==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 16-FEB-10 3LTJ . COMPND 2 MOLECULE: ALPHAREP-4; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC; . AUTHOR A.URVOAS,A.GUELLOUZ,M.GRAILLE,H.VAN TILBEURGH,M.DESMADRIL,P. . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 74.3 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 4 0 0 1 0 0 2 5 0 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 12 A H 0 0 171 0, 0.0 3,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0-148.9 22.5 -0.3 4.1 2 13 A H + 0 0 193 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.856 360.0 167.1 49.6 35.0 22.9 1.8 1.0 3 14 A H - 0 0 154 32,-0.1 2,-0.5 1,-0.0 -1,-0.2 -0.585 42.7-124.4 -80.5 137.8 19.3 2.6 1.8 4 15 A H - 0 0 175 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.0 -0.736 41.5-109.5 -74.1 124.7 17.5 5.5 0.1 5 16 A T - 0 0 23 -2,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.379 21.2-136.4 -64.1 126.2 16.2 7.5 3.0 6 17 A D >> - 0 0 65 -2,-0.2 4,-2.1 1,-0.2 3,-0.5 -0.756 11.3-154.4 -81.1 110.5 12.4 7.4 3.5 7 18 A P H 3> S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.827 91.6 54.5 -59.3 -34.8 11.5 11.0 4.2 8 19 A E H 3> S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.857 108.5 49.2 -67.7 -35.8 8.3 10.1 6.1 9 20 A K H <> S+ 0 0 93 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.910 112.6 46.5 -69.9 -42.3 10.4 7.9 8.4 10 21 A V H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.930 112.8 49.8 -65.5 -43.3 12.9 10.6 9.1 11 22 A E H X S+ 0 0 140 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.897 109.4 53.5 -61.0 -40.0 10.2 13.1 9.7 12 23 A M H X S+ 0 0 87 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.942 112.3 42.5 -58.8 -51.5 8.5 10.7 12.1 13 24 A Y H X S+ 0 0 65 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.885 110.5 55.8 -66.8 -38.4 11.6 10.3 14.2 14 25 A I H >< S+ 0 0 47 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.943 108.1 49.6 -57.7 -44.7 12.5 13.9 14.1 15 26 A K H >< S+ 0 0 163 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.876 103.4 60.3 -60.3 -37.7 9.1 14.7 15.5 16 27 A N H >< S+ 0 0 47 -4,-1.6 3,-1.3 1,-0.3 -1,-0.3 0.633 86.2 75.7 -68.1 -14.2 9.6 12.0 18.2 17 28 A L T << S+ 0 0 14 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.607 97.3 49.1 -68.4 -12.2 12.6 14.1 19.4 18 29 A Q T < S+ 0 0 131 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.267 85.3 126.8-107.0 7.6 10.0 16.4 20.9 19 30 A D < - 0 0 62 -3,-1.3 6,-0.1 2,-0.1 -3,-0.0 -0.278 67.3-126.2 -65.0 150.5 8.0 13.6 22.6 20 31 A D S S+ 0 0 158 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.804 90.2 83.0 -65.7 -28.9 7.3 13.9 26.3 21 32 A S > - 0 0 46 1,-0.2 4,-2.0 -5,-0.1 3,-0.2 -0.661 69.5-151.2 -84.1 126.4 8.8 10.5 27.0 22 33 A Y H > S+ 0 0 102 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.843 98.9 57.9 -59.1 -34.9 12.6 10.4 27.4 23 34 A Y H > S+ 0 0 130 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 106.3 46.9 -64.1 -42.7 12.5 6.8 26.0 24 35 A V H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 113.7 48.2 -66.8 -39.5 10.8 7.9 22.8 25 36 A R H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 112.9 48.4 -65.7 -43.5 13.3 10.8 22.4 26 37 A R H X S+ 0 0 75 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.939 112.4 48.1 -58.8 -52.8 16.2 8.4 23.0 27 38 A A H X S+ 0 0 24 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.846 110.1 53.2 -58.1 -37.2 14.9 5.8 20.6 28 39 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.922 109.2 47.8 -66.3 -44.5 14.4 8.5 17.9 29 40 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 113.3 49.0 -58.5 -47.0 17.9 9.7 18.3 30 41 A Y H X S+ 0 0 114 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.939 112.5 47.5 -57.8 -49.0 19.1 6.2 18.0 31 42 A A H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.904 110.5 51.9 -59.0 -43.8 17.0 5.5 14.9 32 43 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 5,-0.5 0.866 106.5 53.7 -65.2 -35.7 18.2 8.8 13.3 33 44 A G H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.2 47.8 -62.0 -40.9 21.8 7.8 13.8 34 45 A K H < S+ 0 0 94 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 108.4 53.1 -70.1 -37.5 21.2 4.5 12.1 35 46 A I H < S- 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.876 92.5-156.2 -64.7 -37.7 19.4 6.1 9.2 36 47 A G < + 0 0 33 -4,-1.9 2,-0.4 1,-0.2 -3,-0.1 0.623 33.5 150.7 75.6 16.2 22.4 8.4 8.7 37 48 A D > - 0 0 29 -5,-0.5 3,-2.2 1,-0.1 -1,-0.2 -0.676 48.3-138.2 -90.8 133.0 20.6 11.2 7.0 38 49 A E G > S+ 0 0 108 -2,-0.4 3,-1.4 1,-0.3 4,-0.5 0.631 95.8 78.7 -66.0 -13.1 21.8 14.8 7.4 39 50 A R G 3 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.758 91.5 57.4 -60.6 -22.3 18.3 16.1 7.7 40 51 A A G <> S+ 0 0 1 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.587 83.5 86.5 -84.1 -11.5 18.6 14.8 11.3 41 52 A V H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.938 89.5 42.0 -61.7 -53.8 21.6 16.9 12.2 42 53 A E H > S+ 0 0 108 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.918 116.1 49.6 -64.6 -41.1 20.1 20.1 13.3 43 54 A P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.917 112.9 48.1 -60.7 -39.6 17.3 18.3 15.3 44 55 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.850 104.3 59.0 -69.6 -35.3 20.0 16.2 16.9 45 56 A I H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.897 108.5 47.0 -58.3 -38.5 22.1 19.2 17.8 46 57 A K H >< S+ 0 0 117 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.908 107.9 53.9 -67.9 -42.1 19.1 20.4 19.7 47 58 A A H >< S+ 0 0 7 -4,-1.9 3,-1.8 1,-0.3 12,-0.2 0.701 92.0 74.7 -64.7 -18.3 18.6 17.0 21.4 48 59 A L T 3< S+ 0 0 11 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.648 98.4 47.7 -68.8 -13.7 22.2 17.3 22.5 49 60 A K T < S+ 0 0 160 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.215 84.3 140.6-104.4 8.8 20.8 19.9 25.0 50 61 A D < - 0 0 27 -3,-1.8 6,-0.2 1,-0.1 -3,-0.1 -0.169 61.2-124.7 -55.3 147.0 18.0 17.6 26.2 51 62 A E S S+ 0 0 146 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.794 95.3 75.5 -62.0 -28.4 17.2 17.7 29.9 52 63 A D S >> S- 0 0 34 1,-0.1 4,-2.0 -30,-0.0 3,-0.7 -0.774 72.3-151.3 -92.8 123.1 17.7 14.0 30.0 53 64 A A H 3> S+ 0 0 14 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.805 96.1 60.1 -62.5 -30.2 21.3 12.7 29.9 54 65 A W H 3> S+ 0 0 144 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.875 107.5 46.0 -66.2 -34.9 20.2 9.5 28.3 55 66 A V H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.906 110.9 52.2 -71.6 -43.8 18.8 11.4 25.4 56 67 A R H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.918 108.9 51.1 -58.0 -44.7 21.9 13.6 25.2 57 68 A R H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.924 111.5 46.9 -57.0 -47.9 24.1 10.5 25.0 58 69 A A H X S+ 0 0 8 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.854 110.2 53.3 -65.4 -36.0 22.0 9.0 22.2 59 70 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -12,-0.2 -1,-0.2 0.916 109.4 48.0 -65.5 -44.2 22.1 12.3 20.3 60 71 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 111.7 50.1 -61.9 -46.1 25.9 12.5 20.4 61 72 A D H X S+ 0 0 66 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.919 111.8 48.2 -55.3 -46.9 26.2 8.9 19.3 62 73 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.879 