==== 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 3UHI . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR Z.REN,V.SRAJER,J.E.KNAPP,W.E.ROYER JR. . 580 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 86.9 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 . 19 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 57.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 3 1 3 1 0 3 1 0 0 0 4 7 3 2 2 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 0 116 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-170.1 34.6 -21.8 13.9 2 3 A V H 3> + 0 0 28 141,-0.4 4,-2.5 1,-0.3 5,-0.2 0.860 360.0 52.0 -47.4 -47.5 36.0 -18.5 15.4 3 4 A Y H 3> S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.889 107.8 51.4 -60.9 -40.0 38.9 -20.2 17.1 4 5 A D H <> S+ 0 0 117 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.828 110.8 50.3 -66.1 -29.9 39.9 -21.9 13.9 5 6 A A H >< S+ 0 0 18 -4,-1.7 3,-1.1 1,-0.2 4,-0.3 0.897 106.3 54.5 -73.5 -40.2 39.8 -18.5 12.3 6 7 A A H >< S+ 0 0 8 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.879 99.7 61.3 -60.8 -38.2 42.0 -17.0 15.1 7 8 A A H 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.751 88.2 72.7 -60.9 -24.3 44.6 -19.7 14.5 8 9 A Q T << S+ 0 0 115 -3,-1.1 2,-1.6 -4,-0.5 -1,-0.3 0.686 74.2 93.5 -63.7 -17.9 45.0 -18.3 10.9 9 10 A L < - 0 0 15 -3,-2.0 -1,-0.1 -4,-0.3 2,-0.1 -0.605 65.3-178.3 -81.6 87.1 46.7 -15.3 12.6 10 11 A T > - 0 0 66 -2,-1.6 4,-3.0 1,-0.1 5,-0.4 -0.331 44.7 -91.5 -83.7 166.4 50.4 -16.4 12.3 11 12 A A H > S+ 0 0 78 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.838 129.2 44.6 -43.6 -43.6 53.5 -14.7 13.6 12 13 A D H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.907 112.0 51.2 -71.3 -43.1 53.9 -13.0 10.2 13 14 A V H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.930 112.8 45.6 -59.9 -46.3 50.2 -12.0 9.9 14 15 A K H X S+ 0 0 52 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.856 111.8 53.5 -65.4 -34.4 50.2 -10.5 13.4 15 16 A K H X S+ 0 0 115 -4,-1.6 4,-2.6 -5,-0.4 -2,-0.2 0.925 109.5 47.0 -66.7 -44.5 53.5 -8.7 12.5 16 17 A D H X S+ 0 0 8 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.863 110.7 53.1 -66.1 -35.9 52.0 -7.2 9.4 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.973 112.3 43.9 -62.8 -52.3 48.9 -6.1 11.2 18 19 A R H X S+ 0 0 75 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 111.5 52.8 -57.3 -52.1 50.9 -4.3 13.9 19 20 A D H < S+ 0 0 65 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.851 116.9 38.8 -54.1 -38.9 53.3 -2.7 11.4 20 21 A S H >X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 3,-1.1 0.884 112.7 54.3 -80.7 -40.1 50.4 -1.2 9.4 21 22 A W H 3X S+ 0 0 16 -4,-3.0 4,-1.7 1,-0.3 -2,-0.2 0.780 97.8 66.9 -64.7 -24.3 48.2 -0.3 12.4 22 23 A K H 3< S+ 0 0 163 