==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 29-AUG-05 2AV3 . COMPND 2 MOLECULE: GLOBIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,M.A.BONHAM,Q.H.GIBSON,J.C.NICHOLS,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 86.6 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 . 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 2 0 0 0 0 2 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,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 158.1 13.8 -11.6 24.1 2 3 A V H > + 0 0 8 141,-0.3 4,-1.9 1,-0.2 5,-0.1 0.805 360.0 56.6 -64.7 -28.4 11.8 -8.5 24.4 3 4 A Y H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.875 109.3 43.3 -71.5 -38.5 8.9 -10.5 25.9 4 5 A D H 4 S+ 0 0 105 2,-0.2 4,-0.5 -3,-0.2 -2,-0.2 0.873 113.6 52.5 -73.7 -37.0 10.9 -11.9 28.7 5 6 A A H >< S+ 0 0 17 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.870 106.9 52.3 -66.2 -37.3 12.5 -8.5 29.4 6 7 A A H >< S+ 0 0 10 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.834 101.2 61.4 -68.3 -30.7 9.1 -6.9 29.6 7 8 A A T 3< S+ 0 0 74 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 89.9 71.3 -69.3 -14.4 8.0 -9.5 32.2 8 9 A Q T < S+ 0 0 107 -3,-1.0 2,-1.6 -4,-0.5 -1,-0.3 0.518 70.9 96.2 -79.3 -5.6 10.8 -8.2 34.4 9 10 A L < - 0 0 16 -3,-1.6 -1,-0.1 -4,-0.1 -3,-0.0 -0.640 64.8-175.6 -87.5 82.8 8.8 -5.0 35.0 10 11 A T > - 0 0 72 -2,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.118 40.7 -89.7 -73.1 173.1 7.3 -6.2 38.3 11 12 A A H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.893 126.6 43.3 -51.5 -49.8 4.7 -4.2 40.4 12 13 A D H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 112.0 53.7 -69.6 -32.9 7.2 -2.4 42.5 13 14 A V H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.942 110.0 47.8 -65.4 -45.9 9.4 -1.6 39.5 14 15 A K H X S+ 0 0 57 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 111.7 51.0 -60.2 -43.4 6.5 -0.1 37.6 15 16 A K H X S+ 0 0 111 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.927 109.5 48.6 -61.6 -46.4 5.5 2.0 40.7 16 17 A D H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.836 109.9 53.6 -64.0 -32.1 9.1 3.4 41.1 17 18 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.928 111.7 44.8 -66.3 -45.3 9.1 4.3 37.4 18 19 A R H X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 112.0 50.8 -65.2 -46.7 5.9 6.2 37.8 19 20 A D H X S+ 0 0 58 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.895 116.3 41.1 -59.5 -42.0 6.8 8.0 41.0 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 3,-0.8 0.880 112.4 53.4 -75.4 -37.3 10.1 9.2 39.5 21 22 A W H 3X S+ 0 0 15 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.859 96.1 69.7 -63.8 -33.9 8.7 10.1 36.1 22 23 A K H 3< S+ 0 0 162 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 113.5 28.5 -49.5 -39.1 6.1 12.2 37.9 23 24 A V H X< S+ 0 0 55 -3,-0.8 3,-1.3 -4,-0.6 4,-0.4 0.923 124.9 43.3 -89.8 -53.3 9.0 14.5 38.8 24 