==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 26-APR-12 4EVF . COMPND 2 MOLECULE: GIARDIN SUBUNIT ALPHA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR S.WEERATUNGA,A.HOFMANN . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.9 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 0 0 4 4 1 2 0 2 3 3 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 P 0 0 130 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 10.6 29.7 47.1 2 3 A K > - 0 0 147 1,-0.1 4,-2.2 4,-0.0 3,-0.5 -0.403 360.0-119.0 -69.8 147.7 13.8 31.6 46.0 3 4 A V H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.830 115.6 57.5 -57.5 -32.5 16.2 29.6 43.8 4 5 A T H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.895 107.1 47.7 -66.1 -36.4 18.9 30.1 46.5 5 6 A D H > S+ 0 0 82 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.901 111.6 48.7 -72.5 -40.3 16.6 28.4 49.1 6 7 A I H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 108.2 55.6 -60.2 -41.0 15.8 25.5 46.7 7 8 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.885 107.1 50.4 -60.5 -36.1 19.5 25.2 46.1 8 9 A N H X S+ 0 0 62 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.912 106.6 53.3 -67.0 -43.9 19.8 24.8 49.9 9 10 A E H X S+ 0 0 77 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.947 111.0 47.9 -51.4 -50.2 17.2 22.1 50.1 10 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.887 106.9 56.5 -59.5 -41.2 19.2 20.3 47.4 11 12 A K H X S+ 0 0 40 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.910 110.3 44.2 -56.1 -45.4 22.4 20.7 49.4 12 13 A Q H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.796 111.8 52.0 -74.7 -28.8 21.0 19.1 52.4 13 14 A A H <>S+ 0 0 5 -4,-1.8 5,-2.5 -5,-0.2 4,-0.5 0.880 111.6 47.9 -72.2 -37.1 19.4 16.2 50.5 14 15 A I H <5S+ 0 0 7 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.891 111.6 49.3 -70.2 -41.6 22.7 15.6 48.8 15 16 A D H <5S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.8 47.7 -61.0 -41.4 24.5 15.7 52.2 16 17 A A T <5S- 0 0 67 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.612 105.9-133.8 -73.8 -11.8 21.8 13.3 53.5 17 18 A K T 5 + 0 0 124 -4,-0.5 2,-1.1 -3,-0.4 -3,-0.2 0.819 46.8 163.6 58.1 30.1 22.4 11.2 50.4 18 19 A D >< - 0 0 70 -5,-2.5 4,-1.8 1,-0.2 -1,-0.2 -0.699 17.6-177.3 -83.4 97.2 18.6 11.1 50.2 19 20 A E H > S+ 0 0 33 -2,-1.1 4,-2.6 1,-0.2 5,-0.2 0.911 80.7 49.1 -65.2 -46.6 17.9 9.9 46.6 20 21 A V H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.882 110.0 54.1 -62.6 -35.7 14.1 10.1 46.7 21 22 A Q H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 108.9 47.0 -66.6 -38.7 14.4 13.6 48.2 22 23 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.935 114.3 48.5 -65.2 -43.9 16.6 14.8 45.3 23 24 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.899 110.1 52.4 -59.8 -40.6 14.1 13.2 42.9 24 25 A F H X S+ 0 0 72 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.919 110.9 45.3 -65.6 -44.3 11.2 14.9 44.8 25 26 A I H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.921 113.5 50.2 -63.1 -44.3 12.8 18.3 44.5 26 27 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.881 106.5 57.0 -60.3 -35.2 