==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 15-JUN-94 1MLG . 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) . 8162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 79.9 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 . 97 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 78 0, 0.0 2,-0.4 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 178.9 24.5 9.9 -9.6 2 1 A V - 0 0 122 0, 0.0 2,-0.3 0, 0.0 79,-0.1 -0.994 360.0-146.3-152.8 120.6 27.1 11.9 -11.3 3 2 A L - 0 0 11 -2,-0.4 2,-0.1 77,-0.1 128,-0.0 -0.662 22.5-124.6 -83.9 147.5 28.6 15.2 -10.3 4 3 A S > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.491 30.7-104.4 -75.8 179.0 29.6 17.7 -13.0 5 4 A E H > S+ 0 0 109 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.788 121.2 57.8 -71.2 -36.0 33.2 19.0 -12.9 6 5 A G H > S+ 0 0 31 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.870 106.9 47.8 -59.5 -45.8 32.0 22.4 -11.5 7 6 A E H > S+ 0 0 51 -3,-0.4 4,-2.4 2,-0.2 3,-0.3 0.957 110.6 51.1 -60.8 -46.5 30.4 20.6 -8.5 8 7 A W H X S+ 0 0 15 -4,-2.2 4,-3.0 1,-0.3 5,-0.3 0.905 107.8 55.5 -57.9 -34.1 33.6 18.5 -8.0 9 8 A Q H X S+ 0 0 118 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.3 0.888 106.0 48.8 -65.1 -44.6 35.5 21.9 -8.1 10 9 A L H X S+ 0 0 66 -4,-1.7 4,-1.7 -3,-0.3 5,-0.3 0.961 113.5 48.3 -62.3 -32.8 33.4 23.3 -5.3 11 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.955 113.9 44.1 -75.8 -42.3 34.0 20.2 -3.2 12 11 A L H X S+ 0 0 46 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.845 107.5 60.8 -81.3 -11.9 37.8 20.1 -3.7 13 12 A H H X S+ 0 0 89 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.942 111.2 37.0 -79.1 -44.2 38.2 23.8 -3.1 14 13 A V H >X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 3,-0.7 0.902 112.8 59.8 -77.1 -25.4 36.8 23.7 0.4 15 14 A W H 3X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.850 97.8 59.0 -66.2 -34.4 38.5 20.3 1.1 16 15 A A H 3< S+ 0 0 52 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.811 104.7 51.0 -61.5 -33.4 41.8 22.0 0.3 17 16 A K H X< S+ 0 0 81 -4,-0.8 3,-1.3 -3,-0.7 4,-0.3 0.865 107.7 52.1 -67.7 -47.3 41.0 24.3 3.2 18 17 A V H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 7,-0.3 0.861 102.0 61.0 -50.8 -47.4 40.2 21.3 5.5 19 18 A E T 3< S+ 0 0 82 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.594 85.4 75.3 -60.1 -12.5 43.6 19.8 4.6 20 19 A A T < S+ 0 0 91 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.774 119.1 12.3 -70.0 -22.0 45.4 22.8 6.1 21 20 A D S <> S+ 0 0 68 -3,-1.9 4,-1.8 -4,-0.3 5,-0.3 -0.524 72.4 165.6-149.2 77.6 44.5 21.3 9.5 22 21 A V H > S+ 0 0 36 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.932 76.8 50.8 -64.8 -42.8 43.3 17.7 9.2 23 22 A A H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 110.5 49.4 -66.6 -31.0 43.6 16.7 12.9 24 23 A G H > S+ 0 0 10 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.807 113.8 45.1 -71.8 -45.8 41.6 19.8 14.1 25 24 A H H X S+ 0 0 2 -4,-1.8 4,-2.1 -7,-0.3 -1,-0.3 0.803 111.0 54.2 -62.1 -46.6 38.8 19.2 11.6 26 25 A G H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.932 110.1 47.2 -57.7 -35.1 38.7 15.5 12.4 27 26 A Q H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.967 112.7 48.5 -67.7 -47.8 38.3 16.3 16.2 28 27 A D H X S+ 0 0 64 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.866 