==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 03-NOV-11 3UHS . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR Z.REN,V.SRAJER,J.E.KNAPP,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 85.9 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 2 0 0 0 1 1 0 0 0 2 4 0 2 0 2 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 S > 0 0 86 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 166.9 13.8 -11.5 24.2 2 3 A V H > + 0 0 10 141,-0.4 4,-2.0 1,-0.2 5,-0.1 0.837 360.0 53.5 -61.9 -32.7 11.7 -8.4 24.4 3 4 A Y H > S+ 0 0 136 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.859 110.2 45.9 -71.9 -34.7 8.8 -10.3 25.8 4 5 A D H 4 S+ 0 0 106 -3,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.869 112.7 51.2 -74.2 -36.2 10.9 -11.8 28.6 5 6 A A H >< S+ 0 0 16 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.880 105.7 54.6 -67.4 -39.3 12.4 -8.5 29.4 6 7 A A H >< S+ 0 0 12 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.838 99.9 62.4 -63.6 -31.1 9.0 -6.8 29.6 7 8 A A T 3< S+ 0 0 72 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.601 89.9 70.2 -69.7 -10.8 8.1 -9.5 32.2 8 9 A Q T < S+ 0 0 105 -3,-1.6 2,-1.9 -4,-0.2 -1,-0.3 0.627 71.1 96.4 -81.2 -14.2 10.9 -8.1 34.4 9 10 A L < - 0 0 16 -3,-1.5 -1,-0.1 -4,-0.3 -3,-0.0 -0.574 65.4-173.6 -79.5 83.9 8.9 -4.9 35.0 10 11 A T > - 0 0 73 -2,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.114 39.1 -88.6 -72.9 173.2 7.3 -6.0 38.4 11 12 A A H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.904 126.3 40.0 -49.1 -54.6 4.7 -4.2 40.4 12 13 A D H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.776 111.2 57.1 -72.0 -26.4 7.1 -2.1 42.4 13 14 A V H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 109.5 46.6 -67.7 -43.0 9.4 -1.4 39.5 14 15 A K H X S+ 0 0 56 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 112.2 50.8 -63.7 -41.6 6.5 0.1 37.6 15 16 A K H X S+ 0 0 107 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.913 110.7 47.7 -63.4 -43.9 5.5 2.1 40.7 16 17 A D H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.864 110.2 53.7 -66.3 -34.3 9.0 3.5 41.1 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 112.0 44.2 -64.8 -45.0 9.1 4.4 37.4 18 19 A R H X S+ 0 0 77 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.935 112.8 50.2 -65.8 -48.0 5.8 6.3 37.7 19 20 A D H X S+ 0 0 61 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.882 116.2 41.9 -59.0 -41.0 6.7 8.1 40.9 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 3,-0.8 0.875 112.4 53.1 -75.3 -37.7 10.1 9.3 39.5 21 22 A W H 3X S+ 0 0 15 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.846 96.1 68.9 -65.4 -32.9 8.7 10.2 36.1 22 23 A K H 3< S+ 0 0 150 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.7 30.1 -52.7 -36.2 6.0 12.4 37.8 23 24 A V H X< S+ 0 0 58 -3,-0.8 3,-1.3 -4,-0.6 4,-0.4 0.927 123.4 45.0 -88.6 -54.3 9.0 14.6 38.7 24 25 A I H >< S+ 0 0 10 -4,-2.7 3,-1.0 1,-0.3 7,-0.2 0.863 112.3 52.2 -58.9 -40.5 11.4 14.1 35.8 25 26 A G G >< S+ 0 0 8 -4,-3.2 3,-0.6 1,-0.2 -1,-0.3 0.544 89.4 82.1 -75.7 -5.7 8.7 14.3 33.1 26 27 A S G < S+ 0 0 94 -3,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.808 102.6 31.3 -67.5 -29.9 7.6 17.6 34.6 27 28 A D G <> + 0 0 78 -3,-1.0 4,-2.7 -4,-0.4 5,-0.4 -0.677 68.6 166.4-131.4 77.0 10.3 19.5 32.7 28 29 A K H <> S+ 0 0 32 -3,-0.6 4,-1.8 -2,-0.3 5,-0.2 0.868 78.3 49.5 -57.9 -41.5 11.0 17.6 29.5 29 30 A K H > S+ 0 0 66 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.962 116.5 39.0 -65.4 -54.2 13.0 20.4 28.0 30 31 A G H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.927 123.8 38.5 -64.3 -47.8 15.3 20.9 31.0 31 32 A N H X S+ 0 0 8 -4,-2.7 4,-2.0 -7,-0.2 -1,-0.2 0.790 114.0 56.0 -74.5 -29.2 15.8 17.3 31.9 32 33 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.4 -2,-0.2 0.948 111.2 42.9 -67.1 -47.4 15.9 16.1 28.3 33 34 A V H X S+ 0 0 12 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.863 112.1 54.2 -65.9 -37.1 18.8 18.5 27.5 34 35 A A H X S+ 0 0 32 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.907 107.2 52.3 -63.4 -40.6 20.5 17.6 30.8 35 36 A M H X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.936 112.6 43.9 -60.0 -49.8 20.3 13.9 29.9 36 37 A M H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.897 112.6 50.2 -64.6 -44.3 21.9 14.5 26.4 37 38 A T H X S+ 0 0 50 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.854 111.3 50.3 -63.5 -35.0 24.7 16.8 27.6 38 39 A T H X S+ 0 0 30 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.877 109.1 51.6 -70.5 -37.8 25.6 14.3 30.3 39 40 A L H X S+ 0 0 13 -4,-1.8 4,-2.1 1,-0.2 7,-0.2 0.927 112.4 45.2 -63.8 -45.0 25.7 11.5 27.7 40 41 A F H < S+ 0 0 4 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.785 115.5 48.4 -70.0 -27.0 28.1 13.6 25.5 41 42 A A H < S+ 0 0 64 -4,-1.5 3,-0.5 -5,-0.2 -2,-0.2 0.922 119.5 35.2 -78.2 -47.2 30.2 14.5 28.5 42 43 A D H < S+ 0 0 72 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.725 132.1 29.5 -80.8 -22.4 30.5 11.0 30.0 43 44 A N >< + 0 0 36 -4,-2.1 3,-2.4 -5,-0.3 4,-0.3 -0.538 62.6 169.3-138.9 70.2 30.7 9.2 26.7 44 45 A Q G > S+ 0 0 127 -3,-0.5 3,-1.6 1,-0.3 4,-0.3 0.728 72.3 74.6 -52.0 -26.2 32.2 11.5 24.1 45 46 A E G > S+ 0 0 103 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.708 87.7 60.7 -63.4 -20.9 32.4 8.6 21.7 46 47 A T G X S+ 0 0 5 -3,-2.4 3,-1.4 -7,-0.2 4,-0.5 0.618 80.4 84.3 -82.3 -12.9 28.7 8.7 21.1 47 48 A I G X S+ 0 0 47 -3,-1.6 3,-1.2 -4,-0.3 -1,-0.2 0.781 77.0 70.5 -60.1 -26.9 28.9 12.2 19.7 48 49 A G G X S+ 0 0 41 -3,-0.6 3,-0.9 -4,-0.3 -1,-0.3 0.819 91.6 57.4 -60.5 -31.8 29.7 10.7 16.3 49 50 A Y G < S+ 0 0 104 -3,-1.4 3,-0.3 1,-0.2 -1,-0.3 0.708 103.8 55.1 -71.3 -20.6 26.2 9.4 16.0 50 51 A F G X + 0 0 46 -3,-1.2 3,-1.6 -4,-0.5 4,-0.4 -0.065 62.2 131.0-106.6 33.3 24.8 12.9 16.4 51 52 A K G X + 0 0 178 -3,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.857 69.2 62.0 -51.0 -41.8 26.7 