==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 09-MAY-11 2LCU . COMPND 2 MOLECULE: BC28.1; . SOURCE 2 ORGANISM_SCIENTIFIC: BABESIA CANIS; . AUTHOR C.ROUMESTAND,S.DELBECQ,Y.YANG . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 70.4 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 . 6 2.7 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 . 1 0.4 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 . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 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 . 3 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 1 A S 0 0 170 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.1 24.9 36.9 24.3 2 2 A S - 0 0 125 1,-0.1 2,-0.3 3,-0.0 0, 0.0 0.865 360.0 -39.4 -75.9 -34.1 22.2 37.7 26.8 3 3 A G S S- 0 0 54 2,-0.0 2,-0.8 0, 0.0 -1,-0.1 -0.828 87.6 -42.2-164.5-162.0 22.4 34.5 28.7 4 4 A I + 0 0 184 -2,-0.3 2,-0.5 -3,-0.1 -2,-0.0 -0.789 65.4 174.5 -84.2 110.0 22.7 30.8 28.5 5 5 A E + 0 0 181 -2,-0.8 -2,-0.0 1,-0.1 -3,-0.0 -0.969 19.3 131.1-130.2 120.6 20.5 30.0 25.5 6 6 A G S S- 0 0 68 -2,-0.5 2,-0.3 0, 0.0 -1,-0.1 0.334 72.5 -49.5-122.8 -98.5 20.1 26.7 23.9 7 7 A C - 0 0 102 2,-0.1 2,-0.9 -2,-0.0 -2,-0.0 -0.866 44.0-145.3-154.1 108.5 16.7 25.3 23.2 8 8 A T + 0 0 149 -2,-0.3 2,-0.3 2,-0.0 -3,-0.0 -0.699 39.0 150.1 -81.2 105.8 14.0 25.2 25.8 9 9 A E - 0 0 159 -2,-0.9 2,-0.3 0, 0.0 -2,-0.1 -0.933 46.8-110.0-134.1 159.2 12.0 22.1 25.2 10 10 A D - 0 0 132 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.628 17.2-146.7 -87.5 145.8 10.0 19.7 27.4 11 11 A E S S+ 0 0 190 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.627 77.1 62.8 -89.3 -13.5 11.4 16.2 27.9 12 12 A K S S- 0 0 164 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.729 74.0-134.2-110.8 158.3 8.1 14.5 28.0 13 13 A R - 0 0 218 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.959 20.3-178.5-112.9 110.1 5.3 14.1 25.6 14 14 A D + 0 0 155 -2,-0.6 2,-0.9 1,-0.1 -1,-0.2 0.936 64.3 74.0 -74.1 -48.5 2.1 14.8 27.2 15 15 A S - 0 0 87 1,-0.0 2,-0.8 2,-0.0 -1,-0.1 -0.556 58.6-179.4 -76.1 102.5 -0.2 14.1 24.3 16 16 A V - 0 0 107 -2,-0.9 2,-1.0 2,-0.0 -1,-0.0 -0.902 18.9-149.3-103.0 100.8 -0.4 10.4 23.7 17 17 A V - 0 0 142 -2,-0.8 2,-0.2 3,-0.0 -2,-0.0 -0.638 18.7-158.5 -74.1 102.9 -2.6 10.0 20.8 18 18 A E - 0 0 162 -2,-1.0 2,-0.8 1,-0.1 -2,-0.0 -0.531 31.0 -89.4 -83.9 153.6 -4.2 6.7 21.4 19 19 A G - 0 0 85 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.502 44.5-152.2 -65.8 103.7 -5.8 4.5 18.7 20 20 A A - 0 0 86 -2,-0.8 2,-0.7 1,-0.0 -1,-0.1 -0.719 4.7-143.5 -84.3 112.7 -9.3 5.7 18.7 21 21 A T - 0 0 130 -2,-0.7 2,-0.6 1,-0.1 -1,-0.0 -0.687 22.7-125.6 -78.8 116.5 -11.5 3.0 17.5 22 22 A S - 0 0 95 -2,-0.7 2,-0.8 1,-0.1 3,-0.1 -0.550 12.7-144.4 -69.2 111.1 -14.2 4.8 15.5 23 23 A V S S+ 0 0 141 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 -0.752 84.6 6.6 -77.5 110.5 -17.6 3.9 16.8 24 24 A E S S- 0 0 172 -2,-0.8 -1,-0.2 2,-0.0 2,-0.0 0.799 90.6-126.4 75.0 110.0 -19.6 3.8 13.5 25 25 A A - 0 0 35 1,-0.2 2,-0.0 -3,-0.1 -2,-0.0 -0.265 27.2 -96.9 -77.3 170.3 -17.4 4.1 10.4 26 26 A S > - 0 0 49 132,-0.1 4,-2.0 1,-0.1 132,-0.2 -0.240 38.0 -98.7 -82.3 177.6 -17.9 6.7 7.8 27 27 A L H > S+ 0 0 41 130,-1.5 4,-2.7 1,-0.2 5,-0.3 0.870 120.6 59.3 -69.1 -31.2 -19.7 6.0 4.5 28 28 A K H > S+ 0 0 6 129,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.927 112.1 37.9 -64.3 -46.6 -16.4 5.5 2.7 29 29 A E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.815 113.4 59.3 -74.7 -27.9 -15.4 2.7 4.9 30 30 A Q H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.958 112.2 36.7 -66.2 -49.8 -18.9 1.4 5.1 31 31 A I H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.789 116.1 54.5 -75.4 -26.4 -19.2 0.8 1.4 32 32 A D H X S+ 0 0 29 -4,-1.4 4,-2.7 -5,-0.3 -1,-0.2 0.861 104.6 54.5 -76.1 -29.6 -15.7 -0.2 1.1 33 33 A W H X S+ 0 0 96 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.870 104.9 54.1 -69.1 -38.8 -16.3 -2.8 3.7 34 34 A L H X S+ 0 0 5 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.927 112.6 43.3 -58.5 -44.4 -19.2 -4.1 1.6 35 35 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.892 111.9 55.6 -67.3 -39.4 -16.7 -4.4 -1.2 36 36 A E H < S+ 0 0 109 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.848 104.6 52.2 -61.1 -40.3 -14.1 -5.9 1.2 37 37 A R H >< S+ 0 0 47 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.924 113.2 43.9 -65.6 -41.4 -16.4 -8.6 2.2 38 38 A Y H 3< S+ 0 0 8 -4,-1.6 59,-2.5 1,-0.3 -2,-0.2 0.851 115.0 50.3 -69.2 -31.9 -17.0 -9.6 -1.4 39 39 A S T 3< S+ 0 0 26 -4,-2.3 2,-0.6 57,-0.2 -1,-0.3 0.133 91.2 102.3 -93.3 19.0 -13.3 -9.3 -2.1 40 40 A A < - 0 0 38 -3,-1.2 2,-0.4 -5,-0.1 58,-0.2 -0.912 62.4-146.1-109.6 125.3 -12.4 -11.5 0.8 41 41 A D + 0 0 83 -2,-0.6 56,-0.2 56,-0.1 3,-0.1 -0.743 21.5 171.6 -84.9 130.7 -11.4 -15.1 0.3 42 42 A L > + 0 0 22 -2,-0.4 3,-2.1 54,-0.3 -1,-0.1 -0.035 34.1 127.3-131.4 33.3 -12.4 -17.3 3.2 43 43 A T T 3 + 0 0 108 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.632 60.3 80.8 -67.3 -11.9 -11.6 -20.6 1.7 44 44 A N T 3 S+ 0 0 163 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.617 85.4 73.1 -67.1 -12.9 -9.6 -21.1 5.0 45 45 A K S < S- 0 0 112 -3,-2.1 2,-1.0 2,-0.0 -3,-0.1 -0.918 83.7-141.0-104.5 123.2 -13.1 -22.0 6.2 46 46 A D - 0 0 132 -2,-0.5 2,-1.9 1,-0.1 -2,-0.1 -0.792 18.2-150.0 -82.3 108.6 -14.5 -25.3 5.1 47 47 A T - 0 0 37 -2,-1.0 2,-1.6 -4,-0.1 3,-0.3 -0.566 17.0-176.7 -88.7 79.0 -18.0 -24.3 4.6 48 48 A S