==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-SEP-04 1XG7 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.CHANG,M.ZHAO,P.HORANYI,H.XU,H.YANG,Z.-J.LIU,L.CHEN,W.ZHOU, . 484 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 72.1 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 . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 0 0 0 0 3 2 2 1 8 3 1 0 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 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 -2 A H 0 0 165 0, 0.0 2,-0.2 0, 0.0 189,-0.1 0.000 360.0 360.0 360.0 76.4 18.3 31.7 24.9 2 -1 A H - 0 0 160 187,-0.2 190,-0.1 1,-0.1 2,-0.0 -0.595 360.0-133.8 -83.9 145.9 16.8 34.8 23.1 3 0 A G - 0 0 34 -2,-0.2 2,-0.3 197,-0.0 -1,-0.1 -0.067 17.8-116.5 -82.8-164.2 14.4 34.4 20.2 4 1 A S > - 0 0 23 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.819 23.3-178.8-147.6 96.0 14.5 36.3 17.0 5 2 A R H > S+ 0 0 123 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.837 90.1 51.2 -59.6 -36.5 11.7 38.6 15.9 6 3 A E H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.876 109.1 47.8 -75.1 -40.3 13.5 39.4 12.7 7 4 A L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.925 113.2 50.3 -63.6 -42.5 14.1 35.8 11.6 8 5 A V H X S+ 0 0 19 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.951 111.8 48.7 -56.8 -46.5 10.4 35.0 12.4 9 6 A E H X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.901 114.0 42.6 -64.1 -44.1 9.3 38.0 10.3 10 7 A I H X S+ 0 0 22 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.899 115.0 49.6 -73.3 -38.8 11.4 37.3 7.2 11 8 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.902 112.0 49.3 -66.6 -38.7 10.6 33.5 7.3 12 9 A K H < S+ 0 0 135 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.892 108.8 53.5 -62.6 -41.5 6.9 34.4 7.7 13 10 A G H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.836 112.1 45.0 -60.0 -38.0 7.3 36.8 4.7 14 11 A I H X S- 0 0 3 -4,-2.1 4,-1.3 -5,-0.1 -2,-0.2 0.939 97.6-175.9 -69.5 -54.2 8.8 34.0 2.6 15 12 A G H X - 0 0 6 -4,-2.8 4,-1.8 2,-0.2 5,-0.2 0.134 47.1 -68.6 83.4 169.5 6.2 31.5 3.7 16 13 A I H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 134.5 61.4 -61.4 -34.3 5.8 27.8 3.0 17 14 A E H > S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 104.9 46.2 -62.5 -37.5 5.0 28.8 -0.6 18 15 A G H X S+ 0 0 2 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.850 110.8 51.8 -67.3 -40.6 8.5 30.4 -0.8 19 16 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.909 107.7 53.9 -63.3 -42.3 10.2 27.3 0.7 20 17 A K H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.893 107.0 51.1 -58.0 -42.6 8.4 25.2 -1.9 21 18 A E H X S+ 0 0 39 -4,-1.6 4,-2.1 -5,-0.2 5,-0.3 0.939 111.7 46.4 -60.5 -46.5 9.8 27.4 -4.7 22 19 A V H X>S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-2.2 0.936 112.9 50.5 -60.5 -46.3 13.3 27.0 -3.3 23 20 A E H <5S+ 0 0 0 -4,-2.9 7,-0.2 1,-0.2 -1,-0.2 0.862 119.9 34.7 -57.4 -39.8 12.9 23.2 -2.9 24 21 A E H <5S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.642 129.7 29.8 -97.1 -18.6 11.6 22.7 -6.4 25 22 A K H <5S+ 0 0 2 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.568 132.0 22.7-115.8 -16.4 13.6 25.2 -8.4 26 23 A V T <5S+ 0 0 14 -4,-2.2 2,-0.3 -5,-0.3 198,-0.2 0.687 91.0 94.0-118.9 -43.7 16.9 