==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 24-APR-06 2GRF . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,R.PAHL,V.SRAJER,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13738.0 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 0 2 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 85 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 168.0 13.8 -11.7 24.2 2 3 A V H > + 0 0 10 141,-0.3 4,-2.3 1,-0.2 5,-0.2 0.844 360.0 57.3 -65.8 -32.5 11.9 -8.5 24.6 3 4 A Y H > S+ 0 0 139 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.822 108.9 45.1 -68.3 -31.1 8.9 -10.5 25.9 4 5 A D H 4 S+ 0 0 104 -3,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.824 112.7 51.2 -79.9 -33.1 11.0 -11.9 28.7 5 6 A A H >< S+ 0 0 16 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.862 104.7 56.6 -70.8 -37.2 12.5 -8.6 29.5 6 7 A A H >< S+ 0 0 13 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.817 98.5 61.7 -63.9 -31.1 9.1 -6.9 29.7 7 8 A A T 3< S+ 0 0 73 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.606 88.9 72.5 -71.1 -11.3 8.1 -9.5 32.4 8 9 A Q T < S+ 0 0 102 -3,-1.4 2,-1.9 -4,-0.2 -1,-0.3 0.638 70.5 95.5 -77.8 -15.3 10.9 -8.1 34.5 9 10 A L < - 0 0 17 -3,-1.4 -1,-0.1 -4,-0.2 -3,-0.0 -0.565 65.7-173.5 -79.1 82.3 8.9 -5.0 35.2 10 11 A T > - 0 0 75 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.090 39.3 -89.2 -70.8 174.3 7.3 -6.1 38.5 11 12 A A H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.921 126.6 40.0 -50.5 -56.3 4.7 -4.2 40.4 12 13 A D H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.829 111.3 57.7 -67.1 -32.8 7.0 -2.1 42.5 13 14 A V H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 109.1 45.7 -63.7 -41.7 9.4 -1.5 39.6 14 15 A K H X S+ 0 0 56 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.881 112.2 52.3 -67.6 -37.7 6.5 0.0 37.6 15 16 A K H X S+ 0 0 106 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.928 109.3 48.2 -63.8 -46.1 5.5 2.1 40.6 16 17 A D H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.833 109.1 54.7 -64.3 -31.9 9.0 3.5 41.1 17 18 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.909 111.7 44.3 -67.4 -40.9 9.1 4.3 37.4 18 19 A R H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.950 112.1 50.2 -68.2 -51.4 5.8 6.3 37.7 19 20 A D H X S+ 0 0 56 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.879 116.6 42.0 -55.9 -41.5 6.7 8.2 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 3,-0.9 0.892 112.3 52.8 -74.5 -40.3 10.1 9.3 39.5 21 22 A W H 3X S+ 0 0 16 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.813 96.8 69.0 -64.8 -29.0 8.7 10.1 36.1 22 23 A K H 3< S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.4 30.9 -57.0 -35.5 6.1 12.3 37.7 23 24 A V H X< S+ 0 0 62 -3,-0.9 3,-0.9 -4,-0.6 4,-0.4 0.904 124.3 44.1 -88.2 -50.1 8.9 14.7 38.7 24 25 A I H >< S+ 0 0 11 -4,-2.6 3,-1.1 1,-0.2 7,-0.2 0.900 112.1 52.6 -63.0 -43.7 11.3 14.1 35.8 25 26 A G G >< S+ 0 0 8 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.574 90.4 80.2 -71.0 -8.1 8.6 14.3 33.1 26 27 A S G < S+ 0 0 96 -3,-0.9 2,-0.4 1,-0.3 -1,-0.2 0.820 102.9 32.4 -67.1 -32.2 7.4 17.6 34.6 27 28 A D G <> + 0 0 76 -3,-1.1 4,-2.5 -4,-0.4 5,-0.4 -0.705 68.1 165.4-128.4 79.6 10.2 19.4 32.8 28 29 A K H <> S+ 0 0 34 -3,-0.5 4,-1.5 -2,-0.4 5,-0.2 0.852 77.6 48.7 -62.6 -38.7 10.9 17.6 29.5 29 30 A K H > S+ 0 0 67 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.957 117.8 38.2 -68.7 -51.1 12.9 20.4 28.0 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.954 124.8 37.8 -65.1 -52.1 15.2 21.0 31.0 31 32 A N H X S+ 0 0 12 -4,-2.5 4,-1.8 -7,-0.2 -1,-0.2 0.788 115.0 56.4 -70.7 -29.1 15.6 17.4 32.0 32 33 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.4 -1,-0.2 0.934 109.9 43.4 -68.2 -46.0 15.8 16.2 28.4 33 34 A V H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.878 113.0 52.6 -66.6 -38.7 18.7 18.5 27.5 34 35 A A H X S+ 0 0 35 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.875 109.8 50.4 -64.3 -37.0 20.5 17.7 30.7 35 36 A L H X S+ 0 0 8 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.943 114.2 41.8 -66.1 -50.3 20.1 14.0 29.9 36 37 A V H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.882 115.0 50.4 -66.1 -40.5 21.5 14.3 26.3 37 38 A T H X S+ 0 0 49 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.873 108.4 53.0 -65.8 -38.0 24.3 16.7 27.4 38 39 A T H X S+ 0 0 31 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.815 106.0 55.1 -67.3 -30.0 25.3 14.3 30.2 39 40 A L H X S+ 0 0 21 -4,-1.2 4,-2.0 1,-0.2 7,-0.2 0.918 109.4 45.2 -68.7 -44.1 25.5 11.5 27.6 40 41 A F H < S+ 0 0 4 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.782 115.3 48.8 -70.1 -27.4 27.9 13.4 25.4 41 42 A A H < S+ 0 0 64 -4,-1.6 3,-0.4 -5,-0.1 -2,-0.2 0.889 118.5 36.8 -79.5 -40.8 30.0 14.5 28.4 42 43 A D H < S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.710 132.3 29.0 -83.8 -21.9 30.3 11.0 29.9 43 44 A N >< + 0 0 33 -4,-2.0 3,-2.4 -5,-0.2 4,-0.3 -0.549 62.5 170.0-139.9 72.0 30.6 9.2 26.6 44 45 A Q G > S+ 0 0 127 -3,-0.4 3,-1.4 1,-0.3 4,-0.3 0.726 74.0 73.8 -53.3 -24.8 32.2 11.6 24.0 45 46 A E G > S+ 0 0 102 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.727 88.2 60.3 -64.6 -21.8 32.4 8.5 21.7 46 47 A T G X S+ 0 0 5 -3,-2.4 3,-1.5 -7,-0.2 4,-0.4 0.618 80.4 84.1 -81.8 -13.5 28.6 8.7 21.1 47 48 A I G X S+ 0 0 50 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.2 0.797 76.1 72.2 -59.5 -27.9 28.8 12.2 19.6 48 49 A G G X S+ 0 0 40 -3,-0.6 3,-0.8 -4,-0.3 -1,-0.3 0.790 90.8 57.3 -58.5 -29.3 29.7 10.7 16.3 49 50 A Y G < S+ 0 0 107 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.686 103.2 55.4 -74.9 -19.3 26.1 9.4 15.9 50 51 A F G X + 0 0 44 -3,-1.5 3,-1.3 -4,-0.4 4,-0.5 -0.111 60.5 133.1-107.7 36.2 24.7 13.0 16.2 51 52 A K G X + 0 0 181 -3,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.848 69.8 62.2 -52.6 -36.9 26.7 14.8 13.4 52 53 A R G 3 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.805 91.4 65.4 -61.1 -32.7 23.4 16.4 12.3 53 54 A L G < S- 0 0 7 -3,-1.3 12,-0.4 1,-0.2 -1,-0.3 