14.7 13.6 52 53 A R G 3 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.767 92.0 67.1 -58.2 -28.1 23.4 16.3 12.3 53 54 A L G < S- 0 0 6 -3,-1.6 12,-0.4 1,-0.2 -1,-0.3 0.657 91.9-153.6 -69.9 -16.2 22.9 18.1 15.6 54 55 A G < + 0 0 51 -3,-1.7 2,-1.4 -4,-0.4 -1,-0.2 -0.535 62.7 12.6 80.6-144.9 26.0 20.3 15.0 55 56 A D > - 0 0 89 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.552 66.0-175.7 -73.5 94.8 27.9 21.8 17.9 56 57 A V G > S+ 0 0 15 -2,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.633 72.4 73.6 -66.6 -16.2 26.4 19.8 20.8 57 58 A S G 3 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.595 79.0 75.1 -76.1 -9.9 28.4 21.8 23.4 58 59 A Q G X S- 0 0 107 -3,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.669 79.1-178.5 -73.9 -16.5 26.1 24.7 22.9 59 60 A G G X + 0 0 10 -3,-1.2 3,-2.7 1,-0.3 7,-0.3 -0.273 64.0 10.9 57.9-131.8 23.4 22.8 24.9 60 61 A M G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.740 125.5 63.2 -48.0 -31.6 20.1 24.6 25.2 61 62 A A G < S+ 0 0 71 -3,-1.7 2,-0.9 4,-0.1 -1,-0.3 0.636 82.0 89.9 -72.8 -16.3 21.2 27.2 22.6 62 63 A N <> - 0 0 21 -3,-2.7 4,-2.7 1,-0.2 5,-0.2 -0.753 65.7-159.8 -86.4 107.1 21.5 24.5 19.9 63 64 A D H > S+ 0 0 82 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.878 90.0 48.5 -53.8 -43.7 18.0 24.4 18.3 64 65 A K H > S+ 0 0 98 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 112.8 47.6 -65.8 -42.1 18.5 20.9 16.9 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.902 112.7 49.5 -64.7 -41.2 19.8 19.5 20.2 66 67 A R H X S+ 0 0 18 -4,-2.7 4,-2.1 -7,-0.3 5,-0.2 0.900 111.1 49.8 -65.0 -40.6 16.9 21.1 22.0 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.915 113.7 45.3 -64.4 -43.0 14.4 19.7 19.5 68 69 A H H X S+ 0 0 26 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 112.1 51.5 -65.3 -46.0 15.9 16.2 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.882 110.7 47.1 -59.6 -44.0 16.0 16.4 23.6 70 71 A I H X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.958 113.8 48.8 -63.2 -49.2 12.4 17.4 24.0 71 72 A T H >X S+ 0 0 44 -4,-2.0 3,-1.0 1,-0.2 4,-0.7 0.872 104.4 59.3 -58.4 -40.6 11.3 14.7 21.5 72 73 A L H >X S+ 0 0 38 -4,-2.6 4,-1.2 1,-0.3 3,-1.2 0.896 100.7 57.2 -56.1 -40.3 13.4 12.1 23.4 73 74 A M H 3X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.5 -1,-0.3 0.760 99.3 58.2 -64.1 -26.3 11.3 12.8 26.5 74 75 A Y H < S+ 0 0 7 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.933 110.9 50.8 -56.3 -49.7 6.8 3.9 27.6 80 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.887 108.1 53.1 -56.8 -41.1 5.5 5.0 31.0 81 82 A D H 3< S+ 0 0 59 -4,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.726 106.8 53.0 -68.3 -22.0 2.0 5.2 29.6 82 83 A Q T X< S+ 0 0 17 -4,-1.2 3,-1.1 -3,-0.9 7,-0.5 0.420 76.7 101.9 -93.4 1.0 2.1 1.6 28.3 83 84 A L T < S+ 0 0 4 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.771 75.1 59.7 -56.2 -29.0 3.2 0.1 31.6 84 85 A D T 3 S+ 0 0 122 