108.6 53.3 -64.6 -40.3 23.8 9.6 16.4 63 74 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 5,-0.5 0.882 108.0 51.6 -62.3 -38.5 25.7 12.7 15.3 64 75 A G H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.908 110.0 48.8 -61.8 -42.3 28.9 10.8 15.2 65 76 A Q H < S+ 0 0 92 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.842 109.4 51.3 -69.4 -34.3 27.3 8.1 13.0 66 77 A I H < S- 0 0 19 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.879 93.4-154.2 -70.3 -37.0 25.9 10.7 10.6 67 78 A G < + 0 0 34 -4,-1.9 2,-0.4 1,-0.2 -3,-0.1 0.617 32.5 156.0 77.1 15.7 29.3 12.2 10.3 68 79 A D > - 0 0 14 -5,-0.5 3,-2.1 1,-0.1 -1,-0.2 -0.615 43.5-139.2 -80.1 125.9 28.2 15.8 9.4 69 80 A E G > S+ 0 0 104 -2,-0.4 3,-1.4 1,-0.3 4,-0.5 0.631 94.8 78.2 -64.0 -12.9 30.7 18.4 10.3 70 81 A R G 3 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.759 88.9 60.6 -64.2 -21.3 28.0 20.8 11.5 71 82 A A G <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.2 5,-0.3 0.614 82.3 85.3 -77.9 -14.3 28.0 18.6 14.7 72 83 A V H <> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.952 90.1 42.2 -60.7 -55.6 31.6 19.4 15.5 73 84 A E H > S+ 0 0 99 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.934 117.0 48.1 -59.3 -45.3 31.2 22.6 17.5 74 85 A P H > S+ 0 0 22 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.870 112.6 49.0 -62.9 -33.9 28.1 21.4 19.4 75 86 A L H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.860 105.9 57.5 -71.7 -34.2 29.9 18.1 20.2 76 87 A I H >< S+ 0 0 26 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.922 107.4 47.7 -60.4 -41.2 32.9 20.1 21.4 77 88 A K H >< S+ 0 0 143 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.890 105.6 59.5 -63.8 -37.8 30.6 21.8 23.8 78 89 A A H >< S+ 0 0 7 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.682 86.9 74.9 -65.5 -18.5 29.2 18.4 24.9 79 90 A L T << S+ 0 0 15 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.621 97.9 49.3 -65.9 -11.3 32.8 17.4 25.9 80 91 A K T < S+ 0 0 176 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.259 82.3 135.0-109.1 10.2 32.0 19.7 28.9 81 92 A D < - 0 0 26 -3,-1.7 6,-0.2 1,-0.1 -3,-0.0 -0.238 63.7-125.6 -57.9 145.9 28.6 18.1 29.7 82 93 A E S S+ 0 0 147 4,-0.1 2,-0.6 5,-0.0 -1,-0.1 0.796 93.0 81.5 -62.9 -26.8 28.1 17.5 33.4 83 94 A D S >> S- 0 0 27 1,-0.2 4,-2.0 2,-0.0 3,-0.7 -0.714 72.6-149.9 -87.6 118.8 27.3 13.8 32.6 84 95 A G H 3> S+ 0 0 9 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.875 96.3 52.3 -53.6 -43.1 30.4 11.7 32.1 85 96 A W H 3> S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 106.2 54.0 -70.7 -25.7 28.7 9.3 29.6 86 97 A V H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.925 109.2 48.9 -67.1 -43.5 27.6 12.3 27.5 87 98 A R H X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.908 111.1 50.6 -59.7 -41.1 31.2 13.5 27.4 88 99 A Q H X S+ 0 0 45 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.913 111.4 47.9 -62.9 -43.6 32.3 9.9 26.4 89 100 A S H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.881 110.6 51.0 -66.9 -39.5 29.7 9.8 23.7 90 101 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -12,-0.2 -2,-0.2 0.913 109.9 50.4 -63.8 -43.3 30.8 13.2 22.4 91 102 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.936 112.3 46.5 -59.4 -47.9 34.4 12.2 22.3 92 103 A V H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 112.6 50.7 -60.4 -45.3 33.6 9.0 20.4 93 104 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.899 108.7 51.1 -59.4 -42.3 31.4 11.0 18.0 94 105 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 5,-0.5 0.872 108.2 52.9 -66.5 -36.1 34.2 13.5 17.3 95 106 A G