==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 21-APR-09 3H58 . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR J.SOMAN,J.S.OLSON . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 81.8 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 1 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 0 A M 0 0 94 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 23.3 10.0 -9.8 2 1 A V - 0 0 120 0, 0.0 2,-0.2 0, 0.0 79,-0.1 -0.982 360.0-130.4-150.2 134.9 26.5 11.7 -11.1 3 2 A L - 0 0 12 -2,-0.3 2,-0.2 77,-0.1 128,-0.0 -0.526 20.3-123.9 -86.8 153.7 28.2 14.9 -10.2 4 3 A S > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.489 27.6-110.9 -87.1 164.3 29.4 17.5 -12.7 5 4 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.879 120.7 57.6 -62.0 -37.1 33.0 18.7 -12.7 6 5 A G H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 106.9 46.7 -59.7 -41.9 31.8 22.0 -11.4 7 6 A E H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 110.3 52.7 -68.7 -38.8 30.2 20.3 -8.4 8 7 A W H X S+ 0 0 16 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.897 105.6 56.1 -63.0 -37.0 33.4 18.3 -7.8 9 8 A Q H X S+ 0 0 113 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.888 106.3 49.2 -61.4 -40.1 35.3 21.6 -7.9 10 9 A L H X S+ 0 0 64 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.873 113.3 48.4 -66.4 -36.9 33.2 23.0 -5.1 11 10 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.933 114.7 42.4 -68.7 -47.9 33.7 19.8 -3.1 12 11 A L H X S+ 0 0 50 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.749 108.0 62.0 -73.7 -22.1 37.5 19.7 -3.5 13 12 A H H X S+ 0 0 89 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.929 110.5 38.0 -69.2 -45.2 37.8 23.4 -2.9 14 13 A V H >X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 3,-0.6 0.855 112.6 58.0 -75.4 -31.6 36.4 23.2 0.6 15 14 A W H 3X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.853 98.5 60.9 -65.9 -30.0 38.2 19.9 1.3 16 15 A A H 3< S+ 0 0 51 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.842 106.1 46.8 -63.3 -32.5 41.5 21.7 0.5 17 16 A K H X< S+ 0 0 86 -4,-0.7 3,-1.6 -3,-0.6 4,-0.4 0.885 108.3 55.0 -75.0 -39.9 40.7 24.0 3.5 18 17 A V H >< S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.3 7,-0.3 0.895 101.4 60.2 -58.3 -39.0 39.8 21.0 5.6 19 18 A E G >< S+ 0 0 83 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.577 82.9 78.7 -69.0 -8.3 43.2 19.6 4.8 20 19 A A G < S+ 0 0 91 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.815 119.7 8.7 -67.6 -25.6 44.9 22.6 6.4 21 20 A D G <> S+ 0 0 68 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.3 -0.496 71.3 167.2-153.8 73.6 44.2 20.9 9.7 22 21 A V H <> S+ 0 0 33 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.912 79.2 54.6 -58.5 -43.9 42.8 17.3 9.2 23 22 A A H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 109.4 47.2 -57.1 -47.1 43.2 16.4 12.9 24 23 A G H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 113.8 46.2 -62.3 -44.3 41.2 19.4 14.1 25 24 A H H X S+ 0 0 3 -4,-2.1 4,-2.5 -7,-0.3 -1,-0.2 0.875 110.4 55.4 -66.6 -35.7 38.4 18.8 11.6 26 25 A G H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.914 108.6 47.2 -62.7 -43.1 38.4 15.1 12.5 27 26 A Q H X S+ 0 0 33 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.957 112.5 48.6 -62.2 -51.6 37.9 15.9 16.2 28 27 A D