25 A I H >< S+ 0 0 14 -4,-2.7 3,-1.0 1,-0.3 7,-0.2 0.876 112.5 54.1 -62.6 -38.2 11.5 14.0 35.9 25 26 A G T 3< S+ 0 0 6 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.3 0.486 89.8 78.2 -76.7 -1.0 8.8 14.1 33.3 26 27 A S T < S+ 0 0 96 -3,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.763 102.2 35.9 -77.8 -24.8 7.5 17.4 34.5 27 28 A D <> + 0 0 73 -3,-1.0 4,-2.4 -4,-0.4 5,-0.4 -0.692 69.0 165.8-128.2 76.5 10.3 19.3 32.8 28 29 A K H > S+ 0 0 34 -3,-0.5 4,-1.2 -2,-0.3 5,-0.2 0.840 76.1 48.4 -62.5 -35.6 10.9 17.5 29.5 29 30 A K H > S+ 0 0 64 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.963 116.6 39.9 -71.2 -51.3 13.0 20.2 28.0 30 31 A G H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.942 123.5 37.8 -64.1 -50.0 15.3 20.8 30.9 31 32 A N H X S+ 0 0 9 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 0.815 114.2 57.1 -72.8 -29.9 15.8 17.2 32.0 32 33 A G H X S+ 0 0 0 -4,-1.2 4,-1.8 -5,-0.4 -2,-0.2 0.924 111.2 41.7 -66.3 -44.0 15.9 16.0 28.4 33 34 A V H X S+ 0 0 10 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.879 112.9 54.2 -70.2 -37.0 18.7 18.4 27.5 34 35 A A H X S+ 0 0 32 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.918 107.5 52.1 -61.5 -41.9 20.5 17.5 30.8 35 36 A L H X S+ 0 0 9 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.931 113.4 42.7 -59.0 -49.6 20.2 13.8 29.9 36 37 A M H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.896 112.6 51.1 -67.2 -43.5 21.8 14.4 26.4 37 38 A T H X S+ 0 0 48 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.879 110.3 50.7 -63.6 -36.0 24.6 16.7 27.6 38 39 A T H X S+ 0 0 32 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.867 107.8 53.6 -68.5 -36.0 25.6 14.2 30.3 39 40 A L H X S+ 0 0 13 -4,-1.6 4,-2.3 1,-0.2 7,-0.2 0.943 111.1 45.0 -62.8 -47.2 25.7 11.4 27.7 40 41 A F H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.783 114.8 49.4 -68.3 -27.8 28.1 13.5 25.5 41 42 A A H < S+ 0 0 62 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.915 120.1 33.0 -77.8 -45.6 30.2 14.4 28.5 42 43 A D H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 2,-0.2 0.748 131.6 33.7 -83.2 -24.6 30.6 11.0 30.0 43 44 A N >< + 0 0 35 -4,-2.3 3,-2.2 -5,-0.3 4,-0.3 -0.563 62.2 166.3-132.7 70.6 30.6 9.1 26.7 44 45 A Q G > S+ 0 0 124 -3,-0.4 3,-1.7 1,-0.3 4,-0.4 0.761 72.0 73.2 -52.7 -29.8 32.3 11.4 24.0 45 46 A E G > S+ 0 0 103 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.751 89.0 60.2 -59.6 -25.2 32.5 8.4 21.7 46 47 A T G X S+ 0 0 5 -3,-2.2 3,-1.3 -7,-0.2 4,-0.4 0.621 80.9 84.3 -79.4 -13.8 28.7 8.6 21.2 47 48 A I G X S+ 0 0 51 -3,-1.7 3,-2.2 -4,-0.3 -1,-0.2 0.862 76.8 69.4 -57.2 -37.2 28.9 12.1 19.7 48 49 A G G X S+ 0 0 39 -3,-0.6 3,-1.0 -4,-0.4 -1,-0.3 0.801 91.9 58.6 -52.0 -33.5 29.7 10.7 16.3 49 50 A Y G < S+ 0 0 111 -3,-1.3 -1,-0.3 1,-0.2 3,-0.3 0.690 103.3 55.2 -70.9 -17.6 26.2 9.3 15.9 50 51 A F G X + 0 0 45 -3,-2.2 3,-1.3 -4,-0.4 