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.830 107.9 46.0 -69.5 -32.9 -0.3 -1.2 32.3 85 86 A N <> - 0 0 56 -3,-1.1 4,-2.4 1,-0.1 3,-0.4 -0.908 62.8-167.3-119.6 107.1 -0.4 -3.3 29.2 86 87 A P H > S+ 0 0 78 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.868 90.7 56.9 -55.9 -40.5 2.7 -5.5 28.3 87 88 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 111.3 42.0 -60.3 -40.7 1.4 -6.1 24.8 88 89 A D H > S+ 0 0 9 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.871 112.1 54.3 -73.8 -38.5 1.3 -2.4 24.1 89 90 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 -7,-0.5 -2,-0.2 0.946 110.1 48.0 -59.8 -47.7 4.6 -1.7 25.7 90 91 A V H X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.929 111.1 47.8 -59.8 -49.4 6.3 -4.3 23.6 91 92 A C H X S+ 0 0 7 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.826 113.6 49.1 -64.3 -29.5 4.8 -3.1 20.3 92 93 A V H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.831 111.6 49.3 -77.2 -32.6 5.8 0.4 21.1 93 94 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 111.3 47.5 -72.9 -43.2 9.3 -0.6 22.1 94 95 A E H X S+ 0 0 67 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.923 111.9 51.6 -62.8 -41.7 9.8 -2.6 18.9 95 96 A K H >X S+ 0 0 46 -4,-1.6 3,-0.6 -5,-0.2 4,-0.5 0.941 110.7 48.8 -57.3 -48.1 8.5 0.4 16.9 96 97 A F H 3X S+ 0 0 47 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.823 106.5 57.5 -60.8 -35.5 11.0 2.6 18.7 97 98 A A H 3X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.790 85.8 80.1 -69.4 -30.1 13.8 0.2 18.0 98 99 A V H S+ 0 0 46 -4,-0.7 5,-2.7 -3,-0.3 -1,-0.2 0.822 108.9 50.5 -75.9 -29.5 17.9 2.9 16.2 101 102 A I H ><5S+ 0 0 85 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.874 107.6 54.1 -71.7 -38.1 18.6 -0.5 14.6 102 103 A T H 3<5S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.785 106.4 52.2 -65.0 -28.9 19.0 1.3 11.3 103 104 A R T 3<5S- 0 0 108 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.425 116.4-118.3 -87.1 0.2 21.5 3.6 12.9 104 105 A K T < 5 + 0 0 165 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.850 54.6 162.7 65.5 35.7 23.4 0.5 14.1 105 106 A I < - 0 0 20 -5,-2.7 -1,-0.2 4,-0.1 -2,-0.1 -0.795 26.1-151.2 -87.2 114.3 23.0 1.5 17.7 106 107 A S > - 0 0 54 -2,-0.8 4,-2.7 -3,-0.1 5,-0.2 -0.297 26.6-103.9 -82.2 170.5 23.7 -1.8 19.6 107 108 A A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 35,-0.1 0.897 124.1 49.2 -59.1 -41.7 22.3 -2.9 23.0 108 109 A A H 4 S+ 0 0 78 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.884 110.9 49.6 -65.9 -39.3 25.6 -2.0 24.6 109 110 A E H >4 S+ 0 0 40 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.934 111.7 48.2 -64.4 -47.0 25.7 1.4 23.0 110 111 A F H >< S+ 0 0 36 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.875 100.4 67.1 -61.3 -39.1 22.1 2.2 24.1 111 112 A G G >< S+ 0 0 14 -4,-2.1 3,-1.6 1,-0.3 4,-0.3 0.641 79.7 80.2 -58.7 -15.1 22.9 1.1 27.6 112 113 A K G < S+ 0 0 58 -3,-1.4 3,-0.5 -4,-0.4 -1,-0.3 0.626 76.9 