13.6 17.7 40.8 27 28 A S H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.683 97.1 63.4 -71.4 -19.8 10.0 16.6 40.2 28 29 A E T << S+ 0 0 91 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.3 0.611 102.7 53.6 -78.2 -13.9 8.7 19.9 41.5 29 30 A Y S < S- 0 0 58 -3,-1.2 227,-0.1 -4,-0.4 -1,-0.0 -0.950 78.0-116.2-137.4 144.2 10.3 22.0 38.8 30 31 A S > - 0 0 37 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.091 41.1-100.1 -68.9 171.3 10.5 22.2 35.0 31 32 A A H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.924 125.9 48.5 -61.0 -45.4 13.7 21.8 33.1 32 33 A E H > S+ 0 0 85 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 112.2 49.1 -60.1 -43.0 14.1 25.5 32.7 33 34 A S H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 107.7 53.6 -66.0 -42.8 13.4 26.0 36.4 34 35 A R H X S+ 0 0 10 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.823 103.9 57.5 -61.9 -28.9 16.0 23.3 37.3 35 36 A E H X S+ 0 0 74 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.915 106.8 48.0 -63.2 -44.9 18.5 25.3 35.2 36 37 A K H X S+ 0 0 124 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.932 112.0 50.1 -57.5 -47.3 17.9 28.4 37.4 37 38 A I H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.903 107.9 52.3 -60.6 -43.1 18.3 26.2 40.5 38 39 A A H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 11,-0.3 0.849 108.5 52.2 -62.8 -35.9 21.6 24.7 39.2 39 40 A K H X S+ 0 0 162 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.926 110.3 46.8 -64.3 -44.9 22.9 28.2 38.6 40 41 A A H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.904 110.6 55.9 -63.6 -38.3 22.0 29.3 42.2 41 42 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.4 0.919 108.1 43.7 -61.9 -46.6 23.6 26.1 43.4 42 43 A V H X S+ 0 0 50 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.900 114.5 50.6 -71.6 -37.6 27.0 26.6 41.8 43 44 A A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.931 115.7 43.6 -58.4 -46.7 27.1 30.3 42.9 44 45 A S H < S+ 0 0 59 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.875 131.3 18.6 -68.6 -41.9 26.3 29.4 46.5 45 46 A Y H < S- 0 0 64 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.492 92.6-126.2-116.3 -7.7 28.5 26.4 47.0 46 47 A G S < S+ 0 0 60 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.722 78.0 99.1 69.1 20.8 31.1 26.8 44.2 47 48 A K S S- 0 0 79 -6,-0.4 -2,-0.2 -5,-0.1 2,-0.2 -0.993 80.7-105.6-136.1 144.8 30.5 23.2 42.9 48 49 A E > - 0 0 109 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.521 27.2-130.9 -72.4 135.2 28.4 22.0 40.0 49 50 A L H > S+ 0 0 1 -11,-0.3 4,-2.6 1,-0.3 5,-0.2 0.881 107.0 47.6 -56.7 -48.2 25.1 20.4 41.1 50 51 A P H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.867 111.5 53.1 -59.0 -36.3 25.5 17.3 38.9 51 52 A D H > S+ 0 0 84 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.869 110.4 46.3 -66.5 -37.4 29.1 16.9 40.2 52 53 A D H X S+ 0 0 13 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.934 112.3 50.6 -71.0 -44.3 28.0 17.1 43.8 53 54 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.933 109.5 51.0 -54.5 -49.2 25.2 14.6 43.1 54 55 A K H < S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.6 48.0 -58.0 -40.9 27.7 12.2 41.5 55 56 A K H < S+ 0 0 163 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.5 45.9 -70.7 -30.2 30.0 12.4 44.4 56 57 A A H < S+ 0 0 12 -4,-1.9 -2,-0.2 -3,-0.2 2,-0.2 0.813 104.3 68.1 -83.8 -34.4 27.2 11.8 47.0 57 58 A L S < S- 0 0 13 -4,-2.3 3,-0.1 -5,-0.2 -39,-0.0 -0.530 75.6-128.0 -92.1 159.0 25.5 8.9 45.4 58 59 A K - 0 0 179 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.994 52.4-127.6 -68.2 -65.3 26.5 5.3 44.8 59 60 A G + 0 0 13 4,-0.0 3,-0.4 0, 0.0 -1,-0.2 -0.931 56.5 117.3 146.0-171.4 25.7 5.1 41.2 60 61 A G S > S- 0 0 47 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.560 92.8 -43.0 95.9-178.3 24.0 3.2 38.6 61 62 A S H > S+ 0 0 23 1,-0.2 4,-2.4 -2,-0.2 -1,-0.2 0.728 133.8 66.5 -61.7 -23.0 21.2 4.6 36.5 62 63 A E H > S+ 0 0 6 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.938 105.0 39.7 -63.9 -50.5 19.7 6.2 39.6 63 64 A E H > S+ 0 0 25 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.935 114.8 53.5 -66.4 -44.3 22.6 8.7 40.0 64 65 A S H X S+ 0 0 32 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.908 109.4 48.9 -56.3 -46.2 22.9 9.3 36.3 65 66 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.910 111.0 49.1 -58.0 -47.7 19.2 10.2 36.1 66 67 A L H X S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.897 112.1 49.1 -63.3 -41.3 19.4 12.6 39.0 67 68 A M H >< S+ 0 0 34 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.915 107.8 55.0 -57.0 -48.9 22.5 14.2 37.5 68 69 A D H >< S+ 0 0 15 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.883 99.6 60.4 -55.1 -43.8 20.7 14.6 34.1 69 70 A L H 3< S+ 0 0 2 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.706 112.1 39.2 -60.4 -20.8 17.8 16.4 35.7 70 71 A F T << S+ 0 0 7 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.190 107.7 81.4-116.0 16.1 20.2 19.1 36.9 71 72 A S S < S- 0 0 40 -3,-1.9 2,-0.6 -4,-0.1 -33,-0.1 -0.508 99.3 -74.9-105.9 177.6 22.3 19.1 33.7 72 73 A D > - 0 0 53 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.699 39.1-148.8 -77.3 117.4 21.7 20.8 30.3 73 74 A R H > S+ 0 0 28 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.663 95.2 54.1 -66.1 -18.2 19.0 18.6 28.6 74 75 A H H > S+ 0 0 13 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.859 110.3 45.0 -83.7 -38.1 20.4 19.3 25.2 75 76 A E H > S+ 0 0 78 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.869 114.0 52.1 -66.5 -39.0 23.9 18.1 26.1 76 77 A V H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.976 112.7 43.1 -57.1 -58.3 22.2 15.2 27.8 77 78 A R H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 112.7 53.2 -56.6 -45.0 20.2 14.3 24.7 78 79 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.894 109.9 47.7 -57.8 -42.6 23.2 14.8 22.4 79 80 A Q H X S+ 0 0 77 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.879 109.0 53.8 -69.1 -38.8 25.4 12.4 24.5 80 81 A H H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.909 109.8 48.8 -57.0 -43.7 22.6 9.8 24.5 81 82 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.888 110.6 49.8 -66.0 -41.4 22.5 10.1 20.7 82 83 A R H >X S+ 0 0 85 -4,-2.1 