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.842 112.5 32.6 -64.4 -30.4 51.1 1.6 13.7 23 24 A V H X4 S+ 0 0 61 -3,-1.1 3,-0.9 -4,-0.4 4,-0.3 0.908 124.3 39.7 -91.4 -52.6 50.7 4.0 10.8 24 25 A I H 3< S+ 0 0 13 -4,-2.6 3,-0.5 1,-0.2 7,-0.2 0.685 112.5 59.8 -73.3 -15.6 47.0 4.0 10.1 25 26 A G T >< S+ 0 0 5 -4,-1.7 3,-0.6 -5,-0.4 -1,-0.2 0.623 87.9 72.0 -86.4 -13.4 46.2 4.0 13.8 26 27 A S T < S+ 0 0 100 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.629 104.7 40.3 -76.1 -12.7 48.0 7.3 14.5 27 28 A D T 3>> + 0 0 78 -3,-0.5 4,-3.2 -4,-0.3 5,-0.5 -0.507 67.4 160.7-134.0 64.0 45.2 9.2 12.7 28 29 A K H <>5S+ 0 0 32 -3,-0.6 4,-1.5 1,-0.2 5,-0.2 0.843 78.7 46.6 -53.3 -40.9 42.0 7.4 13.8 29 30 A K H >5S+ 0 0 64 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.941 117.6 43.0 -69.7 -46.9 39.9 10.4 12.9 30 31 A G H >5S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.978 122.7 34.8 -62.8 -59.4 41.5 10.8 9.5 31 32 A N H X5S+ 0 0 11 -4,-3.2 4,-2.0 -7,-0.2 -1,-0.2 0.782 113.1 62.8 -68.3 -27.2 41.7 7.2 8.5 32 33 A G H X< + 0 0 28 -4,-2.7 3,-2.3 -5,-0.2 4,-0.3 -0.517 58.4 166.4-142.7 72.3 29.0 0.0 -1.9 44 45 A Q G > S+ 0 0 144 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.718 73.1 78.0 -57.8 -20.3 26.1 2.4 -2.0 45 46 A E G 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.681 91.9 52.7 -63.7 -17.1 23.9 -0.6 -1.2 46 47 A T G X S+ 0 0 9 -3,-2.3 3,-1.5 -7,-0.2 4,-0.5 0.539 79.5 89.5 -96.4 -10.6 25.1 -0.3 2.4 47 48 A I G X S+ 0 0 62 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.2 0.809 76.6 69.6 -58.1 -29.2 24.2 3.3 3.1 48 49 A G G > S+ 0 0 47 -4,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.840 90.2 62.1 -57.8 -33.2 20.8 2.3 4.2 49 50 A Y G < S+ 0 0 88 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.776 100.8 53.4 -63.9 -27.7 22.3 0.7 7.3 50 51 A F G X + 0 0 45 -3,-1.3 3,-0.8 -4,-0.5 4,-0.3 -0.231 64.4 130.2-104.3 44.9 23.7 4.1 8.5 51 52 A K G X + 0 0 146 -3,-0.9 3,-1.8 1,-0.2 -1,-0.2 0.903 69.0 60.9 -61.9 -40.9 20.4 6.0 8.4 52 53 A R G 3 S+ 0 0 182 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.732 94.4 62.8 -59.6 -25.7 21.0 7.3 11.9 53 54 A L G < S- 0 0 7 -3,-0.8 12,-0.4 1,-0.3 -1,-0.3 0.546 96.5-148.7 -78.5 -7.8 24.3 9.0 10.9 54 55 A G < + 0 0 47 -3,-1.8 2,-1.7 -4,-0.3 -1,-0.3 -0.517 63.4 9.2 79.2-142.3 22.4 11.3 8.5 55 56 A D > + 0 0 92 -2,-0.2 3,-2.2 1,-0.2 4,-0.3 -0.542 63.7 178.9 -79.0 82.0 24.0 12.6 5.4 56 57 A V G > S+ 0 0 9 -2,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.671 71.4 77.2 -57.6 -19.2 27.2 10.5 5.3 57 58 A S G 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.750 79.9 72.2 -63.9 -22.6 28.2 12.2 2.0 58 59 A Q G X S- 0 0 109 -3,-2.2 3,-0.8 1,-0.2 2,-0.4 0.827 83.1-173.3 -62.5 -33.9 29.2 15.2 4.1 59 60 A G G X + 0 0 10 -3,-1.1 3,-1.1 -4,-0.3 