113.7 47.2 -54.9 -48.9 35.5 18.9 15.5 29 28 A I H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.933 113.5 45.2 -62.1 -46.5 33.7 16.5 13.3 30 29 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.923 113.9 49.9 -69.9 -31.9 33.8 13.4 15.6 31 30 A I H X S+ 0 0 6 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.931 110.1 50.7 -72.3 -35.2 32.9 15.4 18.6 32 31 A R H X S+ 0 0 72 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.983 112.4 47.8 -69.4 -34.8 29.9 16.9 16.7 33 32 A L H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 7,-0.2 0.923 113.7 45.7 -69.4 -47.5 28.8 13.5 15.7 34 33 A F H < S+ 0 0 4 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.891 115.8 46.6 -68.6 -28.2 29.2 12.0 19.3 35 34 A K H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.976 118.6 40.8 -81.9 -31.8 27.4 14.9 20.9 36 35 A S H < S+ 0 0 47 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.787 133.2 20.4 -80.3 -39.8 24.6 14.9 18.3 37 36 A H >< + 0 0 31 -4,-2.9 3,-2.3 -5,-0.3 4,-0.4 -0.480 68.4 179.4-132.7 88.6 24.2 11.2 18.1 38 37 A P G >> S+ 0 0 79 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.683 74.4 72.2 -66.4 -23.9 25.7 9.6 21.2 39 38 A E G >4 S+ 0 0 73 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.914 88.4 64.1 -62.1 -26.1 24.8 6.1 20.1 40 39 A T G X4 S+ 0 0 4 -3,-2.3 3,-2.0 1,-0.3 4,-0.4 0.874 90.0 65.9 -67.6 -27.8 27.5 6.3 17.5 41 40 A L G X4 S+ 0 0 20 -3,-1.0 3,-1.5 -4,-0.4 -1,-0.3 0.816 88.8 68.2 -60.8 -30.2 30.1 6.6 20.2 42 41 A E G << S+ 0 0 137 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.519 86.0 68.6 -62.1 -22.8 29.3 3.0 21.3 43 42 A K G < S+ 0 0 83 -3,-2.0 2,-1.1 -4,-0.3 -1,-0.3 0.742 86.3 77.1 -73.1 -12.8 30.7 1.6 18.1 44 43 A F X> - 0 0 48 -3,-1.5 4,-1.2 -4,-0.4 3,-0.9 -0.635 57.3-175.3-101.8 102.1 34.2 2.6 19.2 45 44 A D T 34 S+ 0 0 124 -2,-1.1 3,-0.4 1,-0.3 4,-0.2 0.856 82.9 61.6 -65.3 -17.0 35.6 0.2 21.7 46 45 A R T 34 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.874 122.4 12.4 -80.5 -34.9 38.6 2.4 22.1 47 46 A F T X4 S+ 0 0 1 -3,-0.9 3,-1.8 -6,-0.2 -1,-0.2 0.112 84.9 116.8-126.9 4.4 36.9 5.6 23.3 48 47 A K T 3< S+ 0 0 99 -4,-1.2 -1,-0.1 -3,-0.4 -2,-0.1 0.597 73.6 62.3 -39.3 -39.8 33.4 4.5 24.2 49 48 A H T 3 S+ 0 0 123 -4,-0.2 -1,-0.2 -3,-0.2 2,-0.2 0.516 71.5 117.8 -70.2 -12.2 34.1 5.4 27.8 50 49 A L < - 0 0 19 -3,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.449 40.4-176.8 -59.0 126.9 34.7 9.1 27.1 51 50 A K + 0 0 167 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.710 54.3 33.6 -99.7 -31.4 32.0 11.0 29.0 52 51 A T S > S- 0 0 68 1,-0.1 4,-2.5 0, 0.0 3,-0.5 -0.932 76.4-111.9-127.0 165.2 32.4 14.7 28.2 53 52 A E H > S+ 0 0 70 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.883 118.3 56.6 -61.3 -26.8 33.5 16.9 25.3 54 53 A A H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.876 106.0 48.6 -71.6 -38.5 36.6 17.8 27.3 55 54 A E H >> S+ 0 0 78 -3,-0.5 4,-0.8 2,-0.2 3,-0.5 0.951 112.2 50.3 -64.1 -36.1 37.6 14.2 27.6 56 55 A M H >< S+ 0 0 12 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.947 108.5 52.0 -68.2 -39.5 37.0 13.8 23.8 57 56 A K H 3< S+ 0 0 109 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.770 111.3 47.1 -63.0 -41.8 39.1 16.8 23.1 58 57 A A H << S+ 0 0 76 -4,-1.2 2,-0.6 -3,-0.5 -1,-0.3 0.518 86.0 106.9 -81.1 -1.0 41.9 15.5 25.2 59 