==== 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 3UHZ . 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) . 13777.0 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 . 165 56.9 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 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,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 164.6 13.7 -11.8 24.2 2 3 A V H > + 0 0 9 141,-0.4 4,-2.1 1,-0.2 5,-0.1 0.823 360.0 56.4 -61.1 -31.0 11.8 -8.6 24.6 3 4 A Y H > S+ 0 0 143 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.871 109.5 44.4 -69.4 -36.7 8.8 -10.6 25.8 4 5 A D H 4 S+ 0 0 105 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.842 113.4 51.1 -74.8 -34.5 10.8 -12.1 28.7 5 6 A A H >< S+ 0 0 17 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.867 105.4 55.7 -70.1 -37.3 12.4 -8.7 29.5 6 7 A A H >< S+ 0 0 11 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.819 100.0 60.7 -64.4 -30.7 9.0 -7.0 29.6 7 8 A A T 3< S+ 0 0 73 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.530 89.4 72.1 -74.5 -5.6 7.9 -9.6 32.3 8 9 A Q T < + 0 0 101 -3,-1.5 2,-1.8 -4,-0.1 -1,-0.3 0.536 69.3 98.4 -86.0 -7.1 10.7 -8.3 34.5 9 10 A L < - 0 0 17 -3,-1.4 -1,-0.1 -4,-0.2 -3,-0.0 -0.585 64.3-172.7 -83.3 80.9 8.8 -5.1 35.1 10 11 A T > - 0 0 75 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.054 38.5 -92.1 -67.9 173.2 7.3 -6.2 38.5 11 12 A A H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.913 125.7 42.8 -54.3 -51.1 4.7 -4.3 40.5 12 13 A D H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.844 111.5 55.1 -68.2 -33.5 7.2 -2.3 42.6 13 14 A V H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.935 109.0 47.8 -63.9 -44.9 9.4 -1.6 39.6 14 15 A K H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.884 111.7 51.2 -62.4 -38.8 6.5 -0.1 37.7 15 16 A K H X S+ 0 0 110 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.915 109.6 48.0 -66.1 -44.2 5.5 2.0 40.8 16 17 A D H X S+ 0 0 20 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.810 109.4 54.9 -67.4 -28.9 9.0 3.4 41.2 17 18 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.926 111.7 43.9 -68.2 -43.9 9.1 4.2 37.5 18 19 A R H X S+ 0 0 78 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 112.3 50.5 -66.3 -48.6 5.9 6.2 37.8 19 20 A D H X S+ 0 0 57 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.899 116.4 41.8 -58.2 -42.4 6.8 8.0 41.1 20 21 A S H >X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 3,-0.9 0.890 112.4 53.1 -73.5 -39.5 10.2 9.1 39.6 21 22 A W H 3X S+ 0 0 14 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.836 96.3 69.0 -64.7 -30.3 8.8 10.0 36.2 22 23 A K H 3< S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.9 30.7 -56.4 -33.2 6.2 12.2 37.9 23 24 A V H X< S+ 0 0 64 -3,-0.9 3,-1.3 -4,-0.6 4,-0.4 0.923 124.2 41.9 -89.3 -54.7 9.0 14.5 38.8 24 25 A I H >< S+ 0 0 12 -4,-2.4 3,-0.9 1,-0.3 7,-0.3 0.825 113.3 55.3 -59.9 -37.1 11.6 14.1 36.0 25 26 A G T 3< S+ 0 0 8 -4,-2.9 3,-0.4 -5,-0.3 -1,-0.3 0.490 88.3 80.2 -79.0 -5.5 8.8 14.1 33.4 26 27 A S T < S+ 0 0 97 -3,-1.3 2,-0.4 1,-0.3 -1,-0.2 0.774 102.2 33.5 -71.1 -29.0 7.6 17.5 34.7 27 28 A D <> + 0 0 78 -3,-0.9 4,-2.5 -4,-0.4 5,-0.4 -0.745 68.1 167.0-130.9 