==== 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 3UHN . 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) . 13788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 87.2 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 . 68 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 58.3 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 1 2 0 1 1 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 89 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 157.7 13.9 -11.8 24.2 2 3 A V H > + 0 0 10 141,-0.4 4,-1.9 1,-0.2 5,-0.1 0.830 360.0 58.4 -60.6 -31.4 11.9 -8.6 24.6 3 4 A Y H > S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.875 108.6 43.2 -67.7 -37.3 8.9 -10.6 25.8 4 5 A D H 4 S+ 0 0 106 -3,-0.4 4,-0.2 1,-0.2 -2,-0.2 0.850 113.2 52.9 -75.7 -34.3 10.9 -12.1 28.7 5 6 A A H >< S+ 0 0 17 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.831 104.2 55.5 -69.3 -34.1 12.5 -8.7 29.5 6 7 A A H >< S+ 0 0 10 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.795 100.0 61.0 -69.0 -27.3 9.1 -7.0 29.7 7 8 A A T 3< S+ 0 0 72 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.596 88.8 72.4 -74.9 -10.4 8.0 -9.5 32.3 8 9 A Q T < S+ 0 0 107 -3,-1.1 2,-1.8 -4,-0.2 -1,-0.3 0.571 70.6 96.7 -79.8 -9.5 10.8 -8.3 34.5 9 10 A L < - 0 0 14 -3,-1.3 -1,-0.1 -4,-0.2 -3,-0.0 -0.588 64.4-176.3 -83.5 81.2 8.8 -5.1 35.1 10 11 A T > - 0 0 71 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.062 40.8 -88.6 -71.1 175.1 7.2 -6.2 38.4 11 12 A A H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.923 126.0 42.2 -52.2 -54.7 4.7 -4.3 40.5 12 13 A D H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.842 111.7 55.5 -65.9 -33.8 7.1 -2.3 42.5 13 14 A V H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 109.4 46.6 -64.2 -45.5 9.4 -1.6 39.6 14 15 A K H X S+ 0 0 57 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.899 111.8 52.6 -62.9 -39.2 6.5 -0.1 37.6 15 16 A K H X S+ 0 0 111 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.931 109.2 47.4 -62.9 -46.7 5.5 1.9 40.7 16 17 A D H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.832 109.6 55.0 -65.7 -30.4 9.0 3.4 41.2 17 18 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.926 111.2 44.5 -66.6 -44.1 9.1 4.3 37.5 18 19 A R H X S+ 0 0 79 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 112.4 50.4 -66.3 -46.8 5.8 6.2 37.8 19 20 A D H X S+ 0 0 54 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.903 116.4 41.2 -60.1 -42.7 6.7 8.0 41.0 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 3,-0.9 0.894 112.2 54.1 -73.0 -39.6 10.1 9.2 39.6 21 22 A W H 3X S+ 0 0 15 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.842 95.6 69.2 -63.1 -32.0 8.7 10.1 36.2 22 23 A K H 3< S+ 0 0 160 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.871 113.4 29.4 -53.2 -37.4 6.1 12.3 37.9 23 24 A V H X< S+ 0 0 62 -3,-0.9 3,-1.5 -4,-0.6 4,-0.4 0.925 123.3 46.4 -87.6 -54.3 9.0 14.6 38.8 24 25 A I H >< S+ 0 0 11 -4,-2.6 3,-1.0 1,-0.3 7,-0.2 0.880 111.8 51.2 -56.9 -43.4 11.4 14.0 35.9 25 26 A G G >< S+ 0 0 6 -4,-3.0 3,-0.5 1,-0.2 -1,-0.3 0.462 89.9 81.7 -76.7 0.1 8.8 14.2 