==== 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 UNKNOWN FUNCTION 19-JAN-07 2OLT . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 642 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 88.6 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 . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 490 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 6 0 9 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 13 A S > 0 0 84 0, 0.0 3,-1.5 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0-159.9 9.7 19.3 5.9 2 14 A P T 3 + 0 0 42 0, 0.0 4,-0.4 0, 0.0 58,-0.0 0.655 360.0 60.0 -63.6 -23.8 6.7 17.2 7.2 3 15 A I T >> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.1 3,-0.6 0.697 82.5 85.4 -79.5 -16.7 8.7 16.3 10.2 4 16 A K H <> S+ 0 0 61 -3,-1.5 4,-2.5 1,-0.3 5,-0.2 0.883 87.8 47.9 -59.9 -45.6 9.0 20.0 11.4 5 17 A P H 3> S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.868 112.8 51.2 -62.0 -31.7 5.7 20.3 13.2 6 18 A L H <> S+ 0 0 2 -3,-0.6 4,-2.8 -4,-0.4 -2,-0.2 0.889 108.6 51.3 -68.9 -38.6 6.5 17.0 15.0 7 19 A Q H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.926 109.1 50.6 -63.2 -44.1 9.9 18.3 15.9 8 20 A E H X S+ 0 0 108 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.894 111.6 47.7 -60.5 -42.3 8.3 21.4 17.4 9 21 A H H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.937 111.1 50.9 -64.2 -45.3 5.9 19.3 19.4 10 22 A X H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.925 107.8 53.1 -58.2 -40.9 8.7 17.0 20.6 11 23 A D H X S+ 0 0 54 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.904 110.5 47.1 -61.4 -44.5 10.7 20.1 21.7 12 24 A K H X S+ 0 0 54 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.910 111.6 51.3 -61.1 -44.3 7.7 21.4 23.8 13 25 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 110.0 49.2 -61.3 -41.7 7.2 17.9 25.3 14 26 A Y H X S+ 0 0 53 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.905 110.1 51.0 -62.4 -46.4 10.9 17.8 26.3 15 27 A D H X S+ 0 0 77 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.904 110.4 50.8 -56.5 -42.2 10.7 21.2 27.9 16 28 A C H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.959 113.2 42.9 -64.4 -48.8 7.6 20.1 29.8 17 29 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.864 108.0 61.4 -63.3 -38.6 9.3 16.9 31.2 18 30 A S H >< S+ 0 0 31 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.792 90.0 68.4 -59.3 -32.4 12.5 18.9 31.9 19 31 A L T S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.3 0.809 85.8 60.1 -62.1 -28.6 10.2 18.1 36.6 21 33 A V H <> S+ 0 0 13 -3,-1.6 4,-2.7 -4,-0.3 -1,-0.2 0.984 110.4 35.6 -68.1 -56.9 13.8 18.6 37.8 22 34 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.851 115.5 60.3 -64.4 -26.8 13.4 22.1 39.3 23 35 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.976 111.2 37.8 -59.4 -55.4 9.9 21.1 40.3 24 36 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.878 111.6 59.0 -62.7 -40.1 11.3 18.4 42.5 25 37 A E H X S+ 0 0 100 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.914 107.1 48.9 -54.9 -40.6 14.2 20.5 43.6 26 38 A A H <>S+ 0 0 11 -4,-2.3 5,-1.9 1,-0.2 4,-0.3 0.925 109.2 50.5 -67.3 -44.0 11.7 23.0 45.0 27 39 A T H ><5S+ 0 0 2 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.893 