S S- 0 0 91 -2,-1.9 -1,-0.1 1,-0.2 -2,-0.1 -0.636 70.4 -47.8 -79.6 87.0 -19.8 -27.5 5.4 49 49 A K - 0 0 155 -2,-1.6 2,-0.6 1,-0.2 -1,-0.2 0.950 65.7-154.3 46.0 77.2 -23.4 -26.4 4.7 50 50 A W > - 0 0 46 -3,-0.3 2,-1.3 1,-0.1 3,-0.6 -0.716 5.2-149.1 -72.5 120.3 -23.7 -23.1 6.4 51 51 A N T 3> + 0 0 88 -2,-0.6 4,-0.9 1,-0.2 -1,-0.1 -0.413 61.2 118.8 -93.0 61.7 -27.4 -22.7 7.1 52 52 A T H 3> S+ 0 0 2 -2,-1.3 4,-2.9 2,-0.2 5,-0.3 0.897 76.2 48.8 -83.3 -46.0 -27.4 -19.0 6.8 53 53 A D H <4 S+ 0 0 38 -3,-0.6 4,-0.4 1,-0.2 -2,-0.1 0.735 113.9 47.4 -66.7 -26.1 -29.8 -19.1 3.9 54 54 A E H > S+ 0 0 83 2,-0.2 4,-1.0 -4,-0.1 -1,-0.2 0.865 111.7 49.2 -83.3 -37.3 -32.1 -21.4 5.7 55 55 A K H X S+ 0 0 110 -4,-0.9 4,-2.3 1,-0.2 3,-0.5 0.903 112.7 47.1 -70.1 -40.3 -32.0 -19.5 8.9 56 56 A V H X S+ 0 0 11 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.706 103.2 64.4 -75.3 -18.5 -32.8 -16.2 7.2 57 57 A K H 4 S+ 0 0 71 -4,-0.4 4,-0.3 -5,-0.3 -1,-0.2 0.817 110.9 37.5 -71.6 -27.8 -35.5 -18.0 5.3 58 58 A E H < S+ 0 0 157 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.846 128.7 33.7 -87.7 -37.4 -37.2 -18.5 8.7 59 59 A L H < S+ 0 0 62 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.704 130.3 29.6 -92.9 -20.9 -36.2 -15.1 10.0 60 60 A L S < S- 0 0 5 -4,-2.9 -3,-0.2 1,-0.3 3,-0.2 0.261 117.2 -96.1-126.8 10.2 -36.3 -12.8 6.9 61 61 A N > - 0 0 70 -4,-0.3 3,-1.7 -5,-0.2 -1,-0.3 -0.061 43.1 -74.3 90.4 168.4 -39.0 -14.7 4.9 62 62 A E G > S+ 0 0 116 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.685 123.0 76.3 -73.5 -13.7 -38.8 -17.3 2.1 63 63 A K G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.586 82.0 69.8 -71.4 -9.2 -37.7 -14.5 -0.2 64 64 A A G X + 0 0 4 -3,-1.7 3,-0.6 -8,-0.2 -1,-0.3 0.207 68.8 141.1 -94.1 12.3 -34.3 -14.7 1.5 65 65 A V T < S+ 0 0 75 -3,-1.4 -11,-0.1 1,-0.3 5,-0.1 -0.373 73.3 11.8 -59.9 126.5 -33.6 -18.1 -0.1 66 66 A G T 3> S+ 0 0 20 -2,-0.1 4,-1.7 -13,-0.1 -1,-0.3 0.957 80.7 171.6 67.4 54.3 -30.0 -18.3 -1.1 67 67 A I H <> + 0 0 3 -3,-0.6 4,-3.0 2,-0.2 5,-0.1 0.905 68.5 50.6 -65.7 -43.6 -29.0 -15.2 0.9 68 68 A E H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.904 109.3 51.9 -66.7 -37.0 -25.2 -15.4 0.5 69 69 A S H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 113.4 45.3 -63.4 -38.1 -25.4 -15.9 -3.2 70 70 A R H X S+ 0 0 66 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.912 111.7 53.5 -69.0 -42.6 -27.7 -12.8 -3.3 71 71 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.911 112.2 42.1 -61.8 -44.4 -25.3 -10.9 -1.0 72 72 A L H X S+ 0 0 16 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.809 113.2 54.1 -77.8 -24.6 -22.3 -11.5 -3.0 73 73 A A H X S+ 0 0 52 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.920 113.3 41.9 -70.1 -43.0 -24.2 -10.8 -6.2 74 74 A I H X S+ 0 0 14 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.875 115.2 50.5 -72.4 -35.3 -25.4 -7.5 -4.9 75 75 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.870 108.5 53.0 -68.9 -36.9 -21.9 -6.8 -3.5 76 76 A K H X S+ 0 0 99 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.898 107.3 52.3 -59.2 -43.6 -20.5 -7.7 -6.9 77 77 A E H X S+ 0 0 46 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.915 112.7 44.4 -59.5 -43.2 -22.9 -5.1 -8.4 78 78 A F H X S+ 0 0 14 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.840 110.6 54.1 -72.1 -31.8 -21.6 -2.6 -6.0 79 79 A H H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 105.1 54.9 -67.2 -39.7 -18.0 -3.7 -6.6 80 80 A K H < S+ 0 0 111 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.893 115.9 38.7 -56.0 -44.3 -18.6 -3.1 -10.3 81 81 A L H >X S+ 0 0 40 -4,-1.6 4,-2.3 -5,-0.2 3,-1.0 0.902 113.2 53.9 -74.8 -41.8 -19.7 0.4 -9.4 82 82 A K H 3X S+ 0 0 10 -4,-3.4 4,-2.2 1,-0.3 -2,-0.2 0.765 101.3 60.9 -68.3 -25.0 -17.0 1.0 -6.7 83 83 A S H 3< S+ 0 0 12 -4,-2.1 6,-0.4 2,-0.2 -1,-0.3 0.778 111.8 39.1 -72.0 -25.0 -14.3 0.1 -9.1 84 84 A V H <4 S+ 0 0 82 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.800 120.2 45.8 -87.5 -35.2 -15.4 3.0 -11.3 85 85 A L H < S+ 0 0 19 -4,-2.3 80,-3.1 79,-0.1 2,-0.4 0.688 108.5 61.5 -84.7 -20.8 -16.1 5.2 -8.3 86 86 A C B >< S-A 164 0A 2 -4,-2.2 3,-1.2 78,-0.3 78,-0.3 -0.917 87.5-114.6-114.1 136.5 -12.9 4.5 -6.4 87 87 A T T 3 S+ 0 0 70 76,-1.8 3,-0.1 -2,-0.4 -3,-0.1 -0.409 95.5 8.8 -65.5 132.2 -9.4 5.2 -7.7 88 88 A G T 3 S+ 0 0 84 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.647 90.9 135.4 76.4 16.2 -7.2 2.1 -8.4 89 89 A V < - 0 0 40 -3,-1.2 -1,-0.2 -6,-0.4 2,-0.2 -0.869 47.2-139.9-105.0 127.4 -10.0 -0.4 -7.9 90 90 A N - 0 0 102 -2,-0.5 -6,-0.1 1,-0.1 -8,-0.0 -0.518 12.3-131.3 -82.6 151.4 -10.3 -3.3 -10.4 91 91 A E S S+ 0 0 142 1,-0.2 -1,-0.1 -2,-0.2 -8,-0.1 0.538 94.2 50.0 -81.8 -7.5 -13.7 -4.4 -11.5 92 92 A T S S- 0 0 90 -9,-0.1 -1,-0.2 -13,-0.1 -2,-0.1 -0.906 76.4-151.7-137.0 107.8 -13.0 -8.0 -10.9 93 93 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -53,-0.1 -0.322 9.6-150.1 -73.5 159.5 -11.6 -9.2 -7.6 94 94 A A S S+ 0 0 97 1,-0.2 2,-0.9 -55,-0.1 -54,-0.1 0.764 89.9 59.9 -98.5 -37.6 -9.4 -12.3 -7.3 95 95 A H S S+ 0 0 113 -56,-0.2 2,-0.5 -54,-0.1 -1,-0.2 -0.863 74.6 179.6 -93.5 105.9 -10.5 -13.1 -3.8 96 96 A V - 0 0 64 -2,-0.9 -54,-0.3 -57,-0.1 -57,-0.2 -0.974 22.7-129.9-113.3 126.9 -14.2 -13.6 -4.1 97 97 A A + 0 0 4 -59,-2.5 -56,-0.1 -2,-0.5 3,-0.1 -0.433 25.2 174.9 -72.9 146.1 -16.3 -14.4 -1.0 98 98 A N + 0 0 104 1,-0.2 2,-0.4 -58,-0.2 -1,-0.1 0.577 60.6 53.3-120.4 -26.5 -18.7 -17.4 -1.2 99 99 A R - 0 0 51 -31,-0.0 2,-0.4 -27,-0.0 -1,-0.2 -0.915 50.0-170.9-127.1 139.3 -20.0 -17.6 2.4 100 100 A V - 0 0 1 -2,-0.4 -32,-0.1 -3,-0.1 -48,-0.1 -0.997 20.0-145.4-122.4 124.6 -21.6 -15.2 4.9 101 101 A S > - 0 0 27 -2,-0.4 4,-2.7 1,-0.1 3,-0.4 -0.493 28.1-109.3 -84.7 159.9 -22.0 -16.4 8.4 102 102 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.898 124.1 52.6 -52.3 -39.5 -25.1 -15.4 10.6 103 103 A G H > S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 5,-0.1 0.832 111.7 44.3 -66.1 -33.1 -22.7 -13.3 12.6 104 104 A D H >> S+ 0 0 40 -3,-0.4 4,-3.1 1,-0.2 3,-0.5 0.854 105.9 62.7 -78.0 -36.5 -21.4 -11.6 9.4 105 105 A A H 3X S+ 0 0 3 -4,-2.7 4,-3.5 1,-0.3 5,-0.3 0.849 95.5 59.0 -58.9 -37.8 -24.9 -11.2 8.1 106 106 A I H 3X S+ 0 0 85 -4,-1.5 4,-1.0 1,-0.2 -1,-0.3 0.885 113.6 38.1 -63.4 -35.3 -25.8 -8.9 11.0 107 107 A S H > -B 139 0B 58 4,-0.9 3,-2.2 -2,-0.8 4,-1.0 -0.693 39.8-107.5-108.6 163.4 -23.8 31.2 -10.3 136 136 A E T 34 S+ 0 0 200 1,-0.3 -2,-0.1 -2,-0.3 -1,-0.1 0.585 114.0 70.5 -62.0 -13.9 -23.3 34.7 -9.1 137 137 A D T 34 S- 0 0 123 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.479 125.2 -98.3 -85.5 -1.0 -21.2 33.3 -6.3 138 138 A G T <4 + 0 0 72 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.789 69.5 164.4 86.1 32.3 -18.5 32.4 -8.7 139 139 A T B < -B 135 0B 24 -4,-1.0 -4,-0.9 -6,-0.1 -1,-0.3 -0.676 27.4-148.7 -89.6 134.1 -19.7 28.9 -9.0 140 140 A K - 0 0 129 -2,-0.4 2,-0.2 -6,-0.2 -5,-0.0 -0.557 38.3 -84.6 -90.4 162.7 -18.6 26.7 -11.8 141 141 A V - 0 0 61 -2,-0.2 2,-1.5 1,-0.1 3,-0.3 -0.502 43.9-121.0 -67.3 135.0 -20.8 24.0 -13.2 142 142 A I + 0 0 4 -13,-0.7 -1,-0.1 -10,-0.6 -10,-0.1 -0.681 59.7 140.6 -84.6 92.3 -20.4 20.9 -11.1 143 143 A Q + 0 0 59 -2,-1.5 26,-2.5 26,-0.1 27,-0.3 0.610 53.8 57.4-106.1 -19.6 -19.2 18.5 -13.7 144 144 A N B > S-C 168 0C 50 24,-0.3 3,-1.1 -3,-0.3 6,-0.3 -0.773 75.1-128.8-115.3 158.0 -16.6 16.6 -11.8 145 145 A I T 3 S+ 0 0 0 22,-1.6 9,-0.2 -2,-0.3 -1,-0.1 0.822 112.6 58.6 -70.7 -28.3 -16.7 14.5 -8.6 146 146 A K T 3 S+ 0 0 101 21,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.066 83.8 122.0 -88.8 28.1 -13.7 16.6 -7.4 147 147 A D S <> S- 0 0 12 -3,-1.1 4,-3.7 1,-0.1 5,-0.3 -0.605 79.9-101.8 -89.6 155.8 -15.7 19.7 -7.9 148 148 A D H > S+ 0 0 115 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.813 118.8 37.9 -46.2 -48.0 -16.2 22.0 -5.0 149 149 A R H > S+ 0 0 126 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.876 120.2 45.5 -79.4 -34.3 -19.7 21.0 -4.1 150 150 A T H >> S+ 0 0 0 -6,-0.3 4,-2.7 -3,-0.3 3,-0.7 0.947 112.2 51.2 -72.0 -46.2 -19.2 17.3 -4.8 151 151 A N H 3X S+ 0 0 47 -4,-3.7 4,-3.4 1,-0.3 5,-0.3 0.884 104.7 58.8 -59.9 -39.7 -16.0 17.2 -2.9 152 152 A T H 3X S+ 0 0 89 