==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 17-OCT-95 1NOL . COMPND 2 MOLECULE: HEMOCYANIN (SUBUNIT TYPE II); . SOURCE 2 ORGANISM_SCIENTIFIC: LIMULUS POLYPHEMUS; . AUTHOR B.HAZES,W.G.J.HOL . 607 5 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 7 1 0 1 0 0 3 2 0 1 1 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 . 5 1 1 0 0 0 0 3 3 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 . 3 1 0 0 0 0 0 1 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 T > 0 0 115 0, 0.0 4,-2.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.3 61.5 -31.8 -0.2 2 2 A L H > + 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 360.0 56.8 -65.6 -44.5 58.9 -29.3 -1.6 3 3 A H H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.835 107.4 47.7 -55.8 -32.3 57.2 -32.2 -3.5 4 4 A D H >> S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.982 111.0 51.4 -68.3 -51.8 56.7 -34.1 -0.2 5 5 A K H 3X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.861 107.7 54.0 -47.6 -42.6 55.4 -30.9 1.5 6 6 A Q H 3X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -1,-0.3 0.895 106.8 50.0 -63.7 -38.3 53.0 -30.5 -1.4 7 7 A I H X S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 4,-0.8 0.940 106.5 55.0 -62.1 -45.8 49.2 -30.3 2.0 10 10 A C H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.919 104.5 55.8 -52.8 -37.2 46.9 -31.9 -0.6 11 11 A H H >< S+ 0 0 82 -4,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.715 96.9 63.1 -71.1 -21.8 45.9 -34.5 2.1 12 12 A L H << S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.807 108.6 42.6 -63.1 -27.7 44.8 -31.7 4.4 13 13 A F T << S+ 0 0 1 -3,-1.3 2,-0.4 -4,-0.8 3,-0.3 0.068 90.2 110.2-110.8 23.8 42.1 -30.8 1.9 14 14 A E S < S- 0 0 48 -3,-0.9 395,-0.2 1,-0.2 93,-0.1 -0.857 89.5 -9.1-113.4 130.5 40.9 -34.3 0.9 15 15 A Q S > S+ 0 0 34 393,-3.3 4,-1.2 -2,-0.4 3,-0.4 0.876 79.2 164.0 48.6 49.0 37.4 -35.7 1.8 16 16 A L T 4 + 0 0 1 392,-0.3 4,-0.3 -3,-0.3 -1,-0.1 0.791 64.5 57.6 -76.4 -29.7 37.0 -32.8 3.9 17 17 A S T 4 S+ 0 0 12 392,-0.5 3,-0.4 90,-0.3 4,-0.4 0.841 113.0 41.6 -68.7 -32.1 33.2 -33.1 4.3 18 18 A S T 4 S+ 0 0 38 -3,-0.4 -2,-0.2 391,-0.2 -1,-0.2 0.609 87.4 99.2 -81.8 -17.3 33.8 -36.6 5.7 19 19 A A S < S+ 0 0 29 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.709 90.5 39.2 -43.1 -33.6 36.8 -35.3 7.8 20 20 A T 0 0 58 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.897 360.0 360.0 -77.4 -50.5 34.4 -35.1 10.8 21 21 A V 0 0 153 -4,-0.4 -2,-0.2 0, 0.0 -1,-0.2 -0.261 360.0 360.0 -99.3 360.0 32.5 -38.4 10.1 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 30 A H 0 0 143 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -24.6 41.4 -30.8 22.4 24 31 A S > - 0 0 45 2,-0.1 3,-0.6 3,-0.0 0, 0.0 -0.231 360.0-119.2 148.0 134.0 44.7 -28.8 22.7 25 32 A D G > S+ 0 0 83 1,-0.2 3,-1.0 -2,-0.2 4,-0.2 0.723 115.8 67.6 -61.0 -16.3 44.7 -25.5 24.5 26 33 A R G 3 S+ 0 0 104 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.939 104.8 42.3 -69.4 -33.6 45.9 -24.2 21.1 27 34 A L G < S+ 0 0 4 -3,-0.6 3,-0.4 1,-0.2 -1,-0.3 -0.106 80.5 