58 A S S+ 0 0 109 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.718 88.5 56.5 -71.4 -38.2 44.8 11.4 21.4 61 60 A D H > S+ 0 0 59 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.804 106.2 50.2 -57.8 -46.8 43.3 8.2 20.1 62 61 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 111.2 48.9 -58.3 -41.9 40.2 10.1 19.1 63 62 A K H X S+ 0 0 50 -4,-1.7 4,-1.7 1,-0.3 -2,-0.2 0.874 110.1 51.3 -64.9 -40.0 42.2 12.7 17.2 64 63 A K H X S+ 0 0 101 -4,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.850 109.5 49.7 -61.8 -50.9 44.3 10.0 15.5 65 64 A H H X S+ 0 0 46 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.812 106.0 56.4 -51.4 -49.8 41.2 8.3 14.3 66 65 A G H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.876 108.9 47.1 -50.2 -44.1 39.8 11.5 13.0 67 66 A V H X S+ 0 0 49 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.900 112.1 50.5 -64.9 -43.6 42.9 12.0 10.9 68 67 A T H X S+ 0 0 93 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.938 114.1 44.4 -58.3 -47.0 42.7 8.4 9.6 69 68 A A H X S+ 0 0 33 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.932 114.9 46.2 -69.3 -38.2 39.1 8.8 8.7 70 69 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.785 109.5 55.2 -72.5 -38.3 39.4 12.2 7.0 71 70 A T H X S+ 0 0 81 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.866 109.1 47.1 -59.5 -44.4 42.4 11.1 5.1 72 71 A A H X S+ 0 0 43 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.910 113.3 48.9 -63.3 -40.4 40.5 8.2 3.7 73 72 A L H X S+ 0 0 17 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.924 109.6 52.7 -64.4 -39.3 37.5 10.4 2.8 74 73 A G H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.919 106.2 52.8 -65.5 -35.0 39.8 12.9 1.2 75 74 A A H < S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.946 111.0 48.4 -72.0 -24.2 41.4 10.2 -1.0 76 75 A I H >< S+ 0 0 8 -4,-1.7 3,-2.0 1,-0.2 5,-0.5 0.953 109.9 49.4 -79.9 -44.6 37.9 9.2 -2.2 77 76 A L H >< S+ 0 0 3 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.884 104.2 59.5 -63.0 -37.3 36.8 12.7 -3.0 78 77 A K T 3< S+ 0 0 104 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.519 93.7 66.9 -65.9 -19.5 39.9 13.4 -5.0 79 78 A K T X S- 0 0 78 -3,-2.0 3,-2.2 -4,-0.2 -1,-0.3 0.418 97.8-141.9 -70.3 -23.3 39.0 10.5 -7.2 80 79 A K T < S- 0 0 66 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.865 73.2 -35.4 64.7 40.4 35.9 12.5 -8.4 81 80 A G T 3 S+ 0 0 24 -5,-0.5 2,-1.0 1,-0.1 -1,-0.3 0.172 119.8 100.6 101.3 -17.3 33.6 9.5 -8.6 82 81 A H < + 0 0 125 -3,-2.2 3,-0.3 1,-0.2 4,-0.1 -0.307 45.0 120.0 -97.3 71.0 36.2 6.9 -9.8 83 82 A H > + 0 0 6 -2,-1.0 4,-2.3 1,-0.2 3,-0.2 0.078 18.2 122.7-120.1 8.0 36.6 5.4 -6.4 84 83 A E H > S+ 0 0 115 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.896 79.7 47.5 -32.5 -59.5 35.7 1.8 -6.7 85 84 A A H 4 S+ 0 0 62 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.871 111.7 48.9 -54.9 -53.4 39.0 0.6 -5.5 86 85 A E H > S+ 0 0 60 -3,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.792 109.3 54.2 -52.9 -41.2 39.2 2.8 -2.6 87 86 A L H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.741 93.8 72.8 -66.5 -30.5 35.7 1.9 -1.5 88 87 A K H X S+ 0 0 127 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.931 101.4 35.0 -52.7 -72.3 36.3 -1.9 -1.5 89 88 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.880 119.2 