==== 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 3UHW . 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) . 13889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 85.5 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 . 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 . 166 57.2 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 84 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 166.9 13.8 -11.7 24.2 2 3 A V H > + 0 0 7 141,-0.4 4,-1.5 1,-0.2 142,-0.1 0.808 360.0 55.7 -64.0 -29.2 11.8 -8.5 24.5 3 4 A Y H > S+ 0 0 136 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.800 110.5 44.6 -73.4 -29.1 8.8 -10.5 25.8 4 5 A D H 4 S+ 0 0 109 -3,-0.5 3,-0.3 2,-0.2 -2,-0.2 0.851 112.6 50.5 -81.0 -37.2 10.9 -12.0 28.6 5 6 A A H >< S+ 0 0 19 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.797 105.7 57.3 -69.9 -29.3 12.5 -8.6 29.5 6 7 A A H >< S+ 0 0 13 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.780 98.1 60.6 -72.3 -25.8 9.1 -7.0 29.7 7 8 A A T 3< S+ 0 0 72 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.502 88.8 73.8 -78.7 -3.6 8.0 -9.5 32.3 8 9 A Q T < + 0 0 113 -3,-1.0 2,-1.6 -4,-0.2 -1,-0.2 0.466 69.3 96.5 -86.6 -4.2 10.8 -8.2 34.5 9 10 A L < - 0 0 16 -3,-1.2 -1,-0.1 4,-0.1 -3,-0.0 -0.635 64.3-175.8 -87.8 79.9 8.8 -5.1 35.1 10 11 A T > - 0 0 80 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.077 40.1 -89.3 -69.0 175.1 7.3 -6.2 38.4 11 12 A A H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.927 125.2 42.6 -53.0 -56.9 4.7 -4.3 40.4 12 13 A D H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.832 111.1 56.5 -63.8 -33.1 7.1 -2.2 42.6 13 14 A V H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 108.9 46.5 -65.4 -40.5 9.4 -1.5 39.6 14 15 A K H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 111.3 52.1 -66.9 -41.3 6.5 -0.0 37.7 15 16 A K H X S+ 0 0 111 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.930 109.9 48.4 -60.6 -47.0 5.4 2.0 40.7 16 17 A D H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.843 108.9 54.1 -63.9 -33.5 8.9 3.5 41.1 17 18 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.943 111.6 45.1 -65.0 -46.0 9.0 4.3 37.4 18 19 A R H X S+ 0 0 81 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 111.5 51.7 -62.9 -46.8 5.8 6.3 37.7 19 20 A D H X S+ 0 0 54 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.886 115.6 40.4 -59.9 -41.3 6.7 8.1 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-0.7 0.875 111.5 55.5 -76.4 -38.1 10.1 9.3 39.5 21 22 A W H 3X S+ 0 0 15 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.837 96.2 67.9 -62.5 -32.1 8.7 10.1 36.1 22 23 A K H 3< S+ 0 0 169 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.9 30.6 -55.2 -38.9 6.1 12.4 37.7 23 24 A V H X< S+ 0 0 60 -3,-0.7 3,-1.3 -4,-0.6 4,-0.3 0.927 124.2 45.2 -85.2 -53.1 8.9 14.7 38.7 24 25 A I H >< S+ 0 0 10 -4,-2.9 3,-1.3 1,-0.3 7,-0.2 0.886 111.1 51.4 -59.3 -44.6 11.3 14.1 35.9 25 26 A G G >< S+ 0 0 9 -4,-3.5 3,-0.5 1,-0.2 -1,-0.3 0.471 90.6 83.5 -74.5 3.7 8.7 14.3 33.1 26 27 A S G < S+ 0 0 101 -3,-1.3 -1,-0.2 1,-0.3 2,-0.2 0.693 100.5 32.2 -78.3 -17.4 7.6 17.6 34.6 27 28 A D G <> + 0 0 75 -3,-1.3 4,-2.8 -4,-0.3 5,-0.4 -0.626 69.5 