==== 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 3UGY . 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) . 13598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 84.5 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 . 63 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 57.9 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 0 2 0 0 2 0 0 0 0 2 4 2 0 0 1 1 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 92 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 122.1 38.5 -21.5 23.8 2 3 A V H > + 0 0 11 141,-0.3 4,-2.6 1,-0.2 5,-0.2 0.868 360.0 53.7 -58.1 -38.2 36.5 -18.3 24.0 3 4 A Y H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 110.0 46.2 -66.3 -37.5 33.5 -20.2 25.4 4 5 A D H > S+ 0 0 111 -3,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.911 112.5 51.2 -70.2 -41.6 35.6 -21.8 28.1 5 6 A A H >< S+ 0 0 18 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.920 107.7 52.2 -59.9 -45.2 37.2 -18.4 28.9 6 7 A A H >< S+ 0 0 12 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.842 101.4 62.1 -59.9 -33.7 33.7 -16.8 29.1 7 8 A A H 3< S+ 0 0 72 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.717 89.9 69.5 -65.3 -21.2 32.8 -19.6 31.6 8 9 A Q T << S+ 0 0 114 -3,-1.4 2,-1.9 -4,-0.7 -1,-0.3 0.584 72.7 97.4 -73.5 -10.2 35.5 -18.2 33.9 9 10 A L < - 0 0 16 -3,-1.7 -1,-0.2 -4,-0.2 -3,-0.0 -0.561 62.0-179.5 -83.0 79.7 33.3 -15.1 34.5 10 11 A T > - 0 0 70 -2,-1.9 4,-2.8 1,-0.1 5,-0.3 -0.167 44.6 -93.9 -73.7 170.9 31.7 -16.2 37.7 11 12 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.881 126.5 49.8 -53.1 -44.0 29.2 -14.2 39.8 12 13 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 111.8 47.6 -64.1 -42.7 31.9 -12.7 41.9 13 14 A V H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.934 111.3 50.2 -64.3 -46.9 34.0 -11.7 38.9 14 15 A K H X S+ 0 0 57 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.853 109.8 52.5 -60.7 -34.2 31.0 -10.1 37.1 15 16 A K H X S+ 0 0 114 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.929 109.6 47.3 -68.0 -45.3 30.2 -8.2 40.3 16 17 A D H X S+ 0 0 24 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.834 111.0 52.5 -65.8 -32.8 33.7 -6.8 40.6 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.939 112.9 43.8 -67.8 -46.5 33.7 -5.8 36.9 18 19 A R H X S+ 0 0 80 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.936 112.9 50.6 -63.7 -49.8 30.4 -3.9 37.3 19 20 A D H X S+ 0 0 57 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.930 116.7 40.3 -55.6 -49.1 31.3 -2.2 40.5 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 3,-0.6 0.827 110.5 58.7 -70.9 -32.1 34.6 -0.9 39.2 21 22 A W H 3X S+ 0 0 15 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.846 94.6 65.6 -66.1 -32.4 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 165 -4,-1.9 -1,-0.2 2,-0.2 4,-0.2 0.849 112.3 34.6 -57.0 -34.3 30.7 2.3 37.4 23 24 A V H X< S+ 0 0 54 -3,-0.6 3,-0.8 -4,-0.6 4,-0.4 0.939 123.6 40.2 -85.0 -56.1 33.7 4.4 38.5 24 25 A I H >< S+ 0 0 10 -4,-2.4 3,-1.1 1,-0.2 7,-0.3 0.879 114.3 53.7 -61.9 -40.4 36.1 4.0 35.5 25 26 A G G >< S+ 0 0 5 -4,-3.0 3,-0.6 -5,-0.3 -1,-0.2 0.642 89.6 77.6 -71.9 -13.9 33.3 4.2 32.9 26 27 A S G < S+ 0 0 96 -3,-0.8 2,-0.3 -5,-0.3 -1,-0.2 0.722 102.7 37.1 -67.8 -21.9 32.0 7.5 34.2 27 28 A D G <> + 0 0 75 -3,-1.1 4,-2.8 -4,-0.4 5,-0.4 -0.649 68.3 163.5-131.5 75.2 34.9 9.3 32.5 28 29 A K H <> S+ 0 0 35 -3,-0.6 4,-1.7 -2,-0.3 5,-0.2 