==== 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-AUG-05 2APL . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PG0816; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR C.CHANG,P.QUARTEY,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTE . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 78.5 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 . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 1 0 1 1 0 0 0 0 1 0 0 2 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 K > 0 0 100 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -26.5 39.4 55.6 -12.7 2 3 A S H > + 0 0 100 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.839 360.0 48.7 -78.0 -45.8 39.0 58.8 -10.7 3 4 A T H > S+ 0 0 76 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 110.3 52.8 -50.7 -47.6 35.9 57.1 -9.3 4 5 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 110.1 45.6 -64.4 -35.8 38.0 54.0 -8.7 5 6 A K H X S+ 0 0 153 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.895 116.0 46.8 -68.7 -42.8 40.6 56.0 -6.7 6 7 A K H X S+ 0 0 134 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.926 116.0 44.7 -65.4 -46.3 37.9 57.7 -4.7 7 8 A E H X S+ 0 0 1 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.866 111.0 53.1 -66.6 -40.6 36.0 54.5 -4.0 8 9 A L H X S+ 0 0 53 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.936 110.0 47.6 -61.5 -45.5 39.2 52.6 -3.2 9 10 A S H X S+ 0 0 70 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.863 110.9 53.3 -61.1 -35.2 40.1 55.3 -0.6 10 11 A H H X S+ 0 0 69 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.952 111.8 43.4 -65.7 -48.1 36.6 55.1 0.8 11 12 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.913 113.8 51.9 -66.9 -43.9 36.7 51.3 1.3 12 13 A R H X S+ 0 0 71 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.941 110.6 47.4 -55.2 -49.0 40.2 51.5 2.7 13 14 A L H X S+ 0 0 106 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.917 111.4 50.9 -58.5 -46.3 39.2 54.1 5.3 14 15 A K H X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.867 113.9 44.7 -58.3 -39.7 36.0 52.2 6.3 15 16 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.905 111.5 52.2 -77.4 -40.2 38.1 49.0 6.8 16 17 A E H X S+ 0 0 62 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.953 113.0 45.2 -58.2 -46.9 40.9 50.8 8.7 17 18 A T H X S+ 0 0 59 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.928 112.6 50.7 -60.7 -46.7 38.3 52.3 11.1 18 19 A Y H X S+ 0 0 43 -4,-2.0 4,-2.2 -5,-0.2 5,-0.4 0.910 114.2 43.8 -61.6 -46.4 36.5 49.0 11.6 19 20 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 8,-0.3 0.920 109.3 57.1 -65.2 -42.0 39.7 47.1 12.4 20 21 A N H < S+ 0 0 92 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.897 117.4 35.6 -54.9 -38.5 40.9 49.9 14.6 21 22 A E H < S+ 0 0 115 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.870 133.9 19.3 -83.6 -36.0 37.7 49.5 16.7 22 23 A H H < S+ 0 0 48 -4,-2.2 53,-0.5 -5,-0.2 52,-0.4 0.581 133.2 28.8-118.3 -23.0 37.1 45.8 16.6 23 24 A F >X + 0 0 11 -4,-2.4 3,-2.4 -5,-0.4 4,-1.1 -0.423 61.5 162.3-138.5 58.0 40.3 44.0 15.7 24 25 A P G >4 S+ 0 0 43 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.833 75.9 62.4 -54.7 -29.9 43.1 46.3 17.0 25 26 A E G 34 S+ 0 0 85 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.724 111.6 36.4 -65.6 -25.0 45.5 43.4 16.7 26 27 A X G X4 S+ 0 0 77 -3,-2.4 3,-2.4 -7,-0.2 -1,-0.2 0.494 90.8 97.4 -97.7 -8.7 