72.9 -68.9 -10.8 25.2 4.1 28.0 113 114 A I G <> S+ 0 0 23 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.703 78.2 78.4 -74.9 -19.3 22.1 6.2 28.6 114 115 A N H <> S+ 0 0 46 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.885 89.6 52.5 -56.2 -43.6 21.8 4.6 32.1 115 116 A G H > S+ 0 0 34 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.971 110.5 46.4 -58.2 -56.1 24.6 6.7 33.5 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 113.2 50.7 -54.2 -39.5 22.9 10.0 32.4 117 118 A I H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 109.0 50.3 -66.5 -44.6 19.6 8.8 33.7 118 119 A K H X S+ 0 0 96 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.904 111.6 48.6 -60.3 -42.1 21.0 7.9 37.1 119 120 A K H X S+ 0 0 111 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.877 111.3 48.4 -67.6 -38.0 22.6 11.3 37.4 120 121 A V H < S+ 0 0 9 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-3,-1.2 4,-0.5 -4,-0.7 -1,-0.2 0.907 108.9 43.9 -67.5 -41.3 13.5 -3.9 27.5 141 142 A V H >X S+ 0 0 2 -4,-1.1 3,-1.8 -3,-0.2 4,-0.8 0.921 109.3 56.5 -68.2 -44.3 14.7 -1.7 24.7 142 143 A Q H >< S+ 0 0 52 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.879 101.3 58.3 -54.5 -38.4 18.1 -3.3 24.7 143 144 A A T 3< S+ 0 0 40 -4,-1.8 -141,-0.4 1,-0.3 -1,-0.3 0.701 105.6 50.8 -64.6 -20.3 16.4 -6.6 24.2 144 145 A A T <4 0 0 23 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.552 360.0 360.0 -94.7 -11.2 14.8 -5.2 21.0 145 146 A L << 0 0 62 -3,-1.1 -39,-0.1 -4,-0.8 -47,-0.1 -0.422 360.0 360.0 -87.9 360.0 18.1 -4.0 19.5 146 !* 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 0.0 147 2 B S > 0 0 109 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.1 9.5 29.4 6.8 148 3 B V H > + 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.845 360.0 57.8 -72.0 -33.7 8.2 27.2 9.6 149 4 B Y H > S+ 0 0 104 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.896 104.7 51.0 -61.8 -40.7 8.1 30.3 11.9 150 5 B D H 4 S+ 0 0 120 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.870 110.3 48.2 -65.7 -37.6 5.8 32.0 9.4 151 6 B A H >< S+ 0 0 19 -4,-1.3 3,-1.6 1,-0.2 4,-0.2 0.883 107.3 56.4 -69.5 -37.7 3.4 29.0 9.4 152 7 B A H >< S+ 0 0 11 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.788 93.6 70.4 -63.4 -26.7 3.5 28.9 13.2 153 8 B A T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.702 87.1 65.0 -64.2 -19.8 2.3 32.5 13.0 154 9 B Q T < S+ 0 0 110 -3,-1.6 2,-1.9 -4,-0.3 -1,-0.3 0.615 76.4 94.5 -78.5 -12.3 -1.1 31.3 11.8 155 10 B L < - 0 0 13 -3,-1.8 -1,-0.1 -4,-0.2 -3,-0.0 -0.596 65.6-178.0 -82.1 82.5 -1.6 29.5 15.1 156 11 B T > - 0 0 70 -2,-1.9 4,-2.9 1,-0.1 5,-0.3 -0.181 43.8 -94.2 -75.6 172.1 -3.5 32.4 16.8 157 12 B A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.900 127.6 47.2 -55.1 -43.6 -4.8 32.4 20.3 158 13 B D H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 111.5 50.1 -67.4 -38.7 -8.2 31.0 19.2 159 14 B V H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 