166.9-139.3 75.7 10.4 19.5 32.8 28 29 A K H <> S+ 0 0 35 -3,-0.5 4,-1.4 1,-0.2 5,-0.2 0.860 78.1 46.4 -61.3 -39.4 10.9 17.7 29.5 29 30 A K H > S+ 0 0 64 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.946 118.2 41.3 -68.6 -49.2 13.0 20.4 27.9 30 31 A G H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.950 122.4 37.4 -63.8 -53.1 15.2 20.9 30.9 31 32 A N H X S+ 0 0 11 -4,-2.8 4,-1.8 -7,-0.2 -1,-0.2 0.776 114.5 57.8 -72.0 -26.5 15.7 17.3 32.0 32 33 A G H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.4 -2,-0.2 0.940 110.0 41.6 -68.2 -48.1 15.9 16.2 28.3 33 34 A V H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.890 113.0 54.2 -65.5 -41.1 18.8 18.5 27.5 34 35 A A H X S+ 0 0 34 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.894 107.5 52.5 -59.8 -39.4 20.5 17.6 30.8 35 36 A L H X S+ 0 0 9 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.917 112.5 43.4 -63.2 -45.3 20.2 14.0 29.9 36 37 A M H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.882 113.1 49.7 -70.4 -40.4 21.9 14.5 26.4 37 38 A T H X S+ 0 0 48 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.835 110.0 52.1 -68.8 -31.2 24.7 16.8 27.6 38 39 A T H X S+ 0 0 32 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.869 109.0 50.9 -71.0 -36.2 25.6 14.3 30.4 39 40 A L H X S+ 0 0 15 -4,-1.4 4,-2.3 1,-0.2 7,-0.2 0.942 111.4 46.3 -65.1 -48.3 25.7 11.5 27.8 40 41 A F H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 115.0 48.6 -65.2 -28.4 28.1 13.5 25.6 41 42 A A H < S+ 0 0 63 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.890 118.6 36.3 -79.4 -41.7 30.2 14.5 28.6 42 43 A D H < S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.697 131.5 29.9 -84.7 -21.1 30.6 11.0 30.1 43 44 A N >< + 0 0 35 -4,-2.3 3,-2.7 -5,-0.2 4,-0.3 -0.503 62.7 169.8-138.3 68.1 30.7 9.2 26.7 44 45 A Q G > S+ 0 0 126 -3,-0.4 3,-1.3 1,-0.3 4,-0.3 0.711 72.8 74.7 -50.2 -23.2 32.3 11.5 24.2 45 46 A E G 3 S+ 0 0 103 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.688 87.6 60.6 -66.9 -17.8 32.5 8.5 21.8 46 47 A T G X S+ 0 0 6 -3,-2.7 3,-1.4 -7,-0.2 4,-0.4 0.605 79.7 84.1 -85.1 -13.0 28.8 8.7 21.2 47 48 A I G X S+ 0 0 52 -3,-1.3 3,-1.6 -4,-0.3 -1,-0.2 0.817 77.9 70.0 -59.5 -29.9 28.9 12.3 19.7 48 49 A G G > S+ 0 0 37 -3,-0.5 3,-0.9 -4,-0.3 -1,-0.3 0.783 91.1 58.3 -59.1 -29.5 29.8 10.7 16.4 49 50 A Y G < S+ 0 0 108 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.678 104.4 54.3 -73.3 -18.1 26.3 9.3 16.0 50 51 A F G X + 0 0 47 -3,-1.6 3,-1.8 -4,-0.4 4,-0.4 -0.070 61.3 132.3-109.5 33.8 24.8 12.9 16.3 51 52 A K G X + 0 0 173 -3,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.851 68.7 63.5 -52.1 -38.7 26.7 14.7 13.6 52 53 A R G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.757 91.8 65.4 -59.6 -26.2 23.5 16.3 12.3 53 54 A L G < S- 0 0 7 -3,-1.8 12,-0.3 1,-0.2 -1,-0.3 0.626 91.8-155.4 -73.9 -13.7 23.0 18.1 15.6 54 55 A G < + 0 0 49 -3,-1.7 2,-1.5 -4,-0.4 -1,-0.2 -0.475 61.3 15.8 78.4-146.2 26.1 20.3 15.1 55 56 A D > - 0 0 86 1,-0.2 3,-1.4 -2,-0.2 4,-0.2 -0.513 65.8-176.5 -69.8 92.1 28.0 21.9 18.0 56 57 A V G > S+ 0 0 16 -2,-1.5 3,-1.0 1,-0.3 -1,-0.2 0.639 72.4 71.2 -65.2 -18.9 26.5 19.8 20.8 57 58 A S G 3 