134 A I H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.880 108.8 51.1 -57.3 -37.9 17.9 62.7 56.5 107 135 A A H X S+ 0 0 53 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.931 113.2 43.6 -65.0 -45.5 16.9 66.3 56.4 108 136 A M H X>S+ 0 0 22 -4,-1.8 4,-3.0 1,-0.2 5,-0.9 0.894 111.9 55.6 -66.3 -40.6 13.5 65.5 54.8 109 137 A L H X5S+ 0 0 0 -4,-3.1 4,-1.2 3,-0.2 7,-0.3 0.929 111.4 42.2 -52.7 -51.0 13.1 62.6 57.2 110 138 A E H <5S+ 0 0 3 -4,-2.1 298,-3.2 -5,-0.2 299,-0.2 0.872 124.1 35.1 -71.6 -36.7 13.5 64.8 60.2 111 139 A K H <5S+ 0 0 152 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.912 133.6 20.1 -83.7 -45.5 11.3 67.7 59.0 112 140 A S H <5S+ 0 0 68 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.670 132.3 31.0-104.6 -20.9 8.6 66.0 57.0 113 141 A Y ><< + 0 0 31 -4,-1.2 3,-2.4 -5,-0.9 4,-0.3 -0.284 59.4 149.8-135.4 51.1 8.5 62.3 58.2 114 142 A P G > S+ 0 0 45 0, 0.0 3,-1.0 0, 0.0 293,-0.1 0.727 71.9 66.0 -61.9 -18.7 9.5 62.3 61.8 115 143 A D G 3 S+ 0 0 119 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.644 94.9 58.6 -74.6 -15.2 7.3 59.2 62.4 116 144 A L G X> S+ 0 0 2 -3,-2.4 3,-1.5 -7,-0.3 4,-0.7 0.459 75.5 101.5 -91.3 -1.3 9.6 57.2 60.1 117 145 A I G X4 S+ 0 0 30 -3,-1.0 3,-1.4 -4,-0.3 -1,-0.2 0.875 74.7 56.0 -52.9 -45.5 12.7 57.9 62.3 118 146 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 104.2 55.9 -61.2 -22.3 12.6 54.4 64.0 119 147 A Y G <4 S+ 0 0 12 -3,-1.5 -21,-2.0 -26,-0.1 2,-0.3 0.638 87.9 97.6 -83.2 -16.5 12.8 52.7 60.6 120 148 A V B << S-e 98 0B 5 -3,-1.4 -21,-0.2 -4,-0.7 -20,-0.1 -0.546 85.5-103.3 -81.0 137.0 16.0 54.5 59.5 121 149 A S - 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0 0 12 -3,-1.6 3,-1.9 1,-0.2 -1,-0.4 -0.343 61.5 -33.2 76.9-166.7 23.1 59.6 42.8 341 381 A C G > S+ 0 0 69 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.789 131.6 65.9 -63.7 -30.1 26.3 61.1 44.1 342 382 A V G 3 S+ 0 0 5 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.770 108.4 44.2 -61.6 -22.6 28.1 61.1 40.7 343 383 A G G < S+ 0 0 21 -3,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 0.071 89.6 143.8-106.2 23.8 25.5 63.8 39.9 344 384 A G X - 0 0 1 -3,-2.2 3,-1.8 -5,-0.1 -187,-0.2 -0.103 64.2-107.1 -64.3 161.5 25.7 65.7 43.2 345 385 A G T 3 S+ 0 0 46 1,-0.3 -188,-0.2 -162,-0.0 -1,-0.1 0.617 116.0 58.3 -67.5 -15.8 25.4 69.5 43.5 346 386 A G T 3 S+ 0 0 1 -190,-2.3 -161,-2.0 -164,-0.1 -1,-0.3 0.361 87.1 105.2 -92.6 4.0 29.2 70.0 44.1 347 387 A Q S < S- 0 0 3 -3,-1.8 -316,-0.1 -191,-0.6 -4,-0.0 -0.420 82.8 -87.0 -84.0 158.3 30.1 68.3 40.8 348 388 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.266 