==== 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 3UHV . 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) . 13818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 87.9 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 . 71 24.5 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 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 87 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 164.9 13.9 -11.6 24.2 2 3 A V H > + 0 0 11 141,-0.3 4,-2.2 1,-0.2 5,-0.1 0.813 360.0 57.3 -63.4 -30.4 11.8 -8.4 24.5 3 4 A Y H > S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.864 109.4 43.8 -69.9 -35.4 8.9 -10.5 25.8 4 5 A D H 4 S+ 0 0 105 -3,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.845 113.4 51.9 -76.3 -34.6 10.9 -11.9 28.6 5 6 A A H >< S+ 0 0 16 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.879 105.6 54.7 -68.2 -38.6 12.5 -8.6 29.4 6 7 A A H >< S+ 0 0 11 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.831 100.1 61.1 -64.3 -31.8 9.1 -6.9 29.6 7 8 A A T 3< S+ 0 0 74 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.591 89.2 72.3 -71.4 -9.8 8.0 -9.5 32.2 8 9 A Q T < S+ 0 0 107 -3,-1.4 2,-1.8 -4,-0.3 -1,-0.3 0.563 70.2 97.2 -81.1 -9.2 10.8 -8.2 34.5 9 10 A L < - 0 0 17 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.0 -0.591 64.1-174.9 -83.2 81.2 8.8 -5.1 35.1 10 11 A T > - 0 0 75 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.073 39.9 -89.2 -69.6 174.5 7.3 -6.2 38.4 11 12 A A H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.911 125.6 42.4 -52.8 -53.3 4.7 -4.2 40.4 12 13 A D H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.820 110.9 56.4 -68.0 -31.0 7.1 -2.2 42.5 13 14 A V H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 109.2 46.6 -65.9 -42.7 9.3 -1.5 39.5 14 15 A K H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.8 51.3 -64.3 -42.5 6.4 0.0 37.6 15 16 A K H X S+ 0 0 110 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.916 110.0 48.5 -61.7 -44.1 5.4 2.1 40.6 16 17 A D H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.845 109.6 53.5 -66.4 -32.4 8.9 3.5 41.1 17 18 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.926 111.8 45.4 -66.5 -43.7 9.0 4.3 37.4 18 19 A R H X S+ 0 0 78 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 111.8 50.3 -65.8 -46.6 5.7 6.3 37.7 19 20 A D H X S+ 0 0 57 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.873 116.2 41.5 -61.3 -39.0 6.6 8.1 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 3,-0.6 0.861 112.1 54.1 -77.4 -36.4 10.0 9.3 39.5 21 22 A W H 3X S+ 0 0 15 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.839 96.2 68.2 -66.4 -31.0 8.6 10.1 36.0 22 23 A K H 3< S+ 0 0 160 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.882 113.8 29.7 -54.1 -38.5 6.0 12.3 37.7 23 24 A V H X< S+ 0 0 62 -3,-0.6 3,-1.5 -4,-0.6 4,-0.4 0.929 123.4 46.0 -86.4 -53.8 8.8 14.6 38.6 24 25 A I H >< S+ 0 0 12 -4,-2.8 3,-1.1 1,-0.3 7,-0.3 0.885 112.4 51.7 -57.6 -42.4 11.3 14.0 35.8 25 26 A G G >< S+ 0 0 8 -4,-3.1 3,-0.5 -5,-0.2 -1,-0.3 0.523 89.7 81.6 -74.8 -4.3 8.6 14.3 33.1 26 27 A S G < S+ 