==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 27-SEP-06 2II2 . COMPND 2 MOLECULE: ALPHA-11 GIARDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR P.PATHURI,E.T.NGUYEN,H.LUECKE . 304 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 72.0 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 0 5 2 3 1 1 1 1 5 0 0 0 0 0 0 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 Y > 0 0 67 0, 0.0 4,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.6 44.6 36.7 17.8 2 3 A G T 4 + 0 0 54 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.826 360.0 33.6 -57.9 -39.5 44.6 40.1 19.5 3 4 A D T > S+ 0 0 147 2,-0.1 4,-1.6 1,-0.1 -1,-0.2 0.803 114.8 59.2 -82.5 -33.7 42.2 41.6 17.0 4 5 A A H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.823 96.1 62.3 -67.8 -30.2 40.2 38.5 16.5 5 6 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.967 109.5 37.6 -62.8 -55.9 39.3 38.1 20.2 6 7 A P H > S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.860 114.5 59.7 -62.3 -32.9 37.3 41.3 20.5 7 8 A E H X S+ 0 0 63 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.955 111.1 37.6 -57.8 -52.0 36.0 40.7 17.0 8 9 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.837 111.0 59.4 -74.2 -29.2 34.4 37.4 17.9 9 10 A K H X S+ 0 0 62 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.941 109.3 45.9 -61.0 -42.2 33.2 38.5 21.3 10 11 A A H X S+ 0 0 54 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.880 110.0 52.9 -67.3 -40.7 31.2 41.2 19.5 11 12 A I H <>S+ 0 0 6 -4,-1.8 5,-2.5 2,-0.2 4,-0.3 0.929 112.9 45.5 -56.8 -45.9 29.8 38.7 16.9 12 13 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.927 109.9 52.6 -67.1 -42.8 28.7 36.5 19.8 13 14 A E H 3<5S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 111.5 47.9 -62.8 -28.5 27.2 39.4 21.8 14 15 A A T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.479 107.4-129.0 -85.5 -5.0 25.2 40.4 18.6 15 16 A K T < 5 + 0 0 99 -3,-1.6 2,-1.6 -4,-0.3 -3,-0.2 0.842 45.7 169.2 55.1 38.2 24.1 36.8 18.1 16 17 A N >< + 0 0 53 -5,-2.5 4,-1.9 1,-0.2 -1,-0.2 -0.598 11.2 172.4 -87.5 87.0 25.3 37.2 14.6 17 18 A E H > S+ 0 0 26 -2,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.802 75.2 56.0 -65.3 -34.6 25.2 33.6 13.4 18 19 A E H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.955 111.3 42.3 -62.1 -50.7 26.0 34.6 9.8 19 20 A E H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.792 106.6 62.7 -69.3 -28.0 29.2 36.4 10.8 20 21 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.887 102.1 52.6 -63.1 -36.4 30.1 33.6 13.2 21 22 A V H X S+ 0 0 12 -4,-1.4 4,-1.6 -3,-0.3 -2,-0.2 0.955 111.9 43.0 -61.4 -50.9 30.3 31.2 10.2 22 23 A T H < S+ 0 0 80 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.887 114.0 52.1 -66.3 -38.1 32.6 33.4 8.2 23 24 A F H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.2 0.934 108.5 50.9 -58.2 -46.4 34.8 34.2 11.3 24 25 A T H >< S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.839 97.4 69.1 -62.8 -32.0 35.1 30.5 12.0 25 26 A S T 3< S+ 0 0 73 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.664 87.0 69.3 -61.9 -16.9 36.2 29.8 8.5 26 27 A R T < S+ 0 0 113 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.3 0.682 87.8 77.4 -76.2 -17.6 39.5 31.6 9.0 27 28 A W < - 0 0 41 -3,-1.5 2,-0.0 -4,-0.2 -1,-0.0 -0.797 63.0-141.5-116.5 136.4 41.1 29.1 11.4 28 29 A S > - 0 0 54 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.268 43.1-100.1 -70.8 169.2 42.9 25.8 11.3 29 30 A A H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.937 127.1 49.6 -56.6 -43.6 42.3 23.2 14.1 30 31 A E H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 112.3 47.9 -63.3 -43.3 45.6 24.2 15.8 31 32 A E H > S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.855 106.1 56.8 -66.4 -37.3 44.6 27.9 15.5 32 33 A R H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.918 108.7 47.9 -61.3 -39.5 41.1 27.3 16.9 33 34 A K H X S+ 0 0 125 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 113.9 45.9 -66.1 -47.4 42.7 25.8 20.0 34 35 A E H X S+ 0 0 84 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.906 111.4 52.9 -60.0 -42.4 45.1 28.7 