0.877 76.9 47.2 -60.7 -42.5 35.4 7.6 29.2 29 30 A K H > S+ 0 0 63 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.959 117.7 41.0 -66.1 -51.0 37.5 10.4 27.7 30 31 A G H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.940 122.8 37.1 -63.4 -51.3 39.7 10.9 30.7 31 32 A N H X S+ 0 0 10 -4,-2.8 4,-2.0 -7,-0.3 -1,-0.2 0.764 113.2 58.9 -74.6 -25.7 40.3 7.2 31.6 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.4 -2,-0.2 0.944 109.4 41.9 -67.4 -48.1 40.4 6.1 28.0 33 34 A V H X S+ 0 0 9 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.851 111.9 56.7 -66.5 -34.5 43.4 8.4 27.1 34 35 A A H X S+ 0 0 32 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.916 106.7 50.1 -62.6 -42.8 45.0 7.5 30.5 35 36 A L H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.942 114.2 43.9 -59.8 -50.2 44.8 3.8 29.5 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.923 113.5 48.1 -63.8 -48.3 46.4 4.5 26.1 37 38 A T H X S+ 0 0 48 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.842 111.3 51.9 -63.7 -32.1 49.2 6.8 27.2 38 39 A T H X S+ 0 0 29 -4,-1.9 4,-2.6 -5,-0.3 5,-0.3 0.880 109.4 50.7 -69.9 -38.0 50.1 4.4 30.0 39 40 A L H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 112.9 44.7 -62.8 -48.6 50.3 1.6 27.4 40 41 A F H < S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 115.6 48.7 -65.6 -33.6 52.6 3.7 25.1 41 42 A A H < S+ 0 0 61 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.888 119.9 34.4 -74.8 -41.3 54.7 4.8 28.1 42 43 A D H < S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.685 130.5 32.8 -88.2 -20.6 55.2 1.3 29.6 43 44 A N >< + 0 0 35 -4,-2.3 3,-1.8 -5,-0.3 4,-0.3 -0.583 64.2 166.9-136.3 73.2 55.3 -0.6 26.3 44 45 A Q G > + 0 0 140 -3,-0.4 3,-1.1 1,-0.3 4,-0.4 0.684 69.5 73.8 -60.6 -21.1 56.9 1.7 23.8 45 46 A E G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.547 91.4 58.7 -72.7 -4.0 57.4 -1.2 21.3 46 47 A T G X S+ 0 0 8 -3,-1.8 3,-1.3 -7,-0.2 4,-0.5 0.583 79.3 86.2 -98.7 -12.7 53.6 -1.1 20.7 47 48 A I G X S+ 0 0 64 -3,-1.1 3,-1.5 -4,-0.3 -1,-0.1 0.826 77.4 68.5 -56.6 -34.4 53.5 2.5 19.4 48 49 A G G > S+ 0 0 49 -4,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.806 90.9 61.0 -56.4 -32.4 54.4 1.4 15.9 49 50 A Y G < S+ 0 0 96 -3,-1.3 3,-0.3 1,-0.3 -1,-0.3 0.757 99.0 58.0 -66.4 -25.4 51.0 -0.3 15.6 50 51 A F G X + 0 0 49 -3,-1.5 3,-1.7 -4,-0.5 4,-0.4 -0.023 62.7 132.7 -98.2 31.0 49.2 3.0 16.1 51 52 A K G X + 0 0 164 -3,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.799 65.9 63.3 -49.3 -36.6 50.8 4.8 13.1 52 53 A R G 3 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.784 93.8 61.4 -62.8 -29.4 47.5 6.1 12.0 53 54 A L G < S- 0 0 6 -3,-1.7 12,-0.4 1,-0.2 -1,-0.3 0.557 95.4-148.8 -76.8 -8.5 47.0 8.1 15.2 54 55 A G < + 0 0 52 -3,-1.4 2,-1.3 -4,-0.4 -1,-0.2 -0.550 64.1 10.7 80.5-139.7 50.0 10.3 14.5 55 56 A D > - 0 0 82 -2,-0.2 3,-1.5 1,-0.2 4,-0.1 -0.637 62.7-178.5 -81.4 94.7 52.0 11.6 17.5 56 57 A V G > S+ 0 0 11 -2,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.578 71.5 78.1 -69.8 -9.8 50.6 9.8 20.4 57 58 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.665 80.3 70.8 -73.7 -14.0 52.8 11.6 22.9 58 59 A Q G X S- 0 0 107 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.586 81.2-178.7 -76.3 -11.5 50.5 14.6 22.5 59 60 A G G X + 0 0 9 -3,-1.3 3,-2.1 1,-0.3 7,-0.2 -0.206 64.3 10.8 53.1-126.0 47.9 12.6 24.5 60 61 A M G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.773 