0.666 91.8-156.0 -66.4 -17.4 22.9 18.2 15.6 54 55 A G < + 0 0 49 -3,-1.4 2,-1.4 -4,-0.5 -1,-0.2 -0.524 61.7 16.5 80.1-143.7 26.0 20.3 15.0 55 56 A D > - 0 0 87 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.530 66.1-176.2 -70.7 94.1 27.9 21.9 17.9 56 57 A V G > S+ 0 0 19 -2,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.652 72.2 73.4 -66.8 -17.6 26.5 19.9 20.7 57 58 A S G 3 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.632 79.1 75.1 -73.8 -12.7 28.4 21.9 23.3 58 59 A Q G X S- 0 0 106 -3,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.696 78.2-179.7 -71.6 -18.4 26.0 24.8 22.8 59 60 A G G X + 0 0 12 -3,-1.2 3,-2.4 1,-0.3 7,-0.3 -0.276 63.8 10.7 58.3-132.0 23.4 23.0 24.8 60 61 A M G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.760 125.9 63.0 -49.6 -30.7 20.0 24.7 25.1 61 62 A A G < S+ 0 0 70 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.746 83.5 88.1 -69.3 -24.5 21.2 27.3 22.6 62 63 A N <> - 0 0 21 -3,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.687 65.4-160.5 -80.7 109.9 21.4 24.6 19.9 63 64 A D H > S+ 0 0 81 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.876 89.8 48.5 -57.3 -43.4 17.9 24.4 18.3 64 65 A K H > S+ 0 0 96 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 112.7 48.0 -65.6 -42.0 18.5 21.0 16.8 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.891 113.1 48.6 -65.4 -39.1 19.8 19.6 20.1 66 67 A R H X S+ 0 0 18 -4,-2.5 4,-2.1 -7,-0.3 5,-0.2 0.888 110.2 51.4 -68.4 -39.2 16.9 21.1 22.0 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.898 112.9 45.5 -64.3 -40.3 14.4 19.7 19.5 68 69 A H H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 111.4 52.2 -68.6 -43.8 15.9 16.2 19.8 69 70 A S H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.886 111.3 45.8 -61.2 -43.1 16.1 16.4 23.7 70 71 A I H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.4 0.948 113.2 49.7 -65.8 -48.5 12.4 17.3 24.0 71 72 A T H >X S+ 0 0 44 -4,-1.8 3,-0.9 1,-0.2 4,-0.6 0.870 104.8 59.2 -57.9 -39.8 11.3 14.7 21.5 72 73 A L H >X S+ 0 0 45 -4,-2.3 3,-1.2 1,-0.3 4,-1.2 0.891 100.0 56.6 -57.3 -41.4 13.3 12.0 23.4 73 74 A M H 3X S+ 0 0 2 -4,-1.3 4,-1.5 -3,-0.4 -1,-0.3 0.746 100.2 58.5 -63.9 -25.3 11.3 12.7 26.6 74 75 A Y H < S+ 0 0 7 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.936 110.9 51.0 -56.3 -49.7 6.8 3.8 27.6 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.857 108.3 52.7 -57.4 -37.3 5.6 4.9 31.0 81 82 A D H 3< S+ 0 0 62 -4,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.719 107.2 52.6 -72.2 -21.1 2.0 5.2 29.7 82 83 A Q T X< S+ 0 0 19 -4,-1.2 3,-0.7 -3,-1.0 7,-0.6 0.356 76.1 102.2 -95.7 4.4 2.1 1.6 28.3 83 84 A L T < S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.773 75.5 60.3 -59.5 -26.4 3.2 0.0 31.6 84 85 A D T 3 S+ 0 0 120 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.871 106.9 45.6 -70.0 -37.0 -0.3 -1.2 32.2 85 86 A N X> - 0 0 56 -3,-0.7 4,-2.5 1,-0.1 3,-0.5 -0.894 64.0-166.6-114.5 105.5 -0.5 -3.4 29.1 86 87 A P H 