82.5 10.3 19.4 32.8 28 29 A K H > S+ 0 0 32 -3,-0.4 4,-1.7 -2,-0.4 5,-0.2 0.878 78.1 49.2 -64.4 -40.9 10.9 17.5 29.6 29 30 A K H > S+ 0 0 65 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.955 116.9 40.4 -65.5 -49.7 12.9 20.3 28.0 30 31 A G H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.933 122.5 37.9 -65.9 -49.5 15.2 20.8 31.0 31 32 A N H X S+ 0 0 12 -4,-2.5 4,-1.9 -7,-0.3 -1,-0.2 0.788 113.6 57.8 -74.3 -28.1 15.8 17.2 32.0 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.4 -2,-0.2 0.944 110.5 42.1 -66.5 -46.7 15.9 16.0 28.4 33 34 A V H X S+ 0 0 11 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.895 112.7 52.9 -66.5 -41.5 18.8 18.3 27.6 34 35 A A H X S+ 0 0 35 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.892 108.5 53.0 -60.7 -37.6 20.6 17.6 30.8 35 36 A L H X S+ 0 0 8 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.923 112.9 41.9 -63.1 -46.7 20.2 13.9 29.9 36 37 A M H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.887 113.2 51.5 -69.8 -41.1 21.8 14.4 26.5 37 38 A T H X S+ 0 0 51 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.863 110.4 50.6 -65.0 -33.8 24.6 16.7 27.7 38 39 A T H X S+ 0 0 30 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.876 108.8 51.6 -70.6 -38.0 25.5 14.2 30.4 39 40 A L H X S+ 0 0 14 -4,-1.6 4,-2.2 1,-0.2 7,-0.2 0.934 110.8 47.4 -63.7 -46.3 25.7 11.4 27.8 40 41 A F H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 115.3 47.0 -66.8 -26.3 28.0 13.4 25.6 41 42 A A H < S+ 0 0 61 -4,-1.3 3,-0.4 -5,-0.2 -2,-0.2 0.897 118.2 37.5 -82.2 -43.9 30.2 14.3 28.6 42 43 A D H < S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.755 131.5 29.6 -79.7 -25.7 30.5 10.8 30.2 43 44 A N >< + 0 0 36 -4,-2.2 3,-2.2 -5,-0.3 4,-0.3 -0.580 63.3 170.1-136.0 73.2 30.7 9.0 26.8 44 45 A Q G > S+ 0 0 122 -3,-0.4 3,-1.3 1,-0.3 4,-0.3 0.725 71.9 75.5 -53.9 -25.0 32.3 11.3 24.2 45 46 A E G > S+ 0 0 104 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.711 87.7 60.2 -63.4 -20.2 32.5 8.3 21.8 46 47 A T G X S+ 0 0 5 -3,-2.2 3,-1.5 -7,-0.2 4,-0.5 0.653 79.1 85.5 -83.1 -15.9 28.7 8.6 21.2 47 48 A I G X S+ 0 0 52 -3,-1.3 3,-1.4 -4,-0.3 -1,-0.2 0.804 77.6 69.6 -55.0 -30.2 28.9 12.1 19.8 48 49 A G G X S+ 0 0 40 -3,-0.5 3,-1.1 -4,-0.3 -1,-0.3 0.839 91.0 58.3 -58.4 -35.1 29.7 10.6 16.4 49 50 A Y G < S+ 0 0 109 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.702 103.9 54.6 -68.1 -19.6 26.2 9.2 16.0 50 51 A F G X + 0 0 46 -3,-1.4 3,-1.7 -4,-0.5 4,-0.4 -0.058 61.7 132.3-107.3 32.4 24.7 12.7 16.4 51 52 A K G X + 0 0 178 -3,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.818 68.8 62.9 -50.6 -35.9 26.7 14.6 13.6 52 53 A R G 3 S+ 0 0 104 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.775 90.4 66.4 -63.3 -28.8 23.4 16.1 12.4 53 54 A L G < S- 0 0 7 -3,-1.7 12,-0.3 1,-0.2 -1,-0.3 0.636 92.6-152.7 -69.7 -14.5 22.8 18.0 15.6 54 55 A G < + 0 0 51 -3,-1.4 2,-1.3 -4,-0.4 -1,-0.2 -0.552 62.8 14.8 80.6-142.0 25.9 20.2 15.0 55 56 A D > - 0 0 90 -2,-0.2 3,-1.2 1,-0.2 4,-0.2 -0.578 64.8-175.8 -75.8 96.9 27.8 21.7 17.9 56 57 A V G > S+ 0 0 19 -2,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.675 72.6 72.2 -66.2 -21.3 26.4 19.6 20.9 57 58 