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.3 0.842 110.6 41.3 -62.1 -34.3 -17.6 18.8 0.1 153 153 A W H S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.5 0.936 111.2 47.9 -64.4 -46.0 -17.7 13.3 -0.3 155 155 A V H ><5S+ 0 0 69 -4,-3.4 3,-1.2 1,-0.2 -1,-0.2 0.898 110.7 52.4 -62.1 -39.4 -15.1 14.5 2.2 156 156 A A H 3<5S+ 0 0 80 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.858 107.3 52.8 -65.4 -35.7 -17.8 14.9 4.9 157 157 A H T 3<5S- 0 0 40 -4,-1.9 -130,-1.5 -3,-0.1 -129,-1.3 0.492 128.6 -93.8 -80.9 -3.4 -19.0 11.4 4.3 158 158 A G T < 5S+ 0 0 20 -3,-1.2 2,-0.7 -4,-0.5 -3,-0.2 0.283 78.4 141.3 112.0 -10.8 -15.5 9.9 4.7 159 159 A F < - 0 0 4 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.535 40.1-152.3 -71.4 109.6 -14.4 9.9 1.1 160 160 A K >> - 0 0 153 -2,-0.7 4,-1.6 -3,-0.1 3,-1.3 -0.611 24.2-114.9 -79.7 148.7 -10.9 10.9 1.1 161 161 A V T 34 S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.866 116.5 52.9 -55.5 -39.8 -9.8 12.5 -2.2 162 162 A A T 34 S+ 0 0 70 1,-0.2 -1,-0.3 -76,-0.1 -75,-0.2 0.753 108.0 53.4 -67.3 -23.8 -7.4 9.7 -3.0 163 163 A E T <4 S+ 0 0 77 -3,-1.3 -76,-1.8 -77,-0.1 2,-0.3 0.880 94.7 75.9 -79.9 -39.4 -10.2 7.2 -2.6 164 164 A L B < S-A 86 0A 2 -4,-1.6 2,-0.4 -78,-0.3 -78,-0.3 -0.574 75.2-139.7 -85.2 132.0 -12.7 8.8 -4.9 165 165 A N - 0 0 52 -80,-3.1 2,-0.9 -2,-0.3 -20,-0.1 -0.737 25.2-110.3 -93.0 137.8 -12.1 8.4 -8.7 166 166 A D + 0 0 58 -2,-0.4 2,-0.3 -21,-0.1 -80,-0.1 -0.561 54.6 146.9 -82.2 102.7 -12.7 11.3 -10.9 167 167 A V - 0 0 25 -2,-0.9 -22,-1.6 -82,-0.1 -21,-0.2 -0.798 53.8 -81.3-120.8 166.2 -15.8 10.9 -13.0 168 168 A T B > -C 144 0C 55 -2,-0.3 4,-2.8 -24,-0.2 -24,-0.3 -0.472 30.0-133.3 -71.2 144.1 -18.4 13.3 -14.3 169 169 A L H > S+ 0 0 0 -26,-2.5 4,-2.6 1,-0.2 -25,-0.1 0.872 106.4 51.0 -64.9 -39.1 -21.1 14.4 -12.0 170 170 A E H > S+ 0 0 91 -27,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.817 111.6 46.7 -75.9 -26.1 -23.7 13.9 -14.6 171 171 A K H > S+ 0 0 129 -28,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 112.7 50.3 -75.4 -42.7 -22.5 10.4 -15.4 172 172 A L H X S+ 0 0 14 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.900 108.0 55.0 -57.8 -42.1 -22.3 9.6 -11.7 173 173 A A H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.894 108.9 47.0 -57.8 -43.0 -25.9 11.0 -11.4 174 174 A T H X S+ 0 0 86 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.940 114.0 46.9 -67.0 -44.2 -27.0 8.5 -14.1 175 175 A V H X S+ 0 0 48 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.886 114.3 46.2 -68.6 -38.1 -25.2 5.6 -12.4 176 176 A V H X S+ 0 0 9 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.870 111.6 52.5 -75.5 -31.0 -26.5 6.4 -9.0 177 177 A N H X S+ 0 0 72 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.917 