25.6 -6.5 27 24 A D >< - 0 0 25 -5,-2.2 4,-1.1 1,-0.2 3,-0.3 -0.427 56.7-158.4 -65.0 119.3 17.6 22.5 -4.4 28 25 A R H > S+ 0 0 77 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.742 87.7 62.2 -77.7 -20.3 19.7 20.2 -6.5 29 26 A Q H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 100.3 55.0 -70.7 -35.2 18.8 17.1 -4.6 30 27 A F H > S+ 0 0 3 -3,-0.3 4,-2.3 -7,-0.2 -2,-0.2 0.923 106.7 50.5 -59.9 -42.2 15.2 17.6 -5.6 31 28 A Y H X S+ 0 0 11 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.878 106.4 54.8 -68.4 -38.7 16.3 17.6 -9.3 32 29 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.899 109.9 47.8 -54.2 -43.2 18.3 14.4 -8.9 33 30 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.912 106.0 56.9 -68.0 -40.6 15.1 12.8 -7.5 34 31 A Q H X S+ 0 0 13 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.884 109.3 48.0 -56.6 -36.2 13.0 14.2 -10.5 35 32 A Y H >< S+ 0 0 14 -4,-1.7 3,-0.6 2,-0.2 4,-0.2 0.956 111.3 47.5 -70.3 -49.5 15.4 12.4 -12.8 36 33 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 40,-0.2 0.877 105.0 61.0 -61.5 -38.5 15.4 9.0 -11.0 37 34 A F H >< S+ 0 0 53 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.880 100.1 54.8 -56.8 -39.7 11.6 9.1 -10.8 38 35 A R T << S+ 0 0 66 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.504 115.4 40.8 -69.3 -4.0 11.5 9.1 -14.7 39 36 A H T < S+ 0 0 43 -3,-2.2 37,-2.8 -4,-0.2 38,-0.4 -0.079 110.0 56.3-136.4 34.4 13.7 5.9 -14.6 40 37 A Q S < S- 0 0 30 -3,-0.9 38,-0.1 35,-0.2 35,-0.1 -0.982 88.7 -88.2-163.7 150.6 12.3 3.8 -11.9 41 38 A D > - 0 0 87 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.554 42.8-124.9 -59.3 132.8 9.1 2.2 -10.6 42 39 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.881 108.4 45.5 -53.4 -46.9 7.2 4.7 -8.3 43 40 A E H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.925 116.4 44.4 -62.9 -48.2 7.0 2.5 -5.3 44 41 A M H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.893 110.1 57.9 -61.5 -41.6 10.7 1.4 -5.6 45 42 A F H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.935 108.2 44.8 -52.9 -53.3 11.7 5.0 -6.2 46 43 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.909 114.6 48.2 -59.9 -45.3 10.2 6.2 -2.9 47 44 A K H X S+ 0 0 16 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.840 109.5 52.2 -65.5 -38.5 11.6 3.3 -0.9 48 45 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.890 107.4 53.4 -62.5 -42.1 15.1 3.8 -2.4 49 46 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.914 110.8 47.0 -60.8 -42.3 15.0 7.5 -1.4 50 47 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.948 115.4 44.8 -59.9 -51.5 14.1 6.4 2.2 51 48 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.913 113.7 50.2 -61.3 -41.5 16.9 3.8 2.2 52 49 A N H >< S+ 0 0 0 -4,-3.3 3,-1.4 1,-0.2 4,-0.3 0.929 107.5 54.0 -64.1 -41.8 19.4 6.3 0.7 53 50 A S H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.858 99.7 61.8 -59.8 -39.1 18.6 9.0 3.2 54 51 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.691 111.5 37.8 -64.8 -17.0 19.3 6.7 6.1 55 52 A V T << S+ 0 0 0 -3,-1.4 2,-1.9 -4,-0.6 -1,-0.2 0.253 82.3 111.8-116.8 10.9 23.0 6.3 5.0 56 53 A S < + 0 0 20 -3,-1.2 2,-0.3 -4,-0.3 3,-0.1 -0.526 55.0 100.8 -86.0 67.9 23.6 9.8 3.8 57 54 A Y S S+ 0 0 35 -2,-1.9 46,-0.0 1,-0.1 -3,-0.0 -0.980 