108.9 54.8 -59.8 -37.4 9.7 20.3 46.9 28 40 A I H 3<5S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.0 47.4 -66.9 -36.2 12.9 19.1 48.4 29 41 A T T 3<5S- 0 0 109 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.384 118.1-112.5 -84.1 4.3 13.9 22.5 49.8 30 42 A G T < 5S+ 0 0 47 -3,-1.2 2,-1.3 -4,-0.3 3,-0.2 0.625 74.0 135.9 75.1 12.3 10.4 22.9 51.2 31 43 A N >< + 0 0 64 -5,-1.9 4,-1.6 1,-0.2 -1,-0.2 -0.676 18.2 164.2 -94.2 82.5 9.4 25.7 48.9 32 44 A W H > S+ 0 0 44 -2,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.758 71.3 60.0 -67.9 -29.0 5.9 24.5 48.0 33 45 A D H > S+ 0 0 132 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 108.6 44.7 -64.1 -44.8 4.8 27.8 46.7 34 46 A D H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.860 110.8 53.4 -64.6 -38.6 7.6 27.7 44.2 35 47 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.889 107.8 52.0 -63.2 -39.4 6.8 24.0 43.4 36 48 A V H X S+ 0 0 50 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.921 110.0 48.7 -61.9 -43.7 3.2 25.1 42.7 37 49 A Q H X S+ 0 0 119 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.913 110.9 49.8 -63.2 -40.3 4.4 27.8 40.4 38 50 A I H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.875 106.5 55.5 -67.7 -36.2 6.7 25.3 38.5 39 51 A R H X S+ 0 0 70 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.894 103.6 54.9 -61.6 -34.5 3.7 23.0 38.2 40 52 A K H X S+ 0 0 147 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.878 108.1 49.3 -62.9 -37.9 1.9 25.8 36.5 41 53 A Q H X S+ 0 0 79 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.901 110.7 49.9 -66.2 -43.5 4.8 26.0 34.0 42 54 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.946 111.9 48.2 -60.0 -44.9 4.6 22.3 33.5 43 55 A S H X S+ 0 0 30 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.842 110.2 52.3 -63.3 -38.0 0.8 22.6 32.9 44 56 A L H X S+ 0 0 89 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.931 108.6 48.8 -62.9 -49.9 1.4 25.5 30.4 45 57 A A H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.873 111.8 50.9 -58.7 -37.3 3.9 23.5 28.4 46 58 A E H X S+ 0 0 23 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.920 110.8 48.0 -67.1 -40.5 1.4 20.7 28.3 47 59 A K H X S+ 0 0 89 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.916 112.2 49.1 -64.0 -46.3 -1.3 23.0 27.1 48 60 A Q H X S+ 0 0 73 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.904 111.5 50.1 -61.5 -42.4 1.0 24.5 24.5 49 61 A G H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.920 108.5 52.0 -61.8 -43.6 1.9 20.9 23.3 50 62 A D H X S+ 0 0 65 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.857 107.7 52.7 -61.4 -36.3 -1.7 19.9 23.1 51 63 A S H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 110.3 46.7 -66.4 -44.4 -2.5 23.0 21.0 52 64 A L H X S+ 0 0 42 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.884 112.0 52.6 -60.5 -43.9 0.3 22.0 18.5 53 65 A K H X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.920 108.1 50.0 -56.9 -47.4 -1.0 18.5 18.6 54 66 A R H X S+ 0 0 164 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.914 110.0 50.4 -58.3 -45.5 -4.5 19.7 17.7 55 67 A E H X S+ 0 0 56 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.927 