3> S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.846 90.6 57.2 -55.3 -36.7 2.6 -5.5 28.4 87 88 A D H 3> S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.889 110.6 42.6 -63.6 -39.9 1.4 -6.2 24.8 88 89 A D H <> S+ 0 0 8 -3,-0.5 4,-2.0 2,-0.2 5,-0.2 0.894 110.7 55.4 -73.7 -40.4 1.3 -2.5 24.1 89 90 A L H X S+ 0 0 5 -4,-2.5 4,-2.0 -7,-0.6 -2,-0.2 0.921 110.0 47.9 -56.9 -44.8 4.6 -1.7 25.8 90 91 A V H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.923 110.6 47.9 -63.6 -48.7 6.3 -4.3 23.6 91 92 A C H X S+ 0 0 7 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.816 114.1 49.4 -64.5 -28.4 4.8 -3.2 20.2 92 93 A V H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.838 111.1 49.2 -77.4 -34.4 5.8 0.4 21.2 93 94 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.922 111.7 47.3 -70.6 -44.5 9.3 -0.7 22.1 94 95 A E H X S+ 0 0 65 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.889 111.9 51.5 -63.7 -38.6 9.9 -2.7 18.9 95 96 A K H X S+ 0 0 46 -4,-1.4 4,-0.5 -5,-0.3 3,-0.4 0.922 111.0 48.3 -62.0 -44.4 8.5 0.3 16.9 96 97 A F H X S+ 0 0 46 -4,-1.9 4,-0.7 1,-0.2 3,-0.3 0.836 107.3 56.8 -64.7 -34.6 11.0 2.6 18.7 97 98 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.779 86.4 80.2 -70.1 -29.0 13.8 0.2 18.0 98 99 A V H X S+ 0 0 33 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.905 97.5 39.3 -44.6 -58.5 13.4 0.2 14.2 99 100 A N H X S+ 0 0 50 -4,-0.5 4,-1.3 -3,-0.3 -1,-0.2 0.813 115.2 52.2 -66.4 -31.8 15.2 3.5 13.7 100 101 A H H <>S+ 0 0 48 -4,-0.7 5,-2.7 2,-0.2 -1,-0.2 0.827 108.5 51.6 -74.0 -29.4 17.9 2.9 16.3 101 102 A I H ><5S+ 0 0 81 -4,-2.6 3,-1.8 3,-0.2 -2,-0.2 0.899 106.6 54.1 -70.5 -40.1 18.6 -0.5 14.6 102 103 A T H 3<5S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.832 105.7 52.7 -62.1 -33.3 19.0 1.3 11.3 103 104 A R T 3<5S- 0 0 108 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.340 117.9-117.1 -83.8 6.7 21.6 3.6 12.8 104 105 A K T < 5 + 0 0 163 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.842 54.5 165.2 59.3 38.4 23.4 0.5 14.0 105 106 A I < - 0 0 19 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.777 24.4-149.5 -86.9 113.1 22.9 1.4 17.6 106 107 A S > - 0 0 54 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.237 24.6-108.0 -79.1 169.1 23.8 -1.7 19.6 107 108 A A H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.874 122.5 49.6 -63.3 -38.6 22.3 -2.8 23.0 108 109 A A H 4 S+ 0 0 79 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.859 111.0 50.2 -68.3 -35.9 25.6 -2.0 24.7 109 110 A E H >4 S+ 0 0 38 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.924 111.0 47.8 -67.3 -46.1 25.7 1.4 23.0 110 111 A F H >< S+ 0 0 37 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.846 100.0 68.5 -63.5 -35.3 22.1 2.2 24.1 111 112 A G G >< S+ 0 0 16 -4,-1.8 3,-1.2 1,-0.3 4,-0.3 0.570 78.7 80.7 -62.9 -8.5 22.9 1.1 27.6 112 113 A K G < S+ 0 0 53 -3,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.596 76.5 72.5 -74.2 -9.6 25.2 4.1 28.0 113 114 A I G <> S+ 0 0 26 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.678 