4,-0.4 -0.072 62.5 129.8-108.7 33.8 24.8 12.8 16.3 51 52 A K G X + 0 0 176 -3,-1.0 3,-1.7 1,-0.3 -1,-0.2 0.858 69.0 62.0 -53.6 -40.6 26.6 14.6 13.6 52 53 A R G 3 S+ 0 0 103 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.811 94.0 64.2 -57.8 -31.6 23.4 16.1 12.2 53 54 A L G < S- 0 0 7 -3,-1.3 12,-0.3 1,-0.2 -1,-0.3 0.670 93.3-155.7 -67.9 -18.8 22.8 17.9 15.5 54 55 A G < + 0 0 48 -3,-1.7 2,-1.5 -4,-0.4 -1,-0.2 -0.546 60.0 16.5 82.9-143.9 25.9 20.0 15.0 55 56 A D > - 0 0 83 -2,-0.2 3,-1.6 1,-0.2 4,-0.2 -0.534 64.4-175.1 -74.2 91.5 27.8 21.6 17.9 56 57 A V G > S+ 0 0 17 -2,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.671 72.6 72.7 -60.2 -22.2 26.4 19.6 20.8 57 58 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.622 79.2 75.5 -73.1 -11.4 28.3 21.7 23.4 58 59 A Q G X S- 0 0 108 -3,-1.6 3,-1.6 1,-0.2 -1,-0.3 0.686 78.7-178.8 -72.2 -17.5 25.9 24.6 22.9 59 60 A G G X + 0 0 9 -3,-1.3 3,-2.3 1,-0.3 7,-0.3 -0.297 63.2 10.6 59.2-130.9 23.3 22.7 24.8 60 61 A M G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.761 125.9 62.4 -50.9 -31.9 20.0 24.4 25.2 61 62 A A G < S+ 0 0 71 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.662 82.1 89.3 -71.7 -18.4 21.0 27.0 22.6 62 63 A N <> - 0 0 20 -3,-2.3 4,-2.8 1,-0.2 5,-0.2 -0.748 66.2-159.8 -83.6 109.5 21.3 24.3 19.9 63 64 A D H > S+ 0 0 78 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.855 89.0 49.2 -57.9 -41.0 17.9 24.1 18.3 64 65 A K H > S+ 0 0 94 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 112.6 47.4 -68.5 -38.7 18.4 20.7 16.8 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.933 112.9 49.3 -67.2 -44.2 19.7 19.3 20.1 66 67 A R H X S+ 0 0 16 -4,-2.8 4,-2.3 -7,-0.3 5,-0.2 0.922 111.1 49.9 -61.0 -43.0 16.8 20.9 22.0 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 112.8 46.5 -61.7 -43.6 14.3 19.4 19.5 68 69 A H H X S+ 0 0 27 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.927 112.0 51.0 -63.6 -45.9 15.9 15.9 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.897 110.7 46.7 -60.5 -44.6 15.9 16.1 23.6 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.926 113.6 49.8 -63.8 -43.8 12.3 17.1 24.0 71 72 A T H X S+ 0 0 44 -4,-1.9 4,-0.9 -5,-0.2 3,-0.4 0.868 105.6 56.3 -63.3 -38.7 11.3 14.4 21.5 72 73 A L H >X S+ 0 0 42 -4,-2.4 4,-1.4 1,-0.2 3,-0.8 0.892 103.5 55.5 -60.9 -39.1 13.3 11.8 23.4 73 74 A M H 3X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.792 101.5 56.5 -66.0 -28.1 11.4 12.6 26.5 74 75 A Y H 3X S+ 0 0 13 -4,-1.0 4,-1.8 -3,-0.4 -1,-0.2 0.720 101.8 56.7 -76.5 -19.3 8.0 11.9 24.8 75 76 A A H < S+ 0 0 10 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.911 111.3 49.8 -55.2 -48.2 6.8 3.9 27.6 80 81 A I H >< S+ 0 0 5 -4,-2.7 3,-1.4 1,-0.3 4,-0.2 0.905 108.9 53.0 -59.2 -42.4 5.5 4.9 31.0 81 82 A D H 3< S+ 0 0 61 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.718 107.8 52.2 -67.3 -20.1 2.0 5.2 29.7 82 83 