7,-0.2 -0.607 60.1 8.3 82.4-130.9 32.2 13.4 5.4 60 61 A M G 3 S+ 0 0 87 -2,-0.4 -1,-0.2 1,-0.2 6,-0.2 0.802 125.0 63.2 -58.6 -32.8 34.4 14.9 8.2 61 62 A A G < S+ 0 0 62 -3,-0.8 2,-0.6 4,-0.1 -1,-0.2 0.780 80.8 90.8 -65.2 -30.2 31.9 17.7 8.7 62 63 A N <> - 0 0 18 -3,-1.1 4,-2.4 1,-0.2 5,-0.2 -0.602 64.9-159.3 -72.5 113.9 29.1 15.3 9.8 63 64 A D H > S+ 0 0 88 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.928 89.1 49.2 -58.7 -51.8 29.5 15.1 13.6 64 65 A K H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 113.9 46.9 -57.2 -42.2 27.6 11.8 14.0 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.911 111.4 50.2 -67.8 -43.0 29.7 10.2 11.2 66 67 A R H X S+ 0 0 20 -4,-2.4 4,-2.3 -7,-0.2 -2,-0.2 0.903 110.9 48.8 -62.5 -42.9 33.0 11.5 12.6 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.868 112.7 48.6 -65.4 -36.3 32.2 10.2 16.1 68 69 A H H X S+ 0 0 55 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.917 110.4 50.8 -68.2 -45.5 31.2 6.8 14.7 69 70 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.935 110.6 48.2 -58.2 -51.2 34.4 6.6 12.6 70 71 A I H >X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 3,-0.6 0.965 112.6 48.5 -55.0 -53.9 36.7 7.4 15.5 71 72 A T H >X S+ 0 0 57 -4,-2.0 4,-1.1 1,-0.3 3,-0.6 0.882 106.4 57.5 -54.6 -41.3 34.9 4.8 17.7 72 73 A L H >X S+ 0 0 49 -4,-2.6 4,-1.6 1,-0.2 3,-0.6 0.901 102.6 55.6 -56.5 -40.6 35.2 2.2 14.9 73 74 A M H < S+ 0 0 5 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.914 109.1 50.2 -65.8 -44.7 41.6 -6.4 18.2 80 81 A I H >< S+ 0 0 5 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.870 106.5 56.9 -62.0 -36.5 45.2 -5.5 17.6 81 82 A D T 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.548 105.8 51.7 -72.6 -7.0 45.9 -5.4 21.3 82 83 A Q T < S+ 0 0 19 -3,-1.3 7,-0.6 -4,-0.3 3,-0.5 0.274 72.7 106.6-112.0 9.5 44.7 -9.0 21.7 83 84 A L S < S+ 0 0 5 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.708 77.8 55.8 -62.5 -20.3 46.8 -10.7 19.1 84 85 A D S S+ 0 0 122 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.853 110.2 44.2 -79.8 -35.4 49.0 -12.3 21.7 85 86 A N >> - 0 0 55 -3,-0.5 4,-2.5 1,-0.2 3,-0.9 -0.806 63.7-171.8-114.4 91.6 46.1 -14.0 23.6 86 87 A P H 3> S+ 0 0 60 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.814 87.7 61.3 -50.4 -31.2 43.7 -15.6 21.1 87 88 A D H 3> S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.929 108.2 41.0 -61.1 -47.4 41.4 -16.3 24.1 88 89 A D H <> S+ 0 0 10 -3,-0.9 4,-2.0 2,-0.2 5,-0.2 0.921 114.1 54.2 -66.2 -43.6 41.0 -12.5 24.8 89 90 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 -7,-0.6 -2,-0.2 0.925 109.4 47.9 -55.5 -48.2 40.8 -11.8 21.0 90 91 A V H X S+ 0 0 12 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.896 109.1 51.4 -62.2 -44.8 37.9 -14.3 20.6 91 92 A C