==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 29-OCT-93 1MGN . COMPND 2 MOLECULE: METMYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR M.S.HARGROVE,M.L.QUILLIN,G.N.PHILLIPS JR. . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 80.5 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 62.3 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 2 0 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 81 0, 0.0 2,-0.4 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 162.2 24.6 9.8 -9.6 2 1 A V - 0 0 126 136,-0.0 2,-0.3 0, 0.0 79,-0.1 -0.980 360.0-148.1-143.4 121.5 27.1 12.0 -11.4 3 2 A L - 0 0 9 -2,-0.4 2,-0.1 77,-0.1 128,-0.0 -0.652 22.9-123.0 -83.2 144.0 28.6 15.2 -10.3 4 3 A S > - 0 0 64 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.475 28.4-107.7 -76.2 168.2 29.6 17.8 -12.8 5 4 A E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 121.0 56.9 -63.9 -31.8 33.2 19.0 -12.9 6 5 A G H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 106.5 48.6 -69.5 -33.9 32.0 22.3 -11.5 7 6 A E H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 110.3 50.2 -69.3 -46.7 30.5 20.6 -8.5 8 7 A W H X S+ 0 0 16 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.875 107.8 56.7 -55.8 -38.6 33.7 18.5 -7.9 9 8 A Q H X S+ 0 0 130 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.889 106.4 47.8 -59.1 -46.4 35.6 21.9 -8.1 10 9 A L H X S+ 0 0 66 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.875 113.7 47.6 -59.3 -42.5 33.5 23.3 -5.3 11 10 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.957 114.7 45.1 -64.7 -44.3 34.0 20.2 -3.2 12 11 A L H X S+ 0 0 47 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.860 107.9 58.9 -77.5 -16.3 37.8 20.1 -3.8 13 12 A H H X S+ 0 0 87 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.962 112.0 37.5 -76.4 -44.3 38.2 23.8 -3.1 14 13 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 3,-0.4 0.910 113.1 58.9 -75.2 -29.5 36.7 23.7 0.4 15 14 A W H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.864 97.9 60.6 -63.5 -34.1 38.5 20.3 1.0 16 15 A A H < S+ 0 0 55 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.906 105.2 48.6 -62.0 -28.3 41.8 22.0 0.3 17 16 A K H >< S+ 0 0 87 -4,-1.0 3,-1.2 -3,-0.4 4,-0.3 0.915 108.3 52.1 -75.5 -48.3 41.0 24.3 3.3 18 17 A V H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.2 7,-0.3 0.870 102.9 61.4 -49.3 -46.1 40.2 21.4 5.5 19 18 A E G >< S+ 0 0 80 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.711 85.8 73.7 -61.5 -12.3 43.6 19.8 4.6 20 19 A A G < S+ 0 0 92 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.766 118.6 15.9 -71.4 -16.5 45.4 22.8 6.1 21 20 A D G <> S+ 0 0 67 -3,-1.9 4,-2.1 -4,-0.3 5,-0.3 -0.437 71.8 164.0-153.8 77.8 44.5 21.2 9.5 22 21 A V H <> S+ 0 0 39 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.953 77.9 49.1 -68.5 -38.3 43.3 17.6 9.2 23 22 A A H > S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.878 111.2 48.9 -71.3 -39.2 43.6 16.8 12.8 24 23 A G H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.866 114.5 44.8 -64.0 -43.1 41.7 19.8 14.1 25 24 A H H X S+ 0 0 3 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.895 110.5 56.1 -66.8 -45.1 38.8 19.2 11.6 26 25 A G H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.3 5,-0.3 0.901 109.4 46.4 -49.8 -49.3 38.9 15.5 12.5 27 26 A Q H X S+ 0 0 40 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.935 112.7 48.4 -59.4 -52.2 38.3 16.4 16.2 28 27 A D H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.896 112.8 48.4 -54.5 -49.1 35.6 18.9 15.5 29 28 A I H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.933 113.6 45.0 -60.4 -45.3 33.7 16.5 13.2 30 29 A L H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.918 113.5 49.8 -70.0 -36.0 33.9 13.5 15.6 31 30 A I H X S+ 0 0 7 