A Q T X< S+ 0 0 19 -4,-1.1 3,-1.2 -3,-0.8 7,-0.5 0.392 76.0 102.6 -95.9 2.9 2.1 1.7 28.3 83 84 A L T < S+ 0 0 6 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.796 74.0 61.9 -57.5 -28.1 3.2 0.0 31.6 84 85 A D T 3 S+ 0 0 120 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.818 106.6 44.8 -67.7 -31.1 -0.3 -1.3 32.3 85 86 A N X> - 0 0 55 -3,-1.2 4,-2.4 1,-0.1 3,-0.8 -0.901 64.2-164.8-122.0 104.3 -0.4 -3.4 29.1 86 87 A P H 3> S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 91.7 56.8 -52.8 -37.8 2.7 -5.5 28.3 87 88 A D H 3> S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.876 110.5 43.3 -64.2 -37.5 1.5 -6.1 24.7 88 89 A D H <> S+ 0 0 8 -3,-0.8 4,-1.8 -6,-0.2 5,-0.2 0.888 112.3 53.1 -75.3 -38.6 1.3 -2.4 24.1 89 90 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 -7,-0.5 -2,-0.2 0.946 109.6 49.2 -60.4 -47.8 4.7 -1.7 25.8 90 91 A V H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.914 109.5 50.6 -59.4 -44.9 6.4 -4.3 23.6 91 92 A C H X S+ 0 0 6 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.851 112.8 45.3 -67.3 -30.6 5.0 -3.0 20.3 92 93 A V H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.847 112.7 51.9 -79.5 -30.3 6.0 0.6 21.1 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.935 110.9 46.7 -67.8 -45.6 9.5 -0.5 22.2 94 95 A E H X S+ 0 0 77 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.867 109.7 55.3 -64.5 -33.8 10.0 -2.5 19.0 95 96 A K H X S+ 0 0 46 -4,-1.4 4,-0.6 -5,-0.2 3,-0.4 0.933 109.3 46.4 -62.8 -45.1 8.8 0.5 17.0 96 97 A L H X S+ 0 0 47 -4,-2.0 4,-0.9 1,-0.2 3,-0.3 0.883 107.1 59.3 -64.2 -38.9 11.4 2.7 18.6 97 98 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.823 88.9 75.5 -60.9 -33.8 14.1 0.0 18.0 98 99 A V H X S+ 0 0 33 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.907 99.6 38.6 -45.4 -60.9 13.6 0.1 14.2 99 100 A N H X S+ 0 0 50 -4,-0.6 4,-1.6 -3,-0.3 -1,-0.2 0.802 115.3 54.4 -65.7 -28.7 15.4 3.4 13.6 100 101 A H H <>S+ 0 0 42 -4,-0.9 5,-2.8 2,-0.2 -1,-0.2 0.864 107.5 49.9 -73.1 -33.6 18.1 2.6 16.1 101 102 A I H ><5S+ 0 0 83 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.924 108.4 53.9 -67.3 -41.7 18.8 -0.7 14.4 102 103 A T H 3<5S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.872 107.6 49.7 -58.3 -39.1 19.1 1.1 11.1 103 104 A R T 3<5S- 0 0 112 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.383 117.5-118.0 -80.9 3.5 21.6 3.5 12.7 104 105 A K T < 5 + 0 0 174 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.883 54.1 164.1 60.7 42.1 23.5 0.4 13.9 105 106 A I < - 0 0 18 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.831 25.6-148.0 -92.2 116.8 23.1 1.3 17.6 106 107 A S > - 0 0 52 -2,-0.7 4,-2.7 39,-0.1 5,-0.2 -0.304 25.3-106.9 -80.9 167.9 23.8 -1.9 19.6 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.897 122.9 51.6 -59.8 -40.7 22.3 -2.9 22.9 108 109 A A H 4 S+ 0 0 78 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.885 