20.4 35 36 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.925 107.9 50.2 -62.6 -44.4 42.4 31.2 19.9 36 37 A R H X S+ 0 0 35 -4,-2.4 4,-2.1 -5,-0.2 11,-0.3 0.916 110.7 50.8 -61.2 -39.9 40.2 29.7 22.6 37 38 A T H X S+ 0 0 94 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.957 114.6 41.6 -61.8 -47.3 43.1 29.8 25.0 38 39 A Q H X S+ 0 0 84 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.862 109.8 59.6 -69.0 -36.8 43.9 33.4 24.4 39 40 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 6,-0.5 0.935 109.8 42.8 -56.7 -44.5 40.2 34.3 24.3 40 41 A Q H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 113.0 51.7 -72.3 -40.5 39.8 33.0 27.9 41 42 A D H < S+ 0 0 141 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.916 118.9 37.7 -58.0 -43.5 43.1 34.6 29.1 42 43 A T H < S+ 0 0 91 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.908 129.4 27.1 -76.6 -44.3 42.0 38.0 27.7 43 44 A T H < S- 0 0 38 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.625 92.0-125.9 -99.1 -19.2 38.3 38.0 28.5 44 45 A G S < S+ 0 0 63 -4,-2.2 2,-0.5 -5,-0.3 -4,-0.2 0.445 75.2 114.9 83.1 0.4 37.9 35.8 31.5 45 46 A L S S- 0 0 59 -6,-0.5 2,-0.4 -5,-0.0 -1,-0.2 -0.892 70.6-125.7-110.4 129.2 35.3 33.7 29.6 46 47 A E > - 0 0 71 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.609 28.3-135.7 -66.1 127.5 35.6 30.1 28.5 47 48 A F H > S+ 0 0 1 -2,-0.4 4,-2.7 -11,-0.3 5,-0.1 0.867 93.7 45.7 -62.4 -47.0 35.0 30.3 24.8 48 49 A I H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 114.6 47.3 -67.9 -43.9 32.6 27.3 24.2 49 50 A A H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 113.3 49.6 -63.6 -38.4 30.4 28.0 27.1 50 51 A F H X S+ 0 0 24 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.923 109.0 52.0 -66.1 -43.6 30.2 31.7 26.1 51 52 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.940 112.0 46.8 -54.4 -46.1 29.3 30.7 22.5 52 53 A K H < S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 109.8 53.7 -67.2 -33.7 26.5 28.5 23.9 53 54 A K H < S+ 0 0 173 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.821 117.1 37.5 -66.8 -32.7 25.4 31.3 26.2 54 55 A C H < S+ 0 0 10 -4,-1.8 2,-0.5 -3,-0.3 -2,-0.2 0.814 108.9 64.9 -87.8 -37.9 25.1 33.7 23.3 55 56 A I S < S- 0 0 2 -4,-2.6 3,-0.1 -5,-0.2 -1,-0.1 -0.815 89.6-114.3 -98.5 125.3 23.8 31.4 20.5 56 57 A K - 0 0 133 -2,-0.5 5,-0.4 1,-0.1 4,-0.1 -0.230 42.9 -94.1 -63.9 145.3 20.3 29.9 21.0 57 58 A N S S+ 0 0 121 4,-0.1 -1,-0.1 3,-0.1 3,-0.1 -0.155 77.1 78.7 -68.1 149.5 20.3 26.1 21.4 58 59 A G S > S- 0 0 10 1,-0.1 4,-2.5 -3,-0.1 5,-0.1 -0.922 94.6 -43.3 145.5-170.9 19.8 23.8 18.5 59 60 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 130.1 54.8 -65.7 -33.2 21.7 22.2 15.6 60 61 A Y H > S+ 0 0 1 229,-1.7 4,-1.9 2,-0.2 5,-0.2 0.957 112.4 44.2 -62.1 -48.1 23.5 25.5 14.6 61 62 A E H > S+ 0 0 24 -5,-0.4 4,-3.1 228,-0.3 5,-0.2 0.928 113.0 53.8 -58.9 -43.5 24.8 25.8 18.2 62 63 A D H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.912 108.1 46.9 -58.5 -49.2 25.7 22.1 18.2 63 64 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.900 116.7 45.2 -65.0 -36.9 27.8 22.2 15.1 64 65 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.927 114.2 47.2 -70.0 -45.3 29.6 25.3 16.3 65 66 A A H X S+ 0 0 8 -4,-3.1 4,-0.5 -5,-0.2 -2,-0.2 0.880 119.1 40.5 -66.1 -38.5 30.2 24.0 19.8 66 67 A L H >< S+ 0 0 26 -4,-2.5 3,-0.8 -5,-0.2 -2,-0.2 0.929 115.8 50.2 -72.0 -45.6 31.4 20.7 18.6 67 68 A G H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.845 110.4 49.6 -64.7 -35.9 33.5 22.1 15.7 68 69 A W H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.658 101.1 80.6 -74.5 -18.8 35.2 24.7 17.9 69 70 A D S << S- 0 0 28 -3,-0.8 2,-0.2 -4,-0.5 -36,-0.1 -0.338 95.5 -88.7 -82.5 168.3 36.2 22.1 20.5 70 71 A C > - 0 0 47 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.561 43.4-118.6 -68.9 143.7 39.1 19.6 20.5 71 72 A N H > S+ 0 0 44 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.860 109.6 48.2 -61.3 -41.2 38.0 16.4 18.8 72 73 A I H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 112.0 49.8 -68.7 -40.8 38.4 14.0 21.8 73 74 A S