44.9 43.3 12.9 27 28 A S T << S+ 0 0 34 -4,-1.1 -7,-0.2 -3,-0.6 -2,-0.1 0.570 83.2 48.3 -69.1 -11.5 44.6 47.0 12.4 28 29 A G T 3 S+ 0 0 71 -4,-0.3 2,-1.6 -3,-0.2 -1,-0.3 0.301 78.1 118.4-105.1 12.8 48.3 47.5 11.4 29 30 A N <> + 0 0 76 -3,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.566 36.9 177.9 -82.6 89.1 48.2 44.7 8.9 30 31 A N H > S+ 0 0 87 -2,-1.6 4,-3.0 1,-0.2 5,-0.4 0.932 76.1 57.0 -58.7 -45.1 48.9 46.5 5.6 31 32 A P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.913 112.4 41.7 -53.0 -41.1 48.9 43.3 3.5 32 33 A F H > S+ 0 0 55 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.947 115.2 48.7 -72.8 -47.9 45.4 42.5 4.6 33 34 A I H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.935 114.8 45.8 -55.9 -46.6 44.0 46.0 4.4 34 35 A T H X S+ 0 0 50 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.957 117.2 44.1 -58.7 -51.5 45.4 46.5 0.9 35 36 A A H X S+ 0 0 44 -4,-2.1 4,-2.0 -5,-0.4 -2,-0.2 0.912 116.4 44.6 -66.8 -43.4 44.2 43.2 -0.3 36 37 A R H X S+ 0 0 32 -4,-3.5 4,-2.1 2,-0.2 -1,-0.2 0.906 112.8 50.9 -69.5 -39.6 40.7 43.4 1.2 37 38 A S H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.896 109.9 51.5 -60.0 -43.9 40.2 47.0 0.1 38 39 A D H X S+ 0 0 78 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.894 109.1 51.1 -56.4 -46.3 41.2 45.9 -3.5 39 40 A E H X S+ 0 0 100 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.859 108.8 49.9 -58.6 -45.3 38.7 43.1 -3.3 40 41 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 109.6 52.4 -61.2 -45.2 35.9 45.5 -2.2 41 42 A L H X S+ 0 0 23 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.920 107.6 50.6 -53.6 -48.5 36.7 47.8 -5.1 42 43 A T H X S+ 0 0 79 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.876 110.3 50.6 -56.0 -43.3 36.5 44.9 -7.7 43 44 A A H X S+ 0 0 21 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 112.8 46.8 -61.3 -43.8 33.1 44.0 -6.2 44 45 A Y H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.960 114.1 45.5 -60.5 -53.5 32.0 47.7 -6.6 45 46 A C H X S+ 0 0 32 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.916 113.9 50.8 -61.8 -40.3 33.3 48.0 -10.2 46 47 A D H X S+ 0 0 81 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.933 109.8 49.5 -59.3 -49.1 31.8 44.6 -11.1 47 48 A A H >X>S+ 0 0 2 -4,-2.4 5,-2.4 2,-0.2 4,-0.7 0.951 111.3 48.2 -59.3 -51.4 28.4 45.6 -9.7 48 49 A V H ><5S+ 0 0 67 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.931 111.7 51.0 -51.0 -49.0 28.4 49.0 -11.6 49 50 A A H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.730 108.7 51.9 -58.9 -30.4 29.4 47.2 -14.8 50 51 A Q H <<5S- 0 0 136 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.494 128.1 -91.3 -92.5 -3.3 26.6 44.7 -14.4 51 52 A G T <<5S+ 0 0 65 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.409 77.7 137.2 114.1 0.5 23.9 47.3 -14.0 52 53 A F < - 0 0 90 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.0 -0.446 55.2-110.1 -76.1 154.0 23.6 47.9 -10.2 53 54 A S > - 0 0 49 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.304 31.2-101.7 -74.8 168.5 23.3 51.4 -8.9 54 55 A H H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 123.1 46.0 -53.4 -49.6 26.1 53.2 -7.0 55 56 A P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.881 113.8 49.0 -63.1 -40.0 24.5 52.7 -3.6 56 57 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 112.5 48.3 -62.0 -44.7 23.8 49.0 -4.4 57 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.906 