43.5-116.6 -57.6 149.3 31.3 70.1 37.7 349 389 A R - 0 0 184 -3,-0.1 2,-0.3 -312,-0.1 -3,-0.0 -0.801 36.9-176.3 -93.1 131.4 28.6 71.4 35.3 350 390 A S - 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0 0 12 -3,-1.8 3,-2.1 1,-0.2 -1,-0.4 -0.272 61.7 -32.6 74.4-168.3 43.2 30.3 44.4 752 381 B C G > S+ 0 0 72 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.785 130.8 66.2 -60.1 -31.7 40.3 28.1 43.1 753 382 B V G 3 S+ 0 0 6 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.742 108.1 44.2 -61.8 -20.0 39.3 26.7 46.5 754 383 B G G < S+ 0 0 21 -3,-2.1 -1,-0.3 -4,-0.1 -4,-0.2 -0.000 88.7 145.4-109.7 27.7 38.3 30.3 47.3 755 384 B G X - 0 0 1 -3,-2.2 3,-1.8 -5,-0.1 -187,-0.2 -0.133 63.6-106.8 -65.9 161.1 36.5 31.0 44.0 756 385 B G T 3 S+ 0 0 25 1,-0.3 -188,-0.2 -514,-0.0 -1,-0.1 0.599 117.0 57.9 -67.3 -13.1 33.4 33.2 43.7 757 386 B G T 3 S+ 0 0 1 -190,-2.4 -161,-1.9 -516,-0.1 -1,-0.3 0.298 86.8 106.4 -96.9 8.3 31.1 30.2 43.1 758 387 B Q S < S- 0 0 0 -3,-1.8 -316,-0.1 -191,-0.5 -4,-0.0 -0.482 82.6 -87.8 -86.0 156.8 32.1 28.6 46.4 759 388 B P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -518,-0.2 -0.248 44.2-115.6 -55.7 149.1 29.9 28.4 49.5 760 389 B R - 0 0 40 -520,-2.3 2,-0.3 -524,-0.1 3,-0.0 -0.810 37.1-174.8 -93.2 130.5 30.2 31.4 51.9 761 390 B S - 0 0 50 -2,-0.5 5,-0.1 2,-0.2 -524,-0.1 -0.877 35.4-144.6-124.1 153.8 31.6 30.6 55.4 762 391 B T S S+ 0 0 116 -2,-0.3 2,-0.6 -525,-0.1 -1,-0.1 0.583 78.3 102.6 -85.2 -13.4 32.2 32.6 58.6 763 392 B D > - 0 0 50 1,-0.2 3,-1.6 2,-0.1 4,-0.2 -0.616 62.8-157.5 -73.1 114.1 35.4 30.5 59.1 764 393 B K T 3 S+ 0 0 132 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.722 94.3 50.1 -65.0 -20.3 38.3 32.8 58.1 765 394 B A T 3> S+ 0 0 34 1,-0.2 4,-2.0 2,-0.1 3,-0.4 0.130 72.5 116.7-102.7 18.6 40.4 29.7 57.5 766 395 B I H <> S+ 0 0 23 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.887 75.5 52.1 -56.3 -40.7 37.8 27.9 55.3 767 396 B T H > S+ 0 0 24 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.855 107.0 53.3 -66.9 -33.4 40.1 27.9 52.2 768 397 B Q H > S+ 0 0 118 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.912 110.9 46.9 -63.1 -42.8 42.9 26.3 54.3 769 398 B K H X S+ 0 0 103 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.884 111.8 50.7 -65.8 -40.9 40.5 23.6 55.3 770 399 B R H X S+ 0 0 5 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.908 111.3 48.1 -62.5 -44.4 39.4 23.1 51.7 771 400 B Q H >< S+ 0 0 105 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.942 111.2 50.2 -61.6 -47.7 43.0 22.8 50.5 772 401 B A H 3< S+ 0 0 63 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.790 