H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.863 114.0 44.5 -64.9 -34.6 35.9 -13.0 23.6 92 93 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.885 111.1 52.7 -75.8 -38.8 36.1 -9.4 22.4 93 94 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.877 109.2 52.6 -62.1 -34.9 35.3 -10.4 18.8 94 95 A E H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.952 108.5 46.7 -65.6 -51.0 32.2 -12.2 20.1 95 96 A R H X S+ 0 0 25 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.891 114.4 50.4 -57.6 -38.7 30.9 -9.2 22.1 96 97 A F H >X S+ 0 0 43 -4,-2.2 3,-1.2 1,-0.2 4,-1.1 0.908 105.6 55.4 -64.9 -44.5 31.5 -7.1 18.9 97 98 A A H 3X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 3,-0.4 0.903 98.2 62.4 -56.1 -44.3 29.7 -9.6 16.8 98 99 A V H 3X S+ 0 0 27 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.772 99.2 58.5 -54.0 -27.4 26.6 -9.3 19.0 99 100 A N H << S+ 0 0 73 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.947 113.2 33.6 -68.8 -50.9 26.5 -5.6 17.9 100 101 A H H ><>S+ 0 0 52 -4,-1.1 5,-2.8 -3,-0.4 3,-0.7 0.749 110.5 64.6 -78.1 -25.2 26.2 -6.2 14.2 101 102 A I H ><5S+ 0 0 72 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.902 103.0 49.3 -63.3 -38.7 24.2 -9.4 14.6 102 103 A T T 3<5S+ 0 0 92 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.594 107.2 56.0 -75.5 -10.7 21.4 -7.3 16.1 103 104 A R T < 5S- 0 0 128 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.326 119.4-112.5 -99.7 4.7 21.8 -4.9 13.1 104 105 A K T < 5 + 0 0 159 -3,-1.3 2,-0.7 1,-0.2 -3,-0.2 0.769 60.8 159.4 68.7 28.9 21.2 -7.8 10.7 105 106 A I < - 0 0 22 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.2 -0.750 24.4-158.0 -86.0 116.4 24.7 -7.7 9.4 106 107 A S > - 0 0 53 -2,-0.7 4,-2.2 39,-0.1 3,-0.4 -0.488 30.9-107.7 -88.8 163.8 25.5 -11.1 7.8 107 108 A A H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.851 121.6 57.5 -59.9 -33.9 29.1 -12.4 7.3 108 109 A A H 4 S+ 0 0 81 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.891 107.9 47.4 -63.1 -39.0 28.7 -11.7 3.6 109 110 A E H >4 S+ 0 0 51 -3,-0.4 3,-1.3 1,-0.2 -2,-0.2 0.906 108.5 53.4 -67.4 -45.3 27.9 -8.1 4.4 110 111 A F H >< S+ 0 0 32 -4,-2.2 3,-1.9 1,-0.3 4,-0.2 0.843 97.1 66.8 -60.8 -35.8 30.8 -7.6 6.7 111 112 A G G >< S+ 0 0 19 -4,-1.8 3,-1.6 1,-0.3 4,-0.3 0.714 81.7 77.3 -59.7 -21.8 33.3 -8.9 4.1 112 113 A K G X S+ 0 0 65 -3,-1.3 3,-0.5 -4,-0.4 -1,-0.3 0.592 79.0 73.4 -65.3 -9.9 32.6 -5.9 2.0 113 114 A I G <> S+ 0 0 29 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.747 77.3 76.1 -76.4 -22.8 34.9 -3.9 4.3 114 115 A N H <> S+ 0 0 50 -3,-1.6 4,-2.2 -4,-0.2 -1,-0.2 0.827 90.4 56.6 -56.4 -35.3 38.0 -5.6 2.9 115 116 A G H <> S+ 0 0 32 -3,-0.5 4,-1.7 -4,-0.3 -1,-0.2 0.981 109.5 42.3 -61.8 -58.9 37.8 -3.4 -0.2 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.927 