55.5 -54.0 -29.5 38.4 -2.4 1.6 90 89 A L H X S+ 0 0 37 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.923 108.1 45.5 -70.9 -42.7 36.4 0.4 3.3 91 90 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 5,-0.3 0.886 111.4 54.7 -67.5 -37.3 33.1 -1.3 2.7 92 91 A Q H X>S+ 0 0 113 -4,-2.0 4,-2.6 -5,-0.3 5,-0.6 0.937 110.7 41.3 -63.8 -52.7 34.4 -4.6 3.8 93 92 A S H X>S+ 0 0 39 -4,-2.2 5,-2.2 1,-0.2 4,-1.3 0.941 117.5 48.4 -63.9 -36.7 35.7 -3.5 7.3 94 93 A H H <5S+ 0 0 47 -4,-2.1 6,-2.5 -5,-0.3 -1,-0.2 0.764 116.8 42.2 -74.5 -29.2 32.7 -1.3 8.0 95 94 A A H <5S+ 0 0 3 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.888 129.8 20.4 -84.7 -32.3 30.2 -4.0 7.0 96 95 A T H <5S+ 0 0 79 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.918 132.0 30.1-116.4 -12.5 31.7 -7.1 8.6 97 96 A K T <> - 0 0 23 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.357 23.1-112.8 -56.7 161.3 24.7 1.1 9.4 102 101 A I H 3> S+ 0 0 26 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.859 116.1 65.3 -67.2 -27.3 24.0 3.5 6.5 103 102 A K H 3> S+ 0 0 115 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.871 98.6 52.1 -65.3 -34.1 22.2 5.7 9.0 104 103 A Y H <> S+ 0 0 52 -3,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.814 106.1 52.8 -70.3 -37.1 25.4 6.4 10.9 105 104 A L H X S+ 0 0 20 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.2 0.795 107.6 53.0 -64.0 -36.8 27.2 7.4 7.7 106 105 A E H X S+ 0 0 75 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.872 107.6 52.5 -59.0 -46.9 24.3 9.8 7.2 107 106 A F H X S+ 0 0 17 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.895 110.3 45.6 -54.7 -49.5 25.0 11.2 10.7 108 107 A I H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.846 107.8 58.2 -67.2 -28.8 28.7 11.8 10.1 109 108 A S H X S+ 0 0 4 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.938 107.1 49.0 -61.6 -39.0 27.9 13.4 6.7 110 109 A E H X S+ 0 0 98 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.909 110.5 50.3 -68.0 -33.3 25.7 15.9 8.6 111 110 A A H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.915 109.4 51.1 -75.6 -33.3 28.5 16.5 11.1 112 111 A I H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.964 111.5 47.0 -67.5 -42.4 30.9 17.1 8.2 113 112 A I H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.966 111.2 52.9 -68.4 -31.5 28.6 19.6 6.6 114 113 A H H X S+ 0 0 72 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.910 111.7 43.5 -68.7 -46.6 28.0 21.4 10.0 115 114 A V H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.907 113.2 50.7 -67.5 -44.8 31.7 21.9 10.7 116 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.931 111.1 50.9 -60.3 -34.5 32.6 23.0 7.2 117 116 A H H < S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.891 114.1 43.2 -68.6 -42.5 29.8 25.5 7.4 118 117 A S H < S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 123.4 34.8 -66.8 -48.4 31.0 26.8 10.7 119 118 A R H < S+ 0 0 89 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.701 128.0 31.1 -76.1 -34.2 34.7 27.0 9.9 120 119 A H >X + 0 0 29 -4,-2.4 3,-2.2 -5,-0.3 4,-0.6 -0.228 61.4 150.4-125.3 57.1 34.6 27.9 6.2 121 120 A P G >4 S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.859 75.6 56.6 -62.0 -24.3 31.5 30.1 5.5 122 121 A G G 34 S+ 0 0 71 1,-0.3 3,-0.2 -3,-0.1 -5,-0.1 0.649 116.3 33.2 -80.8 -24.8 33.2 31.9 2.7 123 