4,-1.3 2,-0.2 3,-1.0 0.947 111.6 49.5 -55.9 -52.0 26.3 9.7 20.6 83 84 A D H >X S+ 0 0 78 -4,-3.0 4,-0.7 1,-0.3 3,-0.6 0.906 106.2 55.3 -55.6 -44.6 26.0 6.6 22.8 84 85 A A H 3< S+ 0 0 2 -4,-2.5 6,-2.0 1,-0.2 -1,-0.3 0.732 115.8 39.7 -62.5 -21.3 23.3 5.1 20.6 85 86 A L H << S+ 0 0 11 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.560 93.2 84.7-102.5 -13.4 25.8 5.5 17.7 86 87 A S H << S+ 0 0 100 -4,-1.3 -2,-0.1 -3,-0.6 -3,-0.1 0.830 107.0 1.7 -64.5 -35.1 29.0 4.4 19.5 87 88 A G S < S- 0 0 47 -4,-0.7 3,-0.1 1,-0.4 2,-0.1 -0.160 125.0 -11.5-120.6-143.0 28.4 0.7 19.0 88 89 A R S S- 0 0 234 1,-0.1 -1,-0.4 -2,-0.1 -2,-0.1 -0.418 96.1 -84.8 -55.7 134.5 25.7 -1.4 17.3 89 90 A N - 0 0 44 39,-0.2 2,-1.3 1,-0.1 -4,-0.2 -0.197 38.7-140.5 -52.1 125.7 22.9 1.1 16.5 90 91 A D > + 0 0 39 -6,-2.0 4,-2.3 1,-0.2 -1,-0.1 -0.690 23.5 178.9 -89.8 90.3 20.6 1.4 19.6 91 92 A H H > S+ 0 0 50 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.869 79.2 53.7 -64.4 -37.2 17.2 1.5 18.0 92 93 A M H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.946 110.4 47.6 -60.0 -45.2 15.3 1.8 21.3 93 94 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.868 105.4 60.5 -62.6 -38.3 17.5 4.8 22.2 94 95 A F H X>S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.9 0.926 104.8 48.5 -52.0 -49.3 16.8 6.2 18.8 95 96 A F H X>S+ 0 0 12 -4,-2.0 5,-1.8 1,-0.2 4,-0.7 0.920 113.6 47.2 -57.9 -45.2 13.1 6.3 19.6 96 97 A D H <5S+ 0 0 0 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.828 122.6 32.5 -64.8 -36.1 13.8 7.9 23.0 97 98 A T H <5S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.791 128.4 29.3 -97.7 -34.1 16.1 10.6 21.6 98 99 A V H <5S+ 0 0 1 -4,-2.9 3,-0.2 -5,-0.3 -3,-0.2 0.846 127.1 33.6 -98.2 -43.0 14.9 11.4 18.1 99 100 A I T < - 0 0 27 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.547 32.1-116.0 -80.0 154.0 10.1 18.8 20.6 103 104 A P H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.883 116.1 54.9 -58.7 -36.3 11.5 20.7 17.6 104 105 A E H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.948 110.2 44.3 -59.7 -51.5 12.9 23.3 19.9 105 106 A D H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 111.8 54.1 -63.5 -33.9 14.8 20.8 22.0 106 107 A W H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.954 106.3 52.0 -65.0 -46.9 16.0 19.0 18.8 107 108 A H H X S+ 0 0 133 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.890 112.8 43.5 -56.3 -44.1 17.4 22.3 17.4 108 109 A E H X S+ 0 0 93 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.830 111.1 56.4 -72.5 -32.7 19.4 23.0 20.6 109 110 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.892 104.0 52.5 -62.7 -42.6 20.5 19.4 20.8 110 111 A V H X S+ 0 0 42 -4,-2.5 4,-1.6 1,-0.2 11,-0.3 0.912 111.2 47.4 -61.3 -41.5 22.0 19.6 17.2 111 112 A A H X S+ 0 0 44 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.897 110.8 51.1 -66.4 -39.1 23.9 22.7 18.4 112 113 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.901 106.2 56.1 -64.7 -37.5 25.1 20.9 21.5 113 114 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.5 0.891 107.1 48.2 -63.0 -41.3 26.3 17.9 19.4 114 115 A T H X S+ 0 0 68 