114.2 51.5 -53.7 -50.6 37.9 -0.1 1.7 117 118 A I H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.3 5,-0.2 0.936 108.3 52.4 -51.8 -50.6 40.6 -1.2 4.1 118 119 A K H X S+ 0 0 88 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.837 111.4 47.2 -56.2 -35.7 42.7 -2.3 1.1 119 120 A K H X S+ 0 0 110 -4,-1.7 4,-1.6 -3,-0.4 -1,-0.2 0.859 110.7 49.7 -76.8 -36.4 42.3 1.1 -0.4 120 121 A V H < S+ 0 0 11 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.909 111.9 49.6 -68.2 -40.1 43.1 3.0 2.7 121 122 A L H ><>S+ 0 0 1 -4,-2.7 3,-2.2 -5,-0.2 5,-1.9 0.955 108.7 52.4 -61.0 -50.8 46.3 0.9 3.2 122 123 A A H ><5S+ 0 0 60 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.841 101.6 59.5 -55.5 -36.8 47.4 1.5 -0.4 123 124 A S T 3<5S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.651 107.5 48.9 -68.6 -11.1 47.0 5.2 0.1 124 125 A K T < 5S- 0 0 78 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.012 127.9 -98.7-113.5 23.6 49.6 4.8 2.9 125 126 A N T < 5S+ 0 0 162 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.736 79.3 137.2 66.8 26.2 52.0 2.7 0.7 126 127 A F < - 0 0 26 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.920 37.0-157.5-106.8 119.9 50.9 -0.6 2.1 127 128 A G >> - 0 0 44 -2,-0.6 4,-1.9 -3,-0.1 3,-0.8 0.085 37.8 -66.9 -83.7-165.7 50.4 -3.3 -0.5 128 129 A D H 3> S+ 0 0 96 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.830 124.0 62.9 -51.2 -44.1 48.6 -6.6 -1.0 129 130 A K H 3> S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 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96.4 60.2 -60.6 -28.3 37.5 -13.4 8.7 140 141 A V H << S+ 0 0 0 -3,-1.1 4,-0.4 -4,-1.0 -1,-0.2 0.941 106.5 45.7 -64.6 -45.9 37.7 -14.0 12.4 141 142 A V H >< S+ 0 0 3 -4,-1.0 3,-1.3 -3,-0.3 4,-0.5 0.894 109.9 55.5 -63.7 -39.1 34.8 -11.5 12.9 142 143 A Q H >< S+ 0 0 51 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.882 100.6 57.2 -61.7 -39.4 32.9 -13.2 10.0 143 144 A A T 3< S+ 0 0 51 -4,-2.1 -141,-0.4 1,-0.3 -1,-0.3 0.625 107.1 52.1 -67.5 -10.2 33.1 -16.6 11.7 144 145 A A T < 0 0 26 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.519 360.0 360.0-101.3 -9.0 31.4 -15.0 14.6 145 146 A L < 0 0 65 -3,-1.3 -39,-0.1 -4,-0.5 -47,-0.1 -0.353 360.0 360.0 -87.3 360.0 28.5 -13.5 12.6 146 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 147 2 B S > 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.5 24.8 20.6 27.8 148 3 B V H > + 0 0 12 141,-0.3 4,-3.0 1,-0.2 5,-0.2 0.880 360.0 51.2 -58.2 -40.7 27.5 18.1 26.9 149 4 B Y H > S+ 0 0 93 2,-0.2 4,-4.0 1,-0.2 -1,-0.2 0.932 109.4 49.3 -63.5 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35.2 160 15 B K H X S+ 0 0 47 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 108.5 51.1 -62.6 -39.8 43.1 16.6 31.8 161 16 B K H X S+ 0 0 