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.953 110.7 50.2 -68.2 -37.9 32.9 15.5 18.6 32 31 A R H X S+ 0 0 91 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.985 112.8 47.8 -64.1 -39.9 30.0 16.9 16.7 33 32 A L H X S+ 0 0 9 -4,-2.8 4,-2.3 1,-0.2 7,-0.2 0.912 114.7 44.1 -64.0 -49.6 29.0 13.4 15.7 34 33 A F H < S+ 0 0 4 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.807 114.5 49.2 -70.8 -26.6 29.3 12.0 19.3 35 34 A K H < S+ 0 0 111 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.899 118.5 39.3 -78.9 -36.7 27.5 14.9 20.9 36 35 A S H < S+ 0 0 50 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.757 132.7 21.9 -76.5 -39.4 24.7 14.7 18.4 37 36 A H >< + 0 0 32 -4,-2.3 3,-2.4 -5,-0.3 4,-0.4 -0.515 66.0 177.2-133.5 85.5 24.4 11.0 18.2 38 37 A P G >> S+ 0 0 78 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.687 73.9 73.2 -68.7 -17.9 25.9 9.4 21.2 39 38 A E G >4 S+ 0 0 66 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.897 88.2 63.6 -66.0 -27.6 24.9 6.0 20.2 40 39 A T G X4 S+ 0 0 5 -3,-2.4 3,-1.7 1,-0.3 4,-0.3 0.857 90.0 65.3 -66.4 -26.5 27.7 6.2 17.5 41 40 A L G X4 S+ 0 0 19 -3,-0.9 3,-1.8 -4,-0.4 -1,-0.3 0.824 88.2 70.5 -66.1 -25.8 30.4 6.4 20.2 42 41 A E G << S+ 0 0 135 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.749 85.5 66.7 -63.8 -21.6 29.5 2.9 21.3 43 42 A K G < S+ 0 0 84 -3,-1.7 2,-0.9 -4,-0.4 -1,-0.3 0.667 88.0 79.0 -74.3 -13.4 31.0 1.5 18.1 44 43 A F X> + 0 0 38 -3,-1.8 4,-1.9 -4,-0.3 3,-1.7 -0.621 53.8 179.6 -99.4 105.4 34.4 2.6 19.3 45 44 A D T 34 S+ 0 0 125 -2,-0.9 4,-0.2 1,-0.3 3,-0.2 0.863 80.3 64.2 -73.3 -19.8 35.8 0.3 21.8 46 45 A R T 34 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.792 124.9 5.2 -70.8 -38.8 38.9 2.4 22.0 47 46 A F T X4 S+ 0 0 1 -3,-1.7 3,-2.0 -6,-0.2 -1,-0.2 0.414 83.0 116.9-143.3 41.2 37.1 5.4 23.4 48 47 A K T 3< S+ 0 0 105 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.556 72.1 71.2 -80.3 -14.1 33.5 4.7 24.2 49 48 A H T 3 + 0 0 126 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.523 68.3 117.9 -75.2 -8.3 34.2 5.4 27.9 50 49 A L < - 0 0 18 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.423 41.1-176.6 -60.2 132.0 34.7 9.2 27.2 51 50 A K + 0 0 175 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.715 54.6 33.4-106.1 -28.6 32.0 11.1 29.1 52 51 A T S > S- 0 0 67 1,-0.1 4,-2.5 0, 0.0 3,-0.2 -0.908 75.1-112.9-127.7 169.0 32.5 14.7 28.2 53 52 A E H > S+ 0 0 69 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.844 118.1 56.0 -63.5 -41.5 33.5 17.0 25.4 54 53 A A H > S+ 0 0 67 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.883 107.3 47.7 -56.9 -42.6 36.5 18.0 27.3 55 54 A E H > S+ 0 0 86 2,-0.2 4,-0.9 -3,-0.2 3,-0.3 0.918 111.7 52.0 -63.9 -39.6 37.6 14.3 27.6 56 55 A M H >< S+ 0 0 13 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.945 108.1 51.2 -59.3 -44.7 37.0 14.0 23.9 57 56 A K H 3< S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 111.3 47.7 -63.7 -34.4 39.2 17.0 23.1 58 57 A A H 3< S+ 0 0 79 -4,-1.2 2,-0.7 -3,-0.3 -1,-0.3 0.560 85.8 108.4 -86.9 -2.6 42.0 15.6 25.2 59 58 A S S+ 0 0 103 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.853 89.3 57.2 -75.1 -30.1 44.9 11.4 21.5 61 60 A D H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.856 106.4 48.6 -65.6 -41.9 43.2 8.2 20.2 62 61 A L H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.936 110.5 50.4 -65.1 -41.6 40.1 10.2 19.1 63 62 A K H X S+ 0 0 69 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.915 108.6 53.1 -64.5 -37.1 42.2 12.7 17.3 64 63 A K H X S+ 0 0 108 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.890 109.2 48.3 -61.5 -47.5 44.1 9.9 15.5 65 64 A Y H X S+ 0 0 45 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.895 106.4 57.3 -60.2 -39.7 40.9 8.3 14.3 66 65 A G H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.880 