74.7 15.3-147.8 155.6 26.0 10.7 6.5 58 55 A Q S S- 0 0 109 -2,-0.3 40,-0.3 1,-0.1 -1,-0.1 0.922 85.8-173.6 41.6 55.9 29.8 11.0 6.8 59 56 A L - 0 0 43 2,-0.2 37,-0.3 -3,-0.1 -1,-0.1 -0.179 35.2-134.1 -70.3 163.1 30.1 11.0 3.0 60 57 A T S S+ 0 0 50 35,-2.6 2,-0.3 2,-0.1 36,-0.2 0.006 87.4 17.0-108.1 28.8 33.3 10.8 0.9 61 58 A G S S- 0 0 33 34,-0.6 2,-0.2 0, 0.0 -2,-0.2 -0.949 103.6 -45.6-172.9-173.8 32.0 13.6 -1.3 62 59 A R > - 0 0 117 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.490 46.0-127.2 -73.0 142.2 29.6 16.5 -1.8 63 60 A G H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 110.5 50.8 -52.6 -46.7 25.9 15.8 -0.9 64 61 A E H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 111.2 48.8 -61.4 -38.9 24.6 17.0 -4.2 65 62 A D H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 109.7 53.0 -65.9 -42.6 27.1 14.7 -6.0 66 63 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.923 108.3 48.3 -57.5 -47.9 26.1 11.8 -3.8 67 64 A W H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 113.6 48.0 -66.4 -36.7 22.3 12.2 -4.7 68 65 A W H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.895 110.1 52.5 -66.0 -38.8 23.2 12.5 -8.4 69 66 A E H X S+ 0 0 26 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.926 111.1 46.7 -61.9 -45.4 25.4 9.4 -8.0 70 67 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.922 111.4 51.8 -55.5 -46.4 22.4 7.5 -6.4 71 68 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.920 112.0 46.0 -64.5 -42.8 20.0 8.8 -9.2 72 69 A R H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.2 51.5 -64.8 -40.9 22.4 7.5 -11.9 73 70 A Y H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.883 116.5 36.7 -65.5 -42.5 23.0 4.1 -10.2 74 71 A F H >< S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.1 2,-0.3 0.550 87.9 111.7 -92.7 -6.8 19.3 3.2 -9.7 75 72 A S T 3< S- 0 0 26 -4,-1.2 -35,-0.2 1,-0.3 3,-0.1 -0.526 97.1 -0.7 -66.7 125.2 18.1 4.7 -13.0 76 73 A G T 3 S+ 0 0 74 -37,-2.8 2,-0.5 -2,-0.3 -1,-0.3 0.634 105.5 133.7 69.5 16.3 17.0 1.8 -15.2 77 74 A R < - 0 0 103 -3,-1.8 2,-0.5 -38,-0.4 -1,-0.2 -0.858 53.4-138.5-108.0 131.0 17.9 -0.7 -12.5 78 75 A E - 0 0 149 -2,-0.5 2,-0.5 -3,-0.1 -3,-0.0 -0.752 22.7-164.6 -83.0 125.7 15.8 -3.6 -11.3 79 76 A V + 0 0 23 -2,-0.5 3,-0.2 1,-0.2 -35,-0.0 -0.951 24.3 161.8-117.9 126.7 16.0 -3.9 -7.6 80 77 A D S S+ 0 0 160 -2,-0.5 2,-0.6 1,-0.4 -1,-0.2 0.699 78.6 24.0-100.0 -78.2 14.9 -7.0 -5.8 81 78 A S > - 0 0 37 1,-0.2 4,-2.3 2,-0.0 -1,-0.4 -0.775 64.0-159.4 -90.1 122.5 16.5 -6.6 -2.3 82 79 A I H > S+ 0 0 11 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.905 96.7 54.5 -62.2 -39.0 17.3 -3.0 -1.4 83 80 A W H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 108.9 46.4 -62.3 -42.0 19.8 -4.4 1.1 84 81 A K H > S+ 0 0 62 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.895 110.4 53.0 -69.5 -41.8 21.6 -6.5 -1.6 85 82 A A H >X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 3,-0.7 0.896 109.5 48.5 -59.8 -41.5 21.7 -3.5 -4.1 86 83 A Y H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.855 102.8 63.0 -69.2 -31.0 23.4 -1.2 -1.5 87 84 A G H 3< S+ 0 0 26 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.799 114.1 33.4 -57.5 -32.9 25.8 -4.0 -0.8 88 85 A E H < S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.2 