78.4 77.5 -77.5 -17.2 22.1 6.2 28.7 114 115 A N H <> S+ 0 0 46 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.875 90.5 53.3 -59.3 -40.1 21.8 4.5 32.1 115 116 A G H > S+ 0 0 34 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.975 110.8 44.4 -60.0 -57.2 24.6 6.7 33.5 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.851 114.0 51.7 -55.2 -38.2 23.0 10.0 32.4 117 118 A I H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 107.5 51.5 -66.9 -42.8 19.6 8.8 33.7 118 119 A K H X S+ 0 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K H > S+ 0 0 89 -11,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 114.8 44.9 -66.6 -42.5 3.2 -3.2 14.2 211 66 B L H > S+ 0 0 0 -12,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.887 115.0 48.6 -69.3 -37.5 0.3 -1.0 13.1 212 67 B R H X S+ 0 0 19 -4,-3.0 4,-2.3 -7,-0.2 5,-0.2 0.916 110.6 51.4 -67.7 -41.7 -0.9 -0.6 16.7 213 68 B G H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.871 112.9 45.0 -61.9 -38.9 2.7 0.2 17.8 214 69 B H H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 111.2 52.8 -70.0 -46.7 3.0 2.9 15.1 215 70 B S H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.897 110.6 46.4 -56.4 -46.5 -0.5 4.4 15.7 216 71 B I H >X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.942 112.9 49.5 -62.5 -48.6 0.2 4.9 19.5 217 72 B T H >X S+ 0 0 43 -4,-1.7 3,-0.8 1,-0.2 4,-0.5 0.837 103.4 61.4 -59.9 -35.4 3.6 6.4 18.8 218 73 B L H >X S+ 0 0 47 -4,-2.3 3,-1.3 1,-0.2 4,-1.2 0.885 98.3 57.5 -59.3 -40.2 2.1 8.8 16.3 219 74 B M H < S+ 0 0 6 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.916 111.2 52.3 -59.5 -46.6 3.3 19.7 19.3 226 81 B I H >< S+ 0 0 7 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.887 108.2 51.7 -58.7 -40.5 0.3 20.5 21.5 227 82 B D H 3< S+ 0 0 73 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.754 109.4 50.1 -69.0 -25.1 2.5 21.0 24.5 228 83 B Q T X< S+ 0 0 22 -4,-1.2 3,-1.6 -3,-0.6 7,-0.5 0.334 76.9 108.0 -96.0 7.3 4.8 23.4 22.7 229 84 B L T < S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.787 75.2 52.8 -55.6 -33.3 2.1 25.6 21.4 230 85 B D T 3 S+ 0 0 106 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.537 105.1 57.1 -84.1 -4.9 2.9 28.6 23.7 231 86 B N X> - 0 0 58 -3,-1.6 4,-2.3 1,-0.1 3,-0.9 -0.785 63.9-168.7-128.6 90.1 6.5 28.8 22.7 232 87 B P H 3> S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.793 87.1 57.7 -43.7 -38.3 7.0 29.3 19.0 233 88 B D H 3> S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 110.4 40.8 -63.6 -44.9 10.8 28.6 19.3 234 89 B D H <> S+ 0 0 8 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.876 113.4 54.2 -71.1 -37.8 10.3 25.1 20.8 235 90 B L H X S+ 0 0 2 -4,-2.3 4,-2.0 -7,-0.5 -2,-0.2 0.924 110.1 48.1 -61.0 -44.4 7.4 24.3 18.5 236 91 B V H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.920 112.1 46.6 -63.5 -46.6 9.6 25.1 15.5 237 92 B C H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.844 114.3 49.0 -66.7 -32.3 12.6 23.0 16.6 238 93 B V