33.2 26 27 A S G < S+ 0 0 96 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.783 102.0 33.0 -73.6 -28.9 7.6 17.6 34.6 27 28 A D G <> + 0 0 78 -3,-1.0 4,-2.6 -4,-0.4 5,-0.4 -0.688 69.8 166.4-129.5 77.2 10.4 19.4 32.8 28 29 A K H <> S+ 0 0 36 -3,-0.5 4,-1.6 -2,-0.3 5,-0.2 0.858 76.9 48.6 -60.7 -39.6 11.0 17.5 29.6 29 30 A K H > S+ 0 0 64 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.952 116.8 40.2 -68.1 -49.3 13.1 20.2 28.0 30 31 A G H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.945 122.9 38.3 -65.4 -50.5 15.4 20.8 31.0 31 32 A N H X S+ 0 0 11 -4,-2.6 4,-2.3 -7,-0.2 -1,-0.2 0.820 114.6 56.0 -71.5 -30.9 15.8 17.2 32.0 32 33 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.4 -2,-0.2 0.936 111.8 41.6 -66.4 -45.8 15.9 16.0 28.4 33 34 A V H X S+ 0 0 11 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.871 113.2 53.9 -68.6 -36.8 18.8 18.3 27.5 34 35 A A H X S+ 0 0 33 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.909 107.8 52.1 -62.9 -40.6 20.5 17.5 30.8 35 36 A L H X S+ 0 0 9 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.927 112.6 43.7 -60.7 -48.3 20.3 13.8 29.9 36 37 A M H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.895 112.5 50.1 -66.7 -43.6 21.9 14.4 26.5 37 38 A T H X S+ 0 0 49 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.858 110.6 51.2 -64.9 -34.5 24.7 16.7 27.7 38 39 A T H X S+ 0 0 32 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.873 108.3 52.5 -69.4 -37.5 25.6 14.2 30.4 39 40 A L H X S+ 0 0 14 -4,-1.6 4,-1.9 1,-0.2 7,-0.2 0.940 111.4 45.5 -63.0 -47.0 25.7 11.4 27.9 40 41 A F H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 115.1 48.1 -67.7 -29.7 28.1 13.3 25.7 41 42 A A H < S+ 0 0 64 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.907 118.8 36.8 -77.3 -44.2 30.3 14.4 28.6 42 43 A D H < S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.688 131.4 30.8 -82.0 -19.8 30.6 10.9 30.2 43 44 A N >< + 0 0 35 -4,-1.9 3,-2.2 -5,-0.3 4,-0.3 -0.559 62.9 170.8-140.5 73.1 30.8 9.1 26.9 44 45 A Q G > S+ 0 0 125 -3,-0.4 3,-1.3 1,-0.3 4,-0.3 0.731 73.0 73.3 -53.3 -26.8 32.4 11.3 24.2 45 46 A E G 3 S+ 0 0 104 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.673 87.9 61.2 -65.7 -17.1 32.5 8.3 21.9 46 47 A T G X S+ 0 0 6 -3,-2.2 3,-1.4 -7,-0.2 4,-0.5 0.635 80.4 83.6 -85.0 -13.8 28.7 8.6 21.3 47 48 A I G X S+ 0 0 53 -3,-1.3 3,-1.5 -4,-0.3 -1,-0.2 0.820 77.9 69.2 -57.8 -32.1 29.0 12.1 19.8 48 49 A G G > S+ 0 0 41 -3,-0.5 3,-0.9 -4,-0.3 -1,-0.3 0.805 92.0 58.5 -57.8 -30.9 29.8 10.6 16.4 49 50 A Y G < S+ 0 0 105 -3,-1.4 3,-0.3 1,-0.2 -1,-0.3 0.717 103.9 53.3 -71.3 -21.3 26.3 9.2 16.1 50 51 A F G X + 0 0 48 -3,-1.5 3,-1.7 -4,-0.5 4,-0.4 -0.060 63.0 131.7-106.6 31.7 24.8 12.7 16.4 51 52 A K G X + 0 0 174 -3,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.827 68.8 62.4 -50.7 -38.4 26.8 14.5 13.7 52 53 A R G 3 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.783 91.7 66.5 -60.8 -28.8 23.5 16.1 12.3 53 54 A L G < S- 0 0 6 -3,-1.7 12,-0.3 1,-0.2 -1,-0.3 0.667 93.1-153.3 -68.5 -17.4 23.0 17.9 15.6 54 55 A G < + 0 0 49 -3,-1.5 2,-1.4 -4,-0.4 -1,-0.2 -0.554 