H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.922 109.7 52.4 -59.5 -42.6 36.6 16.4 24.1 74 75 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 108.5 50.4 -58.7 -46.0 33.8 16.6 21.6 75 76 A R H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.911 109.0 51.0 -60.6 -44.2 33.6 12.8 21.5 76 77 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.943 111.1 48.8 -58.2 -46.0 33.4 12.6 25.3 77 78 A N H X S+ 0 0 53 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.909 109.7 51.8 -61.2 -41.0 30.6 15.1 25.3 78 79 A V H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.917 110.2 48.4 -62.8 -45.8 28.7 13.3 22.6 79 80 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.945 111.3 49.9 -61.3 -47.6 28.8 9.9 24.5 80 81 A K H X S+ 0 0 89 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.932 113.7 44.9 -57.8 -45.3 27.7 11.5 27.7 81 82 A K H >X S+ 0 0 135 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.901 111.3 54.4 -63.3 -41.2 24.7 13.2 26.0 82 83 A A H 3< S+ 0 0 4 -4,-2.5 6,-2.1 1,-0.2 -1,-0.2 0.776 115.4 37.9 -63.4 -29.7 23.9 10.0 24.1 83 84 A M H 3< S+ 0 0 10 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.486 89.3 92.0-102.7 -5.1 23.7 7.9 27.3 84 85 A K H << S- 0 0 165 -4,-1.0 -2,-0.1 -3,-0.5 -1,-0.1 0.898 106.5 -2.8 -59.5 -45.8 22.1 10.4 29.7 85 86 A N S < S- 0 0 130 -4,-0.6 2,-0.1 1,-0.4 3,-0.1 0.026 132.7 -3.9-118.0-132.6 18.5 9.2 29.0 86 87 A V S S- 0 0 138 1,-0.1 -1,-0.4 -2,-0.1 -2,-0.1 -0.452 94.1 -97.2 -63.8 133.1 17.5 6.5 26.4 87 88 A N - 0 0 31 39,-0.2 2,-1.1 -4,-0.2 -4,-0.2 -0.283 28.5-148.1 -56.6 125.6 20.7 5.5 24.7 88 89 A D > - 0 0 39 -6,-2.1 4,-2.2 1,-0.2 3,-0.3 -0.801 17.0-177.1 -92.8 91.6 21.1 7.3 21.3 89 90 A F H > S+ 0 0 29 -2,-1.1 4,-2.9 1,-0.2 5,-0.3 0.818 76.7 64.0 -61.8 -31.0 23.0 4.5 19.5 90 91 A R H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 108.2 41.3 -58.1 -44.6 23.4 6.7 16.4 91 92 A A H > S+ 0 0 3 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.895 115.4 48.9 -71.0 -42.7 25.6 9.1 18.4 92 93 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.945 112.0 50.4 -61.8 -44.6 27.5 6.4 20.3 93 94 A H H X>S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.7 0.911 105.5 55.2 -59.2 -45.6 28.1 4.6 17.0 94 95 A D H X5S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.929 114.3 42.3 -53.4 -44.7 29.4 7.7 15.3 95 96 A V H <5S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.917 124.2 30.5 -69.4 -48.2 32.0 8.1 18.1 96 97 A V H <5S+ 0 0 11 -4,-2.6 3,-0.2 1,-0.1 -3,-0.2 0.714 119.9 48.7 -92.4 -22.9 33.2 4.5 18.6 97 98 A L H <5S+ 0 0 8 -4,-2.8 2,-1.2 -5,-0.3 -3,-0.2 0.800 106.3 56.2 -84.6 -31.3 32.8 3.1 15.1 98 99 A I S < - 0 0 55 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.343 43.7-100.5 -71.9 163.9 41.3 4.4 14.9 101 102 A P H > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.899 126.6 50.4 -53.6 -38.6 42.7 2.3 17.7 102 103 A D H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 109.0 50.0 -68.1 -37.9 44.6 5.4 18.9 103 104 A E H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 110.7 51.7 -65.4 -37.5 41.4 7.6 18.8 104 105 A R H X S+ 0 0 50 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 111.1 46.7 -62.4 -46.4 39.7 4.8 20.8 105 106 A L H X S+ 0 0 89 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 113.0 48.5 -62.2 -44.8 42.5 4.8 23.4 106 107 A K H X S+ 0 0 92 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.884 111.4 50.6 -64.9 -38.5 42.5 8.6 23.7 107 108 A L H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.944 109.7 50.7 -61.9 -47.0 38.7 8.6 24.1 108 109 A A H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 11,-0.3 0.923 113.1 46.1 -56.7 -43.9 38.9 6.0 26.8 109 110 A Q H X S+ 0 0 115 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 115.4 44.7 -66.4 -46.1 41.5 8.0 28.7 110 111 A A H X S+ 0 0 31 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.855 112.4 52.3 -66.1 -38.4 39.6 11.3 28.3 111 112 A Y H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 6,-0.5 0.904 111.2 46.6 -65.0 -43.9 36.3 9.7 29.3 112 113 A K H X S+ 0 0 90 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.900 113.3 49.4 -62.9 -43.2 37.8 8.2 32.4 113 114 A E H < S+ 0 0 169 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.898 117.9 40.7 -63.7 -39.0 39.5 11.5 33.3 114 115 A K H < S+ 0 0 137 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.914 129.8 23.4 -76.6 -45.0 36.2 13.5 32.8 115 116 A T H < S- 0 0 38 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.624 91.8-127.2 -99.9 -18.6 33.6 11.1 34.3 116 117 A G S < S+ 0 0 49 -4,-2.1 2,-0.4 -5,-0.4 -4,-0.2 0.401 80.2 99.5 78.1 -2.6 35.8 9.0 36.8 117 118 A N S S- 0 0 77 -6,-0.5 -2,-0.3 4,-0.0 2,-0.3 -0.908 80.0-111.7-114.7 146.3 34.4 5.9 35.1 118 119 A D > - 0 0 82 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.558 24.4-132.7 -68.0 133.8 35.8 3.6 32.5 119 120 A L H > S+ 0 0 5 -11,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.921 106.6 51.3 -52.4 -49.4 34.0 3.8 29.2 120 121 A L H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 108.3 52.2 -60.3 -38.3 33.7 0.1 28.9 121 122 A Q H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 108.1 50.5 -67.1 -38.2 32.3 -0.3 32.4 122 123 A D H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 110.4 50.5 -65.2 -37.4 29.6 2.3 31.6 123 124 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 110.8 49.4 -60.9 -45.4 28.8 0.3 28.5 124 125 A V H < S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.921 118.1 39.5 -58.5 -45.4 28.6 -2.9 30.6 125 126 A D H < S+ 0 0 116 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 128.6 28.4 -75.2 -30.1 26.3 -1.2 33.2 126 127 A Q H < S+ 0 0 79 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.491 110.6 60.8-116.4 -9.7 24.2 0.8 30.8 127 128 A I < - 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 11,-0.1 -0.826 69.4-153.5-125.9 90.9 24.0 -1.1 27.4 128 129 A P - 0 0 94 0, 0.0 2,-1.1 0, 0.0 3,-0.3 -0.303 26.3-113.5 -58.8 146.4 22.6 -4.6 27.7 129 130 A L S S+ 0 0 68 1,-0.2 3,-0.1 -5,-0.1 -5,-0.0 -0.743 77.8 105.6 -88.2 97.8 23.8 -7.0 25.0 130 131 A T + 0 0 103 -2,-1.1 -1,-0.2 1,-0.3 40,-0.1 0.482 64.5 46.9-132.6 -63.1 20.8 -7.8 22.8 131 132 A S S > S- 0 0 26 -3,-0.3 4,-2.4 1,-0.1 -1,-0.3 -0.268 81.7-108.2 -90.9 167.0 20.9 -6.0 19.4 132 133 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 121.8 58.5 -54.2 -41.7 23.4 -5.5 16.7 133 134 A A H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 107.2 45.2 -57.3 -43.1 23.5 -1.9 17.9 134 135 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 111.7 50.8 -67.7 -44.6 24.5 -3.0 21.4 135 136 A Y H X S+ 0 0 39 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.875 106.0 57.1 -59.7 -38.1 27.2 -5.4 20.2 136 137 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.916 106.3 50.5 -58.9 -42.2 28.7 -2.7 18.0 137 138 A C H X S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.2 -2,-0.2 0.958 117.4 36.9 -60.8 -52.5 29.1 -0.5 21.0 138 139 A H H X S+ 0 0 6 -4,-2.0 4,-1.5 1,-0.2 3,-0.4 0.929 119.4 45.4 -68.0 -49.2 30.9 -3.1 23.2 139 140 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.867 103.7 64.3 -70.2 -31.0 32.9 -4.9 20.5 140 141 A A H < S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.874 113.0 34.6 -55.7 -39.4 34.1 -1.6 18.9 141 142 A I H < S+ 0 0 29 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.709 124.1 42.9 -91.7 -18.1 36.0 -0.7 22.1 142 143 A R H < S+ 0 0 109 -4,-1.5 2,-0.3 -5,-0.1 -2,-0.2 0.805 101.3 69.3 -92.8 -35.4 37.0 -4.3 23.1 143 144 A E < - 0 0 53 -4,-2.7 2,-0.2 -5,-0.2 -1,-0.0 -0.697 58.5-152.1-106.5 147.5 38.2 -5.9 19.9 144 145 A N - 0 0 99 -2,-0.3 2,-0.4 35,-0.1 37,-0.1 -0.559 28.0-104.1-104.7 164.4 41.2 -5.5 17.6 145 146 A R + 0 0 91 -2,-0.2 35,-0.2 35,-0.1 34,-0.1 -0.759 45.5 164.1 -88.6 132.9 41.5 -6.2 13.9 146 147 A T - 0 0 80 33,-2.2 35,-0.3 -2,-0.4 2,-0.1 -0.986 39.8-103.8-147.7 142.7 43.5 -9.4 13.0 147 148 A P - 0 0 96 0, 0.0 33,-0.1 0, 0.0 0, 0.0 -0.420 27.7-176.8 -65.6 146.5 43.8 -11.3 9.7 148 149 A R - 0 0 76 -2,-0.1 32,-0.0 33,-0.1 0, 0.0 0.560 27.2-139.6-114.8 -19.7 41.8 -14.6 9.5 149 150 A G S S+ 0 0 68 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.830 75.2 105.9 63.2 29.6 42.8 -15.9 6.1 150 151 A S > + 0 0 32 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.306 