112.8 47.2 -63.1 -29.0 43.9 20.3 53.2 773 402 B A H 3< S+ 0 0 29 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.457 83.3 95.6 -93.7 -1.0 40.9 18.2 52.3 774 403 B L S << S+ 0 0 15 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.884 97.7 15.3 -55.3 -41.5 41.6 18.2 48.6 775 404 B Y S S- 0 0 51 -4,-0.4 -1,-0.2 -3,-0.3 -142,-0.0 -0.990 82.4-112.7-137.7 144.7 43.4 14.9 48.8 776 405 B N > - 0 0 96 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.296 36.8-107.8 -67.1 158.8 43.8 12.1 51.4 777 406 B L H > S+ 0 0 134 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.829 119.7 59.5 -56.5 -31.9 47.1 11.6 53.1 778 407 B D H 4 S+ 0 0 113 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.938 111.4 35.9 -63.6 -50.1 47.4 8.4 51.0 779 408 B E H >4 S+ 0 0 53 1,-0.2 3,-0.9 -3,-0.2 -146,-0.6 0.799 111.5 64.4 -72.9 -29.7 47.2 10.2 47.6 780 409 B K H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.806 100.1 51.2 -61.5 -33.2 49.2 13.1 49.0 781 410 B S T 3< S+ 0 0 99 -4,-1.3 2,-0.6 -3,-0.3 -1,-0.2 0.575 98.8 77.3 -84.2 -11.7 52.3 11.0 49.6 782 411 B T S < S- 0 0 54 -3,-0.9 -149,-2.7 -4,-0.3 2,-0.5 -0.897 71.8-145.3-109.1 118.6 52.3 9.6 46.0 783 412 B L B -x 633 0J 50 -2,-0.6 2,-0.3 -151,-0.2 -149,-0.2 -0.729 15.3-159.0 -83.8 122.2 53.6 11.7 43.2 784 413 B R - 0 0 13 -151,-2.5 2,-0.5 -2,-0.5 -152,-0.1 -0.794 3.4-154.6 -95.5 143.7 51.7 11.2 39.8 785 414 B R > - 0 0 59 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.980 10.9-145.4-121.2 122.4 53.1 12.1 36.4 786 415 B S G > S+ 0 0 3 -2,-0.5 3,-1.9 1,-0.3 6,-0.2 0.850 96.7 60.2 -53.1 -40.8 50.7 12.9 33.6 787 416 B H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 5,-0.1 6,-0.0 0.667 99.7 58.2 -67.0 -14.0 52.9 11.4 30.9 788 417 B E G < S+ 0 0 84 -3,-1.9 -1,-0.3 4,-0.1 -2,-0.2 0.469 76.9 112.9 -91.3 -5.1 52.7 8.0 32.6 789 418 B N X> - 0 0 2 -3,-1.9 4,-2.8 -4,-0.3 3,-0.6 -0.604 61.8-148.8 -72.6 114.6 48.9 7.8 32.5 790 419 B P H 3> S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.825 97.7 54.4 -54.2 -35.6 48.0 5.0 30.1 791 420 B S H 3> S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.885 111.2 44.8 -65.8 -39.2 44.8 6.8 29.0 792 421 B I H <> S+ 0 0 0 -3,-0.6 4,-2.3 -6,-0.2 5,-0.2 0.921 112.0 51.9 -69.9 -46.6 46.9 9.9 28.1 793 422 B R H X S+ 0 0 126 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.936 111.5 47.6 -53.3 -49.7 49.5 7.8 26.3 794 423 B E H X S+ 0 0 98 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.915 108.9 53.9 -59.0 -46.0 46.8 6.1 24.3 795 424 B L H X>S+ 0 0 2 -4,-2.0 5,-2.5 1,-0.2 4,-1.3 0.915 115.6 39.0 -57.1 -45.4 45.1 