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.915 112.9 48.8 -64.2 -41.1 28.5 20.2 17.3 115 116 A R H < S+ 0 0 134 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 118.0 40.0 -65.1 -39.2 29.9 21.8 20.4 116 117 A M H < S+ 0 0 65 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.834 133.8 15.2 -82.2 -35.7 30.6 18.4 22.1 117 118 A F H < S- 0 0 33 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.458 87.1-128.1-124.6 -4.7 31.9 16.3 19.2 118 119 A K S < S+ 0 0 150 -4,-1.9 -4,-0.2 -5,-0.4 -3,-0.1 0.873 76.3 105.8 54.5 39.3 32.8 18.8 16.4 119 120 A K S S- 0 0 97 -6,-0.5 2,-0.5 0, 0.0 -2,-0.2 -0.968 80.9-101.9-140.8 153.7 30.6 16.8 14.0 120 121 A P > - 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.720 28.8-145.3 -80.0 124.9 27.2 17.3 12.4 121 122 A L H > S+ 0 0 2 -2,-0.5 4,-2.5 -11,-0.3 5,-0.1 0.920 95.1 46.3 -56.0 -53.9 24.7 15.2 14.3 122 123 A V H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.881 112.7 51.0 -61.7 -40.6 22.4 14.3 11.4 123 124 A E H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 111.6 47.2 -59.9 -49.0 25.4 13.4 9.2 124 125 A D H X S+ 0 0 31 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.867 113.6 50.6 -58.2 -40.7 26.8 11.1 11.9 125 126 A F H >X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 3,-0.5 0.974 111.9 42.9 -63.9 -57.5 23.4 9.6 12.3 126 127 A M H 3X S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.824 107.1 64.7 -62.8 -30.2 22.7 8.8 8.6 127 128 A K H 3< S+ 0 0 155 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.940 113.3 31.6 -51.4 -49.4 26.2 7.6 8.3 128 129 A D H << S+ 0 0 72 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.675 124.5 45.0 -90.2 -19.0 25.6 4.7 10.7 129 130 A V H < S- 0 0 15 -4,-1.8 3,-0.4 -5,-0.1 -3,-0.2 0.793 86.4-166.3 -96.3 -34.1 21.9 4.2 9.9 130 131 A G < - 0 0 26 -4,-2.7 -1,-0.1 -5,-0.2 -2,-0.1 -0.188 31.4 -94.7 75.1-172.2 21.9 4.2 6.1 131 132 A R S S+ 0 0 131 1,-0.1 -1,-0.2 5,-0.1 -5,-0.0 -0.031 86.7 106.7-136.3 32.0 18.8 4.5 3.8 132 133 A K S S+ 0 0 199 -3,-0.4 2,-0.3 4,-0.0 -2,-0.1 0.436 76.5 51.0 -94.4 -2.4 18.0 0.9 3.0 133 134 A E S > S- 0 0 89 -3,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.963 82.3-120.1-134.8 154.8 14.9 0.7 5.2 134 135 A D H > S+ 0 0 31 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.818 110.7 60.3 -66.1 -29.6 11.8 2.8 5.6 135 136 A W H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 104.4 50.6 -64.0 -37.8 12.5 3.5 9.3 136 137 A C H > S+ 0 0 3 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.928 110.7 48.9 -61.2 -46.7 15.8 5.2 8.3 137 138 A L H X S+ 0 0 54 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.879 111.7 48.5 -64.9 -40.7 14.0 7.4 5.7 138 139 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.904 110.7 51.1 -64.5 -41.6 11.3 8.5 8.2 139 140 A M H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.891 107.8 53.0 -65.7 -37.4 13.9 9.3 10.9 140 141 A E H X S+ 0 0 63 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.936 114.4 41.3 -59.1 -48.0 15.9 11.4 8.4 141 142 A K H X>S+ 0 0 71 -4,-1.8 4,-0.6 1,-0.2 5,-0.5 0.853 111.9 56.8 -71.4 -34.3 12.8 13.4 7.5 142 143 A W H ><5S+ 0 0 