0.905 107.3 49.6 -65.1 -48.1 28.2 1.6 -1.7 91 88 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.818 116.4 44.3 -61.3 -30.0 31.7 -0.1 -1.9 92 89 A K T 3< S+ 0 0 157 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.408 95.4 108.1 -92.9 2.9 32.0 0.9 -5.6 93 90 A S < - 0 0 3 -3,-1.5 -3,-0.0 -4,-0.5 -27,-0.0 -0.300 59.5-149.5 -76.0 160.2 30.7 4.5 -5.0 94 91 A K S S+ 0 0 126 2,-0.1 3,-0.3 -28,-0.1 -1,-0.1 0.860 94.3 38.1 -83.4 -46.6 32.7 7.7 -5.2 95 92 A N S S+ 0 0 3 1,-0.2 -35,-2.6 -30,-0.1 -34,-0.6 0.502 121.1 34.7 -97.8 -5.9 30.7 9.7 -2.7 96 93 A N + 0 0 0 -37,-0.3 -1,-0.2 -6,-0.2 -3,-0.2 -0.377 66.9 121.5-146.7 66.7 29.7 7.2 0.0 97 94 A R + 0 0 161 -3,-0.3 3,-0.3 -5,-0.1 2,-0.3 0.281 49.2 95.3-119.1 17.6 32.3 4.6 0.7 98 95 A R S S+ 0 0 113 -40,-0.3 5,-0.1 1,-0.2 -38,-0.1 -0.805 89.8 10.1-101.7 148.1 33.1 5.1 4.4 99 96 A L S > S+ 0 0 74 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 0.829 73.7 159.5 58.1 37.7 31.4 3.1 7.2 100 97 A I H > + 0 0 38 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.836 67.3 55.4 -61.7 -36.0 29.8 0.7 4.8 101 98 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.959 111.4 43.1 -62.4 -50.7 29.3 -2.0 7.4 102 99 A A H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.891 116.1 48.4 -61.8 -41.1 27.3 0.3 9.7 103 100 A K H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.876 109.5 50.9 -70.3 -38.8 25.3 1.8 6.8 104 101 A L H X S+ 0 0 32 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.876 107.9 55.2 -64.0 -38.8 24.4 -1.6 5.3 105 102 A N H X S+ 0 0 87 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.821 106.7 51.3 -58.4 -36.1 23.2 -2.6 8.8 106 103 A R H X S+ 0 0 51 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.906 108.9 48.1 -70.9 -41.0 21.0 0.4 8.8 107 104 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.862 108.4 56.6 -66.0 -37.1 19.4 -0.5 5.4 108 105 A R H X S+ 0 0 61 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.942 107.1 50.1 -57.2 -48.5 18.9 -4.1 6.6 109 106 A K H X S+ 0 0 81 -4,-1.9 4,-0.8 1,-0.2 3,-0.5 0.924 115.3 40.0 -56.5 -48.5 16.9 -2.7 9.5 110 107 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.770 99.5 76.3 -76.9 -25.4 14.6 -0.5 7.4 111 108 A E H X S+ 0 0 36 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.847 93.7 51.0 -55.1 -41.8 14.2 -3.1 4.6 112 109 A G H X S+ 0 0 43 -4,-0.9 4,-1.1 -3,-0.5 -1,-0.2 0.959 110.8 48.1 -58.0 -52.5 11.8 -5.1 6.7 113 110 A F H >< S+ 0 0 27 -4,-0.8 3,-1.1 1,-0.2 4,-0.5 0.949 113.5 47.5 -54.7 -49.9 9.7 -2.1 7.5 114 111 A L H >< S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.823 102.3 63.0 -65.5 -35.1 9.6 -1.1 3.8 115 112 A S H 3< S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.777 100.1 55.8 -57.4 -28.9 8.8 -4.7 2.6 116 113 A T T << S+ 0 0 99 -4,-1.1 2,-0.3 -3,-1.1 -1,-0.3 0.655 94.2 90.2 -75.9 -17.7 5.5 -4.3 4.5 117 114 A L < - 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0 0 12 -5,-2.3 4,-1.7 1,-0.1 187,-0.0 -0.237 55.2-152.4 -55.0 123.8 19.5 22.1 -19.5 269 25 B R H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.709 92.0 55.9 -76.5 -23.0 17.7 24.9 -17.6 270 26 B Q H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.880 106.6 51.2 -73.2 -37.9 14.7 25.1 -19.9 271 27 B F H > S+ 0 