H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.918 108.9 50.0 -58.6 -45.9 36.5 10.7 16.6 96 107 A Q H < S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 109.1 50.5 -62.9 -38.8 34.1 9.3 14.0 97 108 A I H < S- 0 0 22 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.871 93.5-152.2 -70.3 -36.2 33.7 12.6 12.3 98 109 A G < + 0 0 35 -4,-1.9 2,-0.5 1,-0.2 -3,-0.1 0.592 34.1 155.9 80.1 11.7 37.4 13.0 12.1 99 110 A D > - 0 0 17 -5,-0.5 3,-2.3 1,-0.1 -1,-0.2 -0.609 42.7-142.5 -79.4 123.2 37.5 16.8 12.1 100 111 A E G > S+ 0 0 131 -2,-0.5 3,-1.9 1,-0.3 4,-0.4 0.668 93.4 79.3 -57.3 -21.1 40.8 18.3 13.3 101 112 A R G 3 S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.768 88.8 59.1 -57.9 -23.0 38.9 21.1 15.0 102 113 A A G <> S+ 0 0 0 -3,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.578 81.6 88.6 -82.0 -9.4 38.2 18.5 17.8 103 114 A V H <> S+ 0 0 5 -3,-1.9 4,-2.2 2,-0.2 5,-0.2 0.926 87.3 43.2 -61.7 -52.2 41.9 17.8 18.5 104 115 A E H > S+ 0 0 86 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.942 116.5 47.8 -61.4 -46.9 42.6 20.5 21.2 105 116 A P H > S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.877 112.1 50.6 -60.5 -37.2 39.3 19.8 23.0 106 117 A L H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.862 105.1 56.2 -66.9 -37.0 40.0 16.0 22.9 107 118 A I H >< S+ 0 0 10 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.910 107.4 50.0 -61.5 -39.3 43.5 16.5 24.3 108 119 A K H >< S+ 0 0 133 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.893 104.8 57.2 -62.7 -39.3 41.8 18.3 27.2 109 120 A A H >< S+ 0 0 7 -4,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.702 88.1 76.1 -67.9 -18.4 39.4 15.4 27.6 110 121 A L T << S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.655 97.4 48.9 -62.6 -13.5 42.5 13.2 28.1 111 122 A K T < S+ 0 0 134 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.245 83.3 137.0-110.2 10.4 42.6 14.7 31.5 112 123 A D < - 0 0 26 -3,-1.9 6,-0.1 1,-0.1 -3,-0.0 -0.177 63.6-122.5 -57.2 149.1 38.9 14.1 32.3 113 124 A E S S+ 0 0 156 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.772 93.7 77.0 -63.0 -27.3 38.1 12.9 35.8 114 125 A D S >> S- 0 0 40 1,-0.1 4,-1.9 -30,-0.0 3,-0.8 -0.771 72.3-147.7 -96.7 126.6 36.4 9.8 34.4 115 126 A W H 3> S+ 0 0 100 -2,-0.5 4,-2.2 1,-0.3 5,-0.2 0.844 98.3 56.1 -59.1 -36.9 38.5 6.9 33.0 116 127 A F H 3> S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.799 106.3 50.4 -70.4 -28.3 35.9 6.0 30.3 117 128 A V H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.917 109.2 51.6 -70.4 -43.9 36.0 9.6 29.0 118 129 A R H X S+ 0 0 12 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.891 108.6 51.1 -59.9 -40.7 39.9 9.4 28.9 119 130 A I H X S+ 0 0 40 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.933 111.5 47.8 -60.5 -44.4 39.7 6.2 26.9 120 131 A A H X S+ 0 0 4 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.874 110.2 51.7 -66.4 -38.8 37.3 7.7 24.4 121 132 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -12,-0.2 -1,-0.2 0.931 111.2 47.7 -61.7 -45.9 39.5 10.8 24.0 122 133 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.946 113.2 48.0 -59.2 -50.4 42.6 8.7 23.3 123 134 A F H X S+ 0 0 106 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 111.8 49.3 -56.9 -47.2 40.7 6.5 20.8 124 135 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.872 109.2 52.0 -62.7 -38.6 39.3 9.6 19.1 125 136 A L H X>S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 5,-0.5 0.893 109.3 51.3 -65.7 -37.5 42.7 11.2 18.8 126 137 A G H <5S+ 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.906 110.3 48.8 -61.2 -42.3 44.0 8.0 17.3 127 138 A E H <5S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 109.2 50.7 -69.0 -40.2 41.2 8.0 14.7 128 139 A I H <5S- 0 0 28 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.895 95.1-152.7 -66.0 -38.3 41.7 11.6 13.7 129 140 A G T <5 + 0 0 33 -4,-2.0 2,-0.5 1,-0.2 -3,-0.1 0.658 33.5 155.6 81.6 17.3 45.4 10.8 13.3 130 141 A D > < - 0 0 36 -5,-0.5 3,-2.2 1,-0.1 -1,-0.2 -0.696 43.4-142.2 -85.7 122.2 46.8 14.3 14.0 131 142 A E G > S+ 0 0 86 -2,-0.5 3,-1.8 1,-0.3 4,-0.3 0.608 91.4 84.5 -56.0 -17.9 50.4 14.3 15.2 132 143 A R G 3 S+ 0 0 99 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.843 84.2 58.8 -51.9 -33.4 49.5 17.2 17.5 133 144 A A G <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.449 76.2 98.2 -83.2 2.1 48.3 14.5 20.0 134 145 A V H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.942 84.1 42.2 -58.5 -54.6 51.6 12.7 20.4 135 146 A E H > S+ 0 0 76 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.934 115.1 49.1 -63.8 -44.8 52.9 14.3 23.6 136 147 A P H > S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.906 113.6 47.5 -58.6 -40.8 49.5 14.2 25.4 137 148 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.894 108.1 55.5 -67.1 -38.9 49.1 10.5 24.5 138 149 A I H >< S+ 0 0 23 -4,-2.7 3,-1.4 -5,-0.2 -1,-0.2 0.933 107.9 48.9 -56.7 -46.2 52.7 9.8 25.6 139 150 A K H >< S+ 0 0 140 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.877 101.8 63.5 -60.7 -37.5 51.8 11.3 29.0 140 151 A A H >< S+ 0 0 9 -4,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.606 83.3 77.0 -65.6 -11.1 48.6 9.1 29.1 141 152 A L T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.6 38,-0.2 0.626 94.5 52.3 -69.3 -13.3 50.9 6.0 29.1 142 153 A K T < S+ 0 0 99 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.216 83.2 136.1-101.7 11.3 51.4 6.9 32.7 143 154 A D < - 0 0 23 -3,-1.5 6,-0.1 1,-0.1 -3,-0.0 -0.229 63.4-126.4 -61.1 148.3 47.6 7.1 33.4 144 155 A E S S+ 0 0 172 4,-0.1 2,-0.5 1,-0.0 -1,-0.1 0.819 94.2 77.0 -64.2 -27.1 46.4 5.4 36.6 145 156 A D S > S- 0 0 37 1,-0.1 4,-2.2 2,-0.0 3,-0.2 -0.743 71.4-152.2 -93.8 123.6 44.0 3.4 34.6 146 157 A G H > S+ 0 0 48 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.751 96.4 52.5 -65.0 -27.7 45.4 0.5 32.7 147 158 A W H > S+ 0 0 184 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 107.8 51.3 -74.4 -38.0 42.8 0.6 29.9 148 159 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.933 109.7 51.4 -61.8 -44.9 43.5 4.3 29.4 149 160 A R H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 110.9 47.4 -53.5 -49.0 47.1 3.4 29.0 150 161 A Q H X S+ 0 0 92 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.880 110.9 50.9 -63.9 -39.9 46.3 0.7 26.5 151 162 A S H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.864 109.7 50.5 -67.5 -37.1 44.1 3.0 24.5 152 163 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 109.3 51.5 -65.8 -41.4 46.8 5.7 24.4 153 164 A A H X S+ 0 0 12 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.929 111.9 46.5 -60.3 -45.8 49.3 3.1 23.2 154 165 A D H X S+ 0 0 99 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.900 110.3 53.9 -62.5 -40.7 47.0 2.0 20.4 155 166 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.894 105.3 52.8 -63.0 -41.9 46.3 5.6 19.5 156 167 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.917 109.5 50.2 -57.5 -43.4 50.0 6.4 19.1 157 168 A G H < S+ 0 0 27 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.861 108.3 52.3 -62.7 -38.4 50.2 3.4 16.7 158 169 A E H < S+ 0 0 149 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 113.2 44.2 -65.8 -35.6 47.3 4.7 14.7 159 170 A I H < S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.940 