H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.902 113.2 48.1 -55.3 -45.7 35.1 18.4 15.5 29 28 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.928 114.1 43.5 -64.8 -47.3 33.3 16.0 13.2 30 29 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.921 115.0 50.2 -65.7 -42.1 33.5 12.9 15.5 31 30 A I H X S+ 0 0 6 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.897 111.0 49.2 -62.7 -38.9 32.5 15.0 18.6 32 31 A R H X S+ 0 0 71 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.916 111.0 51.1 -65.9 -42.0 29.6 16.4 16.7 33 32 A L H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 7,-0.2 0.956 111.7 46.1 -58.5 -52.7 28.5 12.9 15.6 34 33 A F H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.784 116.2 45.0 -63.8 -30.2 28.7 11.6 19.2 35 34 A K H < S+ 0 0 112 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.864 118.3 41.6 -82.3 -36.2 26.8 14.5 20.7 36 35 A S H < S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.814 133.6 20.9 -78.7 -31.7 24.1 14.6 18.0 37 36 A H >< + 0 0 32 -4,-2.7 3,-2.4 -5,-0.3 4,-0.4 -0.601 68.3 179.1-139.8 73.9 23.7 10.9 17.8 38 37 A P G >> S+ 0 0 79 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.753 76.4 70.3 -45.4 -34.6 25.0 9.3 21.1 39 38 A E G >4 S+ 0 0 71 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.806 88.5 64.8 -58.5 -29.3 24.1 5.8 19.9 40 39 A T G X4 S+ 0 0 3 -3,-2.4 3,-1.6 1,-0.2 4,-0.3 0.829 90.3 63.9 -64.5 -31.4 26.9 6.0 17.3 41 40 A L G X4 S+ 0 0 11 -3,-1.2 3,-1.8 -4,-0.4 -1,-0.2 0.815 88.9 70.5 -62.3 -29.0 29.6 6.2 20.1 42 41 A E G << S+ 0 0 123 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.683 87.2 64.9 -62.0 -19.4 28.5 2.7 21.2 43 42 A K G < S+ 0 0 75 -3,-1.6 2,-1.0 -4,-0.3 -1,-0.3 0.626 86.0 78.9 -79.9 -13.3 30.1 1.2 18.0 44 43 A F X> - 0 0 50 -3,-1.8 4,-2.3 -4,-0.3 3,-1.3 -0.788 57.4-176.4 -99.7 95.4 33.5 2.3 19.0 45 44 A D T 34 S+ 0 0 150 -2,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.796 85.0 53.6 -59.3 -28.6 34.7 -0.3 21.6 46 45 A R T 34 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 16,-0.1 0.655 123.5 23.8 -81.2 -16.5 37.9 1.7 22.1 47 46 A F T X4 S+ 0 0 6 -3,-1.3 3,-2.1 -6,-0.2 -2,-0.2 0.424 84.5 107.4-128.8 -2.5 36.1 5.0 22.8 48 47 A K T 3< S+ 0 0 83 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.696 76.4 63.9 -50.9 -23.7 32.7 4.0 24.1 49 48 A H T 3 S+ 0 0 127 -4,-0.2 -1,-0.3 -8,-0.1 -2,-0.1 0.704 70.8 114.5 -77.6 -22.4 33.7 5.0 27.6 50 49 A L < - 0 0 17 -3,-2.1 3,-0.1 1,-0.1 -3,-0.1 -0.288 41.0-177.6 -54.4 127.0 34.2 8.7 26.9 51 50 A K + 0 0 174 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.758 56.0 31.1 -99.7 -31.8 31.6 10.7 28.9 52 51 A T S > S- 0 0 68 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.840 74.2-114.2-130.0 166.5 32.2 14.3 27.8 53 52 A E H > S+ 0 0 65 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.848 117.6 59.3 -64.4 -33.4 33.3 16.5 25.0 54 53 A A H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 106.4 45.1 -61.6 -43.9 36.3 17.5 27.1 55 54 A E H > S+ 0 0 84 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.864 112.5 52.8 -68.9 -34.3 37.4 13.8 27.4 56 55 A M H >< S+ 0 0 12 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.920 109.7 47.6 -65.8 -44.1 36.8 13.4 23.6 57 56 A K H 3< S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 112.0 50.4 -65.5 -33.5 39.0 16.4 22.8 58 57 A A H 