112.8 47.7 -64.2 -42.8 27.4 48.5 -5.6 58 59 A E H X S+ 0 0 45 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.859 110.8 52.6 -64.4 -39.0 28.8 50.2 -2.4 59 60 A S H X S+ 0 0 72 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.946 113.1 41.7 -63.5 -51.6 26.5 48.2 -0.2 60 61 A X H X S+ 0 0 67 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.872 113.1 54.0 -69.9 -34.1 27.5 44.8 -1.6 61 62 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.849 106.8 53.2 -59.6 -38.4 31.2 46.0 -1.7 62 63 A S H X S+ 0 0 15 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.874 104.5 53.9 -64.9 -36.4 30.9 46.8 2.0 63 64 A E H X S+ 0 0 126 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.902 111.5 47.2 -63.6 -39.1 29.6 43.2 2.7 64 65 A V H >< S+ 0 0 49 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.916 109.1 53.9 -61.8 -48.1 32.8 42.0 0.8 65 66 A L H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 117.3 35.6 -52.0 -44.9 35.0 44.4 2.9 66 67 A Y H >< S+ 0 0 49 -4,-2.0 3,-2.4 -5,-0.1 -1,-0.2 0.445 82.9 137.6 -95.7 -5.0 33.6 43.0 6.2 67 68 A Q T << S+ 0 0 113 -4,-0.8 -3,-0.1 -3,-0.6 -4,-0.0 -0.183 79.4 3.5 -49.0 127.8 33.2 39.4 5.3 68 69 A G T 3 S+ 0 0 43 1,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.477 112.3 91.3 71.8 3.7 34.5 37.0 8.1 69 70 A L < + 0 0 11 -3,-2.4 -2,-0.2 1,-0.1 -1,-0.1 0.185 52.7 96.0-111.9 17.2 35.1 40.0 10.3 70 71 A H S S+ 0 0 90 -4,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.820 74.6 64.9 -75.0 -32.0 31.7 40.1 12.0 71 72 A F - 0 0 15 45,-0.3 2,-0.5 -3,-0.1 -1,-0.1 -0.844 69.5-168.7 -96.9 128.2 32.8 38.1 15.1 72 73 A S > - 0 0 6 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 -0.955 20.9-166.7-121.5 114.6 35.4 39.8 17.2 73 74 A R H > S+ 0 0 82 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.914 96.4 54.7 -57.8 -44.8 37.3 38.1 20.0 74 75 A Y H > S+ 0 0 34 -52,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.944 109.6 44.9 -53.8 -54.1 38.4 41.5 21.2 75 76 A D H > S+ 0 0 56 -53,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.840 111.3 54.3 -57.9 -39.6 34.8 42.8 21.4 76 77 A T H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.927 110.1 45.9 -64.2 -43.2 33.7 39.6 23.2 77 78 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.923 111.8 51.9 -65.1 -43.1 36.4 39.9 25.9 78 79 A V H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 112.3 46.2 -59.2 -46.5 35.6 43.7 26.4 79 80 A S H X S+ 0 0 26 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.915 111.2 50.4 -63.9 -46.6 31.9 42.8 26.8 80 81 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.5 0.947 113.8 46.9 -54.2 -50.2 32.5 39.9 29.2 81 82 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.866 116.4 43.5 -62.0 -39.5 34.8 42.3 31.3 82 83 A E H < S+ 0 0 101 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.865 121.5 38.4 -72.2 -39.4 32.2 45.1 31.3 83 84 A R H < S+ 0 0 167 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.846 130.8 23.6 -81.8 -32.9 29.2 42.9 32.0 84 85 A E H < S+ 0 0 87 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.606 128.1 36.6-112.4 -20.2 30.6 40.5 34.5 85 86 A F S X S+ 0 0 4 -4,-1.1 4,-3.0 -5,-0.5 -3,-0.1 0.063 70.5 123.3-127.6 26.5 33.6 42.1 36.1 86 87 A E T 4 S+ 0 0 122 -4,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.871 79.0 47.1 -60.7 -40.7 32.5 45.8 36.4 87 88 A Q T 4 S+ 0 0 183 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.874 122.2 