111.2-106.4 35.8 42.4 -25.0 19.7 28 35 A K S < S+ 0 0 156 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.832 76.9 46.5 -80.5 -29.3 40.3 -23.8 22.6 29 36 A N S S+ 0 0 93 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.2 0.423 104.8 70.6 -95.9 12.0 38.6 -20.8 20.9 30 37 A V + 0 0 10 -3,-0.4 20,-0.0 1,-0.1 19,-0.0 -0.852 63.6 70.6-127.2 160.1 37.7 -22.6 17.7 31 38 A G + 0 0 31 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.752 63.1 116.1 94.2 34.2 35.0 -25.4 17.3 32 39 A K + 0 0 127 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.793 57.1 68.3-100.5 -46.5 32.0 -23.1 17.7 33 40 A L S S- 0 0 26 13,-0.1 45,-0.7 1,-0.1 -1,-0.2 -0.660 93.5-117.1 -77.9 119.4 30.4 -23.4 14.2 34 41 A Q > - 0 0 129 -2,-0.6 3,-1.6 43,-0.1 43,-0.1 -0.246 26.6-104.3 -54.8 134.9 29.0 -26.9 13.9 35 42 A P T 3 S+ 0 0 41 0, 0.0 43,-0.2 0, 0.0 2,-0.1 -0.279 110.1 33.3 -51.6 143.8 30.4 -29.2 11.1 36 43 A G T 3 S+ 0 0 5 1,-0.3 200,-0.2 -3,-0.1 197,-0.1 -0.031 90.8 114.4 94.4 -35.1 27.8 -29.4 8.3 37 44 A A S < S- 0 0 15 -3,-1.6 2,-0.3 -2,-0.1 -1,-0.3 -0.297 78.1-103.8 -65.3 150.1 26.6 -25.8 8.8 38 45 A I - 0 0 4 199,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.665 34.3-134.1 -74.1 132.9 27.3 -23.4 5.8 39 46 A F - 0 0 9 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.0 -0.776 12.9-142.3 -90.1 132.3 30.2 -21.0 6.7 40 47 A S - 0 0 2 -2,-0.4 299,-0.2 1,-0.1 298,-0.1 -0.885 9.5-160.9 -96.0 130.1 29.6 -17.4 5.9 41 48 A C S S+ 0 0 8 297,-2.2 298,-0.1 -2,-0.5 -1,-0.1 0.311 93.4 39.8 -82.7 1.3 32.6 -15.4 4.5 42 49 A F S S+ 0 0 2 296,-0.5 -1,-0.1 272,-0.0 276,-0.1 0.707 84.1 98.9-123.3 -37.7 30.8 -12.2 5.5 43 50 A H S >> S- 0 0 4 295,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.396 71.0-131.8 -55.6 133.2 29.1 -12.7 8.9 44 51 A P H 3> S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.868 101.2 48.6 -56.1 -47.1 31.3 -11.2 11.8 45 52 A D H 3> S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.726 111.8 48.9 -72.8 -19.4 31.1 -14.2 14.2 46 53 A H H <> S+ 0 0 30 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.878 111.7 49.4 -80.9 -43.1 32.0 -16.7 11.5 47 54 A L H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.860 108.1 56.2 -66.6 -28.1 35.0 -14.5 10.4 48 55 A E H X S+ 0 0 89 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.916 108.3 44.7 -67.6 -45.3 36.1 -14.3 14.0 49 56 A E H X S+ 0 0 5 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.906 112.6 52.5 -68.4 -34.5 36.3 -18.0 14.4 50 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 110.7 48.5 -65.7 -38.8 38.1 -18.3 11.0 51 58 A R H X S+ 0 0 62 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.943 108.5 53.2 -64.7 -49.4 40.6 -15.7 12.2 52 59 A H H X S+ 0 0 46 -4,-2.6 4,-1.6 1,-0.2 3,-0.2 0.915 110.7 47.4 -51.1 -45.7 41.2 -17.5 15.5 53 60 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.909 112.7 46.9 -65.8 -42.2 41.9 -20.7 13.6 54 61 A Y H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.694 104.9 61.2 -77.8 -15.8 44.3 -19.2 11.1 55 62 A E H X S+ 0 0 35 -4,-1.9 4,-2.8 -3,-0.2 -1,-0.2 0.957 105.6 47.5 -67.8 -46.5 46.1 -17.4 13.9 56 63 A V H < S+ 0 0 20 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.912 113.1 49.0 -53.0 -47.6 46.9 -20.9 15.4 57 64 A F H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.900 111.9 48.2 -64.2 -38.8 48.1 -22.0 11.9 58 65 A W H 3< S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.907 111.8 48.8 -69.0 -44.4 50.2 -18.9 11.5 59 66 A E T 3< S+ 0 0 117 -4,-2.8 2,-0.7 -5,-0.1 -1,-0.3 0.010 78.3 127.6 -79.4 29.5 51.9 -19.3 15.0 60 67 A A < - 0 0 3 -3,-1.0 6,-0.2 1,-0.2 5,-0.1 -0.815 68.1-127.9 -91.4 123.1 52.6 -23.0 14.3 61 68 A G S S- 0 0 66 -2,-0.7 2,-0.3 4,-0.1 -1,-0.2 0.749 75.8 -19.4 -43.2 -36.5 56.4 -23.2 15.1 62 69 A D S >> S- 0 0 78 1,-0.1 4,-1.9 -3,-0.0 3,-0.6 -0.977 82.1 -76.2-162.5 178.4 57.3 -24.9 11.8 63 70 A F H 3> S+ 0 0 12 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.838 124.1 48.2 -55.0 -41.8 55.8 -26.9 8.9 64 71 A N H 3> S+ 0 0 87 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.905 112.7 50.4 -71.5 -31.2 55.4 -30.3 10.7 65 72 A D H <> S+ 0 0 41 -3,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.844 109.9 51.4 -71.4 -31.0 53.8 -28.5 13.6 66 73 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.912 108.3 49.6 -73.6 -44.2 51.4 -26.8 11.2 67 74 A I H X S+ 0 0 2 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.935 112.5 52.5 -62.2 -31.9 50.4 -30.1 9.5 68 75 A E H X S+ 0 0 133 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.972 109.9 41.7 -67.7 -55.6 49.8 -31.5 13.0 69 76 A I H X S+ 0 0 9 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.905 117.6 50.6 -59.8 -36.3 47.5 -28.8 14.4 70 77 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.975 106.8 52.9 -62.6 -51.2 45.7 -28.7 11.1 71 78 A K H < S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 116.7 42.0 -59.6 -28.0 45.2 -32.5 11.0 72 79 A E H >< S+ 0 0 51 -4,-1.6 3,-1.3 -5,-0.2 4,-0.3 0.810 111.2 50.8 -83.5 -41.3 43.7 -32.2 14.4 73 80 A A H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 3,-2.1 0.919 101.5 63.5 -75.3 -31.5 41.5 -29.2 14.0 74 81 A R T 3< S+ 0 0 34 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.1 0.614 88.9 72.3 -63.2 -6.0 39.9 -30.5 10.9 75 82 A T T <4 S+ 0 0 62 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.759 119.2 7.3 -78.8 -21.9 38.5 -33.4 13.0 76 83 A F T <4 S+ 0 0 38 -3,-2.1 -2,-0.2 -4,-0.3 -3,-0.1 0.655 101.8 91.6-136.1 -23.9 36.0 -31.1 14.7 77 84 A V S < S- 0 0 1 -4,-2.4 -43,-0.1 1,-0.1 -57,-0.0 -0.345 90.4 -79.6 -79.1 160.8 35.8 -27.5 13.3 78 85 A N > - 0 0 0 -45,-0.7 4,-2.2 -43,-0.2 -1,-0.1 -0.365 42.1-132.6 -53.9 136.2 33.3 -26.6 10.5 79 86 A E H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.765 102.3 50.7 -71.3 -26.3 34.9 -27.8 7.3 80 87 A G H > S+ 0 0 6 -43,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.937 109.9 50.8 -75.3 -42.9 34.2 -24.6 5.3 81 88 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.959 110.6 51.9 -53.0 -51.5 35.8 -22.6 8.1 82 89 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.863 106.6 49.9 -55.8 -50.0 38.8 -25.0 7.9 83 90 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.905 