123.9 64.0 -55.0 -31.9 44.6 14.5 25.0 61 62 A A G < S+ 0 0 80 -3,-1.8 2,-0.8 1,-0.1 -1,-0.3 0.618 83.1 90.6 -70.5 -12.5 45.6 17.2 22.5 62 63 A N <> - 0 0 11 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.777 64.0-161.7 -89.8 107.5 45.6 14.5 19.7 63 64 A D H > S+ 0 0 90 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.886 89.3 49.0 -54.7 -46.2 42.2 14.4 18.2 64 65 A K H > S+ 0 0 109 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 112.4 47.9 -63.6 -41.6 42.6 11.0 16.6 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.905 112.7 49.5 -65.5 -39.7 44.0 9.5 19.8 66 67 A R H X S+ 0 0 22 -4,-2.6 4,-2.5 -7,-0.2 5,-0.2 0.924 111.9 47.4 -65.1 -44.3 41.1 11.0 21.8 67 68 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.894 114.7 47.4 -63.2 -39.9 38.5 9.7 19.3 68 69 A H H X S+ 0 0 36 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.926 112.3 49.6 -64.9 -47.5 40.2 6.3 19.4 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.892 110.5 48.0 -60.9 -46.1 40.3 6.3 23.2 70 71 A I H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 3,-0.3 0.961 113.1 48.8 -60.1 -50.5 36.7 7.2 23.8 71 72 A T H X S+ 0 0 21 -4,-1.9 4,-0.8 1,-0.2 3,-0.4 0.842 106.7 57.0 -57.9 -36.5 35.6 4.5 21.3 72 73 A L H >X S+ 0 0 45 -4,-2.0 4,-1.5 1,-0.2 3,-1.0 0.907 103.2 53.7 -62.5 -41.2 37.8 2.0 23.0 73 74 A M H 3X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.3 -1,-0.2 0.747 104.0 56.1 -65.8 -23.5 35.9 2.7 26.3 74 75 A Y H 3X S+ 0 0 13 -4,-1.0 4,-1.7 -3,-0.4 -1,-0.3 0.681 101.3 57.5 -80.9 -17.9 32.6 2.0 24.5 75 76 A A H X S+ 0 0 14 -4,-2.0 3,-1.2 1,-0.2 4,-0.6 0.951 109.3 50.7 -56.1 -54.0 31.5 -6.1 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.1 1,-0.3 4,-0.2 0.883 109.4 51.8 -52.8 -42.8 30.1 -5.2 30.5 81 82 A D H 3< S+ 0 0 65 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.694 107.8 52.1 -70.2 -19.3 26.6 -5.0 29.1 82 83 A Q H X< S+ 0 0 19 -3,-1.2 3,-1.1 -4,-1.0 7,-0.5 0.423 77.3 101.3 -96.7 0.5 26.8 -8.5 27.6 83 84 A L T << S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.794 76.2 58.7 -55.3 -31.6 27.9 -10.2 30.8 84 85 A D T 3 S+ 0 0 121 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.831 108.3 47.2 -68.6 -31.7 24.4 -11.6 31.4 85 86 A N <> - 0 0 56 -3,-1.1 4,-2.1 1,-0.1 3,-0.4 -0.900 64.2-168.0-118.9 105.0 24.4 -13.5 28.1 86 87 A P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.816 88.5 56.9 -56.7 -36.6 27.5 -15.5 27.2 87 88 A D H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -5,-0.0 0.894 111.5 42.2 -64.7 -39.9 26.4 -16.1 23.6 88 89 A D H > S+ 0 0 7 -3,-0.4 4,-1.5 2,-0.2 5,-0.2 0.838 110.6 56.2 -75.8 -33.9 26.2 -12.3 23.0 89 90 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 -7,-0.5 -2,-0.2 0.925 108.9 48.5 -62.4 -43.3 29.4 -11.6 24.9 90 91 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.901 107.6 52.6 -64.8 -43.8 31.3 -14.0 22.6 91 92 A C H X S+ 0 0 6 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.826 113.1 44.4 -65.8 -29.7 30.0 -12.6 19.3 92 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.888 112.5 51.8 -79.7 -38.6 31.0 -9.1 20.3 93 94 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.909 110.3 48.9 -61.6 -42.1 34.4 -10.2 21.5 94 95 A E H X S+ 0 0 64 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.812 107.6 56.4 -68.1 -28.7 35.0 -12.1 18.3 95 96 A K H X S+ 0 0 32 -4,-0.9 4,-1.0 -5,-0.2 -2,-0.2 0.932 112.0 40.5 -67.5 -46.4 34.0 -9.0 16.3 96 97 A F H X S+ 0 0 30 