29.5 146.3-134.8 52.9 39.2 -17.0 5.5 151 152 A V H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 73.3 46.9 -65.2 -45.4 37.9 -14.5 3.0 152 153 A A H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 115.3 44.6 -62.7 -47.9 35.6 -16.9 1.1 153 154 A S H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 110.6 55.1 -67.6 -32.7 34.0 -18.4 4.2 154 155 A D H X S+ 0 0 12 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.899 106.3 51.3 -66.5 -40.1 33.7 -14.9 5.8 155 156 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.901 109.6 50.8 -59.9 -39.0 31.7 -13.7 2.8 156 157 A E H X S+ 0 0 88 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.871 105.2 56.1 -66.1 -36.4 29.5 -16.8 3.2 157 158 A V H X S+ 0 0 51 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.927 110.0 46.6 -61.4 -44.5 29.0 -16.0 6.9 158 159 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.926 113.5 47.3 -63.9 -43.8 27.7 -12.5 5.9 159 160 A K H X>S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 5,-1.7 0.947 113.7 48.9 -61.6 -45.7 25.4 -14.0 3.2 160 161 A H H <>S+ 0 0 104 -4,-3.1 5,-3.1 3,-0.2 -2,-0.2 0.942 119.3 35.9 -60.4 -48.7 24.1 -16.6 5.5 161 162 A N H <5S+ 0 0 15 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 123.8 40.0 -75.3 -38.9 23.3 -14.2 8.3 162 163 A L H <5S+ 0 0 6 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.808 134.4 10.6 -81.3 -31.1 22.2 -11.2 6.3 163 164 A I T <5S+ 0 0 72 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.808 127.6 35.8-114.2 -48.0 20.2 -12.9 3.6 164 165 A D T - 0 0 89 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.815 33.7-168.1 -82.7 93.8 23.5 -14.1 14.6 170 171 A H H > S+ 0 0 50 -2,-1.2 4,-2.7 1,-0.2 5,-0.2 0.898 79.9 50.6 -58.2 -43.9 24.0 -10.5 15.5 171 172 A E H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.930 110.0 49.9 -61.3 -43.9 27.1 -11.0 17.6 172 173 A A H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 112.6 47.7 -62.8 -40.1 28.8 -13.1 14.8 173 174 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.947 114.6 44.8 -66.5 -47.7 28.1 -10.4 12.2 174 175 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.931 113.6 50.3 -62.1 -46.9 29.3 -7.6 14.4 175 176 A R H X S+ 0 0 71 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.928 109.6 51.7 -59.0 -45.3 32.4 -9.5 15.4 176 177 A L H X S+ 0 0 12 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.949 116.2 39.2 -55.5 -50.3 33.3 -10.4 11.8 177 178 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.949 116.5 48.7 -67.1 -49.4 33.0 -6.8 10.6 178 179 A I H 3< S+ 0 0 24 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 114.9 44.3 -64.7 -28.8 34.7 -5.1 13.7 179 180 A T H 3< S+ 0 0 13 -4,-2.1 -33,-2.2 -5,-0.3 2,-0.3 0.399 87.9 112.2 -98.4 3.1 37.7 -7.5 13.7 180 181 A S << - 0 0 0 -3,-1.2 2,-0.1 -4,-0.5 -35,-0.1 -0.564 65.2-128.8 -77.4 137.7 38.4 -7.5 10.0 181 182 A T > - 0 0 28 -35,-0.3 4,-2.8 -2,-0.3 5,-0.2 -0.440 25.2-114.8 -69.8 158.3 41.5 -5.9 8.7 182 183 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.900 114.9 52.5 -61.6 -40.9 41.0 -3.4 5.9 183 184 A D H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.948 114.6 39.6 -63.3 -50.4 42.9 -5.6 3.4 184 185 A E H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 113.3 55.7 -66.4 -38.5 40.9 -8.7 4.1 185 186 A Y H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.873 100.6 57.2 -64.8 -36.0 37.6 -6.8 4.4 186 187 A K H X S+ 0 0 153 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 112.3 44.1 -56.7 -41.7 38.0 -5.3 0.9 187 188 A E H X S+ 0 0 100 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.891 112.1 51.1 -69.8 -40.1 38.2 -8.9 -0.4 188 189 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.925 110.2 51.3 -61.2 -44.7 35.3 -10.1 1.8 189 190 A N H X S+ 0 0 20 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.920 110.6 46.8 -59.5 -47.8 33.2 -7.3 0.5 190 191 A H H X S+ 0 0 116 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.9 50.6 -61.7 -43.8 34.0 -8.1 -3.1 191 192 A R H X S+ 0 0 122 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.893 108.3 53.3 -62.9 -38.5 33.3 -11.8 -2.6 192 