113.9 49.2 -59.5 -34.2 39.3 -24.7 4.1 84 91 A F H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.945 113.1 43.6 -66.9 -52.4 39.3 -20.9 4.7 85 92 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.841 115.3 48.8 -66.2 -32.0 41.7 -20.8 7.6 86 93 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.898 109.0 50.7 -80.4 -39.4 44.2 -23.3 6.0 87 94 A E H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.901 110.3 50.4 -64.3 -37.8 44.4 -21.6 2.6 88 95 A V H X S+ 0 0 2 -4,-1.9 4,-1.0 -5,-0.2 5,-0.2 0.914 113.2 48.6 -61.3 -36.8 45.1 -18.2 4.4 89 96 A A H >X S+ 0 0 2 -4,-1.5 4,-2.8 1,-0.2 3,-1.0 0.980 111.7 47.1 -68.2 -45.6 47.9 -20.1 6.3 90 97 A V H 3< S+ 0 0 3 -4,-3.0 9,-0.2 1,-0.3 -1,-0.2 0.810 111.4 52.2 -66.6 -33.5 49.4 -21.7 3.2 91 98 A L H 3< S+ 0 0 25 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.724 121.7 28.4 -71.4 -24.3 49.4 -18.4 1.3 92 99 A H H << S+ 0 0 13 -3,-1.0 -2,-0.2 -4,-1.0 2,-0.2 0.716 90.7 99.3-117.7 -31.5 51.2 -16.5 3.9 93 100 A R >< - 0 0 15 -4,-2.8 3,-1.2 -5,-0.2 4,-0.1 -0.443 65.7-142.0 -57.6 127.6 53.5 -18.9 5.9 94 101 A D G > S+ 0 0 121 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.889 99.4 57.9 -58.4 -41.2 57.0 -18.7 4.6 95 102 A D G 3 S+ 0 0 46 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.574 102.2 56.6 -71.7 -7.2 57.7 -22.4 4.8 96 103 A C G X S+ 0 0 1 -3,-1.2 3,-2.6 -7,-0.2 -1,-0.3 0.339 78.1 132.0 -98.1 7.8 54.7 -23.0 2.5 97 104 A K T < S+ 0 0 85 -3,-1.8 3,-0.1 1,-0.3 -6,-0.1 -0.342 71.1 23.5 -65.9 125.8 56.2 -20.8 -0.2 98 105 A G T 3 S+ 0 0 23 1,-0.4 2,-0.4 -2,-0.1 -1,-0.3 0.251 97.5 119.4 103.5 -7.0 56.1 -22.5 -3.5 99 106 A L < - 0 0 5 -3,-2.6 -1,-0.4 -9,-0.2 2,-0.2 -0.723 53.2-145.0 -97.0 135.2 53.2 -24.7 -2.4 100 107 A Y - 0 0 29 -2,-0.4 420,-0.1 414,-0.1 -91,-0.0 -0.546 14.7-126.8 -82.6 157.1 49.8 -24.6 -4.2 101 108 A V - 0 0 7 418,-0.2 3,-0.1 -2,-0.2 -91,-0.1 -0.880 39.8 -96.8 -97.2 138.7 46.5 -25.1 -2.4 102 109 A P - 0 0 0 0, 0.0 5,-0.1 0, 0.0 403,-0.1 -0.273 54.0 -85.8 -45.8 142.8 44.2 -27.9 -4.0 103 110 A P >> - 0 0 4 0, 0.0 3,-1.6 0, 0.0 4,-1.1 -0.306 34.8-137.5 -59.3 132.2 41.6 -26.5 -6.4 104 111 A V H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.1 0.802 100.6 60.6 -67.7 -26.0 38.4 -25.4 -4.4 105 112 A Q H 34 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.2 7,-0.2 0.662 108.6 46.0 -74.8 -14.9 35.9 -26.9 -6.9 106 113 A E H <4 S+ 0 0 12 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.657 111.1 49.8 -96.1 -28.0 37.5 -30.2 -6.2 107 114 A I H < S+ 0 0 3 -4,-1.1 -90,-0.3 1,-0.2 -91,-0.2 0.871 130.0 22.3 -66.4 -49.6 37.6 -29.8 -2.4 108 115 A F S >< S+ 0 0 3 -4,-2.7 3,-2.4 -5,-0.2 4,-0.3 -0.495 70.2 164.0-120.5 66.0 33.9 -28.9 -2.5 109 116 A P G >> S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-1.5 0.789 72.9 68.0 -52.5 -34.3 32.4 -30.3 -5.8 110 117 A D G 34 S+ 0 0 1 1,-0.3 120,-0.3 2,-0.2 5,-0.1 0.526 94.6 56.1 -67.2 -8.9 28.9 -29.8 -4.4 111 118 A K G <4 S+ 0 0 8 -3,-2.4 -1,-0.3 118,-0.1 -6,-0.1 0.508 114.1 37.5 -93.9 -11.1 29.3 -26.0 -4.6 112 119 A F T <4 S+ 0 0 5 