108.1 47.2 -55.4 -46.5 39.7 11.7 13.0 67 66 A V H X S+ 0 0 50 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.911 111.0 52.8 -61.7 -41.2 42.9 11.9 10.9 68 67 A T H X S+ 0 0 84 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.941 111.4 45.3 -58.5 -46.5 42.3 8.4 9.7 69 68 A V H X S+ 0 0 26 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.932 115.9 44.4 -63.4 -49.9 38.7 9.2 8.6 70 69 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.866 111.9 52.2 -69.4 -30.5 39.5 12.4 6.9 71 70 A T H X S+ 0 0 85 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.952 113.2 44.6 -70.6 -41.9 42.5 11.1 5.1 72 71 A A H X S+ 0 0 46 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.930 116.3 45.7 -67.1 -43.1 40.5 8.2 3.7 73 72 A L H X S+ 0 0 14 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.914 109.8 55.3 -66.6 -37.9 37.6 10.4 2.7 74 73 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.920 106.7 51.3 -61.5 -35.8 39.9 13.0 1.1 75 74 A A H < S+ 0 0 48 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.919 110.9 48.5 -72.9 -30.6 41.4 10.2 -1.0 76 75 A I H ><>S+ 0 0 8 -4,-1.6 3,-1.5 1,-0.2 5,-0.5 0.954 111.2 49.0 -73.3 -43.5 37.9 9.2 -2.1 77 76 A L H ><5S+ 0 0 4 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.893 104.3 59.1 -64.8 -36.3 36.8 12.7 -3.0 78 77 A K T 3<5S+ 0 0 104 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.632 93.7 66.6 -67.0 -20.6 39.9 13.4 -5.0 79 78 A K T X 5S- 0 0 75 -3,-1.5 3,-1.9 -4,-0.5 -1,-0.3 0.466 98.8-140.2 -68.3 -18.4 39.0 10.4 -7.3 80 79 A K T < 5S- 0 0 67 -3,-1.9 -3,-0.1 1,-0.3 -77,-0.1 0.863 73.1 -37.7 58.4 44.0 35.9 12.5 -8.4 81 80 A G T 3 + 0 0 6 -2,-1.2 4,-2.1 1,-0.2 3,-0.2 0.156 16.5 120.2-117.6 9.0 36.5 5.4 -6.4 84 83 A E H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.920 79.9 47.0 -38.8 -49.9 35.6 1.8 -6.8 85 84 A A H 4 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.870 111.9 49.3 -65.1 -49.3 39.0 0.5 -5.6 86 85 A E H > S+ 0 0 63 -3,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.781 109.3 53.9 -55.4 -34.8 39.1 2.8 -2.6 87 86 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 -3,-0.3 5,-0.3 0.786 93.0 72.0 -76.9 -24.3 35.6 1.8 -1.5 88 87 A K H X S+ 0 0 150 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.931 101.7 37.0 -56.9 -65.0 36.2 -2.0 -1.5 89 88 A P H > S+ 0 0 81 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.885 118.6 53.5 -59.0 -29.9 38.3 -2.5 1.6 90 89 A L H X S+ 0 0 38 -4,-0.7 4,-2.3 2,-0.2 5,-0.2 0.909 109.7 45.4 -71.1 -44.7 36.4 0.3 3.4 91 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.924 111.9 53.6 -67.5 -37.9 33.0 -1.3 2.8 92 91 A Q H X>S+ 0 0 115 -4,-2.3 4,-2.2 -5,-0.3 5,-0.6 0.928 112.9 40.9 -62.8 -50.6 34.2 -4.7 3.8 93 92 A S H X>S+ 0 0 36 -4,-2.0 5,-2.7 3,-0.2 4,-1.4 0.903 117.6 47.0 -65.5 -40.4 35.6 -3.6 7.2 94 93 A H H <5S+ 0 0 33 -4,-2.3 6,-2.6 -5,-0.2 5,-0.3 0.838 119.2 40.2 -73.1 -28.1 32.7 -1.3 8.0 95 94 A A H <5S+ 0 0 1 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.955 130.2 23.9 -85.8 -30.5 30.1 -3.9 7.1 96 95 A T H <5S+ 0 0 80 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.822 132.1 26.5-105.5 -36.9 31.8 -7.1 8.5 97 96 A K T <> - 0 0 28 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.236 22.5-116.2 -65.4 151.6 24.8 1.0 9.6 102 101 A I H >> S+ 0 0 19 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.810 114.6 68.2 -56.0 -36.5 24.4 3.3 6.6 103 102 A K H 3> S+ 0 0 117 51,-0.6 4,-1.9 1,-0.2 -1,-0.3 0.884 96.5 52.2 -53.6 -36.2 22.4 5.5 9.0 104 103 A Y H <> S+ 0 0 47 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.744 104.8 55.1 -69.3 -33.7 25.6 6.3 10.9 105 104 A L H < + 0 0 29 -4,-2.1 3,-1.5 -5,-0.3 4,-0.4 -0.269 63.0 150.9-121.4 60.3 34.6 27.9 6.2 121 120 A P G > S+ 0 0 85 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.894 