193 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 6,-0.5 0.918 108.5 49.7 -60.9 -43.7 29.9 -11.0 -1.0 193 194 A E H X S+ 0 0 82 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 113.6 46.0 -63.1 -39.8 28.9 -8.9 -4.0 194 195 A V H < S+ 0 0 104 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.0 47.1 -67.8 -46.1 29.9 -11.7 -6.4 195 196 A L H < S+ 0 0 73 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.835 128.9 20.5 -62.5 -36.6 28.1 -14.4 -4.3 196 197 A T H < S- 0 0 31 -4,-2.2 -2,-0.2 2,-0.3 -3,-0.2 0.645 87.8-128.0-112.1 -21.2 24.9 -12.4 -3.8 197 198 A G S < S+ 0 0 67 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.575 79.4 101.8 70.2 15.1 24.6 -9.8 -6.5 198 199 A K S S- 0 0 93 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.3 -0.901 75.4-115.2-125.3 153.0 24.0 -7.3 -3.7 199 200 A S > - 0 0 36 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.505 28.8-121.3 -74.2 153.5 25.9 -4.7 -1.8 200 201 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 114.8 57.3 -61.1 -41.4 26.5 -5.4 1.9 201 202 A Q H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.934 107.6 46.3 -54.8 -48.8 24.7 -2.1 2.6 202 203 A E H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 112.2 50.4 -61.9 -44.5 21.6 -3.3 0.7 203 204 A A H X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.914 113.4 46.0 -61.1 -43.9 21.7 -6.6 2.5 204 205 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.929 112.8 48.8 -60.9 -48.8 22.0 -5.0 5.9 205 206 A E H < S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.830 112.5 48.7 -69.0 -28.0 19.3 -2.4 5.2 206 207 A T H < S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.898 116.7 42.1 -72.1 -40.7 16.9 -5.1 4.0 207 208 A R H < S+ 0 0 56 -4,-2.0 2,-0.9 -5,-0.2 -2,-0.2 0.876 106.5 61.2 -74.4 -43.8 17.5 -7.3 7.0 208 209 A Y < + 0 0 14 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 -0.778 53.8 178.1 -98.7 100.0 17.5 -4.8 9.9 209 210 A A + 0 0 98 -2,-0.9 2,-0.5 -3,-0.1 -1,-0.2 0.771 63.2 87.0 -70.5 -28.6 14.2 -3.1 10.1 210 211 A D S > S- 0 0 81 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.665 75.7-147.2 -73.5 122.2 15.4 -1.1 13.2 211 212 A K H > S+ 0 0 154 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.833 93.6 53.9 -66.2 -36.0 17.1 2.0 11.7 212 213 A E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 110.9 47.7 -63.8 -44.3 19.7 2.3 14.4 213 214 A N H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.959 114.8 44.2 -59.3 -54.7 20.8 -1.3 13.9 214 215 A A H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 115.0 48.8 -59.2 -46.4 21.0 -1.0 10.1 215 216 A R H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.916 110.9 49.5 -61.8 -44.4 22.8 2.3 10.2 216 217 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.917 111.3 48.2 -65.0 -42.7 25.4 1.2 12.8 217 218 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 111.5 50.9 -63.4 -40.3 26.2 -2.0 10.9 218 219 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.867 108.7 51.9 -64.9 -36.2 26.6 -0.0 7.7 219 220 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.931 111.7 45.6 -63.2 -47.4 28.9 2.5 9.4 220 221 A A H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.929 114.5 49.5 -62.3 -43.5 31.1 -0.3 10.7 221 222 A H H X S+ 0 0 3 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.955 113.9 44.1 -55.3 -55.2 31.1 -2.0 7.2 222 223 A Y H >X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 3,-0.6 0.839 104.8 63.1 -65.9 -33.0 32.0 1.2 5.4 223 224 A Y H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 100.2 54.9 -57.1 -40.3 34.7 2.2 7.9 224 225 A N H 3< S+ 0 0 10 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.800 109.5 46.1 -61.2 -35.6 36.5 -1.0 6.9 225 226 A L H << S- 0 0 42 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.917 140.8 -28.0 -74.8 -45.1 36.4 0.1 3.2 226 227 A A >X - 0 0 22 -4,-2.6 4,-1.4 1,-0.1 3,-1.2 -0.829 52.8-129.5-166.7 132.4 37.5 3.7 4.0 227 228 A P H 3> S+ 0 0 47 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.898 111.5 51.2 -48.4 -43.0 37.0 5.8 7.2 228 229 A A H 3> S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 40,-0.1 