3< S+ 0 0 83 -4,-1.7 2,-0.7 -5,-0.2 -1,-0.2 0.561 85.4 106.9 -82.4 -8.5 41.7 15.2 25.1 59 58 A S S+ 0 0 99 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.882 88.6 52.8 -66.0 -37.3 44.9 11.3 21.5 61 60 A D H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 107.3 50.5 -66.7 -37.8 43.5 8.0 20.1 62 61 A L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 108.9 52.9 -67.6 -36.2 40.2 9.6 19.1 63 62 A K H X S+ 0 0 45 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.915 108.6 49.5 -63.6 -42.4 42.2 12.3 17.3 64 63 A K H X S+ 0 0 108 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.895 109.8 51.9 -62.6 -40.5 44.1 9.6 15.4 65 64 A L H X S+ 0 0 43 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.890 107.8 52.1 -63.2 -39.7 40.9 7.9 14.5 66 65 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.893 108.8 49.7 -64.6 -40.6 39.5 11.2 13.1 67 66 A V H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.924 112.0 48.3 -63.5 -44.1 42.6 11.7 10.9 68 67 A T H X S+ 0 0 97 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.901 112.4 50.0 -62.9 -41.2 42.3 8.2 9.6 69 68 A N H X S+ 0 0 52 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.949 114.9 41.0 -63.4 -52.1 38.5 8.7 8.9 70 69 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.793 112.2 55.2 -70.2 -28.6 38.9 12.0 7.0 71 70 A T H X S+ 0 0 82 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 109.4 47.6 -70.6 -39.5 42.0 10.9 5.1 72 71 A A H X S+ 0 0 42 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.907 114.0 47.6 -65.9 -40.6 40.1 7.9 3.8 73 72 A L H X S+ 0 0 12 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.894 109.2 53.7 -67.1 -39.7 37.1 10.1 2.9 74 73 A G H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 106.1 52.2 -61.4 -42.0 39.4 12.6 1.2 75 74 A A H X S+ 0 0 45 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.904 111.5 47.8 -61.0 -40.2 40.9 9.9 -1.0 76 75 A I H ><>S+ 0 0 5 -4,-1.6 3,-1.2 1,-0.2 5,-0.6 0.948 111.3 49.0 -65.7 -48.9 37.4 8.9 -2.0 77 76 A L H ><5S+ 0 0 3 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.887 106.0 57.9 -59.1 -39.6 36.3 12.4 -2.8 78 77 A K H 3<5S+ 0 0 105 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.705 95.1 64.8 -65.7 -19.1 39.4 13.1 -4.9 79 78 A K T X<5S- 0 0 83 -3,-1.2 3,-2.1 -4,-0.7 -1,-0.3 0.556 98.5-142.5 -79.0 -7.8 38.5 10.1 -7.1 80 79 A K T < 5S- 0 0 69 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.866 73.2 -34.3 47.9 47.1 35.5 12.1 -8.1 81 80 A G T 3 + 0 0 5 -2,-1.2 4,-2.3 1,-0.2 5,-0.2 0.064 19.4 119.5-108.7 22.5 36.1 5.2 -6.0 84 83 A E H > S+ 0 0 110 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.896 79.5 47.6 -55.8 -42.5 35.3 1.5 -6.6 85 84 A A H >4 S+ 0 0 63 -3,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.929 113.1 47.7 -65.1 -45.1 38.7 0.4 -5.4 86 85 A E H 3> S+ 0 0 56 1,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.829 107.6 56.7 -64.9 -34.3 38.7 2.6 -2.3 87 86 A L H 3X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.755 92.1 72.6 -72.1 -23.7 35.2 1.5 -1.3 88 87 A K H S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.871 120.9 51.6 -65.7 -34.1 38.1 -2.4 2.0 90 89 A L H X S+ 0 0 36 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.931 111.7 45.7 -66.2 -47.7 36.0 0.4 3.7 91 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.3 0.909 