111.0 48.9 -63.2 -42.5 -3.2 21.8 14.8 56 68 A I H >X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.2 3,-1.2 0.939 110.3 51.2 -60.9 -45.8 -1.3 18.8 13.4 57 69 A R H 3< S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 112.7 45.2 -62.0 -33.4 -4.3 16.5 13.7 58 70 A L H 3< S+ 0 0 111 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.465 122.5 37.2 -90.5 -1.5 -6.5 18.9 11.8 59 71 A T H X< S+ 0 0 90 -3,-1.2 3,-3.8 -4,-0.6 4,-0.3 0.787 96.3 71.3-111.8 -53.3 -3.9 19.6 9.1 60 72 A L G >< S+ 0 0 15 -4,-2.8 3,-3.2 1,-0.3 -3,-0.1 0.859 94.3 62.1 -33.9 -57.0 -2.0 16.3 8.3 61 73 A P G 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.581 97.9 57.0 -47.6 -17.6 -5.3 15.0 6.6 62 74 A S G < S+ 0 0 104 -3,-3.8 -2,-0.2 0, 0.0 2,-0.1 0.336 83.1 123.6 -96.2 5.8 -5.0 17.9 4.1 63 75 A G < - 0 0 30 -3,-3.2 3,-0.1 -4,-0.3 7,-0.1 -0.405 40.1-172.0 -69.5 141.0 -1.5 16.7 3.1 64 76 A L + 0 0 96 1,-0.4 2,-0.2 -2,-0.1 -1,-0.1 0.585 63.4 7.3 -99.7-112.6 -0.8 15.9 -0.6 65 77 A F S S+ 0 0 128 2,-0.0 -1,-0.4 0, 0.0 0, 0.0 -0.526 79.5 170.2 -71.7 139.5 2.5 14.3 -1.8 66 78 A X - 0 0 67 -2,-0.2 4,-0.1 -3,-0.1 -3,-0.0 -0.954 41.5-139.0-158.7 138.3 4.5 13.4 1.3 67 79 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.493 89.4 41.8 -78.3 -6.9 7.6 11.3 2.1 68 80 A V S S- 0 0 31 146,-0.0 2,-0.3 145,-0.0 143,-0.0 -0.906 95.6 -90.2-133.8 162.4 6.2 9.7 5.2 69 81 A E > - 0 0 106 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.575 22.7-139.4 -76.5 132.9 2.8 8.1 6.2 70 82 A R H > S+ 0 0 86 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.892 106.2 54.9 -51.4 -43.9 0.2 10.5 7.7 71 83 A T H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 103.5 53.0 -65.3 -35.6 -0.6 7.6 10.0 72 84 A D H > S+ 0 0 2 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 109.0 50.4 -63.3 -41.1 3.0 7.2 11.2 73 85 A L H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.891 110.7 49.3 -65.1 -36.6 3.1 11.0 12.1 74 86 A L H X S+ 0 0 62 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.942 112.2 47.3 -66.2 -45.7 -0.2 10.7 14.0 75 87 A E H X S+ 0 0 92 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.856 111.7 51.2 -63.5 -37.5 1.1 7.6 16.0 76 88 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.938 108.9 50.7 -63.8 -48.8 4.3 9.5 16.7 77 89 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.896 106.5 55.8 -54.0 -44.1 2.4 12.5 17.9 78 90 A T H X S+ 0 0 65 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.922 110.2 44.1 -57.6 -42.2 0.4 10.3 20.2 79 91 A Q H X S+ 0 0 44 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.904 113.0 51.4 -73.4 -37.1 3.5 8.9 21.9 80 92 A Q H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-1.0 0.928 107.3 53.4 -60.5 -48.1 5.1 12.3 22.2 81 93 A D H 3X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.862 98.1 64.1 -55.3 -43.4 2.0 13.7 23.8 82 94 A K H 3X S+ 0 0 74 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.838 96.6 59.3 -52.5 -32.6 2.0 11.0 26.5 83 95 A I H S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 4,-1.1 0.934 113.0 43.8 -65.6 -45.1 3.1 15.4 44.2 95 107 A I H <5S+ 0 0 42 -4,-2.1 3,-0.3 3,-0.2 -1,-0.2 0.930 112.6 55.9 -62.0 -42.6 1.4 18.8 44.9 96 108 A G H <5S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.837 120.2 27.1 -59.6 -39.7 -1.7 16.9 45.9 97 109 A R H <5S- 0 0 100 -4,-2.0 -1,-0.2 -5,-0.1 3,-0.2 0.461 100.4-127.7 -99.2 -2.4 -0.1 14.8 48.5 98 110 A Q T <5 - 0 0 122 -4,-1.1 2,-0.4 -3,-0.3 -3,-0.2 0.960 40.1-158.1 46.1 52.8 2.7 17.4 49.3 99 111 A L < - 0 0 14 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.487 10.5-157.7 -70.8 119.2 4.8 14.3 48.7 100 112 A L - 0 0 74 -2,-0.4 -72,-0.1 -3,-0.2 -1,-0.1 -0.842 12.3-138.7-101.3 121.8 8.3 14.6 50.3 101 113 A I - 0 0 4 -2,-0.5 5,-0.1 -77,-0.1 85,-0.0 -0.691 39.0-107.6 -71.5 123.9 11.1 12.5 49.0 102 114 A P >> - 0 0 25 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.238 27.9-109.7 -52.9 146.9 12.9 11.4 52.2 103 115 A Q H >> S+ 0 0 147 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.821 115.3 52.7 -46.8 -48.9 16.3 13.0 52.9 104 116 A A H 34 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.1 67,-0.0 0.659 112.8 45.8 -66.0 -19.9 18.5 10.0 52.1 105 117 A L H <> S+ 0 0 4 -3,-2.0 4,-2.4 2,-0.1 -1,-0.3 0.527 87.9 90.3 -97.9 -9.1 16.8 9.5 48.8 106 118 A Q H S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.788 111.9 56.4 -64.3 -28.6 19.8 9.7 44.0 109 121 A F H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.919 108.4 46.2 -66.7 -45.1 16.1 10.5 43.2 110 122 A I H X S+ 0 0 28 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.911 111.7 51.8 -64.5 -40.9 17.1 13.7 41.3 111 123 A A H X S+ 0 0 46 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.898 112.7 45.8 -60.5 -42.2 19.9 11.8 39.5 112 124 A Y H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.927 112.3 50.5 -66.3 -45.8 17.5 9.1 38.4 113 125 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 110.4 49.7 -55.8 -49.7 14.9 11.7 37.4 114 126 A Q H X S+ 0 0 71 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.908 110.0 50.1 -59.2 -40.5 17.5 13.5 35.3 115 127 A R H X S+ 0 0 52 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.870 110.0 51.1 -68.2 -35.3 18.6 10.3 33.6 116 128 A C H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 3,-0.2 0.888 110.3 49.1 -65.2 -40.0 14.9 9.5 32.8 117 129 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.874 103.5 61.1 -64.4 -36.2 14.6 13.1 31.3 118 130 A D H X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.829 98.5 57.5 -60.6 -31.9 17.8 12.3 29.4 119 131 A A H X S+ 0 0 5 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.3 0.876 105.8 48.6 -62.8 -40.5 15.9 9.5 27.7 120 132 A V H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.873 108.2 55.4 -64.3 -40.1 13.3 12.1 26.6 121 133 A G H X S+ 0 0 14 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.851 103.9 53.5 -62.0 -36.4 16.3 14.2 25.3 122 134 A L H X S+ 0 0 12 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.915 108.0 50.5 -64.2 -41.9 17.4 11.2 23.2 123 135 A A H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.939 110.8 48.6 -60.2 -45.0 14.0 11.0 21.6 124 136 A Q H X S+ 0 0 43 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.887 111.6 51.5 -59.5 -40.3 14.2 14.8 20.9 125 137 A Q H X S+ 0 0 60 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.928 109.7 47.5 -66.5 -44.6 17.6 14.2 19.4 126 138 A V H X S+ 0 0 2 