61.4 13.2 82.5-144.8 26.0 20.1 15.1 55 56 A D > - 0 0 85 -2,-0.2 3,-1.5 1,-0.2 4,-0.2 -0.554 64.7-176.0 -74.7 93.6 27.9 21.6 18.0 56 57 A V G > S+ 0 0 17 -2,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.690 71.9 74.4 -63.3 -22.2 26.5 19.7 20.9 57 58 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.613 79.6 73.9 -70.7 -10.2 28.5 21.7 23.5 58 59 A Q G X S- 0 0 107 -3,-1.5 3,-1.6 1,-0.2 -1,-0.3 0.669 79.8-177.7 -75.4 -16.5 26.1 24.6 23.0 59 60 A G G X + 0 0 10 -3,-1.5 3,-2.0 1,-0.3 7,-0.3 -0.321 63.8 10.1 60.4-127.6 23.5 22.7 24.9 60 61 A M G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.749 125.3 63.5 -55.9 -29.1 20.1 24.5 25.2 61 62 A A G < S+ 0 0 74 -3,-1.6 2,-0.9 1,-0.1 -1,-0.3 0.631 82.9 87.8 -72.9 -15.6 21.2 27.1 22.6 62 63 A N <> - 0 0 21 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.783 66.5-160.2 -88.5 107.7 21.5 24.4 19.9 63 64 A D H > S+ 0 0 79 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.861 89.0 50.5 -55.8 -41.7 18.0 24.2 18.4 64 65 A K H > S+ 0 0 95 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 112.3 46.8 -66.7 -38.4 18.6 20.8 16.9 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.914 113.5 48.8 -68.9 -42.0 19.8 19.4 20.2 66 67 A R H X S+ 0 0 16 -4,-2.6 4,-2.3 -7,-0.3 5,-0.2 0.902 111.3 50.1 -64.1 -40.9 16.9 20.9 22.0 67 68 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.911 114.0 44.9 -64.0 -42.0 14.5 19.5 19.5 68 69 A H H X S+ 0 0 26 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.922 112.4 51.8 -66.5 -45.3 16.0 16.1 19.8 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.893 110.8 46.5 -59.6 -44.8 16.1 16.2 23.6 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 3,-0.4 0.950 113.3 49.5 -63.1 -48.7 12.4 17.2 24.0 71 72 A T H >X S+ 0 0 43 -4,-1.9 3,-1.0 1,-0.2 4,-0.8 0.883 104.4 59.3 -58.0 -41.3 11.3 14.5 21.5 72 73 A L H >X S+ 0 0 40 -4,-2.6 4,-1.3 1,-0.3 3,-1.1 0.891 100.5 56.3 -55.5 -41.2 13.4 11.9 23.4 73 74 A M H 3X S+ 0 0 2 -4,-1.4 4,-1.7 -3,-0.4 -1,-0.3 0.743 100.1 57.9 -65.0 -25.7 11.4 12.6 26.6 74 75 A Y H < S+ 0 0 9 -4,-2.1 3,-0.8 1,-0.2 4,-0.2 0.924 110.4 49.6 -53.6 -52.0 6.8 3.8 27.7 80 81 A I H >< S+ 0 0 5 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.887 108.7 53.0 -56.3 -43.1 5.5 4.9 31.1 81 82 A D H 3< S+ 0 0 63 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.730 107.6 52.2 -67.0 -22.5 1.9 5.1 29.7 82 83 A Q T X< S+ 0 0 18 -4,-1.2 3,-0.9 -3,-0.8 7,-0.5 0.326 76.7 101.4 -95.7 6.2 2.1 1.6 28.3 83 84 A L T < S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.795 74.8 61.2 -61.4 -27.9 3.2 -0.0 31.6 84 85 A D T 3 S+ 0 0 123 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.813 106.7 46.1 -68.8 -30.6 -0.3 -1.3 32.3 85 86 A N X> - 0 0 55 -3,-0.9 4,-2.4 1,-0.1 3,-0.7 -0.887 63.2-166.7-121.5 103.7 -0.4 -3.4 29.1 86 87 A P H 3> S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.853 91.4 56.4 -52.1 -40.3 2.7 -5.6 28.4 87 88 A D H 3> S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.876 110.8 43.5 -62.4 -37.9 1.5 -6.2 24.8 88 89 A D H <> S+ 0 0 10 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.878 111.1 