122 A N G <4 S+ 0 0 59 -3,-2.2 -1,-0.3 -7,-0.2 -109,-0.1 0.169 114.3 63.9-112.3 16.3 34.0 28.8 0.8 124 123 A F << + 0 0 3 -3,-0.8 -1,-0.1 -4,-0.6 -2,-0.1 -0.386 65.6 145.7-138.9 52.6 30.9 27.0 1.8 125 124 A G > - 0 0 38 -3,-0.2 4,-2.7 1,-0.0 5,-0.3 -0.067 68.8 -76.3 -74.8-174.6 28.0 28.8 0.5 126 125 A A H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 130.5 47.8 -56.9 -47.8 24.8 27.2 -0.7 127 126 A D H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 113.8 46.9 -62.4 -41.4 26.1 26.0 -4.0 128 127 A A H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.874 112.4 50.6 -69.0 -32.6 29.3 24.5 -2.4 129 128 A Q H X S+ 0 0 71 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.907 109.3 51.1 -71.4 -34.0 27.2 22.8 0.3 130 129 A G H X S+ 0 0 39 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.912 111.5 47.9 -67.7 -40.4 24.9 21.4 -2.3 131 130 A A H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.906 112.0 48.4 -63.1 -47.6 27.9 20.0 -4.1 132 131 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.904 111.5 50.8 -58.1 -42.5 29.5 18.5 -0.9 133 132 A N H X S+ 0 0 54 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.870 108.6 52.1 -59.8 -46.8 26.2 16.9 -0.0 134 133 A K H X S+ 0 0 59 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.892 108.8 50.4 -53.4 -45.2 25.9 15.4 -3.5 135 134 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.892 112.9 45.8 -64.3 -35.1 29.4 13.9 -3.2 136 135 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.828 109.9 53.5 -76.8 -35.2 28.6 12.4 0.2 137 136 A E H X S+ 0 0 79 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.898 110.5 48.6 -61.1 -43.7 25.3 11.1 -1.1 138 137 A L H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.881 111.1 49.7 -57.6 -52.3 27.2 9.4 -3.9 139 138 A F H X S+ 0 0 27 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.957 114.2 45.3 -53.6 -45.3 29.7 8.0 -1.4 140 139 A R H X S+ 0 0 34 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.863 111.6 51.5 -64.5 -49.6 26.9 6.6 0.7 141 140 A K H X S+ 0 0 92 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.960 113.1 45.0 -56.1 -41.4 25.0 5.2 -2.3 142 141 A D H X S+ 0 0 45 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.895 114.1 48.4 -73.0 -36.0 28.0 3.4 -3.5 143 142 A I H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.885 109.1 54.9 -69.2 -35.9 28.9 2.1 -0.1 144 143 A A H X S+ 0 0 31 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.938 107.9 48.3 -64.2 -36.4 25.4 0.9 0.4 145 144 A A H X S+ 0 0 52 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.889 111.8 50.3 -70.8 -33.4 25.5 -1.1 -2.8 146 145 A K H X S+ 0 0 49 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 106.1 55.4 -68.5 -36.7 28.8 -2.6 -1.7 147 146 A Y H X>S+ 0 0 1 -4,-2.4 5,-2.5 2,-0.2 4,-0.5 0.931 107.5 50.8 -59.3 -45.5 27.3 -3.5 1.7 148 147 A K H ><5S+ 0 0 139 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.948 109.0 48.7 -62.3 -39.5 24.6 -5.4 -0.1 149 148 A E H 3<5S+ 0 0 137 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.831 111.9 51.8 -67.7 -34.4 27.0 -7.4 -2.3 150 149 A L H 3<5S- 0 0 73 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.494 121.3-107.3 -77.9 -13.4 29.0 -8.2 0.9 151 150 A G T <<5S+ 0 0 72 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.535 77.8 117.9 102.3 10.3 25.9 -9.5 2.7 152 151 A Y S