0 0 1,-0.2 4,-2.5 -7,-0.2 -2,-0.2 0.929 108.6 51.8 -64.0 -44.6 14.1 21.4 -19.4 272 28 B Y H X S+ 0 0 11 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.905 109.1 50.3 -52.3 -49.2 14.2 22.0 -15.6 273 29 B A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.920 111.6 48.0 -60.4 -40.6 11.7 24.9 -16.0 274 30 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.864 106.4 56.0 -71.6 -36.6 9.3 22.7 -18.0 275 31 B Q H X S+ 0 0 5 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.879 109.8 48.1 -60.7 -36.7 9.5 19.8 -15.5 276 32 B Y H >< S+ 0 0 15 -4,-1.7 3,-0.7 -5,-0.2 4,-0.3 0.968 112.8 46.1 -64.9 -55.0 8.4 22.3 -12.9 277 33 B L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 40,-0.3 0.870 105.0 62.5 -58.9 -37.1 5.5 23.6 -14.9 278 34 B F H >< S+ 0 0 58 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.858 99.5 54.0 -57.6 -37.8 4.4 20.1 -15.9 279 35 B R T << S+ 0 0 49 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.550 113.7 43.6 -74.2 -6.2 3.7 19.3 -12.2 280 36 B H T < S+ 0 0 39 -3,-1.9 37,-2.9 -4,-0.3 38,-0.3 -0.051 111.3 53.2-129.8 27.7 1.4 22.3 -12.0 281 37 B Q S < S- 0 0 33 -3,-1.1 38,-0.1 35,-0.2 35,-0.1 -0.962 86.0 -97.9-149.1 167.3 -0.6 22.1 -15.2 282 38 B D > - 0 0 83 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.676 43.8-113.8 -86.4 146.9 -2.7 19.6 -17.1 283 39 B P H > S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.865 110.7 46.6 -52.8 -45.6 -0.7 17.8 -19.9 284 40 B E H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.924 115.4 44.9 -67.1 -44.4 -2.5 19.2 -22.9 285 41 B M H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.859 109.9 58.6 -65.0 -38.0 -2.4 22.8 -21.7 286 42 B F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 108.7 42.5 -53.5 -56.4 1.2 22.3 -20.7 287 43 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.926 115.1 50.1 -59.4 -46.7 2.3 21.4 -24.3 288 44 B K H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.891 109.5 51.1 -60.8 -40.7 0.2 24.1 -25.9 289 45 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.865 108.7 52.4 -63.2 -37.6 1.6 26.7 -23.5 290 46 B V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.929 110.1 47.5 -68.3 -42.2 5.2 25.6 -24.4 291 47 B I H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.970 115.3 44.9 -60.7 -53.2 4.5 25.9 -28.2 292 48 B A H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.916 113.4 50.8 -58.5 -44.6 2.9 29.4 -27.8 293 49 B N H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.926 108.7 51.0 -59.7 -46.0 5.7 30.6 -25.4 294 50 B S H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.884 102.8 60.1 -59.7 -37.3 8.5 29.5 -27.7 295 51 B L H 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.656 110.5 41.0 -71.4 -16.6 6.9 31.3 -30.7 296 52 B V T << S+ 0 0 0 -3,-1.3 2,-1.4 -4,-0.7 -1,-0.3 0.192 84.7 108.7-110.5 15.2 7.2 34.7 -28.8 297 53 B S < + 0 0 19 -3,-1.5 2,-0.3 -4,-0.2 3,-0.1 -0.501 54.2 98.6 -93.2 64.5 10.7 33.9 -27.3 298 54 B Y S S+ 0 0 48 -2,-1.4 -3,-0.0 1,-0.2 0, 0.0 -0.959 76.6 17.9-144.7 156.7 12.7 36.4 -29.5 299 55 B Q S S- 0 0 119 -2,-0.3 -1,-0.2 1,-0.1 2,-0.0 0.923 86.0-176.1 42.0 58.9 14.0 39.9 -28.8 300 56 B L - 0 0 40 2,-0.2 37,-0.3 -3,-0.1 -1,-0.1 -0.236 36.7-133.1 -74.7 166.7 13.6 39.4 -25.1 301 57 B T S S+ 0 0 50 35,-2.3 