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.647 80.6 74.8 -74.9 -14.2 28.4 21.8 23.5 58 59 A Q G X S+ 0 0 108 -3,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.761 79.8 179.4 -67.4 -24.4 26.2 24.8 22.9 59 60 A G G X + 0 0 9 -3,-1.0 3,-2.5 1,-0.3 7,-0.3 -0.362 61.5 12.4 64.2-130.8 23.5 22.9 24.8 60 61 A M G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -2,-0.1 6,-0.1 0.758 125.1 62.1 -50.5 -30.7 20.2 24.7 25.2 61 62 A A G < S+ 0 0 74 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.651 82.9 89.8 -73.5 -15.5 21.2 27.3 22.6 62 63 A N <> - 0 0 21 -3,-2.5 4,-2.7 1,-0.2 3,-0.2 -0.747 65.6-160.6 -85.7 105.3 21.5 24.6 20.0 63 64 A D H > S+ 0 0 83 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.864 89.0 49.7 -54.0 -42.3 18.0 24.4 18.4 64 65 A K H > S+ 0 0 99 -11,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 112.2 47.3 -67.1 -37.8 18.6 21.0 16.9 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 -3,-0.2 -2,-0.2 0.906 113.4 48.8 -68.8 -41.6 19.8 19.5 20.2 66 67 A R H X S+ 0 0 17 -4,-2.7 4,-2.4 -7,-0.3 5,-0.2 0.920 110.9 50.2 -64.2 -43.8 16.9 21.1 22.0 67 68 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.909 114.1 44.7 -61.2 -42.1 14.4 19.7 19.5 68 69 A H H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.909 111.7 52.3 -67.6 -44.6 15.9 16.3 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.901 110.5 47.3 -58.9 -45.7 16.1 16.4 23.6 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.943 112.3 50.2 -61.6 -48.4 12.4 17.4 23.9 71 72 A T H >X S+ 0 0 47 -4,-1.9 4,-0.9 1,-0.2 3,-0.8 0.859 104.2 59.1 -58.2 -39.9 11.4 14.6 21.5 72 73 A L H >X S+ 0 0 41 -4,-2.3 4,-1.4 1,-0.2 3,-0.9 0.893 100.2 56.4 -58.2 -41.2 13.4 12.0 23.4 73 74 A M H 3X S+ 0 0 2 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.754 100.5 58.3 -63.9 -26.5 11.3 12.7 26.6 74 75 A Y H < S+ 0 0 8 -4,-1.7 3,-1.2 2,-0.2 4,-0.4 0.957 110.9 48.0 -63.8 -51.1 6.9 3.8 27.6 80 81 A I H >< S+ 0 0 5 -4,-2.6 3,-1.4 1,-0.3 4,-0.2 0.891 108.5 55.7 -56.0 -42.5 5.6 4.9 31.0 81 82 A D H 3< S+ 0 0 60 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.711 106.2 51.9 -64.9 -20.9 2.1 5.2 29.6 82 83 A Q T X< S+ 0 0 20 -3,-1.2 3,-1.1 -4,-0.8 7,-0.5 0.391 75.6 103.4 -97.4 3.1 2.2 1.6 28.4 83 84 A L T < S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.806 74.2 60.7 -55.7 -31.7 3.2 -0.0 31.6 84 85 A D T 3 S+ 0 0 124 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.818 106.7 46.2 -66.6 -32.2 -0.3 -1.3 32.3 85 86 A N X> - 0 0 58 -3,-1.1 4,-2.3 1,-0.1 3,-0.7 -0.893 63.7-165.6-120.3 104.6 -0.4 -3.4 29.2 86 87 A P H 3> S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.852 90.9 56.3 -51.0 -41.9 2.6 -5.6 28.4 87 88 A D H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.868 111.1 42.8 -62.0 -37.8 1.4 -6.2 24.8 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.857 110.8 54.8 -77.5 -35.7 1.2 -2.5 24.1 89 90 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 -7,-0.5 -2,-0.2 0.937 109.5 49.4 -60.4 -46.1 4.6 -1.8 25.8 90 91 A V H X S+ 0 0 11 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.923 110.4 46.8 -59.6 -49.9 6.2 -4.4 23.6 91 92 A C H X S+ 0 0 7 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.805 114.0 50.1 -66.1 -27.4 4.8 -3.1 20.2 92 93 A V H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.867 111.5 48.2 -76.8 -37.1 5.8 0.4 21.2 93 94 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 112.4 47.0 -68.2 -46.9 9.3 -0.6 22.1 94 95 A E H X S+ 0 0 69 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.856 111.2 52.9 -63.6 -33.9 9.9 -2.6 18.9 95 96 A K H X S+ 0 0 45 -4,-1.3 4,-0.5 -5,-0.3 3,-0.4 0.924 110.9 46.8 -64.6 -44.2 8.5 0.3 16.9 96 97 A F H X S+ 0 0 49 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.819 107.0 58.4 -66.1 -33.7 11.0 2.6 18.7 97 98 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.780 85.8 80.9 -68.8 -29.1 13.8 0.2 18.1 98 99 A V H X S+ 0 0 32 -4,-1.2 4,-1.7 -3,-0.4 -1,-0.2 0.899 96.4 39.6 -43.6 -59.3 13.4 0.3 14.3 99 100 A N H X S+ 0 0 51 -4,-0.5 4,-1.1 -3,-0.3 -1,-0.2 0.778 114.5 53.0 -66.9 -28.3 15.3 3.5 13.7 100 101 A H H <>S+ 0 0 45 -4,-0.6 5,-2.6 -3,-0.4 -1,-0.2 0.832 107.9 51.7 -76.2 -29.4 18.0 2.8 16.3 101 102 A I H ><5S+ 0 0 84 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.890 106.7 54.5 -69.4 -39.2 18.6 -0.6 14.6 102 103 A T H 3<5S+ 0 0 106 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.823 106.1 51.2 -62.5 -33.7 19.0 1.3 11.3 103 104 A R T 3<5S- 0 0 113 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.386 117.2-117.4 -85.0 3.4 21.6 3.5 12.8 104 105 A K T < 5 + 0 0 165 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.892 54.4 164.8 61.0 43.0 23.4 0.4 14.0 105 106 A I < - 0 0 19 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.830 24.5-149.2 -91.2 119.8 23.0 1.3 17.7 106 107 A S > - 0 0 53 -2,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.345 25.1-107.3 -86.4 169.9 23.8 -1.8 19.7 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.894 122.2 50.5 -61.8 -40.5 22.3 -2.9 23.0 108 109 A A H 4 S+ 0 0 80 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.882 111.2 48.5 -65.0 -39.2 25.6 -2.1 24.7 109 110 A E H >4 S+ 0 0 39 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.911 111.0 49.6 -67.1 -43.7 25.7 1.3 23.1 110 111 A F H >< S+ 0 0 36 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.863 100.0 67.2 -63.2 -36.8 22.1 2.1 24.1 111 112 A G G >< S+ 0 0 14 -4,-2.1 3,-1.4 1,-0.3 4,-0.3 0.587 78.5 81.2 -62.0 -11.0 23.0 1.0 27.7 112 113 A K G < S+ 0 0 56 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.581 76.8 72.8 -72.4 -7.3 25.3 4.0 28.0 113 114 A I G <> S+ 0 0 28 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.652 77.9 77.6 -79.8 -15.5 22.2 6.1 28.7 114 115 A N H <> S+ 0 0 49 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.863 89.7 54.3 -61.3 -38.6 21.9 4.5 32.2 115 116 A G H > S+ 0 0 34 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.977 109.5 45.7 -60.2 -56.8 24.7 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 0.856 113.4 50.8 -54.3 -39.9 23.0 10.0 32.5 117 118 A I H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.919 107.9 51.8 -66.4 -43.6 19.6 8.8 33.8 118 119 A K H X S+ 0 0 104 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92.1-157.7 -75.3 -7.3 3.7 -2.8 9.0 200 55 B G < + 0 0 49 -3,-1.9 2,-1.8 -4,-0.3 -1,-0.2 -0.396 61.6 18.9 71.0-140.4 2.6 -5.9 7.1 201 56 B D > + 0 0 86 1,-0.2 