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.873 109.1 54.1 -66.3 -35.3 16.5 11.4 17.1 127 139 A I H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.855 113.0 44.0 -66.4 -35.3 13.5 13.3 15.8 128 140 A N H >< S+ 0 0 60 -4,-1.4 3,-1.0 -5,-0.2 4,-0.4 0.862 108.7 55.2 -76.0 -38.3 15.8 16.2 14.9 129 141 A E H >X S+ 0 0 65 -4,-2.2 3,-0.9 1,-0.2 4,-0.8 0.725 92.9 78.9 -65.6 -20.4 18.4 14.0 13.3 130 142 A L H 3X S+ 0 0 9 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.774 78.8 63.1 -62.1 -35.5 15.6 12.7 11.1 131 143 A D H <> S+ 0 0 70 -3,-1.0 4,-4.2 -4,-0.4 5,-0.3 0.861 96.5 62.4 -60.7 -28.9 15.5 15.6 8.7 132 144 A D H <> S+ 0 0 60 -3,-0.9 4,-2.7 -4,-0.4 -1,-0.2 0.946 108.7 40.7 -57.1 -47.3 19.1 14.6 7.8 133 145 A L H < S+ 0 0 27 -4,-0.8 5,-0.4 -3,-0.2 -2,-0.2 0.897 119.0 45.4 -66.6 -41.8 17.7 11.2 6.6 134 146 A L H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.943 118.4 42.9 -68.5 -45.6 14.7 12.8 4.9 135 147 A E H < S+ 0 0 87 -4,-4.2 2,-2.0 1,-0.2 -2,-0.2 0.938 109.9 53.7 -66.7 -55.8 16.8 15.6 3.3 136 148 A A S < S- 0 0 54 -4,-2.7 2,-4.1 -5,-0.3 -1,-0.2 -0.692 85.7-159.6 -77.7 84.9 19.7 13.4 2.1 137 149 A G 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0.868 107.4 51.5 -58.5 -39.8 19.0 2.3 29.9 158 170 A E H X S+ 0 0 123 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.926 112.9 45.0 -65.6 -45.3 21.9 0.8 31.7 159 171 A D H X S+ 0 0 59 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.909 115.3 47.2 -63.1 -45.0 22.4 4.0 33.7 160 172 A T H X S+ 0 0 16 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.919 110.2 52.9 -66.7 -40.6 18.7 4.3 34.5 161 173 A D H X S+ 0 0 58 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.939 111.5 45.8 -59.6 -44.9 18.4 0.7 35.5 162 174 A D H X S+ 0 0 71 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 114.1 47.9 -63.1 -43.9 21.3 1.0 37.9 163 175 A L H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.847 110.8 52.2 -66.8 -34.1 20.0 4.2 39.4 164 176 A Q H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.893 110.4 47.3 -68.0 -43.0 16.5 2.7 39.8 165 177 A I H X S+ 0 0 89 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.936 112.8 49.0 -62.5 -47.4 17.9 -0.4 41.6 166 178 A Q H X S+ 0 0 78 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 112.9 48.4 -58.1 -44.9 20.0 1.8 43.9 167 179 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 113.2 45.0 -66.5 -46.8 17.0 4.0 44.6 168 180 A R H X S+ 0 0 89 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.850 111.3 54.3 -65.9 -35.1 14.6 1.2 45.4 169 181 A R H X S+ 0 0 153 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.927 110.2 47.1 -62.3 -45.6 17.2 -0.5 47.5 170 182 A Q H X S+ 0 0 78 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.875 112.1 49.3 -64.3 -39.4 17.5 2.7 49.6 171 183 A L H >X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 3,-0.8 0.916 108.0 54.9 -64.9 -42.4 13.8 3.1 49.9 172 184 A F H >< S+ 0 0 142 -4,-2.4 3,-0.6 1,-0.3 4,-0.4 0.901 106.1 51.6 -59.2 -41.3 13.5 -0.6 51.0 173 185 A A H 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.765 114.8 44.3 -65.7 -24.3 16.0 0.0 53.8 174 186 A L H X< S+ 0 0 21 -4,-0.8 3,-2.1 -3,-0.8 4,-0.3 0.543 82.5 96.6 -99.0 -11.1 14.0 3.0 54.9 175 