111.6 48.1 -64.4 -46.8 -6.6 28.3 17.1 160 15 B K H X S+ 0 0 36 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.857 110.2 53.6 -62.3 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-8.7 13.0 21.3 171 26 B G T 3< S+ 0 0 7 -4,-2.6 3,-0.5 1,-0.2 -1,-0.3 0.463 90.3 79.9 -78.6 0.6 -5.5 12.5 23.2 172 27 B S T < S+ 0 0 93 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.581 103.2 33.9 -82.5 -10.5 -7.2 10.7 26.1 173 28 B D S <> S+ 0 0 76 -3,-1.1 4,-2.7 -4,-0.3 5,-0.4 -0.612 70.0 166.7-142.6 74.5 -7.3 7.5 24.0 174 29 B K H > S+ 0 0 31 -3,-0.5 4,-1.7 1,-0.2 5,-0.2 0.861 77.1 48.2 -60.5 -39.6 -4.1 7.5 22.0 175 30 B K H > S+ 0 0 64 3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.963 116.0 42.5 -67.7 -51.8 -4.4 3.8 21.0 176 31 B G H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.938 123.1 35.7 -61.5 -50.8 -8.0 4.0 19.9 177 32 B N H X S+ 0 0 11 -4,-2.7 4,-2.3 -7,-0.3 -1,-0.2 0.830 114.3 58.0 -74.5 -31.4 -7.9 7.3 18.1 178 33 B G H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.4 -2,-0.2 0.948 110.9 42.1 -62.5 -48.1 -4.4 6.7 16.7 179 34 B V H X S+ 0 0 10 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.890 112.1 54.9 -65.4 -40.1 -5.5 3.5 15.0 180 35 B A H X S+ 0 0 33 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.898 107.6 51.6 -59.4 -39.5 -8.7 5.1 13.8 181 36 B M H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.977 113.4 42.2 -65.0 -53.2 -6.6 7.8 12.2 182 37 B M H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.927 114.2 50.0 -62.7 -43.7 -4.3 5.4 10.4 183 38 B T H X S+ 0 0 50 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.845 111.4 49.8 -62.1 -32.5 -7.1 3.0 9.2 184 39 B T H X S+ 0 0 30 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.882 109.1 52.8 -72.7 -38.3 -9.1 5.9 7.9 185 40 B L H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 7,-0.2 0.941 111.6 44.9 -61.7 -47.1 -6.0 7.2 6.1 186 41 B F H < S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.7 50.0 -66.1 -33.0 -5.6 3.8 4.4 187 42 B A H < S+ 0 0 76 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.920 118.5 35.5 -72.0 -44.7 -9.3 3.6 3.6 188 43 B D H < S+ 0 0 76 -4,-2.9 2,-0.2 1,-0.2 -2,-0.2 0.779 132.6 27.5 -81.7 -28.3 -9.6 7.1 2.0 189 44 B N >< + 0 0 41 -4,-2.6 3,-2.3 -5,-0.3 4,-0.3 -0.605 65.5 174.8-134.4 74.4 -6.2 7.1 0.4 190 45 B Q G > S+ 0 0 156 -3,-0.4 3,-1.8 1,-0.3 4,-0.3 0.784 74.2 71.1 -49.9 -32.2 -5.2 3.5 -0.4 191 46 B E G > S+ 0 0 91 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.765 83.8 69.3 -59.7 -25.2 -2.0 4.7 -2.2 192 47 B T G X S+ 0 0 6 -3,-2.3 3,-1.8 1,-0.3 4,-0.4 0.710 79.3 78.1 -66.6 -19.6 -0.5 5.8 1.1 193 48 B I G X S+ 0 0 62 -3,-1.8 3,-1.6 -4,-0.3 -1,-0.3 0.771 75.7 77.3 -60.4 -24.5 -0.1 2.1 2.1 194 49 B G G X S+ 0 0 65 -3,-1.5 3,-0.6 -4,-0.3 -1,-0.3 0.778 90.9 53.3 -56.7 -27.4 2.9 2.0 -0.1 195 50 B Y G < S+ 0 0 104 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.652 105.0 56.3 -81.9 -16.4 4.9 3.8 2.5 196 