2,-0.3 2,-0.1 36,-0.2 -0.185 88.1 15.1-113.4 40.1 14.2 41.9 -22.3 302 58 B G S S- 0 0 37 34,-0.5 -2,-0.2 35,-0.0 2,-0.1 -0.955 105.2 -44.5 179.2-171.6 16.3 39.4 -20.3 303 59 B R > - 0 0 118 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.441 47.8-124.3 -73.9 146.2 18.1 36.1 -20.4 304 60 B G H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.886 110.9 50.7 -55.5 -42.0 16.4 33.2 -22.2 305 61 B E H > S+ 0 0 46 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 109.5 49.6 -69.5 -34.3 16.6 31.0 -19.1 306 62 B D H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 108.9 54.4 -66.9 -40.8 15.2 33.6 -16.8 307 63 B W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.890 105.3 51.6 -57.1 -45.7 12.3 34.1 -19.3 308 64 B W H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 111.4 47.9 -66.4 -34.6 11.5 30.3 -19.2 309 65 B W H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.855 109.6 52.4 -68.1 -38.5 11.3 30.4 -15.4 310 66 B E H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.890 110.7 48.2 -64.1 -40.7 9.2 33.5 -15.5 311 67 B F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.901 111.6 49.6 -59.6 -50.4 6.8 31.7 -17.9 312 68 B A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.931 112.0 48.4 -56.6 -46.9 6.7 28.6 -15.6 313 69 B R H < S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.0 50.6 -60.1 -45.7 6.0 30.7 -12.6 314 70 B Y H < S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 117.3 37.5 -61.5 -41.0 3.2 32.6 -14.3 315 71 B F H >< S+ 0 0 0 -4,-2.0 3,-1.8 -5,-0.1 2,-0.2 0.540 82.9 121.2 -95.4 -3.9 1.4 29.5 -15.6 316 72 B S T 3< S- 0 0 30 -4,-1.4 -35,-0.2 1,-0.3 3,-0.1 -0.390 97.1 -11.3 -62.1 117.2 1.9 27.3 -12.5 317 73 B G T 3 S+ 0 0 68 -37,-2.9 2,-0.5 -40,-0.3 -1,-0.3 0.570 103.3 143.1 70.1 9.0 -1.5 26.3 -11.2 318 74 B R < - 0 0 57 -3,-1.8 2,-0.3 -38,-0.3 -1,-0.2 -0.706 50.5-134.4 -92.7 125.4 -3.2 28.9 -13.5 319 75 B E - 0 0 148 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.0 -0.563 23.0-159.8 -65.4 133.9 -6.5 28.3 -15.3 320 76 B V + 0 0 15 -2,-0.3 3,-0.2 1,-0.1 -5,-0.0 -0.972 23.5 168.8-122.5 115.0 -6.2 29.3 -18.9 321 77 B D S S+ 0 0 134 -2,-0.5 2,-0.4 1,-0.4 -1,-0.1 0.859 81.6 10.8 -86.7 -44.9 -9.3 30.1 -20.9 322 78 B S > - 0 0 28 1,-0.1 4,-2.2 2,-0.0 -1,-0.4 -0.999 62.0-152.9-131.6 128.4 -7.6 31.7 -23.9 323 79 B I H > S+ 0 0 13 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.888 101.9 53.5 -64.9 -35.7 -3.8 31.5 -24.4 324 80 B W H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 110.4 45.5 -64.4 -46.4 -4.0 34.7 -26.3 325 81 B K H > S+ 0 0 119 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.892 110.7 53.7 -60.3 -46.5 -5.9 36.5 -23.5 326 82 B A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.923 109.7 47.8 -57.3 -44.1 -3.5 35.1 -20.9 327 83 B Y H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.844 103.8 60.7 -68.2 -32.9 -0.5 36.5 -22.9 328 84 B G H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 114.0 37.6 -61.1 -33.5 -2.2 39.9 -23.2 329 85 B E H X S+ 0 0 81 -4,-1.3 4,-0.6 -3,-0.4 -2,-0.2 0.867 120.5 46.9 -76.3 -43.7 -2.1 40.0 -19.4 330 86 B F H >X S+ 0 0 5 -4,-2.4 3,-0.8 -5,-0.1 4,-0.8 0.944 105.7 51.2 -69.7 -55.5 1.3 38.3 -19.0 331 87 B L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 