0 0 97 -3,-1.5 2,-0.2 1,-0.3 -1,-0.2 0.744 102.9 31.6 -71.6 -24.0 7.4 17.6 34.6 27 28 A D G <> + 0 0 83 -3,-1.1 4,-2.6 -4,-0.4 5,-0.4 -0.664 68.7 167.4-135.0 76.9 10.2 19.5 32.7 28 29 A K H <> S+ 0 0 33 -3,-0.5 4,-1.5 -2,-0.2 5,-0.2 0.847 78.2 48.7 -60.9 -36.9 10.8 17.6 29.5 29 30 A K H > S+ 0 0 62 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.958 116.4 40.7 -69.8 -50.0 12.9 20.4 28.0 30 31 A G H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.946 122.9 38.1 -63.6 -51.0 15.2 20.9 31.0 31 32 A N H X S+ 0 0 10 -4,-2.6 4,-2.5 -7,-0.3 -1,-0.2 0.798 114.5 56.5 -71.9 -29.1 15.7 17.2 31.9 32 33 A G H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 5,-0.2 0.939 110.0 43.2 -67.4 -46.8 15.8 16.2 28.3 33 34 A V H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.855 114.5 51.9 -66.1 -35.2 18.7 18.5 27.5 34 35 A A H X S+ 0 0 32 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.926 109.3 49.8 -66.1 -44.9 20.4 17.5 30.8 35 36 A L H X S+ 0 0 12 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.941 116.3 40.5 -58.9 -51.6 20.1 13.8 30.0 36 37 A V H X S+ 0 0 5 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.860 114.3 50.8 -68.3 -39.2 21.6 14.2 26.5 37 38 A T H X S+ 0 0 47 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.854 109.9 51.9 -68.1 -33.7 24.3 16.7 27.4 38 39 A T H X S+ 0 0 31 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.856 106.2 54.7 -70.0 -34.8 25.4 14.3 30.2 39 40 A L H X S+ 0 0 21 -4,-1.5 4,-2.0 1,-0.2 7,-0.2 0.930 110.3 45.0 -63.3 -45.5 25.5 11.5 27.7 40 41 A F H < S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.8 50.1 -69.4 -27.6 27.9 13.4 25.5 41 42 A A H < S+ 0 0 63 -4,-1.5 3,-0.4 -5,-0.1 -2,-0.2 0.906 118.4 34.9 -77.3 -43.7 30.0 14.5 28.5 42 43 A D H < S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.698 131.6 31.5 -84.5 -20.9 30.4 11.0 30.1 43 44 A N >< + 0 0 36 -4,-2.0 3,-2.3 -5,-0.3 4,-0.3 -0.564 61.7 170.3-138.8 72.7 30.6 9.2 26.8 44 45 A Q G > S+ 0 0 125 -3,-0.4 3,-1.2 1,-0.3 4,-0.4 0.717 73.3 74.2 -53.7 -23.8 32.2 11.4 24.1 45 46 A E G 3 S+ 0 0 103 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.695 87.9 59.9 -66.9 -18.4 32.4 8.4 21.8 46 47 A T G X S+ 0 0 6 -3,-2.3 3,-1.6 -7,-0.2 4,-0.3 0.638 81.3 83.3 -84.1 -14.4 28.6 8.6 21.2 47 48 A I G X S+ 0 0 49 -3,-1.2 3,-2.1 -4,-0.3 -1,-0.2 0.835 76.8 71.6 -57.4 -32.3 28.9 12.1 19.7 48 49 A G G > S+ 0 0 40 -3,-0.5 3,-0.8 -4,-0.4 -1,-0.3 0.761 90.3 58.3 -56.2 -27.8 29.8 10.6 16.4 49 50 A Y G < S+ 0 0 102 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.623 103.1 55.8 -77.1 -13.5 26.2 9.3 15.9 50 51 A F G X + 0 0 45 -3,-2.1 3,-1.8 -4,-0.3 4,-0.4 -0.062 59.5 131.5-112.0 33.3 24.9 12.8 16.2 51 52 A K G X + 0 0 178 -3,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.840 69.9 63.6 -52.1 -37.0 26.9 14.6 13.5 52 53 A R G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.770 91.8 65.4 -60.5 -27.4 23.6 16.2 12.2 53 54 A L G < S- 0 0 7 -3,-1.8 12,-0.3 1,-0.2 -1,-0.3 0.686 91.9-154.9 -70.7 -19.3 23.1 18.0 15.4 54 55 A G < + 0 0 49 -3,-1.5 2,-1.3 -4,-0.4 -1,-0.2 -0.554 61.3 14.2 82.5-145.0 26.2 