==== 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 STORAGE/TRANSPORT 10-FEB-03 1NXF . COMPND 2 MOLECULE: GLOBIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR 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) . 13828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 86.2 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 3 0 3 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 90 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 144.6 13.9 -11.9 24.3 2 3 A V H > + 0 0 9 141,-0.4 4,-2.4 1,-0.2 5,-0.2 0.871 360.0 56.5 -59.8 -36.7 11.9 -8.7 24.6 3 4 A Y H > S+ 0 0 133 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.864 110.5 43.8 -64.6 -34.4 8.9 -10.6 25.8 4 5 A D H 4 S+ 0 0 106 -3,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.866 112.3 52.6 -76.4 -37.6 10.9 -12.1 28.7 5 6 A A H >< S+ 0 0 17 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.878 105.0 55.3 -65.1 -38.7 12.5 -8.8 29.5 6 7 A A H >< S+ 0 0 10 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.824 98.9 62.4 -64.4 -30.4 9.1 -7.1 29.7 7 8 A A T 3< S+ 0 0 75 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.638 88.8 71.8 -69.7 -13.2 8.0 -9.7 32.3 8 9 A Q T < + 0 0 105 -3,-1.5 2,-1.8 -4,-0.3 -1,-0.3 0.582 69.9 98.2 -78.1 -10.3 10.8 -8.4 34.6 9 10 A L < - 0 0 16 -3,-1.6 -1,-0.1 -4,-0.2 -3,-0.0 -0.583 63.4-174.5 -82.0 83.1 8.8 -5.2 35.2 10 11 A T > - 0 0 70 -2,-1.8 4,-2.6 1,-0.1 5,-0.2 -0.138 39.7 -92.8 -71.9 170.9 7.3 -6.3 38.5 11 12 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.912 125.6 44.2 -52.5 -51.2 4.6 -4.4 40.5 12 13 A D H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.821 111.3 54.2 -68.0 -30.3 7.1 -2.5 42.6 13 14 A V H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.936 109.7 47.4 -68.4 -44.3 9.4 -1.7 39.6 14 15 A K H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.917 111.2 52.2 -61.6 -41.4 6.5 -0.2 37.7 15 16 A K H X S+ 0 0 111 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.912 109.5 48.0 -61.3 -44.3 5.5 1.8 40.8 16 17 A D H X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.850 109.9 53.5 -66.6 -32.7 9.0 3.3 41.2 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 112.4 44.3 -66.6 -43.9 9.1 4.1 37.5 18 19 A R H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 112.3 50.4 -66.6 -47.2 5.9 6.1 37.8 19 20 A D H X S+ 0 0 58 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.895 116.0 41.9 -60.2 -41.8 6.7 7.9 41.0 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 3,-1.0 0.886 111.7 54.7 -74.0 -37.4 10.1 9.1 39.7 21 22 A W H 3X S+ 0 0 15 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.846 95.4 68.2 -64.4 -31.3 8.7 9.9 36.2 22 23 A K H 3< S+ 0 0 159 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.840 113.6 30.6 -55.7 -32.3 6.1 12.2 37.9 23 24 A V H X< S+ 0 0 61 -3,-1.0 3,-1.2 -4,-0.5 4,-0.4 0.908 124.0 43.8 -91.3 -53.6 9.0 14.4 38.9 24 25 A I H >< S+ 0 0 13 -4,-2.6 3,-1.1 1,-0.3 7,-0.2 0.887 112.7 52.4 -60.5 -43.1 11.4 13.9 36.0 25 26 A G T 3< S+ 0 0 6 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.3 0.520 89.8 81.6 -73.3 -3.9 8.8 14.1 33.3 26 27 A S T < S+ 0 0 96 -3,-1.2 2,-0.4 1,-0.3 -1,-0.2 0.795 101.2 33.8 -70.0 -30.5 7.5 17.4 34.7 27 28 A D <> + 0 0 78 -3,-1.1 4,-2.5 -4,-0.4 5,-0.4 -0.731 68.8 165.9-128.1 80.7 10.3 19.3 32.9 28 29 A K H > S+ 0 0 36 -3,-0.5 4,-1.9 -2,-0.4 5,-0.2 0.884 76.8 48.6 -63.7 -41.0 10.9 17.5 29.6 29 30 A K H > S+ 0 0 64 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.970 