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.691 80.3 74.1 -70.8 -18.0 28.4 21.6 23.5 58 59 A Q G X S- 0 0 115 -3,-1.2 3,-1.7 1,-0.2 -1,-0.3 0.671 80.2-178.4 -68.0 -16.3 26.0 24.6 23.0 59 60 A G G X + 0 0 9 -3,-1.3 3,-2.4 1,-0.3 7,-0.2 -0.280 63.3 12.0 58.0-128.7 23.4 22.6 24.9 60 61 A M G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.760 124.7 63.2 -51.5 -31.4 20.1 24.4 25.3 61 62 A A G < S+ 0 0 69 -3,-1.7 2,-0.9 4,-0.1 -1,-0.3 0.644 81.9 90.0 -71.8 -16.0 21.1 27.0 22.7 62 63 A N <> - 0 0 20 -3,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.752 65.3-160.4 -85.5 108.2 21.4 24.3 20.0 63 64 A D H > S+ 0 0 78 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.864 89.6 49.5 -56.5 -41.6 17.9 24.1 18.4 64 65 A K H > S+ 0 0 101 -11,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.880 113.0 47.2 -67.4 -37.5 18.4 20.7 16.9 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.897 112.5 49.5 -69.6 -40.4 19.7 19.3 20.2 66 67 A R H X S+ 0 0 19 -4,-2.6 4,-1.9 -7,-0.2 -2,-0.2 0.898 111.7 49.7 -65.5 -39.6 16.8 20.9 22.1 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.931 113.4 45.1 -64.3 -46.1 14.4 19.4 19.5 68 69 A H H X S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 110.9 53.8 -63.1 -45.7 15.9 15.9 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.871 109.7 47.6 -58.4 -40.1 16.0 16.1 23.6 70 71 A I H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 3,-0.3 0.951 111.0 50.5 -67.1 -48.4 12.3 17.0 23.9 71 72 A A H >X S+ 0 0 31 -4,-2.1 4,-0.9 1,-0.2 3,-0.5 0.890 106.0 57.8 -55.8 -41.1 11.3 14.2 21.5 72 73 A L H >X S+ 0 0 40 -4,-2.5 4,-1.4 1,-0.2 3,-1.0 0.910 102.7 53.3 -56.7 -44.4 13.4 11.8 23.5 73 74 A M H 3X S+ 0 0 2 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.790 104.1 55.4 -64.0 -28.9 11.3 12.6 26.7 74 75 A Y H < S+ 0 0 9 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.920 111.3 50.5 -57.3 -47.1 6.8 3.8 27.6 80 81 A I H >< S+ 0 0 5 -4,-2.8 3,-1.4 1,-0.2 4,-0.2 0.920 108.4 52.6 -58.1 -44.7 5.6 4.9 31.1 81 82 A D H 3< S+ 0 0 63 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.718 107.2 53.3 -65.4 -21.2 2.0 5.2 29.8 82 83 A Q T X< S+ 0 0 20 -4,-1.2 3,-1.2 -3,-0.7 7,-0.5 0.416 75.8 102.1 -94.6 1.7 2.2 1.6 28.4 83 84 A L T < S+ 0 0 5 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.780 74.6 61.0 -56.4 -28.6 3.3 -0.0 31.7 84 85 A D T 3 S+ 0 0 120 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.813 106.6 45.8 -69.2 -31.2 -0.3 -1.3 32.4 85 86 A N X> - 0 0 54 -3,-1.2 4,-2.5 1,-0.1 3,-0.6 -0.894 62.9-167.3-120.7 103.6 -0.4 -3.4 29.2 86 87 A P H 3> S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 90.7 57.7 -53.0 -40.1 2.6 -5.6 28.4 87 88 A D H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.888 111.0 41.6 -60.1 -40.8 1.3 -6.2 24.9 88 89 A D H <> S+ 0 0 9 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.878 111.3 55.5 -75.0 -38.3 1.3 -2.5 24.1 89 90 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 -7,-0.5 -2,-0.2 0.936 108.7 49.9 -57.9 -46.4 4.6 -1.9 25.8 90 91 A V H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.932 110.0 47.3 -58.9 -50.9 6.2 -4.5 23.6 91 92 A C H X S+ 0 0 6 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.829 113.3 49.6 -64.0 -30.7 4.8 -3.1 20.3 92 93 A V H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.875 111.2 49.6 -74.1 -37.0 5.9 0.4 21.2 93 94 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.917 112.3 46.2 -67.2 -44.1 9.4 -0.8 22.2 94 95 A E H X S+ 0 0 66 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.864 112.3 51.4 -66.5 -35.8 9.8 -2.7 18.9 95 96 A K H X S+ 0 0 47 -4,-1.6 4,-0.6 -5,-0.2 3,-0.3 0.927 111.9 47.2 -64.8 -44.6 8.5 0.3 16.9 96 97 A F H X S+ 0 0 49 -4,-2.2 4,-0.7 1,-0.2 3,-0.4 0.851 107.6 56.9 -64.3 -37.6 11.0 2.6 18.7 97 98 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.799 87.1 79.6 -66.8 -31.0 13.9 0.2 18.1 98 99 A V H X S+ 0 0 33 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.900 97.2 40.9 -43.7 -57.1 13.4 0.2 14.3 99 100 A N H X S+ 0 0 50 -4,-0.6 4,-1.0 -3,-0.4 -1,-0.2 0.813 114.9 51.4 -65.9 -31.1 15.2 3.5 13.8 100 101 A H H <>S+ 0 0 42 -4,-0.7 5,-2.7 -3,-0.4 -1,-0.2 0.831 108.6 51.7 -75.1 -30.5 17.9 2.8 16.3 101 102 A I H ><5S+ 0 0 81 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.889 106.5 55.1 -69.4 -38.0 18.6 -0.6 14.7 102 103 A T H 3<5S+ 0 0 105 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.791 106.3 50.3 -64.6 -29.6 18.9 1.3 11.3 103 104 A R T 3<5S- 0 0 112 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.396 118.3-115.7 -88.9 2.3 21.6 3.5 12.8 104 105 A K T < 5 + 0 0 159 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.826 54.4 164.9 67.1 35.9 23.4 0.4 14.1 105 106 A I < - 0 0 19 -5,-2.7 -1,-0.2 4,-0.1 -2,-0.1 -0.757 24.5-150.1 -85.8 114.9 23.0 1.2 17.7 106 107 A S > - 0 0 54 -2,-0.7 4,-2.5 39,-0.1 5,-0.2 -0.307 26.1-107.2 -80.4 168.4 23.7 -2.0 19.7 107 108 A A H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.851 122.4 52.5 -62.8 -35.0 22.2 -3.0 23.0 108 109 A A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.877 109.8 48.1 -68.8 -38.1 25.6 -2.2 24.7 109 110 A E H >4 S+ 0 0 37 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.935 111.5 49.2 -67.1 -47.7 25.7 1.3 23.1 110 111 A F H >< S+ 0 0 36 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.881 100.2 67.2 -59.0 -39.7 22.1 2.1 24.1 111 112 A G G >< S+ 0 0 14 -4,-1.9 3,-1.6 1,-0.3 4,-0.3 0.627 79.4 80.0 -58.3 -14.5 22.9 0.9 27.7 112 113 A K G X S+ 0 0 56 -3,-1.6 3,-0.7 -4,-0.3 -1,-0.3 0.631 76.7 73.5 -69.3 -11.5 25.2 3.9 28.1 113 114 A I G <> S+ 0 0 25 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.688 77.6 78.1 -74.9 -17.1 22.1 6.0 28.8 114 115 A N H <> S+ 0 0 46 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.840 89.2 54.5 -60.3 -35.6 21.9 4.3 32.2 115 116 A G H <> S+ 0 0 33 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.974 109.4 45.2 -63.2 -55.7 24.7 6.5 33.6 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.860 112.7 51.8 -56.0 -39.7 23.0 9.8 32.6 117 118 A I H X S+ 0 0 12 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.920 108.8 50.5 -65.3 -43.0 19.6 8.7 33.9 118 119 A K H X S+ 0 0 101 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0.617 92.3-158.2 -71.8 -11.0 3.7 -2.8 9.0 200 55 B G < + 0 0 49 -3,-1.6 2,-1.8 -4,-0.4 -1,-0.2 -0.477 61.5 19.2 74.5-137.2 2.6 -5.9 7.1 201 56 B D > + 0 0 86 -2,-0.2 3,-1.8 1,-0.2 4,-0.2 -0.500 63.4 176.6 -75.0 83.9 -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 0.602 68.6 78.8 -63.9 -12.3 -2.6 -3.3 7.8 203 58 B S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.686 80.2 69.6 -71.1 -15.6 -6.1 -4.7 7.2 204 59 B Q G X S- 0 0 106 -3,-1.8 3,-1.4 1,-0.2 -1,-0.3 0.657 82.1-176.9 -74.8 -16.2 -5.9 -6.3 10.7 205 60 B G G X + 0 0 11 -3,-1.3 3,-2.1 1,-0.3 7,-0.3 -0.287 64.1 8.6 58.9-131.5 -6.1 -2.9 12.2 206 61 B M G 3 S+ 0 0 77 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.833 126.7 61.7 -48.6 -41.2 -5.8 -2.8 16.0 207 62 B A G < S+ 0 0 75 -3,-1.4 2,-0.9 4,-0.1 -1,-0.3 0.665 82.2 91.9 -63.8 -18.5 -4.9 -6.5 16.1 208 63 B N <> - 0 0 11 -3,-2.1 4,-2.9 1,-0.2 5,-0.2 -0.717 67.3-156.9 -82.2 109.2 -1.8 -5.8 14.0 209 64 B D H > S+ 0 0 89 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.851 90.1 49.0 -55.0 -41.5 1.0 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3X S+ 0 0 13 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.3 0.655 101.5 56.6 -77.7 -14.4 2.8 11.1 21.1 221 76 B A H < S+ 0 0 6 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.923 111.5 50.2 -56.5 -48.6 3.2 19.5 19.3 226 81 B I H >< S+ 0 0 7 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.880 108.2 53.3 -59.2 -40.3 0.2 20.4 21.5 227 82 B D H 3< S+ 0 0 76 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.738 108.8 49.9 -68.3 -23.4 2.4 20.9 24.6 228 83 B Q T X< S+ 0 0 24 -4,-1.2 3,-1.9 -3,-0.7 7,-0.5 0.369 76.5 107.7 -96.9 5.3 4.7 23.3 22.7 229 84 B L T < S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.776 74.2 55.5 -54.5 -31.6 1.9 25.6 21.4 230 85 B D T 3 S+ 0 0 104 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.394 105.9 52.8 -86.3 5.3 2.7 28.5 23.8 231 86 B N X> - 0 0 58 -3,-1.9 4,-2.2 1,-0.1 3,-1.2 -0.737 62.8-168.0-142.1 90.6 6.4 28.8 22.7 232 87 B P H 3> S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.794 87.8 59.9 -45.1 -38.3 7.0 29.1 19.0 233 88 B D H 3> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.895 110.6 39.9 -62.3 -40.5 10.8 28.5 19.4 234 89 B D H <> S+ 0 0 9 -3,-1.2 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0.867 96.6 40.3 -39.9 -57.1 13.7 14.9 9.3 245 100 B N H X S+ 0 0 51 -4,-0.5 4,-1.3 -3,-0.4 -1,-0.3 0.819 115.4 51.0 -68.0 -31.4 12.6 11.3 9.0 246 101 B H H <>S+ 0 0 42 -4,-0.7 5,-2.5 -3,-0.5 -1,-0.2 0.823 109.1 51.5 -74.8 -29.6 9.6 12.1 6.8 247 102 B I H ><5S+ 0 0 84 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.905 107.8 52.6 -70.0 -41.5 11.8 14.0 4.4 248 103 B T H 3<5S+ 0 0 105 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.840 105.9 53.9 -61.9 -33.5 14.1 11.1 4.2 249 104 B R T 3<5S- 0 0 101 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.412 117.9-117.7 -81.2 3.1 11.1 8.9 3.4 250 105 B K T < 5 + 0 0 175 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.872 54.4 163.6 62.0 40.8 10.4 11.3 0.6 251 106 B I < - 0 0 24 -5,-2.5 -1,-0.2 4,-0.0 -2,-0.1 -0.819 25.5-149.3 -92.9 110.4 7.0 12.4 1.9 252 107 B S > - 0 0 59 -2,-0.8 4,-2.5 39,-0.1 5,-0.2 -0.243 24.5-108.8 -74.5 166.4 6.0 15.6 0.2 253 108 B A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.903 120.8 50.5 -61.7 -42.9 3.9 18.3 1.8 254 109 B A H 4 S+ 0 0 77 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.900 