==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 20-JUL-93 2FAM . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: APLYSIA LIMACINA; . AUTHOR E.CONTI,C.MOSER,M.RIZZI,A.MATTEVI,C.LIONETTI,A.CODA, . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 78.1 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 0 0 0 0 2 0 1 2 1 0 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 1 A S 0 0 66 0, 0.0 78,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 170.1 69.7 -16.1 38.8 2 2 A L - 0 0 4 76,-2.6 79,-0.1 1,-0.1 2,-0.1 -0.538 360.0-105.5 -92.1 166.9 67.2 -18.2 37.0 3 3 A S > - 0 0 54 -2,-0.2 4,-3.4 1,-0.1 5,-0.3 -0.389 34.8-104.3 -82.7 167.9 68.0 -20.1 33.9 4 4 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.882 124.1 49.8 -62.3 -35.5 66.8 -18.9 30.5 5 5 A A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 112.9 46.3 -68.1 -40.7 64.1 -21.5 30.5 6 6 A E H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 111.9 50.0 -69.1 -42.5 63.0 -20.6 34.0 7 7 A A H X S+ 0 0 14 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.932 108.4 55.1 -63.3 -35.7 63.0 -16.9 33.3 8 8 A D H X S+ 0 0 104 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.906 107.7 47.9 -59.0 -44.3 61.0 -17.6 30.3 9 9 A L H X S+ 0 0 51 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.906 111.3 49.9 -63.2 -48.1 58.4 -19.4 32.3 10 10 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.939 111.4 50.0 -58.8 -41.5 58.2 -16.7 34.8 11 11 A G H X S+ 0 0 24 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.896 108.2 52.2 -63.8 -39.3 57.8 -14.1 32.0 12 12 A K H < S+ 0 0 142 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.885 111.6 46.1 -65.5 -37.9 55.1 -16.1 30.4 13 13 A S H < S+ 0 0 3 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.745 114.1 49.8 -76.2 -26.9 53.1 -16.3 33.6 14 14 A W H >X S+ 0 0 6 -4,-1.7 4,-2.9 -5,-0.2 3,-1.0 0.805 91.1 74.6 -80.8 -38.9 53.6 -12.6 34.4 15 15 A A H 3X S+ 0 0 58 -4,-2.2 4,-1.9 1,-0.3 -2,-0.1 0.916 95.0 50.5 -46.5 -52.6 52.6 -11.0 31.1 16 16 A P H 34 S+ 0 0 50 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.861 113.8 46.6 -56.1 -33.8 48.9 -11.5 31.6 17 17 A V H X4 S+ 0 0 0 -3,-1.0 3,-1.2 -4,-0.3 7,-0.3 0.925 113.7 46.8 -72.9 -45.7 49.1 -9.9 35.1 18 18 A F H >< S+ 0 0 56 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.763 93.4 79.3 -67.4 -23.6 51.1 -7.0 34.0 19 19 A A T 3< S+ 0 0 75 -4,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.759 104.0 35.3 -57.6 -28.7 48.9 -6.4 31.0 20 20 A N T <> S+ 0 0 106 -3,-1.2 4,-2.8 -4,-0.4 5,-0.4 -0.601 80.6 163.2-122.6 65.3 46.4 -4.7 33.3 21 21 A K H <> + 0 0 43 -3,-1.1 4,-2.4 -2,-0.2 5,-0.3 0.859 67.5 50.2 -52.5 -48.7 49.1 -3.2 35.6 22 22 A N H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.976 118.4 36.1 -59.9 -57.6 46.9 -0.6 37.3 23 23 A A H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.910 121.9 44.8 -64.7 -43.5 44.1 -2.9 38.3 24 24 A N H X S+ 0 0 17 -4,-2.8 4,-2.1 -7,-0.3 -1,-0.2 0.865 110.0 54.9 -73.3 -31.9 46.3 -5.9 39.0 25 25 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.4 5,-0.2 0.961 109.7 46.1 -63.7 -47.5 48.9 -3.9 40.9 26 26 A L H X S+ 0 0 30 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.959 112.7 52.8 -56.7 -49.4 46.2 -2.5 43.3 27 27 A D H X S+ 0 0 88 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.827 106.0 52.1 -55.1 -40.9 44.8 -6.1 43.7 28 28 A F H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.959 111.3 46.3 -65.3 -44.3 48.1 -7.6 44.6 29 29 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 112.8 50.4 -63.6 -44.3 48.7 -5.0 47.3 30 30 A V H X S+ 0 0 15 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.939 