33.6 -66.2 -42.0 33.0 45.8 40.2 88 89 A E T 4 S+ 0 0 105 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.696 133.2 25.6 -87.9 -24.2 36.5 44.2 40.1 89 90 A L S < S+ 0 0 16 -4,-3.0 -1,-0.2 -8,-0.2 -4,-0.1 -0.574 80.3 178.8-142.2 68.0 37.8 45.6 36.8 90 91 A P > - 0 0 61 0, 0.0 3,-1.9 0, 0.0 -3,-0.1 -0.367 39.0 -36.1 -76.2 160.8 36.1 48.9 36.0 91 92 A S T 3 S+ 0 0 90 1,-0.4 0, 0.0 2,-0.2 0, 0.0 -0.159 123.6 32.2 -45.9 139.5 36.8 51.1 33.0 92 93 A P T 3> S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 3,-0.5 -0.965 108.3 76.2 -86.7 11.0 39.2 51.7 31.5 93 94 A L H <> S+ 0 0 61 -3,-1.9 4,-3.0 1,-0.2 5,-0.3 0.797 87.2 59.0 -51.8 -42.3 40.4 48.1 32.4 94 95 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.959 109.7 43.9 -53.1 -48.5 38.3 46.2 29.9 95 96 A E H 4 S+ 0 0 99 -3,-0.5 -2,-0.2 1,-0.2 -17,-0.1 0.811 118.8 44.7 -64.5 -32.8 39.9 48.1 26.9 96 97 A R H < S+ 0 0 157 -4,-1.5 4,-0.5 1,-0.1 -1,-0.2 0.860 118.5 40.0 -80.5 -34.8 43.4 47.7 28.4 97 98 A L H X S+ 0 0 13 -4,-3.0 4,-2.8 -5,-0.2 3,-0.4 0.773 97.6 74.8 -82.6 -30.5 43.2 44.1 29.4 98 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.1 0.903 95.8 49.4 -55.3 -47.3 41.3 42.6 26.5 99 100 A P H > S+ 0 0 47 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.852 114.5 46.4 -60.4 -32.7 44.3 42.7 24.1 100 101 A I H >4 S+ 0 0 49 -4,-0.5 3,-0.8 -3,-0.4 -2,-0.2 0.896 111.2 50.0 -75.0 -44.1 46.5 41.0 26.7 101 102 A L H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 7,-0.3 0.859 101.6 64.3 -58.5 -37.7 43.9 38.4 27.5 102 103 A L H 3< S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 105.9 44.9 -57.8 -25.9 43.7 37.8 23.7 103 104 A K T << S+ 0 0 152 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.420 89.3 111.0 -93.9 0.7 47.3 36.6 23.9 104 105 A N <> - 0 0 32 -3,-1.9 4,-3.2 -4,-0.2 5,-0.2 -0.591 65.9-141.0 -82.6 132.2 46.7 34.5 27.0 105 106 A K H > S+ 0 0 158 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.903 102.1 52.8 -61.5 -40.0 47.0 30.7 26.4 106 107 A A H > S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.943 114.2 42.6 -57.1 -48.8 44.1 29.9 28.8 107 108 A I H >> S+ 0 0 0 -6,-0.2 4,-2.2 1,-0.2 3,-0.7 0.929 114.0 50.5 -64.9 -50.1 41.8 32.4 26.9 108 109 A Q H 3X S+ 0 0 53 -4,-3.2 4,-2.6 -7,-0.3 -1,-0.2 0.907 105.2 56.9 -51.5 -45.0 43.0 31.4 23.4 109 110 A S H 3< S+ 0 0 72 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.772 107.9 49.8 -62.2 -29.2 42.3 27.6 24.2 110 111 A V H X< S+ 0 0 6 -4,-0.9 3,-1.5 -3,-0.7 4,-0.3 0.957 111.9 44.3 -71.0 -55.4 38.7 28.6 25.0 111 112 A F H >< S+ 0 0 4 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.856 105.3 66.1 -56.5 -34.2 38.1 30.5 21.8 112 113 A A T 3< S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.669 88.8 65.3 -66.1 -18.7 39.8 27.8 19.7 113 114 A K T < S+ 0 0 139 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.595 96.9 71.7 -76.5 -14.1 37.1 25.2 20.6 114 115 A Y S < S- 0 0 47 -3,-1.9 2,-1.0 -4,-0.3 6,-0.0 -0.759 79.6-128.0-110.7 151.4 34.5 27.3 18.6 115 116 A D - 0 0 127 -2,-0.3 2,-2.3 1,-0.1 -3,-0.1 -0.822 27.4-157.1 -92.5 95.2 33.9 27.9 14.9 116 117 A L + 0 0 48 -2,-1.0 -45,-0.3 -5,-0.1 -43,-0.1 -0.305 27.1 163.9 -80.8 61.8 33.8 31.8 15.0 117 118 A T > - 0 0 46 -2,-2.3 3,-2.1 1,-0.1 4,-0.3 -0.141 55.4 -95.3 -70.3 169.6 31.8 32.4 11.9 118 119 A D T 3 S+ 0 0 43 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.834 127.7 44.9 -55.1 -33.6 30.0 35.7 11.0 119 120 A D T >> S+ 0 0 