112 -4,-1.1 4,-2.9 -5,-0.2 -2,-0.2 0.926 110.7 46.1 -64.4 -47.0 46.6 16.0 33.3 162 17 B D H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.893 112.4 51.9 -64.2 -39.0 45.3 14.0 36.3 163 18 B L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.938 114.1 42.9 -61.7 -47.2 43.0 12.0 33.9 164 19 B R H X S+ 0 0 69 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.923 113.2 50.7 -66.1 -46.3 46.0 11.2 31.6 165 20 B D H X S+ 0 0 44 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.953 114.5 43.7 -57.7 -51.2 48.5 10.4 34.4 166 21 B S H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.8 0.865 110.9 55.0 -63.3 -36.3 46.1 8.0 36.1 167 22 B W H 3X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 5,-0.3 0.807 93.3 69.4 -68.7 -28.3 45.1 6.4 32.8 168 23 B K H 3< S+ 0 0 137 -4,-1.8 -1,-0.2 -3,-0.4 4,-0.2 0.865 114.3 29.7 -55.6 -33.4 48.7 5.6 32.0 169 24 B V H XX S+ 0 0 55 -3,-0.8 3,-1.2 -4,-0.7 4,-0.5 0.939 124.5 39.4 -90.9 -64.2 48.4 3.1 34.9 170 25 B I H 3< S+ 0 0 11 -4,-2.2 -3,-0.2 1,-0.3 7,-0.2 0.660 118.9 52.2 -64.5 -13.3 44.9 1.8 35.2 171 26 B G T >< S+ 0 0 3 -4,-1.8 3,-0.5 -5,-0.3 -1,-0.3 0.628 91.4 72.4 -96.0 -15.4 44.7 1.8 31.4 172 27 B S T <4 S+ 0 0 97 -3,-1.2 2,-0.2 1,-0.3 -2,-0.2 0.678 104.8 41.1 -73.0 -16.1 47.9 -0.3 30.9 173 28 B D T 3X + 0 0 78 -4,-0.5 4,-2.3 1,-0.1 5,-0.4 -0.637 69.0 163.4-131.6 75.0 46.1 -3.4 32.1 174 29 B K H <> S+ 0 0 31 -3,-0.5 4,-1.9 -2,-0.2 5,-0.3 0.846 72.7 51.8 -62.5 -39.8 42.6 -3.2 30.6 175 30 B K H > S+ 0 0 65 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.974 115.8 39.6 -63.6 -54.1 41.6 -6.8 31.2 176 31 B G H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.962 122.0 39.0 -60.3 -57.4 42.5 -6.8 34.9 177 32 B N H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 114.1 54.7 -63.8 -39.0 41.2 -3.3 35.8 178 33 B G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.4 -1,-0.2 0.900 110.1 45.5 -62.7 -42.2 38.1 -3.5 33.6 179 34 B V H X S+ 0 0 9 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.881 111.3 55.5 -67.4 -35.7 37.0 -6.7 35.2 180 35 B A H X S+ 0 0 31 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.883 106.2 50.7 -62.9 -40.4 37.8 -5.1 38.6 181 36 B L H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.962 114.3 43.2 -61.5 -52.3 35.5 -2.2 37.7 182 37 B M H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 114.1 48.5 -60.2 -50.7 32.6 -4.5 36.8 183 38 B T H X S+ 0 0 51 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.888 113.8 47.5 -60.0 -40.4 32.9 -6.9 39.7 184 39 B T H X S+ 0 0 31 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.902 108.8 54.8 -67.4 -40.8 33.2 -4.0 42.2 185 40 B L H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 7,-0.2 0.879 111.4 45.4 -58.9 -38.8 30.1 -2.4 40.6 186 41 B F H < S+ 0 0 13 