8 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.926 101.9 55.6 -59.2 -46.2 11.7 13.6 11.1 143 144 A M H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.763 96.7 65.6 -61.3 -25.4 15.0 15.2 12.2 144 145 A A H 3<5S- 0 0 48 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.763 87.1-155.0 -67.9 -24.4 14.4 18.0 9.6 145 146 A H T <<5 + 0 0 44 -3,-1.6 2,-0.7 -4,-0.6 -3,-0.1 0.895 40.1 146.5 44.9 46.3 11.4 19.1 11.7 146 147 A E < - 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0 0 12 -4,-1.2 2,-1.1 -5,-0.9 -4,-0.2 0.991 68.0-148.2 66.1 65.8 12.3 -2.8 33.9 243 244 A D > - 0 0 30 -6,-2.1 4,-1.8 1,-0.2 -1,-0.2 -0.525 17.1-176.9 -67.1 97.4 14.5 -1.1 31.3 244 245 A E H > S+ 0 0 53 -2,-1.1 4,-2.3 -3,-0.2 5,-0.2 0.870 77.9 57.0 -64.6 -38.3 16.6 1.3 33.5 245 246 A K H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 109.4 44.4 -64.6 -44.1 18.4 2.8 30.5 246 247 A R H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.883 112.3 52.2 -62.8 -42.6 15.2 3.8 28.7 247 248 A M H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 5,-0.4 0.891 110.7 48.7 -65.0 -34.3 13.7 5.2 31.9 248 249 A R H X S+ 0 0 61 -4,-2.3 4,-2.0 3,-0.2 5,-0.2 0.904 111.8 49.3 -71.1 -42.2 16.8 7.3 32.5 249 250 A R H X S+ 0 0 13 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.991 119.5 34.2 -58.1 -60.9 16.8 8.6 29.0 250 251 A I H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.848 121.7 46.2 -72.3 -33.4 13.2 9.7 28.8 251 252 A T H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.4 5,-0.3 0.943 114.1 48.6 -70.4 -44.8 12.8 10.7 32.4 252 253 A G H < S+ 0 0 1 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.823 124.1 29.9 -63.3 -34.6 16.1 12.7 32.4 253 254 A M H < S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.746 135.2 15.9 -92.9 -29.7 15.3 14.6 29.2 254 255 A M H >X S+ 0 0 1 -4,-1.9 4,-1.1 -5,-0.2 3,-0.9 0.393 76.9 112.0-137.9 0.2 11.5 14.9 29.1 255 256 A V G >< S+ 0 0 5 -4,-1.5 3,-0.9 1,-0.3 4,-0.2 0.898 83.8 52.6 -56.7 -44.1 9.7 14.2 32.4 256 257 A D G 34 S+ 0 0 34 -5,-0.3 3,-0.5 1,-0.2 -1,-0.3 0.821 112.4 44.9 -60.4 -33.3 8.6 17.8 32.8 257 258 A K G <4 S+ 0 0 68 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.599 116.2 45.3 -87.0 -11.9 7.0 18.0 29.3 258 259 A C X< + 0 0 1 -4,-1.1 3,-2.6 -3,-0.9 -1,-0.2 0.109 64.3 126.3-120.5 20.1 5.2 14.6 29.5 259 260 A L T > + 0 0 39 -3,-0.5 3,-0.8 1,-0.3 4,-0.2 0.661 65.6 71.8 -63.0 -12.9 3.6 14.6 32.9 260 261 A G T >> S+ 0 0 29 1,-0.2 4,-1.8 -3,-0.2 3,-0.9 0.472 71.2 97.0 -74.2 -0.8 0.3 13.8 31.3 261 262 A A H <> S+ 0 0 0 -3,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.887 71.8 61.9 -56.5 -40.2 1.7 10.3 30.7 262 263 A K H <4 S+ 0 0 57 -3,-0.8 9,-0.3 29,-0.2 4,-0.2 0.832 106.8 44.2 -60.2 -31.6 0.1 8.9 33.8 263 264 A H H X4 S+ 0 0 122 -3,-0.9 3,-1.1 -4,-0.2 -1,-0.2 0.892 114.8 47.0 -79.7 -40.8 -3.4 9.6 32.4 264 265 A A H >< S+ 0 0 21 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.684 101.2 70.5 -71.2 -18.2 -2.7 8.3 28.9 265 266 A Y G >X S+ 0 0 0 -4,-1.7 3,-3.0 -5,-0.2 4,-2.1 0.676 71.5 89.7 -71.9 -17.5 -1.1 5.3 30.6 266 267 A K G <4 S+ 0 0 140 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.723 