117.8 39.0 -65.9 -51.9 12.9 20.2 28.0 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 123.1 39.4 -64.2 -48.7 15.3 20.8 31.0 31 32 A N H X S+ 0 0 10 -4,-2.5 4,-2.1 -7,-0.2 -1,-0.2 0.813 113.4 56.8 -73.1 -29.3 15.7 17.1 32.0 32 33 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.4 -2,-0.2 0.954 110.8 42.0 -65.9 -49.5 15.8 16.0 28.4 33 34 A V H X S+ 0 0 11 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.882 112.8 55.2 -64.7 -37.5 18.8 18.3 27.5 34 35 A A H X S+ 0 0 31 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.905 107.3 50.4 -61.0 -41.8 20.4 17.4 30.9 35 36 A L H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.926 114.5 42.9 -62.3 -47.2 20.2 13.7 29.9 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.888 112.6 51.3 -67.8 -41.9 21.8 14.2 26.5 37 38 A T H X S+ 0 0 49 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.868 110.4 50.3 -65.5 -34.1 24.5 16.6 27.7 38 39 A T H X S+ 0 0 29 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.875 108.3 52.6 -70.3 -38.3 25.5 14.1 30.4 39 40 A L H X S+ 0 0 16 -4,-1.6 4,-2.3 1,-0.2 7,-0.2 0.931 111.3 45.8 -62.4 -46.7 25.7 11.3 27.9 40 41 A F H < S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.8 47.3 -67.0 -30.5 28.0 13.3 25.7 41 42 A A H < S+ 0 0 71 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.896 119.1 37.3 -77.6 -41.9 30.1 14.3 28.7 42 43 A D H < S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.732 131.3 29.6 -82.3 -23.9 30.5 10.9 30.2 43 44 A N >< + 0 0 34 -4,-2.3 3,-2.4 -5,-0.3 4,-0.3 -0.549 62.6 169.4-137.0 71.4 30.7 9.1 26.8 44 45 A Q G > S+ 0 0 148 -3,-0.4 3,-1.5 1,-0.3 4,-0.4 0.747 73.5 73.3 -52.1 -27.6 32.3 11.4 24.3 45 46 A E G 3 S+ 0 0 106 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.719 89.6 59.3 -62.9 -20.8 32.6 8.4 21.9 46 47 A T G X S+ 0 0 5 -3,-2.4 3,-1.3 -7,-0.2 4,-0.5 0.628 81.1 84.5 -83.2 -14.5 28.9 8.5 21.3 47 48 A I G X S+ 0 0 56 -3,-1.5 3,-1.9 -4,-0.3 -1,-0.2 0.858 78.5 67.6 -55.5 -37.2 29.0 12.1 19.9 48 49 A G G > S+ 0 0 40 -3,-0.4 3,-1.0 -4,-0.4 -1,-0.3 0.823 92.4 59.4 -53.6 -34.7 29.9 10.7 16.5 49 50 A Y G < S+ 0 0 110 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.708 102.2 55.5 -68.3 -19.6 26.4 9.1 16.2 50 51 A F G X + 0 0 48 -3,-1.9 3,-1.9 -4,-0.5 4,-0.4 -0.049 61.5 131.7-106.5 32.9 24.8 12.6 16.6 51 52 A K G X + 0 0 176 -3,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.813 67.3 64.9 -51.6 -35.5 26.5 14.5 13.8 52 53 A R G 3 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.754 92.1 63.0 -62.5 -25.7 23.2 15.8 12.5 53 54 A L G < S- 0 0 5 -3,-1.9 12,-0.3 1,-0.2 -1,-0.3 0.622 94.3-151.0 -76.2 -13.7 22.7 17.8 15.7 54 55 A G < + 0 0 49 -3,-1.4 2,-1.3 -4,-0.4 -1,-0.2 -0.549 63.0 12.7 81.8-144.6 25.7 20.0 15.1 55 56 A D > - 0 0 86 -2,-0.2 3,-1.4 1,-0.2 4,-0.1 -0.563 64.3-174.8 -73.7 95.8 27.7 21.5 18.0 56 57 A V G > S+ 0 0 20 -2,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.654 72.9 74.0 -67.3 -16.3 26.3 19.5 21.0 57 58 A S G 3 S+ 0 0 94 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.628 79.5 73.9 -73.4 -12.9 28.3 21.6 23.5 58 59 A Q G X S- 0 0 109 -3,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.608 80.2-175.4 -74.8 -12.2 26.0 24.6 23.0 59 60 A G G X + 0 0 11 -3,-1.2 3,-2.2 1,-0.3 7,-0.2 -0.259 63.7 8.7 57.6-131.2 23.3 22.7 25.0 60 61 A M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.775 124.6 65.2 -52.0 -33.4 19.9 24.4 25.2 61 62 A A G < S+ 0 0 73 -3,-1.6 2,-0.9 4,-0.1 -1,-0.3 0.657 81.4 88.9 -67.3 -18.0 21.0 27.0 22.7 62 63 A N <> - 0 0 21 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 -0.756 65.7-160.3 -86.3 107.7 21.3 24.3 20.0 63 64 A D H > S+ 0 0 76 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.853 89.5 48.7 -55.3 -41.9 17.8 24.1 18.4 64 65 A K H > S+ 0 0 105 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 113.0 47.7 -67.9 -38.8 18.3 20.6 16.9 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.906 113.6 48.2 -67.8 -40.6 19.7 19.3 20.2 66 67 A R H X S+ 0 0 16 -4,-2.7 4,-2.4 -7,-0.2 5,-0.2 0.921 112.4 48.1 -65.9 -44.0 16.7 20.8 22.1 67 68 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.913 114.3 47.0 -62.2 -42.9 14.2 19.4 19.6 68 69 A H H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.926 112.2 50.1 -62.8 -47.3 15.8 16.0 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.879 109.7 48.8 -61.5 -42.9 15.9 16.1 23.6 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 3,-0.3 0.938 112.0 50.1 -63.3 -45.2 12.3 17.1 24.1 71 72 A T H >X S+ 0 0 45 -4,-1.9 4,-1.0 1,-0.2 3,-0.6 0.872 104.2 58.5 -61.0 -38.7 11.3 14.3 21.7 72 73 A L H >X S+ 0 0 41 -4,-2.2 4,-1.5 1,-0.2 3,-0.8 0.898 101.9 55.4 -58.5 -39.5 13.3 11.8 23.6 73 74 A M H 3X S+ 0 0 2 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.801 102.6 55.5 -66.4 -26.9 11.4 12.6 26.7 74 75 A Y H < S+ 0 0 7 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.923 111.0 48.9 -55.8 -49.0 6.8 3.7 27.7 80 81 A I H >< S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.3 4,-0.2 0.910 108.9 54.1 -59.2 -42.8 5.5 4.7 31.2 81 82 A D H 3< S+ 0 0 61 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.716 107.3 51.5 -65.1 -21.4 2.0 5.1 29.8 82 83 A Q T X< S+ 0 0 19 -4,-1.1 3,-1.0 -3,-0.9 7,-0.5 0.357 76.8 102.2 -96.7 5.0 2.2 1.5 28.4 83 84 A L T < S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.810 74.5 61.0 -59.5 -29.0 3.3 -0.1 31.7 84 85 A D T 3 S+ 0 0 122 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.814 107.2 45.5 -67.4 -30.8 -0.3 -1.4 32.4 85 86 A N X> - 0 0 55 -3,-1.0 4,-2.4 1,-0.1 3,-0.8 -0.885 63.2-166.6-121.6 103.1 -0.3 -3.5 29.2 86 87 A P H 3> S+ 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.846 91.0 58.0 -52.6 -38.2 2.7 -5.7 28.4 87 88 A D H 3> S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.885 110.6 41.4 -62.0 -39.2 1.4 -6.2 24.8 88 89 A D H <> S+ 0 0 9 -3,-0.8 4,-2.0 2,-0.2 5,-0.2 0.867 111.8 55.3 -76.5 -36.3 1.4 -2.5 24.1 89 90 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 -7,-0.5 -2,-0.2 0.930 109.0 49.0 -60.4 -44.8 4.7 -1.9 25.9 90 91 A V H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.935 110.0 48.5 -63.2 -47.5 6.4 -4.4 23.7 91 92 A C H X S+ 0 0 6 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.872 114.1 46.9 -64.4 -32.8 5.0 -3.1 20.3 92 93 A V H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.884 112.4 51.1 -73.8 -36.6 6.0 0.4 21.2 93 94 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.939 110.7 46.8 -64.7 -47.5 9.5 -0.7 22.3 94 95 A E H X S+ 0 0 62 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.868 110.2 55.1 -62.1 -35.9 10.1 -2.7 19.1 95 96 A K H X S+ 0 0 37 -4,-1.5 4,-0.9 -5,-0.3 3,-0.4 0.951 111.7 42.5 -60.3 -51.3 8.9 0.3 17.1 96 97 A F H X S+ 0 0 32 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.761 108.1 62.3 -66.2 -27.1 11.4 2.6 18.8 97 98 A A H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 3,-0.3 0.857 94.1 62.6 -68.0 -36.7 14.1 -0.2 18.5 98 99 A V H X S+ 0 0 39 -4,-1.6 4,-2.6 -3,-0.4 -1,-0.2 0.910 99.8 52.4 -55.2 -48.1 13.9 -0.0 14.7 99 100 A N H X S+ 0 0 28 -4,-0.9 4,-0.6 1,-0.2 -1,-0.2 0.829 114.8 42.0 -61.1 -33.2 15.1 3.6 14.5 100 101 A H H <>S+ 0 0 54 -4,-0.9 5,-2.1 -3,-0.3 3,-0.3 0.833 111.3 54.7 -83.1 -32.2 18.1 2.7 16.7 101 102 A I H ><5S+ 0 0 79 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.907 104.1 56.5 -63.8 -41.5 18.8 -0.5 14.8 102 103 A T H 3<5S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 106.2 50.2 -60.0 -29.5 18.8 1.5 11.6 103 104 A R T 3<5S- 0 0 130 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.181 118.5-112.8 -95.8 16.9 21.6 3.6 13.1 104 105 A K T < 5 + 0 0 169 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.885 58.6 161.1 53.5 46.5 23.6 0.6 14.1 105 106 A I < - 0 0 21 -5,-2.1 -1,-0.2 4,-0.0 -2,-0.1 -0.879 25.3-151.9 -99.4 116.6 23.1 1.2 17.8 106 107 A S > - 0 0 51 -2,-0.7 4,-2.6 39,-0.1 5,-0.2 -0.308 27.5-105.7 -83.1 170.4 23.9 -2.0 19.7 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.869 122.3 51.2 -62.6 -38.7 22.4 -3.1 23.1 108 109 A A H 4 S+ 0 0 80 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.884 111.0 48.1 -66.7 -38.8 25.7 -2.3 24.8 109 110 A E H >4 S+ 0 0 48 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.924 110.8 50.5 -66.2 -46.7 25.8 1.1 23.2 110 111 A F H >< S+ 0 0 33 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.881 99.8 66.4 -59.1 -39.4 22.2 1.8 24.2 111 112 A G G >< S+ 0 0 14 -4,-2.0 3,-1.7 1,-0.3 4,-0.3 0.617 78.6 81.7 -60.0 -14.0 23.0 0.8 27.8 112 113 A K G X S+ 0 0 53 -3,-1.6 3,-0.7 -4,-0.3 -1,-0.3 0.676 76.1 74.1 -66.6 -14.7 25.3 3.8 28.2 113 114 A I G <> S+ 0 0 26 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.691 77.2 77.2 -71.7 -17.7 22.2 5.8 28.9 114 115 A N H <> S+ 0 0 49 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.864 90.4 53.5 -60.7 -38.7 21.9 4.2 32.4 115 116 A G H <> S+ 0 0 34 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.972 110.5 44.9 -61.1 -56.3 24.7 6.4 33.8 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 113.3 51.4 -56.1 -39.9 23.1 9.7 32.7 117 118 A I H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.924 108.1 51.7 -64.9 -42.4 19.7 8.5 34.0 118 119 A K H X S+ 0 0 97 -4,-2.3 4,-2.2 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7.2 201 56 B D > + 0 0 87 -2,-0.2 3,-2.1 1,-0.2 4,-0.2 -0.462 63.2 176.2 -73.6 80.1 -1.0 -6.6 7.0 202 57 B V G > + 0 0 22 -2,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.563 69.0 78.6 -62.6 -7.4 -2.5 -3.2 7.8 203 58 B S G 3 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.678 80.2 67.8 -75.7 -15.7 -5.9 -4.8 7.2 204 59 B Q G X S- 0 0 112 -3,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.648 83.6-176.0 -76.5 -14.7 -5.7 -6.4 10.7 205 60 B G G X + 0 0 11 -3,-0.9 3,-2.0 1,-0.3 7,-0.2 -0.303 63.9 8.8 59.2-131.2 -6.0 -2.9 12.2 206 61 B M G 3 S+ 0 0 77 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.785 126.5 62.0 -50.4 -36.2 -5.7 -2.8 16.0 207 62 B A G < S+ 0 0 72 -3,-1.5 2,-0.8 4,-0.1 -1,-0.3 0.674 81.4 92.6 -68.4 -19.1 -4.7 -6.5 16.1 208 63 B N <> - 0 0 11 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 -0.695 67.0-156.5 -79.7 109.8 -1.6 -5.8 14.1 209 64 B D H > S+ 0 0 84 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.870 90.6 48.9 -55.9 -43.2 1.2 -5.2 16.6 210 65 B K H > S+ 0 0 96 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 114.1 45.9 -64.8 -42.2 3.4 -3.1 14.3 211 66 B L H > S+ 0 0 0 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