113.1 51.1 -63.6 -41.9 32.7 -1.3 2.9 92 91 A Q H X>S+ 0 0 118 -4,-2.3 4,-2.6 -5,-0.3 5,-0.6 0.957 113.1 42.5 -63.0 -49.8 34.0 -4.7 4.1 93 92 A S H X>S+ 0 0 27 -4,-2.3 5,-2.8 1,-0.2 4,-1.8 0.930 118.4 44.9 -63.8 -44.8 35.4 -3.5 7.5 94 93 A H H <5S+ 0 0 54 -4,-2.3 6,-3.4 -5,-0.2 -1,-0.2 0.764 119.6 40.7 -72.8 -23.7 32.4 -1.3 8.2 95 94 A A H <5S+ 0 0 3 -4,-2.0 -2,-0.2 4,-0.2 -3,-0.2 0.911 130.8 22.6 -86.8 -46.7 29.8 -3.9 7.2 96 95 A T H <5S+ 0 0 78 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.798 133.4 27.8 -92.8 -35.2 31.4 -7.0 8.6 97 96 A K T <> - 0 0 23 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.272 22.2-113.9 -67.2 153.9 24.4 0.9 9.4 102 101 A I H 3> S+ 0 0 21 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.856 116.8 64.9 -54.2 -36.7 23.8 3.2 6.5 103 102 A K H 3> S+ 0 0 110 51,-0.5 4,-1.9 1,-0.3 -1,-0.3 0.869 101.0 50.3 -55.3 -37.1 21.7 5.4 8.9 104 103 A Y H <> S+ 0 0 48 -3,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.795 105.9 54.2 -73.0 -28.6 25.0 6.0 10.8 105 104 A L H X S+ 0 0 16 -4,-1.1 4,-1.6 -3,-0.5 -1,-0.2 0.824 107.7 51.6 -73.1 -28.7 26.8 7.0 7.6 106 105 A E H X S+ 0 0 66 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.916 108.0 52.9 -70.2 -41.3 24.0 9.5 7.1 107 106 A F H X S+ 0 0 32 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.914 110.6 44.6 -59.7 -44.8 24.6 10.8 10.6 108 107 A I H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.838 110.0 56.5 -70.9 -28.6 28.3 11.3 10.0 109 108 A S H X S+ 0 0 6 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.905 106.9 49.9 -65.7 -39.1 27.5 12.9 6.7 110 109 A E H X S+ 0 0 100 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 110.2 50.5 -64.2 -40.0 25.3 15.4 8.6 111 110 A A H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.869 108.3 51.9 -66.4 -39.0 28.2 16.0 11.1 112 111 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 111.4 47.2 -63.2 -45.9 30.6 16.7 8.2 113 112 A I H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 111.4 51.6 -62.9 -41.5 28.2 19.2 6.7 114 113 A H H X S+ 0 0 69 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.934 112.2 44.8 -61.4 -48.3 27.7 20.9 10.1 115 114 A V H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.903 114.1 48.2 -65.5 -42.0 31.4 21.3 10.8 116 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.894 110.8 52.0 -65.7 -38.3 32.2 22.6 7.3 117 116 A H H < S+ 0 0 102 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.893 115.1 43.4 -62.9 -38.9 29.3 25.0 7.4 118 117 A S H < S+ 0 0 70 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 122.6 33.8 -73.2 -47.6 30.7 26.3 10.8 119 118 A R H < S+ 0 0 94 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.753 127.0 33.9 -83.3 -24.5 34.4 26.5 9.9 120 119 A H >X + 0 0 32 -4,-2.5 4,-0.8 -5,-0.3 3,-0.7 -0.316 60.3 151.1-131.1 53.7 34.2 27.5 6.2 121 120 A P G >4 S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.846 77.5 52.9 -51.7 -41.0 31.2 29.7 5.6 122 121 A G G 34 S+ 0 0 75 1,-0.2 3,-0.3 -3,-0.1 -2,-0.1 0.860 119.8 32.8 -65.5 -36.4 32.9 31.5 2.7 123 122 A N G <4 S+ 0 0 56 -3,-0.7 -1,-0.2 1,-0.2 -109,-0.1 0.252 117.0 57.4-103.7 9.9 33.7 28.3 0.9 124 123 A F S << S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 -0.405 71.4 144.9-135.7 55.5 30.7 26.4 2.0 125 124 A G S > S- 0 0 36 -3,-0.3 4,-2.6 4,-0.0 5,-0.2 -0.070 70.6 -73.8 -77.4-169.9 27.8 28.5 0.8 126 125 A A H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 132.7 45.1 -56.1 -51.2 24.6 27.0 -0.5 127 126 A D H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 114.5 49.2 -62.2 -42.1 25.9 25.7 -3.8 128 127 A A H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 111.3 49.0 -63.9 -42.2 29.0 24.3 -2.2 129 128 A Q H X S+ 0 0 69 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.897 109.5 52.7 -64.5 -38.9 27.0 22.5 0.5 130 129 A G H X S+ 0 0 38 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.900 109.5 49.3 -62.5 -39.6 24.7 21.1 -2.1 131 130 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 112.2 47.4 -65.0 -45.3 27.7 19.8 -4.0 132 131 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.901 111.4 50.9 -63.7 -41.2 29.2 18.2 -0.9 133 132 A N H X S+ 0 0 63 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.917 110.0 50.6 -62.7 -40.1 25.8 16.6 -0.0 134 133 A K H X S+ 0 0 59 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.904 110.8 49.1 -63.5 -40.4 25.6 15.2 -3.5 135 134 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.888 113.3 45.9 -66.6 -40.4 29.1 13.8 -3.1 136 135 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.832 109.9 54.2 -73.1 -30.6 28.3 12.2 0.2 137 136 A E H X S+ 0 0 82 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.874 109.3 48.8 -69.3 -35.0 25.0 10.8 -1.1 138 137 A L H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.920 111.0 50.6 -67.7 -43.9 26.9 9.2 -3.9 139 138 A F H X S+ 0 0 18 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.937 113.3 44.6 -57.5 -50.3 29.3 7.7 -1.4 140 139 A R H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.844 112.4 52.8 -66.0 -34.1 26.5 6.4 0.7 141 140 A K H X S+ 0 0 89 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.953 114.1 40.8 -67.0 -48.3 24.7 5.0 -2.3 142 141 A D H X S+ 0 0 45 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.884 115.4 51.6 -67.6 -37.7 27.7 3.1 -3.6 143 142 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.909 108.8 51.7 -64.3 -41.1 28.6 2.0 -0.1 144 143 A A H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 108.1 51.3 -62.2 -40.6 25.1 0.7 0.4 145 144 A A H X S+ 0 0 46 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.892 111.6 47.5 -63.2 -39.9 25.3 -1.3 -2.8 146 145 A K H X S+ 0 0 51 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.900 107.6 55.7 -66.9 -42.7 28.5 -2.8 -1.6 147 146 A Y H X>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.2 4,-0.7 0.938 107.9 49.4 -52.8 -49.6 27.0 -3.6 1.8 148 147 A K H ><5S+ 0 0 154 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.902 109.8 50.5 -58.2 -43.6 24.3 -5.5 -0.0 149 148 A E H 3<5S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.1 51.0 -62.8 -35.8 26.8 -7.4 -2.1 150 149 A L H 3<5S- 0 0 72 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.554 121.9-108.5 -78.9 -10.5 28.7 -8.3 1.1 151 150 A G T <<5S+ 0 0 72 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.635 95.8 85.4 92.7 17.5 25.5 -9.5 2.7 152 151 A Y < + 0 0 70 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.800 38.4 161.5-111.2 -68.0 24.9 -6.8 5.2 153 152 A Q 0 0 84 -10,-0.2 -9,-0.1 -9,-0.1 -8,-0.0 0.903 360.0 360.0 37.1 80.2 23.0 -3.7 3.9 154 153 A G 0 0 44 -54,-0.2 -51,-0.5 -10,-0.0 -1,-0.1 0.467 360.0 360.0-147.8 360.0 21.9 -2.2 7.2