187 A E G X< S+ 0 0 62 -4,-1.1 3,-1.9 -3,-0.6 -1,-0.2 0.788 75.7 63.6 -50.1 -42.6 10.4 1.6 54.8 176 188 A S G 3 S+ 0 0 111 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.676 101.7 53.1 -56.9 -22.3 10.3 0.7 58.5 177 189 A E G < S+ 0 0 141 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.464 105.0 68.6 -91.4 -4.3 10.6 4.5 59.3 178 190 A L S < S- 0 0 51 -3,-1.9 3,-0.0 -4,-0.3 0, 0.0 -0.715 87.9 -96.3-121.6 164.6 7.7 5.5 57.1 179 191 A N > - 0 0 90 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.614 38.4-127.2 -73.1 136.9 4.0 5.4 56.8 180 192 A P H > S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.798 107.4 52.1 -60.5 -35.4 3.0 2.5 54.5 181 193 A V H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 110.2 49.4 -64.3 -45.0 0.8 4.6 52.2 182 194 A D H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 109.6 52.7 -58.9 -41.5 3.7 7.1 51.8 183 195 A V H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.951 108.8 49.0 -59.5 -48.0 6.1 4.2 51.0 184 196 A X H X S+ 0 0 126 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.890 110.6 50.9 -61.8 -39.8 3.7 2.9 48.3 185 197 A F H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.802 106.8 54.8 -69.0 -27.5 3.5 6.4 46.7 186 198 A L H X S+ 0 0 10 -4,-1.9 4,-2.3 -3,-0.2 -2,-0.2 0.934 109.9 45.7 -66.5 -48.2 7.3 6.7 46.7 187 199 A Y H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 112.7 51.8 -59.5 -39.3 7.5 3.4 44.7 188 200 A K H X S+ 0 0 84 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.916 107.9 51.3 -64.1 -41.1 4.7 4.7 42.5 189 201 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.931 109.9 49.2 -62.7 -43.5 6.6 8.0 41.9 190 202 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 113.0 48.3 -60.5 -43.4 9.8 6.1 40.9 191 203 A E H X S+ 0 0 96 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.930 110.7 50.0 -62.5 -48.0 7.7 4.0 38.6 192 204 A W H X S+ 0 0 39 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.896 110.6 49.6 -58.8 -42.2 6.0 7.0 37.0 193 205 A V H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.8 0.916 108.4 53.1 -64.1 -45.4 9.4 8.7 36.5 194 206 A G H >X S+ 0 0 9 -4,-2.3 4,-1.7 1,-0.2 3,-0.7 0.855 99.7 65.4 -51.6 -40.7 10.7 5.5 34.8 195 207 A G H 3X S+ 0 0 9 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.768 89.8 63.8 -54.1 -34.9 7.6 5.7 32.6 196 208 A L H X S+ 0 0 17 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.934 109.6 48.9 -60.4 -44.2 8.8 4.8 9.7 211 223 A L H >< S+ 0 0 30 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.850 105.8 58.5 -65.1 -31.0 12.3 4.1 8.4 212 224 A A H 3< S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.621 97.2 61.4 -74.5 -14.8 11.4 0.4 7.9 213 225 A R H << 0 0 139 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.763 360.0 360.0 -79.1 -26.1 8.6 1.3 5.5 214 226 A V << 0 0 100 -4,-0.7 -146,-0.0 -3,-0.6 -3,-0.0 -0.153 360.0 360.0 -70.7 360.0 11.0 3.0 3.0 215 !