110.6 47.7 -64.7 -38.7 25.6 -2.1 24.6 109 110 A E H >4 S+ 0 0 38 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.917 111.7 49.6 -67.5 -45.0 25.7 1.4 23.0 110 111 A F H >< S+ 0 0 39 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.876 101.1 65.4 -61.4 -38.6 22.0 2.1 23.9 111 112 A G G >< S+ 0 0 13 -4,-2.2 3,-1.6 1,-0.3 4,-0.3 0.602 79.0 82.4 -61.8 -12.2 22.8 1.0 27.5 112 113 A K G X S+ 0 0 56 -3,-1.4 3,-0.6 -4,-0.3 -1,-0.3 0.636 75.3 73.8 -68.9 -10.7 25.1 4.0 27.9 113 114 A I G <> S+ 0 0 28 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.687 77.8 77.3 -75.6 -16.1 22.0 6.1 28.6 114 115 A N H <> S+ 0 0 46 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.876 89.1 54.6 -60.9 -40.0 21.8 4.4 32.1 115 116 A G H <> S+ 0 0 33 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.967 110.6 44.3 -58.8 -55.3 24.6 6.6 33.4 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 113.3 51.5 -57.2 -41.6 22.9 9.9 32.4 117 118 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M H 3X S+ 0 0 1 -4,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.771 100.6 57.3 -65.8 -26.1 -0.1 10.3 18.9 220 75 B Y H < S+ 0 0 9 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.918 111.2 49.9 -58.0 -47.6 3.2 19.5 19.4 226 81 B I H >< S+ 0 0 10 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.911 108.9 53.1 -59.7 -42.4 0.2 20.4 21.6 227 82 B D H 3< S+ 0 0 78 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.755 109.9 48.6 -65.3 -24.6 2.5 20.8 24.7 228 83 B Q T X< S+ 0 0 22 -4,-1.3 3,-2.1 -3,-0.6 7,-0.5 0.403 77.1 107.1 -96.0 2.5 4.8 23.2 22.8 229 84 B L T < S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.829 74.9 55.2 -51.2 -38.3 2.1 25.5 21.4 230 85 B D T 3 S+ 0 0 108 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.498 106.8 52.8 -77.4 -2.3 2.9 28.4 23.8 231 86 B N X> - 0 0 58 -3,-2.1 4,-2.7 1,-0.1 3,-0.9 -0.791 62.9-171.7-134.5 92.5 6.5 28.6 22.8 232 87 B P H 3> S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.796 85.7 61.2 -53.5 -30.9 7.1 28.9 19.0 233 88 B D H 3> S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.915 112.3 37.5 -63.8 -40.8 10.8 28.4 19.4 234 89 B D H <> S+ 0 0 8 -3,-0.9 4,-2.0 2,-0.2 5,-0.2 0.876 114.8 54.1 -77.3 -39.1 10.2 25.0 20.9 235 90 B L H X S+ 0 0 3 -4,-2.7 4,-1.9 -7,-0.5 5,-0.2 0.946 110.1 48.8 -59.5 -45.9 7.3 24.1 18.6 236 91 B V H X S+ 0 0 3 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.916 109.4 50.4 -61.8 -43.4 9.5 24.9 15.6 237 92 B C H X S+ 0 0 5 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.864 112.7 45.7 -67.9 -31.6 12.4 22.8 16.7 238 93 B V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.811 112.4 51.8 -79.4 -26.6 10.3 19.7 17.4 239 94 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.2 47.9 -72.3 -42.4 8.4 20.1 14.1 240 95 B E H X S+ 0 0 86 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.848 109.7 54.6 -65.6 -31.1 11.7 20.3 12.2 241 96 B K H X S+ 0 0 48 -4,-1.2 4,-0.7 -5,-0.2 3,-0.5 0.950 108.9 47.3 -64.1 -49.2 12.9 17.2 14.1 242 97 B L H X S+ 0 0 44 -4,-2.0 4,-0.9 1,-0.2 3,-0.4 0.885 107.8 57.7 -58.7 -41.2 9.8 15.3 13.0 243 98 B A H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.821 89.2 75.0 -61.8 -34.2 10.3 16.4 9.4 244 99 B V H X S+ 0 0 37 -4,-1.3 4,-2.0 -3,-0.5 -1,-0.2 0.906 100.5 38.7 -46.5 -56.8 13.8 15.0 9.1 245 100 B N H X S+ 0 0 56 -4,-0.7 4,-1.4 -3,-0.4 -1,-0.2 0.805 115.2 53.8 -69.0 -28.0 12.8 11.3 8.8 246 101 B H H <>S+ 0 0 41 -4,-0.9 5,-2.5 2,-0.2 -1,-0.2 0.847 107.2 51.1 -74.5 -31.8 9.8 12.1 6.6 247 102 B I H ><5S+ 0 0 84 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.942 108.6 51.7 -67.2 -45.7 12.0 14.0 4.2 248 103 B T H 3<5S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.4 54.4 -58.9 -33.3 14.3 11.0 4.0 249 104 B R T 3<5S- 0 0 102 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.429 116.5-120.4 -80.1 1.0 11.3 8.9 3.2 250 105 B K T < 5 + 0 0 175 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.880 54.9 160.5 60.8 42.8 10.6 11.3 0.4 251 106 B I < - 0 0 22 -5,-2.5 -1,-0.2 4,-0.0 -2,-0.1 -0.865 27.6-148.4 -98.1 112.5 7.2 12.3 1.7 252 107 B S > - 0 0 57 -2,-0.7 4,-2.6 39,-0.1 5,-0.2 -0.213 25.9-106.5 -74.9 168.7 6.1 15.6 0.2 253 108 B A H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.865 121.8 53.2 -63.4 -36.2 4.0 18.3 1.8 254 109 B A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.919 110.6 45.6 -65.0 -44.2 1.1 17.3 -0.5 255 110 B E H >4 S+ 0 0 36 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.923 111.7 52.0 -64.9 -45.0 1.4 13.7 0.6 256 111 B F H >< S+ 0 0 42 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.864 100.2 64.5 -60.2 -36.6 1.7 14.6 4.2 257 112 B G G >< S+ 0 0 13 -4,-2.0 3,-1.8 1,-0.3 4,-0.3 0.613 78.0 84.1 -64.4 -11.6 -1.5 16.7 3.9 258 113 B K G X S+ 0 0 52 -3,-1.7 3,-0.7 -4,-0.3 -1,-0.3 0.691 76.1 72.5 -65.4 -14.5 -3.5 13.6 3.2 259 114 B I G <> S+ 0 0 26 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.663 77.6 78.7 -73.8 -15.8 -3.7 13.2 6.9 260 115 B N H <> S+ 0 0 48 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.875 89.3 52.7 -60.8 -40.1 -6.2 16.1 7.1 261 116 B G H <> S+ 0 0 35 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.945 110.0 47.1 -62.1 -50.1 -9.1 14.0 6.0 262 117 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.892 112.1 50.8 -58.5 -41.5 -8.6 11.3 8.6 263 118 B I H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.943 108.1 52.3 -63.0 -45.9 -8.2 13.9 11.4 264 119 B K H X S+ 0 0 93 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.894 113.0 45.6 -56.7 -40.8 -11.4 15.6 10.3 265 120 B K H X S+ 0 0 111 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.904 111.9 48.8 -71.5 -42.4 -13.2 12.3 10.5 266 121 B V H X S+ 0 0 9 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.920 112.6 50.0 -63.4 -42.0 -11.8 