H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.844 111.4 49.0 -74.6 -34.7 10.3 20.1 17.5 239 94 B V H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.892 112.2 47.5 -71.5 -40.5 8.6 20.3 14.1 240 95 B E H X S+ 0 0 91 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.877 111.2 51.4 -67.8 -37.7 11.8 20.4 12.2 241 96 B K H X S+ 0 0 42 -4,-1.6 4,-0.5 -5,-0.2 3,-0.4 0.906 111.0 49.7 -63.2 -41.5 13.2 17.5 14.2 242 97 B F H X S+ 0 0 45 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.847 106.0 55.9 -65.4 -37.3 10.0 15.6 13.3 243 98 B A H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.734 86.6 81.7 -70.3 -24.6 10.3 16.3 9.6 244 99 B V H X S+ 0 0 38 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.2 0.916 97.0 38.5 -48.0 -56.4 13.8 14.8 9.3 245 100 B N H X S+ 0 0 49 -4,-0.5 4,-1.2 -3,-0.4 -1,-0.2 0.813 116.4 51.9 -68.5 -30.5 12.7 11.2 9.0 246 101 B H H <>S+ 0 0 42 -4,-0.7 5,-2.2 2,-0.2 -1,-0.2 0.817 107.8 52.0 -75.5 -28.9 9.7 12.0 6.9 247 102 B I H ><5S+ 0 0 83 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.896 107.5 53.0 -70.4 -39.6 11.8 14.0 4.5 248 103 B T H 3<5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.834 104.1 56.1 -63.1 -33.1 14.1 11.0 4.2 249 104 B R T 3<5S- 0 0 90 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.427 116.6-118.4 -79.6 1.8 11.1 8.9 3.3 250 105 B K T < 5 + 0 0 173 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.873 55.5 161.7 63.1 40.5 10.4 11.3 0.5 251 106 B I < - 0 0 22 -5,-2.2 -1,-0.2 4,-0.0 -2,-0.1 -0.820 26.8-149.7 -96.4 103.7 7.1 12.3 1.9 252 107 B S > - 0 0 57 -2,-0.9 4,-2.4 39,-0.1 5,-0.2 -0.135 25.9-107.8 -66.9 166.4 6.1 15.6 0.2 253 108 B A H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.849 121.6 52.6 -63.9 -35.2 4.0 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 0.922 109.5 48.2 -66.2 -44.5 1.1 17.4 -0.4 255 110 B E H >4 S+ 0 0 39 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.906 111.6 50.2 -62.0 -43.5 1.3 13.7 0.5 256 111 B F H >< S+ 0 0 37 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.862 98.8 67.4 -63.8 -36.9 1.4 14.6 4.2 257 112 B G G >< S+ 0 0 14 -4,-1.9 3,-1.8 1,-0.3 4,-0.3 0.620 77.8 82.3 -60.8 -13.0 -1.6 16.8 3.9 258 113 B K G < S+ 0 0 52 -3,-1.3 3,-0.4 -4,-0.4 -1,-0.3 0.604 76.2 73.2 -68.1 -9.6 -3.7 13.7 3.2 259 114 B I G <> S+ 0 0 28 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.610 77.8 78.5 -79.2 -11.8 -3.9 13.2 6.9 260 115 B N H <> S+ 0 0 49 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.896 89.5 52.3 -63.3 -42.9 -6.3 16.2 7.1 261 116 B G H > S+ 0 0 38 -3,-0.4 4,-2.2 -4,-0.3 5,-0.2 0.964 110.7 46.1 -59.0 -55.4 -9.3 14.1 6.0 262 117 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.889 112.6 51.6 -54.9 -41.8 -8.7 11.4 8.6 263 118 B I H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.926 108.3 51.2 -62.3 -44.4 -8.2 14.0 11.3 264 119 B K H X S+ 0 0 107 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.893 112.7 46.4 -60.0 -40.3 -11.5 15.7 10.3 265 120 B K H X S+ 0 0 117 