76.0 52.8 -65.0 -28.4 31.5 30.1 5.6 122 121 A G G 3 S+ 0 0 73 1,-0.3 3,-0.2 -3,-0.1 -5,-0.1 0.731 117.3 35.8 -80.9 -23.3 33.0 32.0 2.7 123 122 A N G < S+ 0 0 61 -3,-1.5 -1,-0.3 -7,-0.2 -109,-0.1 0.131 113.7 62.2-106.5 11.2 34.0 28.8 0.8 124 123 A F < + 0 0 3 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 -0.362 67.1 146.4-133.9 51.3 30.9 26.9 1.9 125 124 A G > - 0 0 41 -3,-0.2 4,-2.8 1,-0.0 5,-0.3 -0.209 68.5 -76.0 -69.3-168.8 27.9 28.8 0.5 126 125 A A H > S+ 0 0 82 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.871 130.7 47.3 -65.6 -45.0 24.8 27.2 -0.7 127 126 A D H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.884 113.8 46.6 -64.9 -43.8 26.1 25.9 -4.0 128 127 A A H > S+ 0 0 7 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.898 113.4 50.1 -66.1 -34.5 29.3 24.4 -2.4 129 128 A Q H X S+ 0 0 72 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.908 110.0 50.7 -69.9 -36.8 27.2 22.8 0.4 130 129 A G H X S+ 0 0 37 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.927 111.7 47.8 -65.4 -39.0 24.9 21.3 -2.2 131 130 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.917 112.1 48.2 -67.4 -40.2 27.9 20.0 -4.1 132 131 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.897 111.1 52.1 -63.9 -43.9 29.5 18.5 -0.9 133 132 A N H X S+ 0 0 55 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.917 109.7 48.8 -57.7 -45.0 26.1 16.9 -0.0 134 133 A K H X S+ 0 0 61 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.906 110.2 51.4 -59.1 -43.7 25.9 15.4 -3.5 135 134 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.938 113.0 45.3 -63.4 -33.8 29.5 14.0 -3.1 136 135 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.869 111.1 52.3 -80.6 -30.2 28.7 12.5 0.2 137 136 A E H X S+ 0 0 75 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.906 110.1 49.9 -66.5 -43.4 25.4 11.0 -1.0 138 137 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.939 110.9 49.5 -57.7 -51.1 27.3 9.4 -3.9 139 138 A F H X S+ 0 0 22 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 113.8 44.9 -52.5 -53.0 29.8 8.0 -1.4 140 139 A R H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.847 112.0 52.7 -60.1 -42.2 27.0 6.6 0.8 141 140 A K H X S+ 0 0 86 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.947 112.3 43.7 -60.2 -46.6 25.1 5.2 -2.2 142 141 A D H X S+ 0 0 28 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.898 114.8 49.3 -67.4 -34.2 28.1 3.3 -3.6 143 142 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.901 109.5 52.7 -71.4 -40.3 29.1 2.1 -0.1 144 143 A A H X S+ 0 0 20 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.904 107.7 51.5 -60.2 -39.4 25.4 0.9 0.5 145 144 A A H X S+ 0 0 39 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.926 111.2 47.6 -67.7 -31.7 25.5 -1.0 -2.8 146 145 A K H X S+ 0 0 53 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.902 106.5 56.8 -77.0 -33.3 28.8 -2.7 -1.7 147 146 A Y H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.6 0.942 107.1 51.0 -58.0 -46.2 27.4 -3.6 1.7 148 147 A K H ><5S+ 0 0 147 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.969 108.9 48.9 -58.4 -40.6 24.6 -5.4 -0.1 149 148 A E H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 110.7 53.2 -68.1 -29.3 27.0 -7.4 -2.2 150 149 A L H 3<5S- 0 0 78 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.521 120.7-107.4 -84.1 -11.8 28.9 -8.3 0.9 151 150 A G T <<5S+ 0 0 69 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.641 95.9 88.3 99.6 14.9 25.8 -9.6 2.7 152 151 A Y < + 0 0 64 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.795 43.1 173.6-113.6 -40.4 25.3 -6.8 5.2 153 152 A Q 0 0 90 -6,-0.2 -9,-0.1 -9,-0.2 -8,-0.1 0.918 360.0 360.0 21.2 89.3 23.1 -4.0 3.8 154 153 A G 0 0 39 -54,-0.2 -51,-0.6 -10,-0.1 -1,-0.1 0.411 360.0 360.0-126.0 360.0 22.9 -2.1 7.1