85.7 157.3 -75.3 -47.8 48.9 8.1 14.3 160 171 A G < + 0 0 10 -4,-2.7 4,-0.5 -5,-0.2 3,-0.2 -0.039 10.1 118.1 54.5-159.6 52.3 6.8 13.5 161 172 A G S > S- 0 0 29 1,-0.2 4,-2.1 2,-0.1 3,-0.2 -0.174 80.7 -57.6 91.1 173.8 54.8 9.0 11.6 162 173 A E H > S+ 0 0 164 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 129.4 55.1 -63.3 -35.7 58.2 10.5 12.4 163 174 A R H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 109.2 46.5 -69.9 -40.0 57.1 12.3 15.4 164 175 A V H > S+ 0 0 0 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.927 112.5 51.7 -62.6 -44.2 55.7 9.2 17.1 165 176 A R H X S+ 0 0 61 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 109.1 49.7 -60.8 -42.8 58.8 7.3 16.2 166 177 A A H X S+ 0 0 37 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.894 112.4 47.8 -62.9 -40.9 61.0 10.1 17.7 167 178 A A H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.874 110.1 52.1 -66.1 -40.4 58.9 10.0 20.9 168 179 A M H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.877 105.8 55.6 -65.2 -36.0 59.1 6.2 21.1 169 180 A E H X S+ 0 0 72 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.925 105.7 51.1 -63.2 -42.4 62.9 6.3 20.8 170 181 A K H X S+ 0 0 96 -4,-1.6 4,-2.6 1,-0.2 5,-0.4 0.934 112.7 46.0 -58.4 -46.3 63.1 8.6 23.8 171 182 A L H X S+ 0 0 25 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.866 109.1 55.3 -63.2 -38.4 61.0 6.2 25.8 172 183 A A H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.4 43.2 -61.6 -35.7 63.1 3.3 24.6 173 184 A E H < S+ 0 0 132 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.939 138.9 0.4 -75.4 -48.9 66.1 5.0 25.9 174 185 A T H < S+ 0 0 116 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.414 98.3 110.8-129.1 -1.1 65.0 6.3 29.3 175 186 A G < - 0 0 17 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.0 -0.175 46.3-155.7 -71.2 169.8 61.4 5.2 29.8 176 187 A T >> - 0 0 95 4,-0.0 4,-0.9 0, 0.0 3,-0.7 -0.938 45.2 -2.4-141.0 165.4 60.2 2.6 32.3 177 188 A G H 3> S- 0 0 47 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.172 122.7 -6.2 59.3-141.3 57.3 0.2 32.9 178 189 A F H 3> S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 133.2 56.9 -56.7 -44.6 54.4 0.1 30.5 179 190 A A H <> S+ 0 0 1 -3,-0.7 4,-2.2 -38,-0.2 -1,-0.2 0.869 106.5 49.9 -58.7 -41.0 55.6 3.1 28.5 180 191 A R H X S+ 0 0 144 -4,-0.9 4,-3.0 -3,-0.4 5,-0.3 0.938 110.2 50.0 -60.8 -46.4 59.0 1.4 27.8 181 192 A K H X S+ 0 0 159 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.899 111.3 49.8 -60.1 -42.3 57.2 -1.8 26.6 182 193 A V H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.931 113.6 45.4 -59.3 -47.2 55.0 0.3 24.3 183 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.913 113.6 47.1 -67.6 -45.7 58.0 2.1 22.8 184 195 A V H X S+ 0 0 48 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.948 113.6 48.0 -65.3 -46.5 60.2 -0.9 22.3 185 196 A N H X S+ 0 0 99 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.929 111.2 52.5 -58.0 -43.6 57.4 -3.0 20.7 186 197 A Y H X S+ 0 0 17 -4,-2.3 4,-1.0 -5,-0.2 3,-0.3 0.935 111.1 45.2 -56.5 -50.2 56.5 -0.0 18.5 187 198 A L H < S+ 0 0 35 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.865 111.7 52.4 -66.5 -35.1 60.1 0.4 17.2 188 199 A E H < S+ 0 0 155 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.823 116.7 39.5 -68.1 -28.4 60.5 -3.3 16.7 189 200 A T H < S+ 0 0 85 -4,-1.7 2,-0.4 -3,-0.3 -1,-0.2 0.480 106.4 72.6-102.2 -4.3 57.3 -3.5 14.6 190 201 A H < 0 0 66 -4,-1.0 -1,-0.1 -3,-0.3 -30,-0.0 -0.954 360.0 360.0-124.8 130.8 57.6 -0.3 12.6 191 202 A K 0 0 216 -2,-0.4 -4,-0.0 -3,-0.0 0, 0.0 -0.104 360.0 360.0 40.6 360.0 59.9 0.8 9.7