111.0 48.9 -62.7 -41.0 1.0 17.5 -0.4 255 110 B E H >4 S+ 0 0 38 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.916 110.8 49.9 -64.1 -44.5 1.3 13.8 0.5 256 111 B F H >< S+ 0 0 35 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.841 99.2 67.9 -63.1 -34.9 1.4 14.6 4.2 257 112 B G G >< S+ 0 0 14 -4,-2.0 3,-1.5 1,-0.3 4,-0.3 0.582 77.6 82.5 -63.5 -9.5 -1.7 16.8 3.8 258 113 B K G < S+ 0 0 50 -3,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.631 75.7 72.9 -70.5 -11.5 -3.7 13.7 3.1 259 114 B I G <> S+ 0 0 29 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.600 77.9 78.9 -78.0 -10.7 -3.9 13.2 6.9 260 115 B N H <> S+ 0 0 49 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.887 88.7 52.5 -64.8 -41.7 -6.4 16.1 7.1 261 116 B G H > S+ 0 0 35 -3,-0.5 4,-2.3 -4,-0.3 5,-0.2 0.970 110.7 46.8 -59.1 -55.0 -9.4 14.1 6.0 262 117 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 112.5 50.3 -54.0 -42.9 -8.8 11.4 8.6 263 118 B I H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.921 108.6 52.2 -63.3 -43.4 -8.3 14.0 11.3 264 119 B K H X S+ 0 0 111 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 112.9 45.2 -58.9 -43.6 -11.5 15.7 10.3 265 120 B K H X S+ 0 0 113 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.882 111.9 50.0 -69.0 -40.6 -13.4 12.4 10.5 266 121 B V H X S+ 0 0 7 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.930 112.0 48.9 -64.4 -43.8 -11.9 11.3 13.9 267 122 B L H ><>S+ 0 0 4 -4,-2.7 5,-2.4 1,-0.2 3,-1.3 0.932 110.7 51.0 -59.2 -46.6 -12.8 14.7 15.3 268 123 B A H ><5S+ 0 0 57 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.822 100.7 61.4 -61.8 -33.3 -16.3 14.4 14.0 269 124 B S H 3<5S+ 0 0 74 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.726 109.3 44.0 -66.5 -19.1 -16.7 10.9 15.5 270 125 B K T <<5S- 0 0 83 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.204 126.8-104.1-107.1 12.2 -16.2 12.7 18.8 271 126 B N T < 5S+ 0 0 150 -3,-1.8 2,-0.7 1,-0.2 -3,-0.3 0.734 73.0 141.3 71.9 28.1 -18.5 15.5 17.9 272 127 B F < - 0 0 31 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.895 39.5-150.3-102.0 111.3 -15.9 18.2 17.1 273 128 B G >> - 0 0 44 -2,-0.7 4,-1.7 -3,-0.1 3,-0.9 0.239 35.7 -69.5 -69.5-167.7 -17.1 20.1 14.1 274 129 B D H 3> S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.785 123.5 68.4 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62.0 -57.4 -34.0 -0.6 20.2 10.0 285 140 B A H 3X S+ 0 0 38 -4,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.796 97.0 57.8 -63.5 -28.9 0.2 23.2 7.9 286 141 B V H << S+ 0 0 0 -3,-1.3 4,-0.5 -4,-0.8 -1,-0.2 0.915 109.2 44.0 -68.0 -41.6 3.1 24.0 10.2 287 142 B V H >< S+ 0 0 4 -4,-1.2 3,-1.6 1,-0.2 4,-0.4 0.902 108.6 57.7 -68.4 -41.5 4.6 20.5 9.6 288 143 B Q H >< S+ 0 0 50 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.822 99.3 60.3 -58.2 -31.7 3.9 20.9 5.8 289 144 B A T 3< S+ 0 0 30 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.729 102.3 53.1 -68.9 -21.6 6.1 24.0 5.8 290 145 B A T < 0 0 19 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.474 360.0 360.0 -92.3 -3.6 9.0 21.9 7.1 291 146 B L < 0 0 67 -3,-1.1 -39,-0.1 -4,-0.4 -47,-0.1 -0.483 360.0 360.0 -98.4 360.0 8.7 19.3 4.3