3,-1.8 -2,-0.1 4,-0.2 -0.458 63.5 176.1 -70.5 83.4 -1.1 -6.7 6.9 202 57 B V G > + 0 0 21 -2,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.604 69.3 77.8 -65.2 -11.9 -2.6 -3.3 7.7 203 58 B S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.723 80.8 70.1 -70.7 -17.8 -6.1 -4.7 7.1 204 59 B Q G X S- 0 0 108 -3,-1.8 3,-1.4 1,-0.2 -1,-0.3 0.694 83.3-177.6 -70.6 -19.6 -5.8 -6.4 10.5 205 60 B G G X + 0 0 11 -3,-1.3 3,-2.4 1,-0.3 7,-0.3 -0.311 62.4 6.6 62.0-133.6 -6.1 -2.9 12.1 206 61 B M G 3 S+ 0 0 78 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.808 127.2 62.9 -50.9 -35.8 -5.8 -2.8 15.9 207 62 B A G < S+ 0 0 76 -3,-1.4 2,-0.8 4,-0.1 -1,-0.3 0.578 81.8 92.5 -70.5 -9.4 -4.9 -6.5 16.0 208 63 B N <> - 0 0 9 -3,-2.4 4,-3.0 1,-0.2 5,-0.3 -0.791 67.2-156.4 -89.1 108.1 -1.8 -5.8 14.0 209 64 B D H > S+ 0 0 91 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.865 91.1 48.4 -52.5 -44.2 1.0 -5.3 16.6 210 65 B K H > S+ 0 0 98 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 114.3 45.5 -65.6 -42.3 3.2 -3.2 14.2 211 66 B L H > S+ 0 0 0 -12,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.901 114.3 48.6 -67.0 -41.0 0.3 -1.0 13.2 212 67 B R H X S+ 0 0 19 -4,-3.0 4,-2.3 -7,-0.3 5,-0.2 0.914 111.0 51.8 -65.0 -41.5 -0.8 -0.6 16.7 213 68 B G H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.903 113.0 43.5 -61.2 -43.5 2.7 0.2 17.8 214 69 B H H X S+ 0 0 28 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.885 112.1 54.2 -69.1 -40.3 3.1 2.9 15.1 215 70 B S H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.903 109.2 46.0 -62.3 -44.7 -0.4 4.3 15.8 216 71 B I H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.945 113.0 51.1 -63.3 -47.0 0.3 4.9 19.5 217 72 B T H >X S+ 0 0 48 -4,-1.7 3,-1.0 -5,-0.2 4,-0.6 0.859 102.8 60.0 -59.0 -37.5 3.7 6.4 18.8 218 73 B L H >X S+ 0 0 42 -4,-2.1 3,-1.3 1,-0.2 4,-1.3 0.896 98.7 58.4 -58.6 -40.6 2.2 8.8 16.3 219 74 B M H 3X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.5 -1,-0.2 0.731 98.0 59.4 -63.4 -24.2 -0.1 10.3 19.0 220 75 B Y H < S+ 0 0 7 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.943 112.1 49.4 -61.0 -49.0 3.3 19.7 19.2 226 81 B I H >< S+ 0 0 8 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.860 108.1 54.4 -58.8 -38.9 0.3 20.6 21.5 227 82 B D H 3< S+ 0 0 74 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.721 107.7 50.5 -69.3 -22.0 2.6 20.9 24.5 228 83 B Q T X< S+ 0 0 24 -4,-1.0 3,-1.8 -3,-0.9 7,-0.5 0.351 74.3 110.2 -98.4 5.9 4.8 23.5 22.7 229 84 B L T < S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.757 74.9 53.6 -52.8 -30.6 2.0 25.8 21.5 230 85 B D T 3 S+ 0 0 107 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.497 106.3 52.6 -87.7 -2.3 3.0 28.7 23.8 231 86 B N X> - 0 0 58 -3,-1.8 4,-2.3 1,-0.1 3,-1.2 -0.775 62.7-169.4-134.8 90.3 6.6 28.9 22.8 232 87 B P H 3> S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.796 87.5 60.3 -46.5 -35.8 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 0.903 110.2 39.8 -63.0 -41.0 10.8 28.7 19.4 234 89 B D H <> S+ 0 0 9 -3,-1.2 4,-1.9 2,-0.2 5,-0.2 0.880 113.2 54.5 -75.7 -38.5 10.3 25.3 20.9 235 90 B L H X S+ 0 0 3 -4,-2.3 4,-2.5 -7,-0.5 5,-0.2 0.943 108.9 50.1 -58.4 -47.8 7.4 24.4 18.6 236 91 B V H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.918 110.8 46.1 -58.5 -49.6 9.7 25.1 15.6 237 92 B C H X S+ 0 0 5 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.829 114.6 49.2 -66.0 -30.8 12.7 23.1 16.7 238 93 B V H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.874 111.6 48.4 -74.1 -38.9 10.4 20.1 17.6 239 94 B V H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.877 112.9 47.8 -68.6 -37.8 8.6 20.3 14.2 240 95 B E H X S+ 0 0 90 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.867 110.2 51.9 -71.1 -35.7 11.9 20.4 12.3 241 96 B K H X S+ 0 0 42 -4,-1.6 4,-0.5 -5,-0.2 3,-0.3 0.919 111.0 49.5 -63.3 -42.6 13.2 17.5 14.4 242 97 B F H X S+ 0 0 46 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.842 106.0 55.9 -64.7 -36.8 10.1 15.6 13.4 243 98 B A H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.798 86.7 81.6 -68.9 -30.0 10.4 16.4 9.7 244 99 B V H X S+ 0 0 34 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.874 96.4 39.3 -43.6 -55.0 13.9 15.0 9.4 245 100 B N H X S+ 0 0 52 -4,-0.5 4,-1.4 -3,-0.4 -1,-0.2 0.831 115.6 52.1 -69.2 -32.0 12.8 11.3 9.0 246 101 B H H <>S+ 0 0 43 -4,-0.7 5,-2.0 -3,-0.3 -2,-0.2 0.845 108.6 50.5 -73.8 -30.8 9.8 12.1 6.9 247 102 B I H ><5S+ 0 0 82 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.911 108.8 53.0 -70.2 -42.1 11.9 14.2 4.4 248 103 B T H 3<5S+ 0 0 107 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.839 106.4 52.3 -60.1 -35.8 14.3 11.2 4.3 249 104 B R T 3<5S- 0 0 105 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.486 117.0-119.9 -78.1 -3.0 11.3 9.0 3.4 250 105 B K T < 5 + 0 0 175 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.947 53.7 161.2 63.0 52.1 10.5 11.5 0.6 251 106 B I < - 0 0 22 -5,-2.0 -1,-0.2 4,-0.0 -2,-0.1 -0.918 27.8-147.6-105.1 110.0 7.1 12.4 1.9 252 107 B S > - 0 0 57 -2,-0.7 4,-2.2 39,-0.1 5,-0.2 -0.132 25.1-106.9 -71.5 171.9 6.1 15.8 0.3 253 108 B A H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.886 122.0 52.7 -65.6 -39.3 4.0 18.5 1.9 254 109 B A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.897 110.0 47.5 -63.5 -41.6 1.1 17.5 -0.5 255 110 B E H >4 S+ 0 0 41 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.914 110.6 51.2 -66.3 -43.8 1.4 13.9 0.6 256 111 B F H >< S+ 0 0 35 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.856 98.3 68.5 -61.9 -35.2 1.5 14.7 4.3 257 112 B G G >< S+ 0 0 16 -4,-1.9 3,-1.7 1,-0.3 4,-0.3 0.638 78.0 80.8 -60.7 -14.7 -1.6 16.9 3.8 258 113 B K G X S+ 0 0 56 -3,-1.5 3,-0.6 -4,-0.3 -1,-0.3 0.658 77.5 71.7 -67.3 -13.2 -3.6 13.7 3.1 259 114 B I G <> S+ 0 0 27 -3,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.646 78.5 78.6 -76.4 -14.0 -3.8 13.3 6.9 260 115 B N H <> S+ 0 0 49 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.857 89.2 53.2 -62.8 -37.7 -6.3 16.2 7.1 261 116 B G H <> S+ 0 0 37 -3,-0.6 4,-2.1 -4,-0.3 -1,-0.2 0.968 109.8 46.4 -62.9 -54.1 -9.2 14.1 6.0 262 117 B P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.882 112.3 51.6 -55.3 -41.4 -8.7 11.4 8.6 263 118 B I H X S+ 0 0 14 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.924 108.0 51.4 -62.3 -45.3 -8.3 14.0 11.3 264 119 B K H X S+ 0 0 111 