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.751 108.3 63.2 -73.5 -23.8 36.6 -6.8 18.1 97 98 A A H >X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.2 3,-1.0 0.914 99.9 52.5 -65.7 -42.7 39.1 -9.7 17.8 98 99 A V H 3X S+ 0 0 43 -4,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.886 102.0 60.9 -58.9 -39.0 39.0 -9.5 14.0 99 100 A N H 3< S+ 0 0 36 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.789 114.4 34.8 -58.9 -28.6 39.8 -5.8 14.4 100 101 A H H X<>S+ 0 0 65 -3,-1.0 5,-2.3 -4,-0.8 3,-0.7 0.750 110.8 59.7 -98.0 -29.1 43.0 -6.7 16.0 101 102 A I H ><5S+ 0 0 79 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.899 103.0 54.8 -64.8 -39.0 43.8 -9.9 14.1 102 103 A T T 3<5S+ 0 0 96 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.644 106.7 52.5 -68.7 -14.1 43.8 -7.8 10.9 103 104 A R T < 5S- 0 0 126 -3,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.189 118.9-111.2-104.8 13.8 46.4 -5.6 12.6 104 105 A K T < 5 + 0 0 172 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.833 62.4 156.3 61.2 36.9 48.7 -8.5 13.4 105 106 A I < - 0 0 25 -5,-2.3 -1,-0.2 4,-0.0 -2,-0.1 -0.850 27.5-152.3 -98.7 120.2 48.1 -8.3 17.2 106 107 A S > - 0 0 52 -2,-0.6 4,-2.2 39,-0.1 5,-0.2 -0.323 28.5-107.4 -85.4 169.9 48.7 -11.5 19.1 107 108 A A H > S+ 0 0 33 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.896 120.2 53.1 -61.9 -40.4 47.1 -12.7 22.3 108 109 A A H 4 S+ 0 0 78 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.943 112.5 41.3 -61.5 -51.4 50.4 -12.1 24.1 109 110 A E H >4 S+ 0 0 43 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.814 110.6 57.5 -69.1 -29.1 50.7 -8.4 22.9 110 111 A F H >< S+ 0 0 37 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.846 98.8 63.1 -67.4 -31.5 47.0 -7.8 23.5 111 112 A G G >< S+ 0 0 13 -4,-1.5 3,-1.8 1,-0.3 4,-0.3 0.592 78.5 84.4 -68.7 -10.2 47.6 -8.9 27.1 112 113 A K G < S+ 0 0 55 -3,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.574 74.5 74.5 -69.5 -6.2 50.0 -5.9 27.5 113 114 A I G <> S+ 0 0 31 -3,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.610 76.6 77.2 -80.6 -12.2 46.9 -3.9 28.3 114 115 A N H <> S+ 0 0 50 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.864 89.5 55.7 -65.0 -36.4 46.7 -5.5 31.7 115 116 A G H > S+ 0 0 30 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.972 110.1 43.0 -60.8 -56.4 49.4 -3.3 33.0 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.892 112.8 53.7 -57.6 -42.2 47.7 -0.0 32.1 117 118 A I H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.897 107.7 49.8 -61.2 -41.7 44.3 -1.3 33.4 118 119 A K H X S+ 0 0 102 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.894 114.0 46.3 -64.8 -38.5 45.8 -2.2 36.8 119 120 A K H X S+ 0 0 104 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.909 111.9 48.7 -70.7 -43.4 47.4 1.3 37.1 120 121 A V H < S+ 0 0 9 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.905 115.9 46.1 -63.1 -38.9 44.3 3.2 36.0 121 122 A L H ><>S+ 0 0 3 -4,-2.3 5,-2.4 -5,-0.2 3,-1.3 0.904 108.8 55.2 -68.5 -42.3 42.3 1.1 38.5 122 123 A A H ><5S+ 0 0 58 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.885 102.7 55.6 -58.6 -41.3 44.9 1.7 41.2 123 124 A S T 3<5S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.644 106.8 51.8 -67.4 -13.7 44.7 5.4 40.8 124 125 A K T < 5S- 0 0 76 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.271 125.8-103.3-103.3 7.0 40.9 5.1 41.5 125 126 A N T < 5S+ 0 0 152 