==== 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 STORAGE 15-JUN-94 1MLU . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR 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) . 8215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 81.2 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 . 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 . 97 63.0 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 1 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 79 0, 0.0 2,-0.4 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 166.6 24.5 9.9 -9.8 2 1 A V - 0 0 124 0, 0.0 2,-0.3 0, 0.0 79,-0.1 -0.985 360.0-147.3-143.0 122.3 27.1 12.1 -11.4 3 2 A L - 0 0 10 -2,-0.4 2,-0.1 77,-0.1 128,-0.0 -0.741 24.1-123.4 -78.8 150.8 28.5 15.3 -10.3 4 3 A S > - 0 0 64 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.390 28.5-106.8 -82.9 168.3 29.5 17.8 -12.9 5 4 A E H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.853 120.9 57.5 -62.5 -37.4 33.1 19.1 -13.0 6 5 A G H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 106.3 48.8 -61.9 -35.4 32.0 22.4 -11.5 7 6 A E H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 109.9 50.9 -66.1 -49.5 30.5 20.6 -8.5 8 7 A W H X S+ 0 0 17 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.875 107.6 55.4 -53.9 -38.6 33.7 18.6 -8.0 9 8 A Q H X S+ 0 0 129 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.907 106.7 48.7 -63.6 -43.3 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 0.883 113.8 47.7 -61.7 -39.7 33.5 23.4 -5.3 11 10 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 114.9 44.5 -67.1 -39.7 34.0 20.2 -3.2 12 11 A L H X S+ 0 0 44 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.904 107.8 59.6 -83.3 -12.4 37.8 20.2 -3.8 13 12 A H H X S+ 0 0 89 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.926 111.9 37.8 -81.0 -40.3 38.1 23.9 -3.2 14 13 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-0.4 0.916 112.7 57.7 -79.6 -28.7 36.7 23.6 0.4 15 14 A W H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.852 98.3 61.4 -66.2 -30.0 38.5 20.3 1.0 16 15 A A H < S+ 0 0 54 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.936 106.3 47.3 -65.6 -26.5 41.9 22.0 0.2 17 16 A K H >< S+ 0 0 85 -4,-1.0 3,-1.2 -3,-0.4 -1,-0.2 0.870 107.9 53.3 -79.5 -46.0 41.1 24.3 3.2 18 17 A V H >< S+ 0 0 1 -4,-1.9 3,-2.2 1,-0.2 7,-0.3 0.881 103.3 60.6 -50.5 -42.2 40.2 21.3 5.5 19 18 A E G >< S+ 0 0 80 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.647 85.6 74.0 -66.1 -10.0 43.6 19.8 4.6 20 19 A A G < S+ 0 0 91 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.655 118.3 15.9 -70.9 -22.7 45.4 22.8 6.1 21 20 A D G <> S+ 0 0 67 -3,-2.2 4,-2.2 -4,-0.2 5,-0.3 -0.393 72.1 164.4-145.6 78.4 44.4 21.3 9.5 22 21 A V H <> S+ 0 0 40 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 0.930 77.0 49.6 -68.3 -39.3 43.3 17.7 9.2 23 22 A A H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 110.8 49.5 -66.5 -42.2 43.6 16.7 12.8 24 23 A G H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 114.5 44.4 -62.4 -44.3 41.5 19.8 14.0 25 24 A H H X S+ 0 0 2 -4,-2.2 4,-2.1 -7,-0.3 -1,-0.2 0.868 111.8 54.3 -65.8 -47.7 38.8 19.1 11.5 26 25 A G H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.3 5,-0.3 0.885 111.0 45.8 -49.4 -50.9 38.9 15.4 12.4 27 26 A Q H X S+ 0 0 37 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.937 112.8 49.3 -56.9 -57.0 38.4 16.1 16.1 28 27 A D H X S+ 0 0 58 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.867 113.1 47.2 -47.7 -49.0 35.5 18.7 15.5 29 28 A I H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.950 113.2 46.1 -63.1 -44.5 33.7 16.3 13.2 30 29 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.949 