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.900 113.1 45.9 -58.4 -42.9 -11.5 15.8 10.3 265 120 B K H X S+ 0 0 120 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.886 111.5 50.0 -69.0 -41.5 -13.3 12.5 10.5 266 121 B V H X S+ 0 0 8 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.903 112.1 49.1 -64.4 -40.3 -11.8 11.4 13.9 267 122 B L H ><>S+ 0 0 4 -4,-2.6 5,-2.5 1,-0.2 3,-1.2 0.918 108.9 52.8 -63.9 -43.3 -12.7 14.8 15.3 268 123 B A H ><5S+ 0 0 58 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.798 100.2 61.3 -63.4 -29.7 -16.3 14.5 14.0 269 124 B S H 3<5S+ 0 0 73 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.729 108.4 44.5 -69.5 -20.2 -16.7 11.1 15.7 270 125 B K T <<5S- 0 0 76 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.256 126.7-104.8-104.0 7.7 -16.1 12.9 19.0 271 126 B N T < 5S+ 0 0 150 -3,-1.3 2,-0.7 1,-0.2 -3,-0.2 0.747 71.9 143.4 74.9 29.6 -18.5 15.7 17.9 272 127 B F < - 0 0 31 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.1 -0.889 37.8-150.8-101.2 111.5 -15.9 18.4 17.1 273 128 B G >> - 0 0 44 -2,-0.7 4,-1.5 -3,-0.1 3,-1.1 0.197 36.4 -69.7 -70.7-169.4 -17.1 20.3 14.1 274 129 B D H 3> S+ 0 0 104 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.785 124.1 68.9 -52.7 -34.3 -15.4 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 0.918 107.3 38.4 -53.0 -45.1 -14.2 24.9 13.6 276 131 B Y H <> S+ 0 0 48 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.816 111.8 57.7 -76.4 -32.7 -11.8 22.3 15.2 277 132 B A H X S+ 0 0 16 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.883 106.2 50.4 -65.8 -37.5 -11.0 20.7 11.8 278 133 B N H X S+ 0 0 100 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.862 107.5 54.0 -67.5 -37.1 -9.7 24.1 10.5 279 134 B A H X S+ 0 0 3 -4,-1.1 4,-1.1 -5,-0.3 3,-0.3 0.934 110.4 46.0 -62.9 -45.6 -7.6 24.6 13.6 280 135 B W H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.829 105.6 59.3 -67.0 -33.2 -5.9 21.2 13.1 281 136 B A H X S+ 0 0 33 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.861 104.4 53.1 -62.9 -33.7 -5.4 21.9 9.4 282 137 B K H X S+ 0 0 77 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.2 0.821 107.5 49.7 -70.2 -33.3 -3.4 24.9 10.5 283 138 B L H >X S+ 0 0 4 -4,-1.1 4,-1.2 2,-0.2 3,-0.9 0.914 110.4 49.8 -71.2 -42.4 -1.2 22.8 12.8 284 139 B V H 3X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.827 103.4 62.1 -63.4 -31.4 -0.5 20.4 10.0 285 140 B A H 3X S+ 0 0 39 -4,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.778 97.4 57.0 -65.8 -27.3 0.4 23.3 7.8 286 141 B V H << S+ 0 0 0 -3,-0.9 4,-0.5 -4,-0.7 -1,-0.2 0.913 109.7 44.8 -69.8 -40.9 3.2 24.2 10.1 287 142 B V H >X S+ 0 0 2 -4,-1.2 3,-1.9 1,-0.2 4,-0.6 0.925 109.0 56.0 -66.6 -45.0 4.6 20.7 9.5 288 143 B Q H >< S+ 0 0 52 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.834 100.5 59.9 -56.3 -33.8 4.0 21.0 5.8 289 144 B A T 3< S+ 0 0 31 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.710 102.8 53.5 -67.6 -19.7 6.2 24.1 5.8 290 145 B A T <4 0 0 19 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.576 360.0 360.0 -91.2 -11.2 9.0 22.0 7.2 291 146 B L << 0 0 66 -3,-1.0 -39,-0.1 -4,-0.6 -47,-0.1 -0.423 360.0 360.0 -92.2 360.0 8.9 19.4 4.4