* 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 0.0 216 14 B P 0 0 85 0, 0.0 4,-0.3 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 -32.5 31.5 25.1 7.5 217 15 B I > + 0 0 2 1,-0.2 4,-2.1 2,-0.1 3,-0.5 0.641 360.0 87.2 -78.5 -17.4 32.1 23.1 4.4 218 16 B K H > S+ 0 0 78 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.888 86.3 47.8 -57.0 -49.9 28.4 23.3 3.3 219 17 B P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.839 112.5 51.6 -59.9 -32.2 28.7 26.6 1.4 220 18 B L H > S+ 0 0 2 -3,-0.5 4,-2.7 -4,-0.3 -2,-0.2 0.849 108.7 50.9 -70.3 -36.3 31.8 25.3 -0.4 221 19 B Q H X S+ 0 0 15 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.884 109.1 50.7 -65.6 -41.8 29.9 22.2 -1.4 222 20 B E H X S+ 0 0 65 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.931 112.3 47.2 -63.1 -43.4 27.1 24.3 -2.7 223 21 B H H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.937 111.0 50.6 -63.3 -46.9 29.6 26.4 -4.7 224 22 B X H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.931 108.3 54.2 -56.8 -42.5 31.4 23.2 -6.0 225 23 B D H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.926 110.1 46.0 -57.7 -44.8 28.0 21.8 -7.1 226 24 B K H X S+ 0 0 48 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 111.8 51.7 -64.4 -41.9 27.3 25.0 -9.1 227 25 B V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.895 109.9 49.0 -61.4 -44.2 30.8 24.9 -10.6 228 26 B Y H X S+ 0 0 53 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.911 110.1 51.2 -60.5 -46.9 30.3 21.2 -11.7 229 27 B D H X S+ 0 0 82 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.894 110.9 50.1 -57.8 -40.2 26.9 22.1 -13.2 230 28 B C H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.2 0.955 114.0 42.2 -64.1 -51.7 28.6 24.9 -15.1 231 29 B A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.3 0.845 107.7 61.8 -63.0 -37.8 31.4 22.8 -16.5 232 30 B S H >< S+ 0 0 31 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.764 90.0 68.8 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120.3-109.3 -94.1 12.7 25.3 19.1 -35.1 244 42 B G T < 5S+ 0 0 49 -3,-1.7 2,-1.5 1,-0.2 3,-0.2 0.639 73.0 141.9 71.1 17.4 25.6 22.6 -36.5 245 43 B N >< + 0 0 75 -5,-2.5 4,-2.5 -6,-0.2 5,-0.2 -0.521 11.3 158.3 -90.8 71.0 23.1 24.0 -34.0 246 44 B W H > S+ 0 0 38 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.830 71.3 56.3 -67.3 -31.8 24.8 27.4 -33.5 247 45 B D H > S+ 0 0 132 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 112.3 42.8 -64.8 -43.5 21.6 29.0 -32.2 248 46 B D H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.869 109.6 56.2 -69.3 -36.5 21.3 26.3 -29.5 249 47 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.902 107.2 51.2 -63.1 -35.7 25.0 26.4 -28.7 250 48 B V H X S+ 0 0 67 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.922 110.3 49.0 -65.2 -42.5 24.5 30.2 -28.0 251 49 B Q H X S+ 0 0 119 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.907 111.4 48.8 -63.3 -40.7 21.6 29.4 -25.8 252 50 B I H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.902 107.1 55.3 -67.5 -39.0 23.6 26.7 -23.9 253 51 B R H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.853 103.2 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135 C A H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.948 110.5 47.8 -58.8 -46.6 31.9 26.8 36.2 556 136 C Q H X S+ 0 0 38 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.897 111.5 52.1 -58.9 -42.7 29.7 23.7 35.4 557 137 C Q H X S+ 0 0 71 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.938 110.2 45.8 -60.8 -49.2 