20.2 14.9 55 56 A D > - 0 0 85 -2,-0.2 3,-1.4 1,-0.2 4,-0.1 -0.541 64.4-176.7 -72.9 95.3 28.1 21.8 17.8 56 57 A V G > S+ 0 0 19 -2,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.710 72.1 73.7 -65.2 -23.7 26.7 19.8 20.7 57 58 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.636 79.5 75.3 -68.5 -12.3 28.6 21.8 23.3 58 59 A Q G X S- 0 0 110 -3,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.667 79.9-177.2 -72.6 -15.6 26.3 24.8 22.7 59 60 A G G X + 0 0 12 -3,-1.6 3,-2.2 1,-0.3 7,-0.2 -0.279 62.7 8.6 59.2-132.1 23.7 22.9 24.7 60 61 A M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.759 125.7 63.8 -52.2 -30.2 20.3 24.6 25.0 61 62 A A G < S+ 0 0 73 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.664 81.3 89.2 -71.9 -18.1 21.3 27.2 22.5 62 63 A N <> - 0 0 21 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.750 67.1-158.3 -83.6 111.0 21.7 24.6 19.7 63 64 A D H > S+ 0 0 81 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.881 90.5 48.5 -57.2 -43.4 18.2 24.4 18.2 64 65 A K H > S+ 0 0 106 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 112.7 48.2 -65.9 -40.3 18.7 20.9 16.7 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.903 113.1 48.1 -66.4 -40.8 20.0 19.6 20.0 66 67 A R H X S+ 0 0 18 -4,-2.6 4,-2.3 -7,-0.2 5,-0.3 0.900 110.7 51.6 -66.4 -40.6 17.1 21.2 21.9 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.909 113.5 44.0 -62.5 -42.5 14.6 19.7 19.4 68 69 A H H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.940 112.1 52.9 -66.7 -47.8 16.1 16.2 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.886 110.9 45.3 -56.0 -45.6 16.3 16.5 23.6 70 71 A I H >X S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.935 112.6 53.2 -64.3 -45.6 12.6 17.5 24.0 71 72 A T H >X S+ 0 0 43 -4,-1.8 3,-1.1 -5,-0.3 4,-0.5 0.833 99.5 59.4 -60.6 -37.6 11.6 14.8 21.6 72 73 A I H >X S+ 0 0 40 -4,-2.2 4,-1.3 1,-0.3 3,-1.0 0.837 98.0 62.7 -63.4 -29.2 13.4 11.9 23.3 73 74 A M H < S+ 0 0 7 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.929 111.9 48.6 -57.0 -49.4 6.8 3.8 27.5 80 81 A I H >< S+ 0 0 5 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.905 108.5 54.5 -59.1 -42.1 5.5 4.9 30.9 81 82 A D H 3< S+ 0 0 63 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.749 107.3 52.1 -64.2 -23.5 2.0 5.2 29.6 82 83 A Q T X< S+ 0 0 19 -4,-1.2 3,-1.4 -3,-0.8 7,-0.5 0.426 75.8 102.2 -93.7 0.9 2.2 1.6 28.3 83 84 A L T < S+ 0 0 5 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.783 74.8 61.4 -55.5 -29.2 3.2 -0.0 31.6 84 85 A D T 3 S+ 0 0 123 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.793 106.8 45.4 -68.6 -29.0 -0.3 -1.3 32.3 85 86 A N X> - 0 0 55 -3,-1.4 4,-2.5 1,-0.1 3,-0.6 -0.902 63.0-166.3-124.0 104.3 -0.4 -3.4 29.1 86 87 A P H 3> S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.834 91.0 57.1 -53.5 -38.7 2.7 -5.6 28.3 87 88 A D H 3> S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.883 111.3 42.1 -62.9 -39.5 1.4 -6.3 24.8 88 89 A D H <> S+ 0 0 8 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.885 111.8 54.1 -75.5 -39.0 1.3 -2.6 24.0 89 90 A L H X S+ 0 0 5 -4,-2.5 4,-2.1 -7,-0.5 -2,-0.2 0.937 110.2 48.8 -59.2 -45.3 4.6 -1.8 25.8 90 91 A V H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.927 111.1 46.8 -62.3 -47.2 6.3 -4.5 23.6 91 92 A C H X S+ 0 0 7 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.828 113.7 50.2 -67.1 -27.9 4.9 -3.3 20.3 92 93 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.848 111.3 48.3 -76.3 -34.5 5.8 0.3 21.2 93 94 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.914 111.5 48.8 -71.3 -42.4 9.4 -0.7 22.1 94 95 A E H X S+ 0 0 64 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.882 111.5 50.8 -64.1 -37.1 9.9 -2.7 18.9 95 96 A K H >X S+ 0 0 45 -4,-1.5 3,-0.6 -5,-0.2 4,-0.5 0.936 110.6 49.5 -63.5 -46.1 8.6 0.3 16.9 96 97 A F H 3X S+ 0 0 49 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.855 106.7 56.4 -60.7 -37.9 11.0 2.5 18.8 97 98 A A H 3X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.769 85.7 81.9 -68.7 -27.6 13.9 0.2 18.1 98 99 A V H S+ 0 0 44 -4,-0.7 5,-2.6 -3,-0.2 -1,-0.2 0.827 107.7 51.1 -74.2 -29.9 18.0 2.7 16.3 101 102 A I H ><5S+ 0 0 84 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.901 107.8 53.2 -70.6 -39.8 18.7 -0.6 14.6 102 103 A T H 3<5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.818 106.3 53.3 -63.4 -31.2 19.1 1.1 11.3 103 104 A R T 3<5S- 0 0 107 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.410 116.9-115.5 -84.9 1.7 21.7 3.5 12.9 104 105 A K T < 5 + 0 0 169 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.798 56.3 162.5 69.8 30.0 23.7 0.5 14.1 105 106 A I < - 0 0 19 -5,-2.6 -1,-0.2 4,-0.1 -2,-0.1 -0.746 25.2-151.3 -85.0 116.3 23.1 1.3 17.8 106 107 A S > - 0 0 49 -2,-0.7 4,-2.8 39,-0.1 5,-0.2 -0.313 26.6-109.4 -82.1 168.3 23.8 -1.8 19.8 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.876 123.0 51.4 -64.1 -35.9 22.3 -2.8 23.1 108 109 A A H 4 S+ 0 0 79 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.876 110.7 47.8 -68.0 -37.9 25.7 -2.1 24.7 109 110 A E H >4 S+ 0 0 38 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.933 112.3 48.5 -67.6 -47.2 25.7 1.4 23.1 110 111 A F H >< S+ 0 0 37 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.858 99.8 67.7 -61.6 -37.4 22.2 2.2 24.2 111 112 A G G >< S+ 0 0 13 -4,-2.0 3,-1.5 1,-0.3 4,-0.3 0.607 78.2 82.1 -61.0 -11.8 22.9 1.0 27.7 112 113 A K G X S+ 0 0 53 -3,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.636 75.7 73.5 -68.9 -11.8 25.2 4.0 28.1 113 114 A I G <> S+ 0 0 32 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.687 76.8 78.4 -74.8 -17.7 22.1 6.1 28.8 114 115 A N H <> S+ 0 0 48 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.867 89.9 53.6 -58.4 -39.7 21.9 4.5 32.3 115 116 A G H <> S+ 0 0 33 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.969 110.4 44.9 -60.9 -55.2 24.6 6.7 33.7 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.893 113.4 51.4 -56.1 -41.9 22.9 9.9 32.6 117 118 A I H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.931 108.9 50.4 -62.8 -44.9 19.5 8.7 33.9 118 119 A K H X S+ 0 0 101 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.903 112.2 48.0 -60.1 -41.4 21.0 7.9 37.3 119 120 A K H X S+ 0 0 115 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.861 112.0 48.0 -69.0 -36.9 22.6 11.3 37.5 120 121 A V H X S+ 0 0 10 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.896 112.3 49.7 -71.1 -39.0 19.5 13.2 36.5 121 122 A L H ><>S+ 0 0 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0.763 75.8 77.6 -64.9 -23.1 -0.0 2.1 2.1 194 49 B G G < S+ 0 0 67 -3,-1.5 3,-0.5 -4,-0.3 -1,-0.3 0.754 90.7 53.6 -58.0 -24.8 3.0 2.0 -0.2 195 50 B Y G < S+ 0 0 103 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.588 104.0 57.9 -85.1 -12.0 5.0 3.7 2.5 196 51 B F X + 0 0 48 -3,-1.8 3,-1.5 -4,-0.3 4,-0.4 -0.083 54.3 128.7-113.8 35.7 4.2 1.1 5.1 197 52 B K G > S+ 0 0 184 -3,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.866 72.3 64.4 -56.8 -34.7 5.3 -2.2 3.7 198 53 B R G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.782 91.0 64.5 -60.2 -28.1 7.2 -2.9 7.0 199 54 B L G < S- 0 0 5 -3,-1.5 12,-0.3 1,-0.2 2,-0.3 0.669 92.0-157.5 -71.8 -15.2 3.9 -2.9 8.9 200 55 B G < + 0 0 49 -3,-1.7 2,-1.6 -4,-0.4 -1,-0.2 -0.562 62.0 19.0 79.4-135.6 2.8 -6.0 7.1 201 56 B D > + 0 0 85 -2,-0.3 3,-1.7 1,-0.2 4,-0.1 -0.545 63.3 176.1 -77.3 87.1 -0.9 -6.9 6.8 202 57 B V G > + 0 0 23 -2,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.619 69.1 78.2 -67.0 -13.3 -2.5 -3.5 7.6 203 58 B S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.671 80.9 70.8 -70.3 -13.7 -6.0 -4.9 7.0 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-2,-0.1 0.820 75.1 54.9 -55.5 -35.8 2.3 25.7 21.3 230 85 B D T 3 S+ 0 0 114 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.461 105.5 55.6 -81.0 0.6 3.0 28.6 23.6 231 86 B N X> - 0 0 55 -3,-1.8 4,-2.6 1,-0.1 3,-0.9 -0.802 62.7-170.4-135.6 93.6 6.7 28.9 22.6 232 87 B P H 3> S+ 0 0 66 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.824 87.3 58.9 -49.1 -39.2 7.3 29.3 18.9 233 88 B D H 3> S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.892 112.1 38.5 -61.7 -40.7 11.0 28.7 19.3 234 89 B D H <> S+ 0 0 8 -3,-0.9 4,-2.1 2,-0.2 5,-0.3 0.881 113.8 54.7 -78.1 -38.7 10.5 25.3 20.8 235 90 B L H X S+ 0 0 2 -4,-2.6 4,-2.0 -7,-0.5 -2,-0.2 0.944 109.1 49.5 -58.9 -47.3 7.6 24.4 18.5 236 91 B V H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 110.1 49.0 -60.1 -43.8 9.7 25.1 15.5 237 92 B C H X S+ 0 0 5 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.865 112.9 45.8 -69.7 -32.5 12.7 23.0 16.6 238 93 B V H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.831 112.9 52.2 -78.1 -27.5 10.6 19.9 17.4 239 94 B V H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.926 110.4 46.4 -71.5 -42.7 8.8 20.3 14.1 240 95 B E H X S+ 0 0 98 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.880 112.7 51.4 -66.2 -33.8 12.0 20.5 12.1 241 96 B K H >X S+ 0 0 51 -4,-1.6 4,-0.5 -5,-0.2 3,-0.5 0.930 109.6 50.4 -65.3 -44.8 13.3 17.5 14.1 242 97 B F H 3X S+ 0 0 47 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.850 105.9 56.2 -61.1 -37.5 10.1 15.6 13.3 243 98 B A H 3X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.781 86.4 81.6 -68.6 -28.5 10.4 16.3 9.6 244 