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.901 111.8 49.3 -70.0 -42.3 -13.3 12.4 10.5 266 121 B V H X S+ 0 0 7 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.907 112.3 49.0 -64.2 -40.6 -11.8 11.4 13.9 267 122 B L H ><>S+ 0 0 4 -4,-2.6 5,-2.3 1,-0.2 3,-1.0 0.914 110.0 52.1 -63.8 -42.0 -12.7 14.8 15.3 268 123 B A H ><5S+ 0 0 55 -4,-2.0 3,-1.4 3,-0.3 -1,-0.2 0.811 100.2 61.6 -64.1 -32.1 -16.2 14.5 14.0 269 124 B S H 3<5S+ 0 0 80 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.741 108.7 43.5 -67.6 -21.3 -16.7 11.1 15.6 270 125 B K T <<5S- 0 0 77 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.284 128.1-103.0-103.3 7.1 -16.1 12.8 19.0 271 126 B N T < 5S+ 0 0 150 -3,-1.4 2,-0.7 1,-0.2 -3,-0.3 0.827 70.7 145.9 75.9 37.6 -18.4 15.7 17.8 272 127 B F < - 0 0 27 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.917 37.3-145.8-107.2 110.4 -15.9 18.3 17.0 273 128 B G >> - 0 0 45 -2,-0.7 4,-1.5 3,-0.1 3,-1.1 0.229 36.0 -75.4 -64.4-172.3 -17.1 20.4 14.0 274 129 B D H 3> S+ 0 0 96 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.769 123.6 71.3 -57.1 -29.5 -15.3 22.1 11.1 275 130 B K H 3> S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.918 106.0 37.4 -54.2 -45.0 -14.2 24.8 13.5 276 131 B Y H <> S+ 0 0 49 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.811 112.0 58.6 -77.0 -32.6 -11.8 22.3 15.1 277 132 B A H X S+ 0 0 14 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.883 107.0 48.2 -64.6 -38.5 -10.9 20.6 11.8 278 133 B N H X S+ 0 0 97 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.860 107.8 55.3 -69.8 -36.4 -9.7 23.9 10.4 279 134 B A H X S+ 0 0 4 -4,-1.1 4,-1.1 -5,-0.3 3,-0.4 0.932 111.0 44.4 -61.5 -46.1 -7.6 24.5 13.6 280 135 B W H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.813 105.7 61.0 -68.4 -31.5 -5.9 21.2 13.1 281 136 B A H X S+ 0 0 32 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.820 103.7 52.5 -64.4 -29.3 -5.4 21.8 9.4 282 137 B K H X S+ 0 0 74 -4,-1.2 4,-0.9 -3,-0.4 -1,-0.2 0.835 107.6 49.6 -74.6 -34.9 -3.3 24.9 10.4 283 138 B L H >X S+ 0 0 5 -4,-1.1 4,-1.2 2,-0.2 3,-0.9 0.929 110.6 49.7 -68.9 -45.0 -1.1 22.8 12.7 284 139 B V H 3X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.838 104.2 61.4 -60.6 -32.2 -0.5 20.3 9.9 285 140 B A H 3X S+ 0 0 37 -4,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.804 98.1 56.7 -64.4 -30.3 0.3 23.3 7.7 286 141 B V H << S+ 0 0 0 -3,-0.9 4,-0.3 -4,-0.9 -1,-0.2 0.895 110.2 44.0 -67.7 -40.0 3.2 24.1 10.1 287 142 B V H >X S+ 0 0 4 -4,-1.2 3,-1.4 1,-0.2 4,-0.5 0.882 109.3 56.5 -71.2 -39.7 4.6 20.6 9.5 288 143 B Q H >< S+ 0 0 50 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.842 99.7 60.6 -60.6 -33.6 4.0 20.8 5.7 289 144 B A T 3< S+ 0 0 33 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.685 103.1 52.0 -67.7 -18.0 6.1 24.0 5.7 290 145 B A T <4 0 0 19 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.535 360.0 360.0 -95.2 -9.1 9.0 21.9 7.0 291 146 B L << 0 0 66 -3,-1.0 -39,-0.1 -4,-0.5 -47,-0.1 -0.394 360.0 360.0 -94.9 360.0 8.7 19.2 4.3