110.5 46.2 -71.5 -39.4 -30.0 6.9 -10.2 178 178 A E H < S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 115.4 47.5 -72.5 -28.4 -30.2 3.6 -12.0 179 179 A L H >< S+ 0 0 14 -4,-1.6 3,-1.7 -5,-0.2 -2,-0.2 0.903 108.6 52.1 -78.3 -40.0 -28.7 1.8 -9.0 180 180 A V H 3< S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.785 116.4 42.5 -68.0 -23.3 -31.0 3.4 -6.4 181 181 A S T 3< S+ 0 0 69 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.3 0.229 83.8 135.3-103.6 13.0 -33.9 2.3 -8.6 182 182 A H <> - 0 0 47 -3,-1.7 4,-2.8 1,-0.1 5,-0.3 -0.477 52.7-142.4 -66.3 122.8 -32.4 -1.2 -9.3 183 183 A K H > S+ 0 0 178 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.907 97.1 41.2 -55.7 -50.4 -35.2 -3.7 -8.9 184 184 A D H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.879 114.4 54.0 -70.8 -34.3 -33.1 -6.5 -7.2 185 185 A M H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.950 111.0 44.0 -64.7 -49.8 -31.3 -4.0 -5.1 186 186 A I H X S+ 0 0 71 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.899 112.3 55.6 -63.9 -38.9 -34.5 -2.4 -3.7 187 187 A Y H X S+ 0 0 78 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.921 114.0 36.9 -60.5 -46.7 -35.9 -5.9 -3.2 188 188 A I H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.890 118.0 52.7 -76.7 -34.0 -33.1 -7.1 -1.1 189 189 A N H X S+ 0 0 7 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.901 109.8 46.0 -67.4 -41.4 -32.7 -3.7 0.6 190 190 A D H X S+ 0 0 79 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.853 112.2 52.3 -75.4 -28.9 -36.3 -3.5 1.7 191 191 A A H X S+ 0 0 7 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.907 112.3 45.1 -68.8 -41.3 -36.3 -7.0 2.9 192 192 A M H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.909 108.7 57.9 -65.2 -40.5 -33.2 -6.2 5.0 193 193 A K H X S+ 0 0 103 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.870 107.6 47.6 -56.1 -39.7 -35.0 -3.1 6.1 194 194 A Q H X S+ 0 0 87 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.941 113.8 46.3 -66.9 -46.4 -37.8 -5.2 7.4 195 195 A N H X S+ 0 0 3 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.901 113.1 48.3 -66.2 -40.5 -35.4 -7.6 9.1 196 196 A V H X S+ 0 0 19 -4,-3.4 4,-1.8 2,-0.2 -1,-0.2 0.833 113.4 48.1 -72.1 -29.2 -33.4 -4.8 10.7 197 197 A D H X S+ 0 0 81 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.936 113.5 47.1 -72.1 -45.6 -36.5 -3.0 11.8 198 198 A K H X S+ 0 0 77 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.900 112.9 50.0 -61.5 -43.2 -37.8 -6.3 13.3 199 199 A W H X S+ 0 0 44 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.858 109.7 49.8 -67.0 -35.9 -34.5 -6.9 14.9 200 200 A T H X S+ 0 0 78 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.893 112.6 46.6 -72.8 -35.0 -34.3 -3.5 16.4 201 201 A K H X S+ 0 0 124 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.827 115.2 48.2 -70.6 -29.6 -37.9 -3.9 17.8 202 202 A E H X S+ 0 0 37 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.883 109.0 53.1 -74.2 -39.4 -36.8 -7.3 19.0 203 203 A E H X S+ 0 0 115 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 110.1 47.2 -59.9 -46.9 -33.7 -5.8 20.5 204 204 A S H X S+ 0 0 65 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.845 110.9 52.1 -67.8 -32.4 -35.7 -3.2 22.4 205 205 A E H X S+ 0 0 127 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.933 111.9 46.3 -65.9 -44.4 -38.1 -6.0 23.6 206 206 A R H X S+ 0 0 124 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.857 110.9 52.8 -66.5 -35.2 -35.0 -8.0 24.8 207 207 A L H X S+ 0 0 119 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.951 113.7 42.3 -64.2 -47.8 -33.7 -4.9 26.5 208 208 A A H X S+ 0 0 54 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.913 114.4 53.0 -65.0 -40.4 -36.9 -4.3 28.3 209 209 A M H X>S+ 0 0 92 -4,-3.0 5,-2.6 1,-0.2 4,-2.0 0.879 110.7 45.5 -63.6 -40.4 -37.1 -8.1 29.0 210 210 A M H <5S+ 0 0 113 -4,-2.6 -1,-0.2 3,-0.2 6,-0.2 0.802 117.4 44.3 -77.2 -26.7 -33.7 -8.2 30.5 211 211 A A H <5S+ 0 0 79 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.904 127.8 26.6 -79.2 -45.8 -34.3 -5.1 32.6 212 212 A E H <5S+ 0 0 184 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.887 137.8 20.7 -86.0 -43.2 -37.7 -6.0 33.8 213 213 A Q T <5S+ 0 0 131 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.896 116.2 59.1 -96.8 -48.8 -37.8 -9.8 33.7 214 214 A G < - 0 0 17 -5,-2.6 2,-0.4 -6,-0.1 -4,-0.0 -0.128 66.8-141.2 -79.8 173.9 -34.2 -10.7 33.8 215 215 A I - 0 0 164 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.953 26.1-120.1-139.6 113.1 -31.5 -10.0 36.2 216 216 A S - 0 0 107 -2,-0.4 3,-0.0 -6,-0.2 -5,-0.0 -0.401 40.2-173.2 -59.6 108.3 -28.0 -9.3 34.9 217 217 A G - 0 0 55 -2,-0.5 2,-1.6 1,-0.1 -1,-0.1 0.049 44.3 -47.3 -88.3-159.3 -25.8 -12.0 36.4 218 218 A A S S+ 0 0 114 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.585 82.3 140.2 -79.2 86.9 -22.0 -12.4 36.3 219 219 A K + 0 0 180 -2,-1.6 3,-0.0 1,-0.1 -3,-0.0 -0.892 18.6 154.9-124.3 160.5 -21.3 -11.9 32.6 220 220 A G - 0 0 76 -2,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.216 65.3 -41.9-140.5 -78.8 -18.5 -10.2 30.8 221 221 A K - 0 0 187 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.948 44.4-139.4-162.5 140.0 -17.9 -11.4 27.3 222 222 A K 0 0 178 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.723 360.0 360.0 -99.5 152.8 -17.8 -14.8 25.7 223 223 A D 0 0 200 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.849 360.0 360.0 -91.8 360.0 -15.2 -15.6 23.1