99 B V H S+ 0 0 44 -4,-0.7 5,-2.2 2,-0.2 -1,-0.2 0.827 107.8 51.1 -72.3 -29.1 9.8 12.1 6.9 247 102 B I H ><5S+ 0 0 84 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.899 107.4 52.9 -71.6 -40.3 12.0 13.9 4.4 248 103 B T H 3<5S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.8 54.8 -64.4 -26.6 14.3 10.9 4.1 249 104 B R T 3<5S- 0 0 102 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.437 115.5-120.6 -85.2 -0.9 11.2 8.8 3.3 250 105 B K T < 5 + 0 0 179 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.900 54.2 160.6 60.8 44.5 10.5 11.3 0.5 251 106 B I < - 0 0 24 -5,-2.2 -1,-0.2 4,-0.0 -2,-0.1 -0.878 28.3-147.8 -97.0 111.8 7.1 12.3 1.9 252 107 B S > - 0 0 57 -2,-0.7 4,-2.6 39,-0.1 5,-0.2 -0.234 25.2-107.3 -76.0 168.9 6.2 15.6 0.3 253 108 B A H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.879 122.7 51.6 -62.6 -37.6 4.1 18.3 1.9 254 109 B A H 4 S+ 0 0 77 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.918 110.1 47.7 -65.5 -44.0 1.2 17.4 -0.4 255 110 B E H >4 S+ 0 0 41 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.913 111.3 50.7 -63.6 -43.1 1.5 13.7 0.5 256 111 B F H >< S+ 0 0 36 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.861 98.8 67.7 -63.2 -35.6 1.6 14.6 4.3 257 112 B G G >< S+ 0 0 14 -4,-1.9 3,-1.9 1,-0.3 4,-0.3 0.640 78.0 80.9 -60.5 -15.4 -1.5 16.8 3.8 258 113 B K G X S+ 0 0 55 -3,-1.4 3,-0.7 -4,-0.4 -1,-0.3 0.689 76.4 73.9 -65.7 -15.1 -3.6 13.7 3.1 259 114 B I G <> S+ 0 0 33 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.651 77.7 78.9 -72.4 -13.6 -3.7 13.3 6.9 260 115 B N H <> S+ 0 0 51 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.881 88.5 53.0 -62.3 -40.9 -6.2 16.2 7.1 261 116 B G H <> S+ 0 0 36 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.2 0.959 110.1 46.0 -60.7 -53.5 -9.1 14.1 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-18.3 15.8 17.9 272 127 B F < - 0 0 29 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.924 38.4-150.6-105.2 112.6 -15.7 18.5 17.1 273 128 B G >> - 0 0 45 -2,-0.7 4,-1.6 -3,-0.1 3,-1.1 0.192 36.7 -67.9 -72.2-168.2 -17.0 20.4 14.0 274 129 B D H 3> S+ 0 0 99 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.768 124.3 68.2 -53.1 -32.8 -15.3 22.2 11.2 275 130 B K H 3> S+ 0 0 123 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.916 107.3 39.1 -55.5 -44.3 -14.0 24.9 13.5 276 131 B Y H <> S+ 0 0 49 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.846 111.5 56.6 -75.4 -36.5 -11.7 22.4 15.1 277 132 B A H X S+ 0 0 13 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.898 107.0 51.0 -62.5 -39.2 -10.8 20.6 11.8 278 133 B N H X S+ 0 0 99 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.862 107.2 53.0 -66.0 -36.7 -9.6 24.0 10.5 279 134 B A H X S+ 0 0 4 -4,-1.1 4,-1.2 -5,-0.2 3,-0.2 0.915 110.6 47.1 -65.0 -43.2 -7.4 24.6 13.5 280 135 B W H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.824 105.3 59.3 -68.6 -31.1 -5.8 21.2 13.1 281 136 B A H X S+ 0 0 33 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.848 104.1 53.1 -65.4 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8.8 19.2 4.3