6,-0.2 0.902 104.5 54.1 -61.5 -46.3 3.7 40.1 -21.5 332 88 B P H 34 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.787 117.2 38.5 -60.2 -26.8 3.0 43.7 -20.6 333 89 B K H << S+ 0 0 176 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.424 95.2 116.0 -98.9 -1.8 3.8 43.0 -16.9 334 90 B S << - 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0 0 14 -3,-2.1 2,-0.2 -4,-0.2 -3,-0.0 -0.708 54.0-163.2-105.3 133.2 -5.6 19.6 -31.3 359 115 B T > - 0 0 70 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.499 44.2 -96.7 -91.9 174.4 -6.3 16.9 -28.7 360 116 B L H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.864 127.8 52.8 -58.6 -33.4 -3.6 15.4 -26.5 361 117 B K H > S+ 0 0 155 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 105.1 53.6 -72.7 -36.6 -3.5 12.5 -28.9 362 118 B D H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.874 108.2 50.6 -61.9 -39.9 -2.9 14.8 -31.9 363 119 B L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 3,-0.3 0.932 106.1 54.1 -62.7 -47.8 0.1 16.4 -30.0 364 120 B E H X S+ 0 0 23 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.834 106.9 53.8 -54.8 -35.7 1.5 12.9 -29.4 365 121 B G H X S+ 0 0 25 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.823 105.9 50.8 -67.0 -36.2 1.3 12.4 -33.2 366 122 B Y H < S+ 0 0 40 -4,-1.5 7,-0.4 -3,-0.3 -2,-0.2 0.829 106.3 56.1 -68.2 -31.3 3.2 15.6 -33.8 367 123 B Y H >< S+ 0 0 4 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.849 108.3 47.5 -64.1 -36.5 5.8 14.2 -31.4 368 124 B K H 3< S+ 0 0 117 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.679 124.4 33.2 -76.1 -18.6 6.1 11.1 -33.6 369 125 B N T >X + 0 0 87 -4,-0.9 3,-1.2 1,-0.1 4,-1.2 -0.522 68.0 163.2-134.9 66.3 6.4 13.4 -36.7 370 126 B M H <> S+ 0 0 7 -3,-0.5 4,-2.3 1,-0.3 5,-0.1 0.781 74.3 61.6 -65.8 -23.8 8.2 16.5 -35.7 371 127 B K H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.863 101.1 55.4 -67.5 -29.4 9.0 17.6 -39.3 372 128 B M H <> S+ 0 0 114 -3,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.887 108.4 47.6 -66.3 -38.7 5.2 17.8 -39.8 373 129 B L H X S+ 0 0 1 -4,-1.2 4,-3.1 -7,-0.4 5,-0.2 0.918 110.7 51.9 -65.8 -44.0 5.0 20.2 -36.8 374 130 B W H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.957 114.1 42.2 -53.6 -55.7 7.9 22.2 -38.2 375 131 B K H X S+ 0 0 119 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.953 113.5 53.4 -60.2 -50.6 6.3 22.6 -41.6 376 132 B A H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.906 111.4 45.3 -47.8 -51.0 2.9 23.2 -40.0 377 133 B L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.4 0.873 111.3 52.1 -67.0 -37.9 4.4 26.1 -37.9 378 134 B I H X>S+ 0 0 38 -4,-2.6 4,-2.3 -5,-0.2 5,-1.1 0.964 112.6 48.3 -58.7 -48.9 6.2 27.6 -40.9 379 135 B K H <5S+ 0 0 162 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.941 118.2 36.6 -53.6 -55.4 2.9 27.5 -42.7 380 136 B I H <5S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 124.8 39.6 -75.2 -31.2 0.7 29.1 -40.0 381 137 B M H <5S- 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.720 100.9-129.8 -92.2 -22.8 3.3 31.6 -38.8 382 138 B G T <5 + 0 0 68 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.932 56.2 144.9 75.1 49.5 4.7 32.5 -42.2 383 139 B S < - 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