27.1 26.0 33.9 558 138 C V H X S+ 0 0 2 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.871 110.0 53.9 -66.9 -35.2 29.5 27.9 31.6 559 139 C I H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.856 114.1 43.2 -65.7 -34.7 31.2 24.6 30.4 560 140 C N H >< S+ 0 0 62 -4,-1.8 3,-1.1 -5,-0.2 4,-0.4 0.885 110.1 54.6 -76.4 -38.0 27.7 23.3 29.5 561 141 C E H >X S+ 0 0 62 -4,-2.5 4,-0.9 1,-0.2 3,-0.8 0.682 91.8 79.2 -67.5 -18.1 26.6 26.6 27.9 562 142 C L H 3X S+ 0 0 4 -4,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.780 78.9 65.0 -64.7 -31.8 29.7 26.4 25.7 563 143 C D H <> S+ 0 0 42 -3,-1.1 4,-4.3 -4,-0.3 5,-0.3 0.867 95.5 61.1 -55.6 -38.4 28.1 23.9 23.3 564 144 C D H <> S+ 0 0 83 -3,-0.8 4,-2.5 -4,-0.4 -1,-0.2 0.930 107.9 42.4 -54.8 -48.1 25.7 26.7 22.4 565 145 C L H < S+ 0 0 14 -4,-0.9 -286,-0.2 2,-0.2 -1,-0.2 0.873 118.8 44.4 -67.7 -38.7 28.7 28.8 21.2 566 146 C L H < S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.938 115.9 46.2 -70.6 -46.6 30.3 25.9 19.4 567 147 C E H < S- 0 0 108 -4,-4.3 -2,-0.2 -5,-0.2 -3,-0.2 0.924 139.4 -2.8 -62.0 -47.3 27.1 24.6 17.9 568 148 C A S < S+ 0 0 70 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.0 0.296 88.8 125.4-109.9-119.4 26.0 28.1 16.7 569 149 C G - 0 0 18 1,-0.1 -291,-0.3 -291,-0.1 2,-0.3 0.487 26.6-174.1 72.9 144.8 28.2 31.2 17.5 570 150 C F > - 0 0 129 -293,-0.1 3,-2.9 -292,-0.1 4,-0.5 -0.924 52.4 -55.5-169.1 146.6 29.7 33.9 15.4 571 151 C R T 3 S+ 0 0 67 -295,-1.5 -293,-0.1 -2,-0.3 -2,-0.0 0.017 129.2 27.8 -31.7 108.9 32.1 36.8 16.0 572 152 C G T >> S+ 0 0 44 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.236 97.4 79.3 126.7 -42.5 30.1 38.7 18.7 573 153 C R H <> S+ 0 0 52 -3,-2.9 4,-1.9 1,-0.3 -2,-0.1 0.844 91.1 62.9 -68.9 -27.6 28.1 36.0 20.5 574 154 C E H 3> S+ 0 0 18 -4,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.837 99.1 52.4 -59.4 -39.1 31.4 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27.5 36.1 37.3 585 165 C L H X S+ 0 0 30 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.896 107.2 56.1 -67.6 -41.7 31.0 35.6 38.9 586 166 C D H X S+ 0 0 89 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.887 107.9 49.8 -55.6 -42.7 31.0 39.2 40.3 587 167 C I H X S+ 0 0 85 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.929 113.9 43.3 -61.4 -49.2 27.7 38.4 42.1 588 168 C I H X S+ 0 0 21 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.930 114.1 51.6 -65.8 -43.7 29.0 35.1 43.6 589 169 C E H X S+ 0 0 62 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.871 106.6 53.4 -59.5 -41.9 32.4 36.8 44.5 590 170 C E H X S+ 0 0 69 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.946 113.4 43.2 -59.2 -49.3 30.7 39.6 46.3 591 171 C D H X S+ 0 0 61 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.910 114.9 48.2 -63.5 -45.4 28.7 37.2 48.5 592 172 C T H X S+ 0 0 16 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.904 110.5 52.6 -66.2 -37.6 31.6 34.9 49.1 593 173 C D H X S+ 0 0 62 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.918 111.4 46.5 -62.2 -43.3 33.8 37.9 50.1 594 174 C D H X S+ 0 0 100 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 114.5 46.8 -62.8 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