109 1,-0.2 4,-0.9 2,-0.1 3,-0.5 0.236 82.5 108.4 -95.5 11.9 26.7 34.4 12.4 120 121 A F G X4 S+ 0 0 3 -3,-2.1 3,-0.9 1,-0.2 6,-0.5 0.876 70.4 58.4 -59.0 -42.8 28.4 33.0 15.6 121 122 A E G 34 S+ 0 0 115 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.838 107.1 47.6 -63.3 -32.3 27.0 35.5 18.0 122 123 A A G <4 S+ 0 0 94 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.677 96.5 108.3 -69.9 -24.6 23.4 34.6 17.0 123 124 A S S X< S- 0 0 20 -4,-0.9 3,-1.0 -3,-0.9 4,-0.5 -0.124 81.2-124.3 -45.5 142.6 24.5 30.9 17.4 124 125 A P T >> S+ 0 0 94 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.896 112.8 63.9 -51.5 -36.0 23.3 28.7 20.4 125 126 A E H 3> S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.688 81.0 78.6 -73.0 -13.3 27.0 28.2 21.0 126 127 A Y H <> S+ 0 0 14 -3,-1.0 4,-2.8 -6,-0.5 -1,-0.2 0.911 91.4 51.9 -52.4 -47.8 27.6 31.9 21.8 127 128 A E H <> S+ 0 0 106 -3,-1.0 4,-2.3 -4,-0.5 5,-0.2 0.897 108.6 52.5 -63.0 -36.9 26.2 31.6 25.3 128 129 A H H X S+ 0 0 119 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.919 110.4 46.8 -60.1 -50.7 28.5 28.6 25.9 129 130 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.954 112.8 49.6 -52.6 -54.3 31.6 30.7 24.8 130 131 A Y H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.860 113.2 45.1 -57.6 -43.9 30.6 33.7 27.0 131 132 A T H X S+ 0 0 98 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.888 113.1 51.4 -66.5 -39.3 30.0 31.6 30.1 132 133 A E H X S+ 0 0 55 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.924 110.7 47.6 -69.2 -42.8 33.3 29.7 29.5 133 134 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.902 110.5 52.3 -59.9 -42.7 35.2 33.0 29.1 134 135 A T H X S+ 0 0 27 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.950 110.4 48.8 -57.1 -49.1 33.6 34.4 32.3 135 136 A G H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.848 109.4 52.0 -60.0 -40.0 34.7 31.2 34.2 136 137 A T H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.915 109.7 48.1 -62.1 -48.9 38.2 31.4 32.9 137 138 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.922 108.9 54.4 -61.6 -41.9 38.6 35.1 34.0 138 139 A V H X S+ 0 0 51 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.924 111.1 46.5 -52.1 -43.0 37.2 34.1 37.4 139 140 A L H X S+ 0 0 108 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.895 109.4 53.4 -70.8 -41.0 39.9 31.5 37.6 140 141 A L H <>S+ 0 0 14 -4,-2.6 5,-2.8 2,-0.2 6,-0.7 0.925 114.3 42.6 -57.8 -46.6 42.6 33.9 36.4 141 142 A I H ><5S+ 0 0 59 -4,-2.8 3,-1.3 3,-0.2 -2,-0.2 0.935 115.1 48.2 -63.7 -49.4 41.6 36.3 39.2 142 143 A E H 3<5S+ 0 0 147 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.842 113.9 47.1 -64.4 -33.1 41.2 33.7 41.9 143 144 A S T 3<5S- 0 0 62 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.460 110.7-122.6 -86.9 2.0 44.6 32.1 41.1 144 145 A N T < 5S+ 0 0 148 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.837 79.5 120.0 55.7 41.8 46.3 35.5 41.0 145 146 A H < + 0 0 137 -5,-2.8 -4,-0.2 -6,-0.2 -5,-0.1 0.133 28.0 135.4-120.4 16.1 47.4 34.8 37.4 146 147 A L - 0 0 37 -6,-0.7 -9,-0.0 -5,-0.2 -45,-0.0 -0.486 62.6-112.8 -68.6 129.7 45.6 37.7 35.7 147 148 A P - 0 0 31 0, 0.0 2,-0.1 0, 0.0 -46,-0.1 -0.328 44.2-144.2 -61.6 149.7 48.0 39.5 33.2 148 149 A T 0 0 126 -48,-0.1 -3,-0.0 1,-0.1 -48,-0.0 -0.464 360.0 360.0-118.4-176.1 48.9 43.0 34.4 149 150 A I 0 0 131 -2,-0.1 -1,-0.1 0, 0.0 -52,-0.1 -0.274 360.0 360.0 61.9 360.0 49.7 46.6 33.5