115.1 47.7 -69.9 -32.4 33.9 13.2 15.5 31 30 A I H X S+ 0 0 7 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.901 110.6 51.2 -71.9 -42.5 32.9 15.2 18.5 32 31 A R H X S+ 0 0 80 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.975 111.7 48.9 -60.2 -38.3 30.0 16.8 16.6 33 32 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.3 7,-0.2 0.893 113.4 45.3 -63.0 -52.7 28.9 13.4 15.6 34 33 A F H < S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.800 114.2 48.0 -63.4 -39.7 29.1 11.9 19.2 35 34 A K H < S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.890 118.3 40.5 -66.1 -50.3 27.4 14.9 20.8 36 35 A S H < S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.816 133.5 20.8 -64.3 -34.9 24.6 14.8 18.3 37 36 A H >< + 0 0 30 -4,-2.5 3,-2.1 -5,-0.3 4,-0.3 -0.480 66.4 178.0-138.3 85.2 24.2 11.1 18.1 38 37 A P T >> S+ 0 0 79 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.659 74.7 72.0 -66.5 -17.9 25.7 9.5 21.2 39 38 A E H >> S+ 0 0 75 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.907 89.1 63.5 -66.7 -24.8 24.7 6.0 20.1 40 39 A T H X4 S+ 0 0 4 -3,-2.1 3,-1.2 1,-0.3 4,-0.4 0.844 90.4 65.6 -69.8 -25.8 27.5 6.2 17.5 41 40 A L H X4 S+ 0 0 18 -3,-1.1 3,-1.6 -4,-0.3 -1,-0.3 0.848 88.4 68.9 -68.0 -19.5 30.1 6.5 20.2 42 41 A E H << S+ 0 0 138 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.862 89.0 65.2 -70.6 -20.0 29.3 2.9 21.3 43 42 A K T << S+ 0 0 79 -3,-1.2 2,-1.2 -4,-0.6 -1,-0.3 0.752 87.4 73.8 -77.3 -16.5 30.8 1.6 18.1 44 43 A F X> - 0 0 73 -3,-1.6 3,-1.8 -4,-0.4 4,-1.5 -0.679 61.5-174.2 -99.5 93.3 34.2 2.8 19.0 45 44 A D T 34 S+ 0 0 110 -2,-1.2 4,-0.2 1,-0.3 3,-0.2 0.874 83.6 56.6 -58.3 -25.8 35.5 0.4 21.6 46 45 A R T 34 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.801 121.3 26.2 -85.1 3.0 38.6 2.4 22.2 47 46 A F T X4 S+ 0 0 2 -3,-1.8 3,-2.2 -6,-0.2 -1,-0.2 0.280 82.2 109.6-125.0 -35.7 36.6 5.6 23.0 48 47 A K T 3< S+ 0 0 100 -4,-1.5 -1,-0.1 1,-0.2 -3,-0.1 0.675 75.4 60.8 -9.0 -56.8 33.3 4.4 24.3 49 48 A H T 3 S+ 0 0 123 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.413 70.6 116.6 -61.5 -18.2 34.2 5.6 27.8 50 49 A L < - 0 0 18 -3,-2.2 3,-0.1 1,-0.1 -3,-0.0 -0.534 40.5-177.7 -59.2 127.7 34.7 9.2 27.1 51 50 A K + 0 0 170 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.771 53.9 30.8-102.3 -28.7 32.0 11.1 29.0 52 51 A T S >> S- 0 0 69 1,-0.1 4,-2.3 0, 0.0 3,-0.6 -0.916 75.8-110.4-129.6 175.0 32.4 14.8 28.1 53 52 A E H 3> S+ 0 0 74 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.837 119.1 55.5 -70.8 -28.1 33.5 17.0 25.3 54 53 A A H 3> S+ 0 0 69 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.866 106.9 48.7 -70.8 -39.2 36.4 18.0 27.3 55 54 A E H <> S+ 0 0 84 -3,-0.6 4,-0.7 2,-0.2 3,-0.3 0.910 112.7 49.6 -65.2 -35.2 37.5 14.3 27.6 56 55 A M H >< S+ 0 0 13 -4,-2.3 3,-1.4 1,-0.3 7,-0.2 0.959 107.5 53.9 -69.1 -38.8 37.0 13.9 23.9 57 56 A K H 3< S+ 0 0 100 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.747 110.8 47.5 -64.8 -34.3 39.0 17.0 23.1 58 57 A A H 3< S+ 0 0 78 -4,-1.0 2,-0.5 -3,-0.3 -1,-0.3 0.572 85.3 107.5 -90.4 5.9 41.9 15.6 25.1 59 58 A S S+ 0 0 111 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.832 90.1 55.2 -76.7 -22.1 44.8 11.5 21.4 61 60 A D H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.819 106.8 49.0 -75.7 -41.8 43.2 8.3 20.1 62 61 A L H > S+ 0 0 0 2,-0.2 4,-2.3 -6,-0.2 5,-0.2 0.946 111.8 50.2 -61.8 -35.9 40.0 10.1 19.1 63 62 A K H X S+ 0 0 54 -4,-1.8 4,-2.0 1,-0.3 -2,-0.2 0.948 110.4 50.1 -69.4 -36.7 42.1 12.7 17.3 64 63 A K H X S+ 0 0 101 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.918 109.3 50.8 -65.1 -44.7 44.0 9.9 15.5 65 64 A G H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.879 