54.0 -75.0 -38.5 1.3 -2.5 24.1 89 90 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 -7,-0.5 -2,-0.2 0.935 109.7 49.6 -59.7 -45.9 4.7 -1.8 25.8 90 91 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.926 109.8 47.5 -61.1 -49.0 6.3 -4.4 23.6 91 92 A C H X S+ 0 0 8 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.835 113.8 49.8 -64.4 -29.8 4.9 -3.2 20.2 92 93 A V H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.889 111.0 49.2 -73.3 -39.5 5.9 0.3 21.2 93 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 112.0 47.2 -66.2 -43.6 9.4 -0.8 22.1 94 95 A E H X S+ 0 0 63 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.881 110.7 52.7 -66.1 -36.8 9.9 -2.8 18.9 95 96 A K H X S+ 0 0 42 -4,-1.6 4,-0.5 -5,-0.2 3,-0.5 0.926 110.9 47.8 -61.2 -45.6 8.6 0.2 16.8 96 97 A F H X S+ 0 0 49 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.859 105.6 59.1 -63.5 -38.7 11.2 2.4 18.6 97 98 A A H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.795 87.0 78.7 -63.8 -30.2 14.0 -0.1 18.0 98 99 A V H X S+ 0 0 33 -4,-1.2 4,-1.9 -3,-0.5 -1,-0.2 0.910 98.2 38.0 -44.7 -61.1 13.6 0.1 14.2 99 100 A N H X S+ 0 0 52 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.799 116.5 52.5 -65.8 -29.5 15.4 3.4 13.6 100 101 A H H <>S+ 0 0 44 -4,-0.8 5,-2.7 2,-0.2 -1,-0.2 0.828 108.4 50.7 -76.0 -30.0 18.0 2.6 16.3 101 102 A I H ><5S+ 0 0 83 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.894 107.9 54.4 -70.3 -38.9 18.8 -0.7 14.7 102 103 A T H 3<5S+ 0 0 108 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.808 106.1 50.7 -63.9 -31.6 19.2 1.1 11.4 103 104 A R T 3<5S- 0 0 110 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.396 117.5-117.0 -86.3 2.2 21.7 3.5 12.9 104 105 A K T < 5 + 0 0 176 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.837 54.3 164.1 65.4 37.1 23.6 0.4 14.1 105 106 A I < - 0 0 19 -5,-2.7 -1,-0.2 4,-0.1 -2,-0.1 -0.780 24.9-150.4 -87.4 115.8 23.1 1.2 17.8 106 107 A S > - 0 0 52 -2,-0.7 4,-2.5 39,-0.1 5,-0.2 -0.270 26.6-105.7 -81.1 170.9 23.9 -2.0 19.8 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.877 123.3 51.7 -63.1 -38.1 22.4 -3.0 23.1 108 109 A A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.887 110.5 47.9 -66.2 -39.5 25.7 -2.2 24.7 109 110 A E H >4 S+ 0 0 36 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.918 111.8 48.9 -67.1 -45.1 25.8 1.3 23.2 110 111 A F H >< S+ 0 0 36 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.891 100.3 66.9 -61.9 -40.0 22.2 2.0 24.2 111 112 A G G >< S+ 0 0 14 -4,-2.2 3,-1.5 1,-0.3 4,-0.3 0.621 79.9 80.0 -57.9 -13.7 22.9 0.9 27.7 112 113 A K G X S+ 0 0 57 -3,-1.4 3,-0.8 -4,-0.3 -1,-0.3 0.675 76.3 73.6 -68.7 -15.3 25.2 3.9 28.1 113 114 A I G <> S+ 0 0 26 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.714 77.8 78.4 -70.5 -19.3 22.1 6.0 28.8 114 115 A N H <> S+ 0 0 47 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.855 88.9 54.3 -57.6 -38.4 21.9 4.3 32.2 115 116 A G H <> S+ 0 0 32 -3,-0.8 4,-2.2 -4,-0.3 -1,-0.2 0.962 109.7 44.8 -62.0 -53.9 24.6 6.6 33.6 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.864 113.2 51.7 -58.8 -38.1 22.9 9.9 