0.716 102.3 61.1 -72.6 -20.0 35.7 8.7 5.2 229 230 A R H <> S+ 0 0 83 -3,-1.2 4,-2.5 -7,-0.3 -1,-0.2 0.832 102.0 51.7 -69.4 -38.2 33.2 6.4 3.5 230 231 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.4 -2,-0.2 0.910 111.0 48.6 -61.2 -42.5 31.7 5.6 6.9 231 232 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.919 110.4 50.6 -64.1 -44.5 31.4 9.4 7.4 232 233 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.915 111.3 48.5 -58.5 -45.5 29.8 9.8 4.0 233 234 A Y H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.932 111.3 49.7 -60.5 -45.6 27.2 7.0 4.7 234 235 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.906 111.3 49.2 -61.0 -40.5 26.4 8.5 8.1 235 236 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 3,-0.3 0.926 110.8 50.1 -64.8 -43.8 25.9 12.0 6.5 236 237 A H H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 106.8 55.4 -55.5 -46.8 23.7 10.4 3.8 237 238 A S H < S+ 0 0 24 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.828 110.3 46.2 -59.9 -31.8 21.7 8.7 6.6 238 239 A A H >< S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.3 -2,-0.2 0.925 110.5 52.0 -73.1 -48.3 21.1 12.2 8.1 239 240 A V H 3< S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.879 110.7 47.6 -55.7 -42.2 20.2 13.8 4.8 240 241 A E T 3< S+ 0 0 130 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.3 0.499 83.8 112.3 -82.1 -2.4 17.5 11.2 4.0 241 242 A T < - 0 0 26 -3,-1.3 6,-0.1 -4,-0.2 7,-0.0 -0.577 58.9-152.8 -72.8 127.8 16.0 11.3 7.5 242 243 A Q S S+ 0 0 185 -2,-0.4 2,-0.6 5,-0.1 -1,-0.2 0.836 74.0 82.9 -71.4 -36.3 12.5 12.8 7.1 243 244 A N > - 0 0 82 1,-0.2 4,-3.0 2,-0.1 5,-0.2 -0.609 69.4-154.2 -75.8 116.4 12.3 14.4 10.6 244 245 A D H > S+ 0 0 52 -2,-0.6 4,-2.9 1,-0.2 5,-0.4 0.894 90.6 56.2 -60.9 -41.4 14.1 17.7 10.5 245 246 A D H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.956 115.3 39.1 -57.7 -45.3 15.1 17.8 14.2 246 247 A M H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.924 114.8 51.7 -69.5 -44.1 16.8 14.4 13.8 247 248 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.927 115.0 42.3 -60.3 -44.0 18.3 15.1 10.4 248 249 A Y H X S+ 0 0 1 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.897 112.8 53.4 -72.7 -37.8 19.9 18.4 11.5 249 250 A E H X S+ 0 0 57 -4,-2.2 4,-2.0 -5,-0.4 -2,-0.2 0.932 113.6 42.7 -57.2 -50.0 21.0 16.9 14.9 250 251 A Q H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.937 114.4 49.8 -64.3 -45.8 22.8 14.1 13.1 251 252 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.885 109.7 52.3 -62.9 -38.7 24.3 16.3 10.4 252 253 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.924 113.0 44.1 -61.7 -45.3 25.5 18.8 13.0 253 254 A R H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.937 113.9 48.0 -65.9 -48.6 27.3 16.0 15.0 254 255 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.914 116.2 45.3 -58.8 -45.8 28.8 14.3 12.0 255 256 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.946 113.5 48.8 -62.5 -49.8 30.1 17.6 10.6 256 257 A G H < S+ 0 0 5 -4,-2.7 -2,-0.2 -5,-0.2 4,-0.2 0.897 119.3 38.0 -59.0 -43.4 31.4 18.8 14.0 257 258 A L H < S+ 0 0 3 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.851 129.6 23.4 -73.7 -37.8 33.3 15.6 14.7 258 259 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 7,-0.2 0.464 81.2 104.4-120.2 1.1 34.6 14.7 11.3 259 260 A H T < S+ 0 0 13 -4,-2.0 -1,-0.1 1,-0.2 6,-0.1 0.794 100.1 26.2 -60.9 -33.4 34.9 17.7 9.0 260 261 A D T >4 S+ 0 0 65 -5,-0.2 3,-1.4 -4,-0.2 -1,-0.2 0.872 122.7 49.5 -88.7 -50.4 38.7 17.8 9.4 261 262 A L T 34 S+ 0 0 81 -4,-0.3 -2,-0.2 1,-0.3 3,-0.1 0.824 127.6 26.0 -60.5 -34.3 39.5 14.2 10.2 262 263 A H T >< S+ 0 0 22 -4,-2.7 3,-2.1 1,-0.1 -1,-0.3 -0.326 75.2 153.0-126.8 48.3 37.5 12.9 7.2 263 264 A K T X + 0 0 122 -3,-1.4 3,-0.6 1,-0.3 -1,-0.1 0.673 67.8 61.3 -53.9 -26.9 37.6 15.9 4.9 264 265 A F T >> + 0 0 107 1,-0.2 3,-1.8 -3,-0.1 4,-0.9 0.197 62.7 114.8 -90.9 18.9 37.2 13.7 1.8 265 266 A A H <> + 0 0 0 -3,-2.1 4,-1.9 1,-0.3 3,-0.4 0.839 69.0 67.4 -50.2 -34.1 33.8 12.3 2.8 266 267 A W H <> S+ 0 0 115 -3,-0.6 4,-0.9 1,-0.2 9,-0.3 0.794 91.4 61.4 -59.9 -28.3 32.5 14.2 -0.2 267 268 