9.4 23.4 796 425 B Y H <>S+ 0 0 9 -4,-2.3 5,-2.5 3,-0.2 -2,-0.2 0.941 117.6 49.3 -70.5 -45.9 48.4 10.8 22.0 797 426 B D H <5S+ 0 0 128 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.876 125.0 26.7 -60.4 -40.9 49.6 7.6 20.4 798 427 B T H <5S+ 0 0 80 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.507 138.8 5.0-105.6 -6.7 46.3 6.9 18.6 799 428 B Y T <5S+ 0 0 43 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.568 121.5 41.7-141.9 -58.1 44.7 10.3 18.1 800 429 B L T S- 0 0 152 -2,-0.6 3,-2.4 1,-0.1 6,-0.4 -0.812 81.3 -94.1-108.9 147.4 52.6 14.8 19.6 803 432 B P T 3 S+ 0 0 38 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.344 116.4 15.9 -51.0 137.9 52.2 17.5 22.3 804 433 B L T 3 S+ 0 0 57 1,-0.2 -3,-0.0 2,-0.0 -317,-0.0 0.394 101.4 132.1 72.9 -1.9 52.3 20.9 20.5 805 434 B G S <> S- 0 0 25 -3,-2.4 4,-2.9 1,-0.1 5,-0.2 -0.040 76.6 -87.5 -71.2-178.2 51.6 19.1 17.2 806 435 B H H > S+ 0 0 160 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.910 127.4 40.9 -60.5 -47.7 49.0 20.2 14.6 807 436 B K H > S+ 0 0 60 -7,-0.4 4,-2.4 2,-0.2 5,-0.3 0.912 116.8 49.2 -68.6 -43.8 46.1 18.2 16.1 808 437 B A H > S+ 0 0 0 -8,-0.6 4,-2.7 -6,-0.4 5,-0.4 0.906 113.0 48.6 -60.8 -41.5 47.1 19.0 19.7 809 438 B H H X S+ 0 0 101 -4,-2.9 4,-1.3 3,-0.2 -2,-0.2 0.913 111.1 50.4 -63.8 -43.1 47.3 22.7 18.7 810 439 B E H < S+ 0 0 102 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 124.7 25.4 -63.5 -43.3 43.9 22.6 17.0 811 440 B L H < S+ 0 0 13 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.810 132.5 31.1 -91.4 -34.7 42.1 21.0 19.9 812 441 B L H < S+ 0 0 2 -4,-2.7 -277,-2.5 -5,-0.3 2,-0.2 0.497 106.1 69.4-111.6 -8.3 44.0 21.9 23.0 813 442 B H B < +V 534 0H 11 -4,-1.3 -279,-0.2 -5,-0.4 2,-0.2 -0.698 52.6 177.0-114.9 169.0 45.6 25.3 22.2 814 443 B T - 0 0 16 -281,-2.6 2,-0.3 -2,-0.2 -2,-0.0 -0.759 17.5-126.4-151.8-172.2 44.1 28.8 21.8 815 444 B H - 0 0 94 -2,-0.2 2,-0.3 -281,-0.0 -283,-0.0 -0.868 18.8-120.2-143.7 174.5 44.9 32.5 21.1 816 445 B Y - 0 0 29 -2,-0.3 2,-0.5 -285,-0.1 -283,-0.0 -0.881 11.7-138.4-127.3 155.4 44.3 35.9 22.7 817 446 B V > - 0 0 50 -2,-0.3 3,-2.5 -289,-0.0 2,-0.1 -0.943 20.1-128.7-121.3 111.7 42.6 39.1 21.4 818 447 B A T 3 S+ 0 0 68 -2,-0.5 -296,-0.2 1,-0.3 -297,-0.1 -0.380 99.9 24.4 -59.3 126.9 44.0 42.5 22.2 819 448 B G T 3 S- 0 0 47 -298,-3.2 -1,-0.3 -299,-0.2 -297,-0.2 0.102 118.0-104.5 99.7 -21.0 41.3 44.6 23.7 820 449 B G < 0 0 25 -3,-2.5 -302,-0.1 -299,-0.2 -301,-0.0 -0.266 360.0 360.0 95.4 178.2 39.3 41.6 24.9 821 450 B V 0 0 121 -2,-0.1 -244,-0.0 -303,-0.0 -2,-0.0 -0.841 360.0 360.0-118.3 360.0 36.2 39.8 23.7