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.742 80.0 131.7 77.9 26.2 41.6 3.1 44.6 126 127 A F < - 0 0 33 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.949 41.0-158.6-111.1 116.0 40.8 -0.4 43.2 127 128 A G >> - 0 0 39 -2,-0.6 4,-1.9 -3,-0.1 3,-1.3 0.095 40.0 -62.2 -83.2-166.6 43.4 -2.9 44.0 128 129 A D H 3> S+ 0 0 110 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.788 124.7 67.4 -45.2 -38.2 44.7 -6.3 42.7 129 130 A K H 3> S+ 0 0 123 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.931 109.6 35.4 -50.9 -49.8 41.3 -7.8 43.4 130 131 A Y H <> S+ 0 0 46 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.821 113.8 58.1 -75.6 -32.4 39.7 -5.7 40.6 131 132 A A H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.908 107.3 48.4 -63.7 -41.3 42.8 -5.9 38.4 132 133 A N H X S+ 0 0 99 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.869 107.1 55.7 -66.4 -38.3 42.6 -9.7 38.4 133 134 A A H X S+ 0 0 5 -4,-1.3 4,-1.2 -5,-0.3 3,-0.2 0.912 109.8 45.8 -61.3 -42.7 38.9 -9.5 37.6 134 135 A W H X S+ 0 0 7 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.814 104.4 62.2 -70.4 -29.8 39.6 -7.4 34.5 135 136 A A H X S+ 0 0 31 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.870 102.1 52.7 -62.4 -35.8 42.4 -9.7 33.5 136 137 A K H X S+ 0 0 86 -4,-1.5 4,-0.8 -3,-0.2 -1,-0.2 0.878 108.7 48.1 -67.6 -38.8 39.8 -12.5 33.2 137 138 A L H >X S+ 0 0 3 -4,-1.2 4,-1.1 1,-0.2 3,-0.9 0.925 112.0 49.4 -67.1 -43.4 37.7 -10.4 30.9 138 139 A V H 3X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.3 3,-0.4 0.866 103.6 62.3 -61.4 -35.6 40.8 -9.5 28.8 139 140 A A H 3X S+ 0 0 38 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.780 96.3 59.3 -61.1 -28.3 41.5 -13.3 28.8 140 141 A V H << S+ 0 0 0 -3,-0.9 4,-0.5 -4,-0.8 -1,-0.2 0.904 107.7 44.4 -68.0 -40.7 38.2 -13.8 26.9 141 142 A V H >X S+ 0 0 1 -4,-1.1 3,-1.5 -3,-0.4 4,-0.5 0.911 109.5 56.7 -68.7 -42.0 39.4 -11.6 24.1 142 143 A Q H >< S+ 0 0 49 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.879 99.0 60.3 -56.5 -39.5 42.8 -13.2 24.1 143 144 A A T 3< S+ 0 0 42 -4,-1.8 -141,-0.3 1,-0.3 -1,-0.3 0.724 104.6 50.9 -61.7 -21.9 41.2 -16.6 23.5 144 145 A A T <4 0 0 23 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.521 360.0 360.0 -94.0 -7.2 39.8 -15.3 20.3 145 146 A L << 0 0 66 -3,-1.5 -39,-0.1 -4,-0.5 -47,-0.1 -0.337 360.0 360.0 -90.0 360.0 43.1 -13.9 18.9 146 !* 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 90 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.8 33.1 21.2 7.9 148 3 B V H > + 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.873 360.0 55.7 -64.9 -35.6 32.1 18.4 10.3 149 4 B Y H > S+ 0 0 106 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.890 105.7 50.6 -63.3 -40.1 32.5 20.9 13.1 150 5 B D H > S+ 0 0 103 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.901 110.5 49.1 -65.0 -41.2 30.0 23.2 11.4 151 6 B A H < S+ 0 0 24 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.862 116.8 42.0 -66.4 -37.3 27.5 20.4 10.9 152 7 B A H >< S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.932 109.4 56.0 -75.1 -48.4 27.8 19.3 14.6 153 8 B A H 3< S+ 0 0 56 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 101.7 61.4 -59.2 -16.7 27.8 22.8 16.1 154 9 B Q T 3< S+ 0 0 96 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.3 0.634 71.1 113.1 -87.4 -14.5 24.5 23.4 14.3 155 10 B L < - 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