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.556 114.0 53.6-118.3 -13.2 30.1 -25.9 -8.3 113 120 A I S < S- 0 0 2 -4,-1.5 117,-0.3 117,-0.1 -1,-0.1 -0.928 90.0 -97.4-129.0 145.4 27.8 -28.6 -9.7 114 121 A P > - 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0 0 8 -3,-1.4 4,-1.4 1,-0.1 5,-0.2 -0.419 54.1-139.1 -63.8 137.0 31.0 -20.6 -14.3 156 167 A V H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 99.8 52.6 -62.2 -43.5 33.3 -22.7 -12.1 157 168 A G H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 107.0 50.4 -68.0 -37.6 36.3 -20.6 -12.8 158 169 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 112.5 46.7 -69.2 -34.9 34.7 -17.2 -11.8 159 170 A N H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.937 112.1 50.0 -79.0 -37.1 33.4 -18.6 -8.5 160 171 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.920 109.9 51.8 -64.6 -43.4 36.8 -20.2 -7.7 161 172 A H H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.942 108.2 51.3 -56.5 -51.1 38.6 -16.8 -8.4 162 173 A H H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.868 109.9 49.7 -58.7 -37.3 36.2 -14.9 -6.1 163 174 A W H X S+ 0 0 2 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.957 114.5 45.0 -59.7 -50.6 36.9 -17.4 -3.3 164 175 A H H >X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 3,-1.3 0.916 107.9 56.3 -67.4 -38.4 40.7 -17.1 -3.8 165 176 A W H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 3,-0.9 0.937 106.0 50.9 -58.3 -47.4 40.7 -13.2 -4.1 166 177 A H H 3< S+ 0 0 14 -4,-1.6 -1,-0.3 1,-0.3 5,-0.2 0.603 109.3 53.1 -69.6 -8.7 39.0 -12.8 -0.7 167 178 A L H << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.681 108.5 46.2-100.4 -19.4 41.7 -15.1 0.8 168 179 A V H << S+ 0 0 28 -4,-1.4 -2,-0.2 -3,-0.9 -3,-0.1 0.763 126.5 34.6 -78.7 -28.1 44.7 -13.1 -0.6 169 180 A Y S < S- 0 0 13 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.534 85.4-173.2-126.6 64.8 42.9 -9.9 0.7 170 181 A P > - 0 0 1 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.298 24.2-141.0 -57.6 138.4 41.1 -11.0 3.9 171 182 A S T 3 S+ 0 0 17 1,-0.3 130,-2.2 -5,-0.2 131,-0.2 0.679 105.2 55.5 -76.8 -15.0 38.8 -8.4 5.5 172 183 A T T 3 S+ 0 0 22 128,-0.2 -1,-0.3 129,-0.1 128,-0.1 0.396 77.7 139.7 -90.2 5.2 40.0 -9.4 8.9 173 184 A W < - 0 0 0 -3,-1.6 128,-0.2 1,-0.1 129,-0.1 -0.222 36.2-163.3 -54.5 122.6 43.6 -8.8 7.8 174 185 A N > - 0 0 15 1,-0.1 4,-1.5 127,-0.1 3,-0.4 -0.924 5.4-166.1-111.2 114.8 45.4 -7.2 10.8 175 186 A P H > S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.864 85.4 55.7 -73.1 -33.1 48.7 -5.7 9.6 176 187 A K H 4 S+ 0 0 162 1,-0.2 3,-0.1 2,-0.2 5,-0.1 0.894 109.0 49.1 -69.8 -33.3 50.2 -5.2 13.0 177 188 A Y H 4 S+ 0 0 56 -3,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.852 119.1 36.1 -77.4 -34.5 49.8 -8.9 13.8 178 189 A F H < S- 0 0 21 -4,-1.5 2,-1.7 2,-0.3 -1,-0.2 0.591 96.8-135.1 -95.3 -7.3 51.3 -10.1 10.6 179 190 A G S < S+ 0 0 51 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 -0.672 76.8 100.9 86.8 -78.9 53.9 -7.4 10.4 180 191 A K - 0 0 49 -2,-1.7 2,-0.3 -3,-0.1 -2,-0.3 0.111 62.6-148.5 -32.6 134.7 52.9 -7.2 6.8 181 192 A K - 0 0 165 -3,-0.1 2,-0.8 -5,-0.1 -1,-0.1 -0.860 15.0-134.0-107.1 143.5 50.6 -4.7 5.0 182 193 A K > - 0 0 22 -2,-0.3 3,-1.4 -9,-0.1 2,-0.1 -0.876 35.6-125.1 -93.4 99.1 48.4 -5.6 2.0 183 194 A D T 3 S- 0 0 43 -2,-0.8 5,-0.1 388,-0.3 388,-0.1 -0.282 79.0 -13.3 -59.2 126.0 49.1 -2.7 -0.3 184 195 A R T 3> S+ 0 0 39 -2,-0.1 4,-2.6 3,-0.1 -1,-0.2 0.764 79.9 156.4 56.0 40.2 46.0 -0.8 -1.4 185 196 A K H <> S+ 0 0 4 -3,-1.4 4,-2.7 1,-0.2 5,-0.1 0.884 70.5 51.8 -61.5 -44.8 43.7 -3.5 -0.3 186 197 A G H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 112.2 45.1 -60.4 -41.6 40.7 -1.1 0.0 187 198 A E H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.867 112.8 49.6 -72.4 -36.8 41.2 0.2 -3.4 188 199 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.879 105.7 58.1 -73.1 -31.0 41.6 -3.3 -4.9 189 200 A F H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.973 111.9 43.7 -52.0 -53.5 38.4 -4.4 -3.0 190 201 A Y H X S+ 0 0 19 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.890 116.3 44.7 -53.2 -51.9 36.8 -1.6 -5.0 191 202 A Y H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.921 111.2 50.6 -75.2 -42.3 38.4 -2.3 -8.4 192 203 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.918 114.8 42.9 -60.1 -42.2 37.9 -6.1 -8.4 193 204 A H H X S+ 0 0 9 -4,-1.7 4,-2.0 -5,-0.4 -1,-0.2 0.888 112.3 54.6 -78.7 -28.5 34.2 -5.9 -7.6 194 205 A Q H X S+ 0 0 13 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.933 108.6 48.4 -63.4 -45.8 33.7 -3.0 -10.0 195 206 A Q H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.866 107.7 55.6 -66.1 -33.7 35.3 -5.2 -12.9 196 207 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.944 113.3 41.4 -62.0 -41.7 33.0 -8.1 -11.9 197 208 A C H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.947 115.7 49.5 -66.3 -46.0 30.0 -5.8 -12.4 198 209 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.969 113.5 46.7 -62.6 -49.6 31.5 -4.2 -15.5 199 210 A R H X S+ 0 0 7 -4,-3.2 4,-1.1 1,-0.2 -1,-0.2 0.858 111.2 52.0 -59.3 -37.2 32.2 -7.6 -17.0 200 211 A Y H >X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 3,-0.8 0.936 106.4 53.5 -65.1 -42.3 28.7 -8.8 -16.0 201 212 A D H 3X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.774 102.6 57.7 -69.0 -24.8 27.1 -5.8 -17.8 202 213 A C H 3X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.2 331,-0.3 0.770 106.8 50.5 -69.5 -26.6 29.0 -6.7 -21.0 203 214 A E H <>S+ 0 0 30 -4,-2.0 5,-2.8 1,-0.2 3,-0.8 0.974 114.9 43.8 -58.0 -52.5 23.7 -8.6 -20.4 205 216 A L H ><5S+ 0 0 9 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.862 108.9 57.4 -64.1 -36.6 24.4 -6.3 -23.4 206 217 A S H 3<5S+ 0 0 7 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.881 110.8 45.8 -55.4 -34.5 25.9 -9.3 -25.3 207 218 A N T <<5S- 0 0 31 -4,-1.9 -1,-0.3 -3,-0.8 -2,-0.2 0.169 124.2-101.4 -96.6 12.6 22.5 -11.0 -24.7 208 219 A G T < 5S+ 0 0 53 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.627 80.6 131.9 81.8 14.3 20.3 -8.1 -25.7 209 220 A M < - 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