108.4 52.9 -61.4 -34.8 40.8 8.2 14.4 66 65 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.890 109.6 47.2 -65.1 -44.4 39.5 11.5 13.0 67 66 A V H X S+ 0 0 45 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.899 112.2 51.2 -63.5 -45.4 42.7 12.0 10.9 68 67 A T H X S+ 0 0 97 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.954 113.5 44.7 -56.1 -41.6 42.4 8.3 9.7 69 68 A A H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.954 115.6 45.6 -73.2 -40.4 38.8 8.8 8.6 70 69 A L H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.828 110.2 53.4 -72.6 -40.1 39.2 12.2 7.0 71 70 A T H X S+ 0 0 83 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.890 111.2 46.9 -57.8 -47.3 42.4 11.1 5.1 72 71 A A H X S+ 0 0 46 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.946 114.0 47.1 -62.7 -38.8 40.5 8.1 3.7 73 72 A L H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.934 109.1 54.8 -66.0 -45.0 37.5 10.3 2.7 74 73 A G H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.879 106.1 52.8 -54.9 -37.4 39.8 12.9 1.2 75 74 A A H < S+ 0 0 48 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.954 109.6 48.8 -72.8 -23.9 41.3 10.2 -1.0 76 75 A I H ><>S+ 0 0 8 -4,-1.8 3,-1.6 1,-0.2 5,-0.5 0.959 110.7 48.6 -78.3 -44.9 37.9 9.2 -2.2 77 76 A L H ><5S+ 0 0 3 -4,-2.5 3,-2.4 1,-0.3 -1,-0.2 0.917 104.0 60.3 -63.6 -34.7 36.7 12.7 -3.1 78 77 A K T 3<5S+ 0 0 105 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.625 94.9 64.3 -68.1 -20.0 39.9 13.4 -5.0 79 78 A K T X 5S- 0 0 76 -3,-1.6 3,-2.0 -4,-0.4 -1,-0.3 0.431 98.7-142.6 -70.8 -23.7 39.0 10.5 -7.3 80 79 A K T < 5S- 0 0 66 -3,-2.4 -3,-0.1 1,-0.3 -2,-0.1 0.864 72.9 -33.4 65.0 39.8 35.9 12.5 -8.4 81 80 A G T 3 + 0 0 4 -2,-1.5 4,-2.2 1,-0.1 3,-0.4 0.174 18.9 119.3-117.1 13.3 36.5 5.4 -6.4 84 83 A E H > S+ 0 0 116 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.957 80.3 46.7 -51.4 -40.0 35.5 1.8 -6.7 85 84 A A H 4 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.834 112.4 49.8 -70.5 -41.6 38.9 0.5 -5.6 86 85 A E H > S+ 0 0 59 -3,-0.4 4,-0.7 1,-0.2 -1,-0.3 0.787 108.9 53.7 -59.0 -37.1 39.1 2.8 -2.7 87 86 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 -3,-0.4 5,-0.3 0.813 92.7 73.3 -71.6 -23.3 35.6 1.9 -1.5 88 87 A K H X S+ 0 0 147 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.914 100.6 37.7 -61.4 -50.6 36.1 -1.9 -1.4 89 88 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.860 118.0 53.2 -72.4 -29.9 38.3 -2.3 1.7 90 89 A L H X S+ 0 0 36 -4,-0.7 4,-2.2 2,-0.2 5,-0.2 0.924 109.5 46.0 -72.2 -38.0 36.4 0.4 3.4 91 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.4 0.883 111.8 53.6 -72.6 -37.4 33.0 -1.1 2.8 92 91 A Q H X>S+ 0 0 117 -4,-2.1 4,-2.3 -5,-0.3 5,-0.7 0.945 112.5 41.3 -64.3 -49.1 34.3 -4.5 3.9 93 92 A S H X>S+ 0 0 35 -4,-2.4 5,-2.4 1,-0.2 4,-1.2 0.954 117.3 46.9 -70.0 -29.8 35.7 -3.4 7.3 94 93 A H H <5S+ 0 0 54 -4,-2.2 6,-2.6 -5,-0.2 5,-0.2 0.823 120.0 39.5 -79.6 -31.8 32.7 -1.1 8.1 95 94 A A H <5S+ 0 0 3 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.934 131.3 21.5 -80.9 -36.8 30.2 -3.7 7.2 96 95 A T H <5S+ 0 0 80 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.882 131.7 31.0-101.1 -40.6 31.8 -6.9 8.6 97 96 A K T <> - 0 0 29 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.206 21.6-115.8 -74.8 149.3 24.7 1.0 9.6 102 101 A I H >> S+ 0 0 27 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.844 115.2 66.7 -51.9 -33.7 24.2 3.2 6.6 103 102 A K H 3> S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.856 96.1 54.2 -56.1 -40.0 22.2 5.5 8.9 104 103 A Y H <> S+ 0 0 52 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.770 104.2 54.6 -64.0 -32.1 25.5 6.3 