75.1 67.0 -56.7 -23.0 -4.6 4.1 31.7 267 268 A I G <4 S+ 0 0 118 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.711 111.5 34.2 -69.6 -18.9 -4.9 2.2 28.4 268 269 A Y T <4 S- 0 0 67 -3,-3.0 2,-0.3 1,-0.3 -2,-0.2 0.773 124.4 -95.7-101.9 -37.1 -2.0 -0.1 29.7 269 270 A G < - 0 0 32 -4,-2.1 2,-0.6 4,-0.0 -1,-0.3 -0.961 68.0 -21.6 161.7-138.1 -2.9 -0.1 33.4 270 271 A D > - 0 0 81 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.939 49.4-156.1-107.1 115.2 -1.7 1.9 36.5 271 272 A M H > S+ 0 0 3 -2,-0.6 4,-2.6 -9,-0.3 5,-0.3 0.913 92.1 51.4 -60.8 -45.8 1.6 3.4 35.8 272 273 A G H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 112.4 46.1 -54.2 -50.4 2.5 3.6 39.5 273 274 A T H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 112.9 50.3 -59.9 -44.2 1.7 -0.0 40.1 274 275 A D H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.888 110.3 47.9 -64.4 -42.0 3.6 -1.1 37.0 275 276 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.898 109.0 56.8 -63.9 -38.2 6.8 0.8 37.9 276 277 A E H < S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.928 113.8 38.2 -56.5 -47.0 6.5 -0.7 41.4 277 278 A R H < S+ 0 0 155 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 119.7 43.1 -71.7 -45.5 6.5 -4.2 40.0 278 279 A C H < S+ 0 0 28 -4,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.703 106.8 60.1 -84.8 -22.0 9.0 -3.9 37.2 279 280 A F S < S- 0 0 12 -4,-2.1 -37,-0.1 -5,-0.2 -36,-0.1 -0.778 84.6-104.2-111.1 152.6 11.8 -1.8 38.8 280 281 A D > - 0 0 89 -2,-0.3 4,-2.6 -38,-0.1 -1,-0.1 -0.009 40.2 -89.5 -72.8 177.0 13.9 -2.5 41.9 281 282 A K T 4 S+ 0 0 198 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.771 123.8 39.1 -57.1 -35.9 13.7 -1.2 45.4 282 283 A R T > S+ 0 0 69 2,-0.1 4,-0.9 3,-0.1 -1,-0.2 0.942 119.8 40.5 -80.0 -55.6 16.1 1.8 44.7 283 284 A M H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 105.4 64.0 -65.5 -41.7 15.0 2.9 41.2 284 285 A A H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.896 101.1 46.7 -57.2 -49.6 11.2 2.5 41.5 285 286 A P H > S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.882 112.0 54.2 -62.4 -33.3 10.6 5.1 44.2 286 287 A I H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.960 111.6 43.2 -61.3 -51.0 12.7 7.5 42.2 287 288 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.931 112.4 51.8 -62.8 -46.3 10.7 7.0 39.0 288 289 A R H X>S+ 0 0 48 -4,-2.8 5,-2.2 1,-0.2 4,-0.5 0.855 110.5 50.2 -59.9 -35.8 7.3 7.2 40.8 289 290 A T H ><5S+ 0 0 4 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.970 112.8 45.1 -63.2 -53.0 8.4 10.5 42.4 290 291 A L H 3<5S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.829 116.7 44.7 -62.8 -34.2 9.5 12.0 39.1 291 292 A W H 3<5S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 -29,-0.2 0.459 110.1-122.7 -92.5 -0.7 6.4 10.8 37.2 292 293 A R T <<5S+ 0 0 113 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.904 74.8 120.2 61.4 47.6 4.1 11.9 40.0 293 294 A V < 0 0 22 -5,-2.2 -4,-0.1 -6,-0.1 -1,-0.1 -0.310 360.0 360.0-135.2 54.5 2.5 8.6 40.6 294 295 A K 0 0 153 -6,-0.2 -1,-0.1 -5,-0.1 -5,-0.1 0.663 360.0 360.0 -65.2 360.0 3.3 7.7 44.3