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.811 112.9 50.4 -74.2 -32.4 28.2 -5.6 41.1 187 42 B A H < S+ 0 0 63 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.888 120.3 33.6 -73.8 -40.1 29.4 -6.0 44.7 188 43 B D H < S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.749 129.9 33.6 -87.7 -27.1 28.5 -2.5 45.8 189 44 B N >< + 0 0 33 -4,-1.9 3,-2.6 -5,-0.3 4,-0.2 -0.537 63.0 167.5-130.5 68.3 25.4 -2.0 43.6 190 45 B Q G > S+ 0 0 122 -3,-0.4 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-1,-0.3 -0.499 64.3 4.2 75.3-138.4 25.6 -14.8 31.8 201 56 B D > - 0 0 92 -2,-0.2 3,-1.5 1,-0.2 4,-0.2 -0.717 59.7-175.2 -89.2 98.5 26.9 -15.5 35.2 202 57 B V G > S+ 0 0 19 -2,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.606 76.5 74.6 -67.7 -12.3 28.9 -12.4 36.4 203 58 B S G 3 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.799 80.4 73.7 -70.6 -25.2 30.0 -14.2 39.6 204 59 B Q G X S- 0 0 111 -3,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.734 81.3-177.2 -58.2 -23.2 32.4 -16.2 37.4 205 60 B G G X + 0 0 12 -3,-1.1 3,-2.3 1,-0.3 7,-0.3 -0.281 64.8 4.0 59.3-141.5 34.5 -13.0 37.1 206 61 B M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.746 129.1 64.7 -44.6 -29.6 37.6 -13.3 34.9 207 62 B A G < S+ 0 0 72 -3,-1.6 2,-0.6 -4,-0.1 -1,-0.3 0.805 81.0 86.6 -68.6 -31.5 36.5 -16.8 34.0 208 63 B N <> - 0 0 19 -3,-2.3 4,-2.6 1,-0.2 5,-0.1 -0.628 65.7-159.7 -74.0 115.9 33.3 -15.6 32.3 209 64 B D H > S+ 0 0 76 -2,-0.6 4,-2.9 2,-0.2 5,-0.2 0.835 90.8 52.8 -64.7 -36.0 34.3 -14.9 28.6 210 65 B K H > S+ 0 0 85 -11,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 112.7 43.7 -66.8 -43.0 31.3 -12.6 28.1 211 66 B L H > S+ 0 0 0 -12,-0.4 4,-2.6 -6,-0.2 -2,-0.2 0.910 115.7 49.3 -68.4 -41.0 32.1 -10.6 31.2 212 67 B R H X S+ 0 0 20 -4,-2.6 4,-2.3 -7,-0.3 5,-0.2 0.936 112.2 46.0 -64.1 -47.9 35.8 -10.5 30.2 213 68 B G H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.857 114.7 49.2 -63.9 -34.7 35.2 -9.4 26.6 214 69 B H H X S+ 0 0 58 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.914 110.6 49.7 -69.8 -43.0 32.7 -6.8 27.9 215 70 B S H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.872 111.1 49.0 -63.1 -40.2 35.2 -5.5 30.5 216 71 B I H X S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 3,-0.2 0.917 111.8 49.2 -65.6 -43.9 38.0 -5.2 28.0 217 72 B T H >X S+ 0 0 58 -4,-1.8 4,-0.9 1,-0.2 3,-0.8 0.877 104.9 58.5 -63.2 -39.5 35.8 -3.4 25.5 218 73 B L H >X S+ 0 0 42 -4,-2.2 4,-1.3 1,-0.3 3,-0.6 0.864 101.2 56.7 -58.7 -37.5 34.6 -0.9 28.2 219 74 B M H 3X S+ 0 0 2 -4,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.764 102.3 54.6 -66.8 -26.9 38.2 0.1 28.8 220 75 B Y H < S+ 0 0 8 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.895 106.7 52.0 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