10.9 105 104 A L H < + 0 0 28 -4,-2.4 3,-2.0 -5,-0.2 4,-0.3 -0.235 63.4 150.1-126.3 60.6 34.6 27.9 6.2 121 120 A P G > S+ 0 0 88 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.860 75.5 53.8 -63.7 -35.6 31.6 30.2 5.6 122 121 A G G 3 S+ 0 0 72 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.744 118.1 33.8 -76.4 -18.6 33.2 32.0 2.8 123 122 A N G < S+ 0 0 58 -3,-2.0 -1,-0.3 -7,-0.2 -109,-0.1 0.079 113.4 63.9-112.6 6.3 33.9 28.9 0.8 124 123 A F < + 0 0 3 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 -0.222 65.6 142.4-128.4 60.9 30.8 27.0 1.9 125 124 A G S > S- 0 0 42 -3,-0.2 4,-2.7 4,-0.0 5,-0.3 -0.123 71.0 -73.3 -80.3-168.0 27.9 29.0 0.6 126 125 A A H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.840 130.3 47.2 -63.2 -44.0 24.7 27.3 -0.7 127 126 A D H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 114.2 47.6 -68.2 -38.3 26.1 26.0 -4.0 128 127 A A H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.885 112.8 48.6 -68.7 -38.1 29.3 24.6 -2.4 129 128 A Q H X S+ 0 0 71 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.915 110.8 51.4 -65.8 -41.8 27.2 22.9 0.4 130 129 A G H X S+ 0 0 38 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.939 111.5 47.7 -58.9 -41.6 24.8 21.4 -2.3 131 130 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 112.4 47.8 -67.6 -43.4 27.8 20.1 -4.1 132 131 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.911 111.3 51.7 -61.9 -43.4 29.4 18.6 -0.9 133 132 A N H X S+ 0 0 54 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.938 110.3 49.1 -58.1 -43.9 26.0 17.0 -0.0 134 133 A K H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.5 50.4 -59.8 -41.5 25.8 15.5 -3.5 135 134 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.892 113.1 45.9 -67.5 -36.6 29.4 14.1 -3.2 136 135 A L H X S+ 0 0 2 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.887 111.0 51.3 -76.6 -29.8 28.6 12.5 0.2 137 136 A E H X S+ 0 0 79 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.902 110.1 51.2 -68.3 -42.5 25.2 11.1 -1.1 138 137 A L H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.934 110.9 48.0 -56.9 -52.3 27.2 9.6 -4.0 139 138 A F H X S+ 0 0 23 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.965 113.4 47.6 -51.6 -46.5 29.7 8.1 -1.5 140 139 A R H X S+ 0 0 36 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.869 111.5 50.2 -65.4 -37.0 26.8 6.7 0.7 141 140 A K H X S+ 0 0 96 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.955 112.2 45.9 -73.9 -32.0 25.0 5.2 -2.2 142 141 A D H X S+ 0 0 32 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 114.6 48.3 -75.9 -33.5 28.1 3.4 -3.6 143 142 A I H X S+ 0 0 3 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.884 109.8 52.1 -70.9 -45.7 29.0 2.1 -0.1 144 143 A A H X S+ 0 0 19 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.895 109.1 50.6 -57.7 -39.8 25.3 0.9 0.5 145 144 A A H X S+ 0 0 39 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.920 111.6 48.5 -66.5 -35.3 25.5 -1.0 -2.8 146 145 A K H X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.882 107.4 54.4 -69.1 -43.0 28.8 -2.6 -1.7 147 146 A Y H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.6 0.901 106.7 52.4 -50.5 -51.3 27.4 -3.5 1.7 148 147 A K H ><5S+ 0 0 142 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.959 109.6 48.2 -55.1 -39.7 24.5 -5.4 -0.1 149 148 A E H 3<5S+ 0 0 150 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.3 54.5 -70.1 -33.2 27.1 -7.3 -2.2 150 149 A L H 3<5S- 0 0 75 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.509 123.0-102.4 -80.2 -6.6 29.0 -8.1 1.0 151 150 A G T <<5S+ 0 0 74 -3,-1.5 2,-0.4 -4,-0.6 -3,-0.2 0.592 84.0 115.2 100.3 10.8 26.0 -9.6 2.8 152 151 A Y S