A V H <4 S+ 0 0 72 -3,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.939 111.8 36.6 -60.0 -50.2 34.4 11.8 -2.5 268 269 A H H >< S+ 0 0 53 -4,-0.9 3,-1.1 -3,-0.4 -2,-0.2 0.728 107.2 66.2 -76.0 -26.3 32.5 8.9 -1.2 269 270 A Y H >X S+ 0 0 1 -4,-1.9 3,-2.8 1,-0.2 4,-1.3 0.773 77.9 84.9 -65.1 -24.4 29.2 10.8 -0.9 270 271 A A T 3< S+ 0 0 68 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.742 73.0 75.2 -53.7 -24.0 29.2 11.1 -4.7 271 272 A C T <4 S+ 0 0 92 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.873 110.7 27.3 -43.3 -44.7 27.5 7.6 -4.7 272 273 A W T <4 S- 0 0 58 -3,-2.8 2,-0.3 1,-0.4 -2,-0.2 0.661 131.8 -59.1-103.7 -25.1 24.4 9.4 -3.5 273 274 A G S < S- 0 0 21 -4,-1.3 2,-0.7 4,-0.0 -1,-0.4 -0.967 72.2 -49.8 164.6-175.0 24.7 12.9 -4.9 274 275 A V > - 0 0 78 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.819 48.2-146.6 -86.7 117.2 26.9 15.9 -4.9 275 276 A M H > S+ 0 0 3 -2,-0.7 4,-2.3 -9,-0.3 5,-0.2 0.900 96.8 49.8 -55.8 -45.4 27.5 16.6 -1.2 276 277 A R H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 113.2 46.3 -56.8 -47.8 27.7 20.3 -1.7 277 278 A D H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.868 112.2 50.5 -65.2 -36.9 24.4 20.3 -3.7 278 279 A D H X S+ 0 0 42 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.861 106.9 52.9 -74.2 -32.9 22.6 18.1 -1.2 279 280 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.953 112.5 47.0 -61.2 -45.9 23.5 20.2 1.8 280 281 A L H < S+ 0 0 73 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.908 118.9 39.9 -59.9 -45.3 22.1 23.2 -0.1 281 282 A S H < S+ 0 0 89 -4,-2.4 3,-0.2 1,-0.1 -2,-0.2 0.906 119.3 42.8 -72.2 -44.9 18.9 21.4 -1.1 282 283 A R H < S+ 0 0 52 -4,-3.0 2,-1.4 1,-0.2 -3,-0.2 0.872 103.9 59.9 -73.7 -43.5 18.3 19.5 2.1 283 284 A F < + 0 0 1 -4,-2.0 11,-0.3 -5,-0.3 -1,-0.2 -0.579 62.0 126.7 -98.1 73.8 18.9 22.0 4.9 284 285 A Q + 0 0 125 -2,-1.4 -1,-0.2 -3,-0.2 7,-0.1 0.017 28.3 147.4-117.4 26.0 16.4 24.7 4.1 285 286 A S - 0 0 14 5,-0.2 9,-0.1 1,-0.1 8,-0.1 -0.349 40.0-155.2 -67.7 145.0 14.5 25.1 7.4 286 287 A K + 0 0 193 4,-0.1 -1,-0.1 6,-0.0 2,-0.1 0.406 57.4 120.8 -93.2 -3.4 13.2 28.5 8.4 287 288 A E S >> S- 0 0 87 1,-0.1 3,-2.3 2,-0.1 4,-2.0 -0.439 73.1-123.1 -63.9 136.3 13.2 27.6 12.1 288 289 A A T 34 S+ 0 0 79 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.844 109.2 49.3 -51.4 -42.4 15.5 30.0 14.0 289 290 A N T 34 S+ 0 0 41 1,-0.2 -229,-1.7 2,-0.1 -1,-0.3 0.444 121.0 36.6 -83.0 2.6 17.8 27.3 15.4 290 291 A K T X> S+ 0 0 6 -3,-2.3 3,-1.7 -231,-0.1 4,-0.6 0.539 87.9 91.0-118.9 -20.4 18.2 25.8 11.9 291 292 A V T 3< S+ 0 0 57 -4,-2.0 4,-0.3 1,-0.3 3,-0.2 0.817 97.4 35.8 -57.3 -35.8 18.2 28.7 9.5 292 293 A N T 3> S+ 0 0 22 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.384 91.3 93.9 -96.9 3.1 22.0 29.2 9.5 293 294 A F H <> S+ 0 0 0 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.911 79.6 57.4 -60.9 -45.6 23.0 25.5 9.8 294 295 A R H X S+ 0 0 49 -4,-0.6 4,-2.7 -11,-0.3 -1,-0.2 0.917 109.1 45.1 -52.7 -47.7 23.4 25.0 6.0 295 296 A D H > S+ 0 0 67 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.894 113.3 49.6 -67.0 -38.0 26.0 27.7 5.8 296 297 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.911 111.6 50.2 -61.5 -44.5 27.8 26.5 8.9 297 298 A C H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.931 110.6 47.9 -62.0 -49.7 27.8 23.0 7.4 298 299 A L H X>S+ 0 0 9 -4,-2.7 5,-2.8 -5,-0.2 6,-0.6 0.917 112.5 50.8 -56.9 -43.8 29.2 24.1 4.0 299 300 A M H ><5S+ 0 0 24 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.939 109.4 48.7 -59.8 -49.3 31.9 26.1 5.8 300 301 A F H 3<5S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.841 114.7 45.4 -64.8 -30.2 33.0 23.2 8.0 301 302 A W H 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.438 110.0-120.7 -90.7 0.9 33.2 20.9 5.0 302 303 A K T <<5S+ 0 0 174 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.886 81.6 118.3 60.7 40.6 35.0 23.4 2.8 303 304 A L < 0 0 11 -5,-2.8 -4,-0.2 -6,-0.2 -5,-0.1 0.130 360.0 360.0-118.6 12.4 32.2 23.2 0.3 304 305 A A 0 0 111 -6,-0.6 -5,-0.1 -5,-0.1 -1,-0.1 0.855 360.0 360.0 -75.2 360.0 31.1 26.9 0.5