51 B F G X + 0 0 44 -3,-1.6 3,-1.4 -4,-0.4 4,-0.4 -0.084 57.2 128.3-110.4 35.0 4.0 1.3 5.2 197 52 B K G X S+ 0 0 182 -3,-0.6 3,-1.7 1,-0.3 -1,-0.2 0.870 71.7 63.5 -56.4 -36.2 5.1 -2.0 3.8 198 53 B R G 3 S+ 0 0 101 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.793 91.6 65.0 -59.3 -29.2 7.0 -2.7 7.0 199 54 B L G < S- 0 0 5 -3,-1.4 12,-0.3 1,-0.2 -1,-0.3 0.641 91.9-157.9 -71.0 -14.0 3.7 -2.7 9.0 200 55 B G < + 0 0 48 -3,-1.7 2,-1.8 -4,-0.4 -1,-0.2 -0.488 61.5 18.2 76.8-140.3 2.6 -5.8 7.1 201 56 B D > + 0 0 85 -2,-0.2 3,-1.7 1,-0.2 4,-0.2 -0.487 63.8 176.0 -72.2 85.7 -1.1 -6.7 6.9 202 57 B V G > + 0 0 20 -2,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.578 68.7 78.5 -68.3 -8.3 -2.6 -3.3 7.8 203 58 B S G 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.720 80.2 69.8 -72.5 -18.7 -6.1 -4.7 7.1 204 59 B Q G X S- 0 0 106 -3,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.686 82.8-177.3 -70.5 -17.7 -5.9 -6.3 10.6 205 60 B G G X + 0 0 11 -3,-1.1 3,-2.2 1,-0.3 7,-0.3 -0.305 63.5 7.9 59.7-132.9 -6.1 -2.8 12.1 206 61 B M G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 6,-0.2 0.803 126.6 62.1 -49.1 -38.5 -5.8 -2.7 15.9 207 62 B A G < S+ 0 0 75 -3,-1.4 2,-0.9 4,-0.1 -1,-0.3 0.666 82.1 93.2 -66.0 -17.6 -4.9 -6.4 16.1 208 63 B N <> - 0 0 10 -3,-2.2 4,-3.2 1,-0.2 5,-0.3 -0.705 66.8-157.5 -81.9 107.0 -1.8 -5.7 14.0 209 64 B D H > S+ 0 0 90 -2,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.863 90.6 48.7 -52.4 -43.7 1.0 -5.2 16.6 210 65 B K H > S+ 0 0 89 -11,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 114.4 45.1 -66.2 -40.5 3.2 -3.2 14.3 211 66 B L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.913 114.7 48.8 -68.9 -41.9 0.3 -0.9 13.2 212 67 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3,-0.3 1,-0.2 -1,-0.3 0.745 108.3 49.3 -69.0 -22.5 2.6 20.9 24.5 228 83 B Q T X< S+ 0 0 21 -4,-1.1 3,-1.8 -3,-0.8 7,-0.5 0.358 76.0 109.5 -98.7 6.5 4.8 23.4 22.7 229 84 B L T < S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.783 75.4 52.6 -53.2 -33.5 2.1 25.7 21.4 230 85 B D T 3 S+ 0 0 117 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.522 105.4 56.5 -84.9 -4.1 2.9 28.6 23.7 231 86 B N X> - 0 0 58 -3,-1.8 4,-2.5 1,-0.1 3,-1.0 -0.807 62.9-170.4-129.6 92.8 6.6 28.8 22.8 232 87 B P H 3> S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.823 86.9 58.5 -48.5 -37.7 7.1 29.3 19.0 233 88 B D H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.894 111.3 39.9 -63.4 -39.7 10.8 28.7 19.4 234 89 B D H <> S+ 0 0 8 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.862 113.3 54.2 -77.1 -36.7 10.3 25.2 20.9 235 90 B L H X S+ 0 0 3 -4,-2.5 4,-2.3 -7,-0.5 -2,-0.2 0.943 109.8 48.9 -61.3 -46.4 7.4 24.3 18.5 236 91 B V H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.915 110.9 47.4 -60.7 -46.6 9.6 25.1 15.5 237 92 B C H X S+ 0 0 4 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 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