11.3 13.9 267 122 B L H ><>S+ 0 0 3 -4,-2.9 5,-2.4 1,-0.2 3,-1.2 0.933 109.9 50.3 -60.6 -46.9 -12.7 14.7 15.3 268 123 B A H ><5S+ 0 0 55 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.823 100.9 61.9 -62.8 -32.1 -16.2 14.4 14.0 269 124 B S H 3<5S+ 0 0 78 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.755 108.9 44.1 -65.8 -20.7 -16.7 11.0 15.5 270 125 B K T <<5S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.181 127.5-104.4-105.3 12.4 -16.1 12.7 18.8 271 126 B N T < 5S+ 0 0 153 -3,-1.9 2,-0.7 1,-0.2 -3,-0.3 0.743 73.0 141.9 69.6 31.6 -18.4 15.6 17.8 272 127 B F < - 0 0 28 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.905 38.0-152.8-103.0 111.8 -15.8 18.2 17.0 273 128 B G >> - 0 0 42 -2,-0.7 4,-1.6 -3,-0.1 3,-1.1 0.189 36.4 -66.3 -74.0-167.5 -17.0 20.1 13.9 274 129 B D H 3> S+ 0 0 101 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.791 124.2 67.2 -50.4 -37.5 -15.3 22.1 11.1 275 130 B K H 3> S+ 0 0 122 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.923 108.0 38.9 -51.0 -48.1 -14.0 24.7 13.4 276 131 B Y H <> S+ 0 0 50 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.848 111.7 56.2 -73.8 -36.9 -11.7 22.2 15.0 277 132 B A H X S+ 0 0 13 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.907 107.4 50.7 -62.9 -40.0 -10.8 20.4 11.8 278 133 B N H X S+ 0 0 96 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.868 108.0 52.4 -65.1 -36.9 -9.6 23.8 10.4 279 134 B A H X S+ 0 0 3 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.922 110.5 47.9 -64.7 -43.8 -7.5 24.4 13.5 280 135 B W H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.853 105.7 57.6 -66.3 -33.8 -5.9 21.0 13.1 281 136 B A H X S+ 0 0 32 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.867 104.3 54.3 -63.8 -34.0 -5.2 21.7 9.4 282 137 B K H X S+ 0 0 84 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.844 108.2 47.6 -69.0 -32.9 -3.3 24.7 10.5 283 138 B L H >X S+ 0 0 3 -4,-1.2 4,-1.1 2,-0.2 3,-1.0 0.915 111.1 50.9 -72.9 -42.5 -1.1 22.7 12.8 284 139 B V H 3X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.3 3,-0.3 0.853 103.0 62.0 -61.5 -32.5 -0.5 20.1 10.0 285 140 B A H 3X S+ 0 0 35 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.780 95.2 60.1 -64.7 -27.4 0.5 23.1 7.8 286 141 B V H << S+ 0 0 0 -3,-1.0 4,-0.4 -4,-0.7 -1,-0.2 0.907 108.6 43.5 -67.1 -39.8 3.4 23.9 10.2 287 142 B V H >X S+ 0 0 3 -4,-1.1 3,-1.9 -3,-0.3 4,-0.6 0.923 109.7 57.0 -69.7 -43.1 4.8 20.4 9.4 288 143 B Q H >< S+ 0 0 50 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.848 99.1 60.7 -56.0 -34.8 4.1 20.8 5.7 289 144 B A T 3< S+ 0 0 29 -4,-1.7 -1,-0.3 1,-0.2 -141,-0.2 0.698 104.0 50.5 -66.7 -18.4 6.2 24.0 5.7 290 145 B A T <4 0 0 20 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.508 360.0 360.0 -96.9 -6.6 9.2 21.9 6.8 291 146 B L << 0 0 66 -3,-1.1 -39,-0.1 -4,-0.6 -47,-0.1 -0.400 360.0 360.0 -97.0 360.0 8.8 19.3 4.1