32.6 117 118 A I H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.925 108.7 50.9 -65.6 -43.3 19.6 8.7 33.8 118 119 A K 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108.5 52.1 -74.7 -27.2 9.7 12.0 6.8 247 102 B I H ><5S+ 0 0 84 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.912 107.6 51.9 -71.0 -42.2 12.0 13.9 4.4 248 103 B T H 3<5S+ 0 0 105 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.813 105.5 55.7 -62.4 -30.7 14.2 10.9 4.1 249 104 B R T 3<5S- 0 0 94 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.412 115.9-119.7 -82.2 1.5 11.2 8.8 3.3 250 105 B K T < 5 + 0 0 173 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.847 54.3 162.0 62.9 37.5 10.5 11.2 0.4 251 106 B I < - 0 0 24 -5,-2.4 -1,-0.2 4,-0.1 -2,-0.1 -0.809 26.7-149.7 -91.9 110.1 7.1 12.3 1.8 252 107 B S > - 0 0 55 -2,-0.8 4,-2.5 -3,-0.1 5,-0.2 -0.221 25.8-108.3 -73.3 168.2 6.1 15.6 0.2 253 108 B A H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.861 121.5 53.5 -65.2 -35.6 4.0 18.3 1.8 254 109 B A H 4 S+ 0 0 79 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.903 109.6 47.2 -65.5 -42.2 1.1 17.4 -0.5 255 110 B E H >4 S+ 0 0 42 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.933 111.3 51.0 -64.4 -46.5 1.4 13.7 0.5 256 111 B F H >< S+ 0 0 36 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.860 98.8 67.3 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112.3 57.3 -71.1 -35.9 -11.8 22.3 15.2 277 132 B A H X S+ 0 0 14 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.889 106.1 50.4 -62.8 -39.6 -10.9 20.6 11.8 278 133 B N H X S+ 0 0 99 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.859 107.1 55.2 -66.2 -35.8 -9.7 24.0 10.5 279 134 B A H X S+ 0 0 4 -4,-1.2 4,-1.3 -5,-0.3 3,-0.4 0.946 109.8 45.1 -62.0 -48.9 -7.5 24.4 13.6 280 135 B W H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.825 105.7 60.3 -65.7 -32.2 -5.8 21.1 13.1 281 136 B A H X S+ 0 0 35 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.863 104.8 51.7 -62.9 -33.4 -5.3 21.8 9.4 282 137 B K H X S+ 0 0 80 -4,-1.4 4,-0.8 -3,-0.4 -1,-0.2 0.853 108.3 49.2 -71.0 -35.9 -3.3 24.8 10.5 283 138 B L H >X S+ 0 0 5 -4,-1.3 4,-1.2 1,-0.2 3,-0.9 0.922 110.6 51.0 -68.2 -43.1 -1.1 22.8 12.8 284 139 B V H 3X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.844 102.6 61.5 -61.2 -34.0 -0.5 20.3 10.0 285 140 B A H 3X S+ 0 0 38 -4,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.783 97.2 57.9 -64.7 -27.9 0.5 23.2 7.7 286 141 B V H << S+ 0 0 0 -3,-0.9 4,-0.5 -4,-0.8 -1,-0.2 0.926 109.6 44.2 -67.3 -43.1 3.4 24.0 10.1 287 142 B V H >X S+ 0 0 3 -4,-1.2 3,-1.4 1,-0.2 4,-0.6 0.900 109.9 55.8 -66.3 -42.1 4.7 20.5 9.5 288 143 B Q H >< S+ 0 0 51 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.842 99.8 60.6 -59.7 -33.8 4.1 20.8 5.8 289 144 B A T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.718 103.0 52.5 -66.5 -20.9 6.2 24.0 5.7 290 145 B A T <4 0 0 20 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.579 360.0 360.0 -91.0 -11.5 9.1 21.9 7.0 291 146 B L << 0 0 66 -3,-1.0 -39,-0.1 -4,-0.6 -47,-0.1 -0.398 360.0 360.0 -90.6 360.0 8.8 19.2 4.2