109.1 50.4 -58.1 -51.5 45.2 -5.4 48.6 31 31 A A H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.901 109.7 52.0 -55.2 -43.1 45.5 -9.3 48.8 32 32 A L H X S+ 0 0 17 -4,-2.1 4,-2.3 1,-0.2 7,-0.2 0.949 109.2 49.2 -60.2 -48.4 48.8 -9.0 50.7 33 33 A F H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.4 48.5 -62.3 -30.2 47.2 -6.7 53.2 34 34 A E H < S+ 0 0 122 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 116.2 39.3 -76.1 -41.1 44.3 -9.1 53.5 35 35 A K H < S+ 0 0 126 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.742 129.9 29.1 -77.7 -24.7 46.3 -12.3 54.0 36 36 A F >< - 0 0 51 -4,-2.3 3,-2.5 -5,-0.2 4,-0.4 -0.665 68.4-178.2-141.6 72.9 49.0 -10.8 56.2 37 37 A P G > S+ 0 0 97 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.806 76.3 68.0 -43.4 -41.3 47.5 -7.9 58.1 38 38 A D G > S+ 0 0 98 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.747 84.0 73.6 -55.6 -29.0 50.7 -7.0 59.7 39 39 A S G X S+ 0 0 17 -3,-2.5 3,-2.0 1,-0.2 4,-0.5 0.839 84.5 63.4 -59.5 -33.3 52.3 -5.9 56.5 40 40 A A G X S+ 0 0 9 -3,-1.3 3,-1.2 -4,-0.4 6,-0.3 0.802 90.5 70.3 -61.3 -25.6 50.3 -2.6 56.3 41 41 A N G < S+ 0 0 92 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.642 88.0 61.9 -67.5 -15.5 52.0 -1.5 59.4 42 42 A F G < S+ 0 0 68 -3,-2.0 2,-0.5 -4,-0.2 -1,-0.3 0.634 89.0 90.3 -81.8 -17.3 55.3 -1.1 57.6 43 43 A F <> - 0 0 55 -3,-1.2 4,-2.3 -4,-0.5 55,-0.0 -0.706 66.8-152.4 -89.4 133.6 53.8 1.5 55.4 44 44 A A T 4 S+ 0 0 73 -2,-0.5 3,-0.2 1,-0.2 -1,-0.2 0.959 100.5 41.2 -53.9 -60.9 53.9 5.1 56.4 45 45 A D T 4 S+ 0 0 51 1,-0.2 -1,-0.2 -3,-0.1 14,-0.1 0.765 123.2 38.7 -60.5 -33.3 50.7 5.9 54.5 46 46 A F T >4 S+ 0 0 0 -6,-0.3 3,-1.9 2,-0.1 -1,-0.2 0.560 75.3 124.7-100.1 -17.6 48.8 2.7 55.5 47 47 A K T 3< S+ 0 0 138 -4,-2.3 -6,-0.1 1,-0.2 3,-0.1 -0.263 87.5 7.5 -52.2 124.8 49.7 2.0 59.2 48 48 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 0, 0.0 2,-0.1 0.102 100.5 121.5 95.5 -30.2 46.5 1.7 61.2 49 49 A K < - 0 0 76 -3,-1.9 -1,-0.3 -9,-0.1 2,-0.1 -0.405 59.8-125.9 -70.4 145.2 44.1 1.8 58.2 50 50 A S > - 0 0 59 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.409 32.4-101.5 -80.7 171.3 41.7 -1.0 57.5 51 51 A V H > S+ 0 0 42 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.907 123.3 54.3 -59.6 -42.9 41.6 -2.6 54.0 52 52 A A H > S+ 0 0 72 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.910 108.9 48.1 -57.4 -44.5 38.6 -0.6 53.0 53 53 A D H 4 S+ 0 0 87 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.918 111.9 49.7 -61.0 -45.9 40.4 2.6 53.9 54 54 A I H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 6,-0.3 0.918 108.5 52.5 -60.2 -44.3 43.4 1.4 51.9 55 55 A K H 3< S+ 0 0 142 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.883 111.2 48.4 -58.1 -37.4 41.2 0.6 49.0 56 56 A A T 3< S+ 0 0 83 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.471 89.1 112.8 -82.2 -4.6 39.8 4.1 49.2 57 57 A S X - 0 0 16 -3,-1.5 3,-1.0 -4,-0.4 4,-0.4 -0.497 61.5-148.3 -77.4 136.4 43.1 5.8 49.4 58 58 A P T 3 S+ 0 0 123 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.597 99.3 64.4 -71.9 -8.2 44.5 8.1 46.7 59 59 A K T 3> S+ 0 0 97 1,-0.1 4,-1.9 2,-0.1 3,-0.3 0.687 81.0 80.3 -85.6 -20.5 48.0 6.8 47.8 60 60 A L H <> S+ 0 0 7 -3,-1.0 4,-3.1 -6,-0.3 5,-0.3 0.865 87.5 53.5 -50.9 -49.0 47.3 3.2 46.8 61 61 A R H > S+ 0 0 95 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.856 106.6 51.6 -60.7 -40.0 48.0 3.6 43.1 62 62 A D H > S+ 0 0 114 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.942 114.0 45.3 -64.4 -42.8 51.4 5.2 43.6 63 63 A V H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.962 113.9 44.3 -66.5 -53.2 52.4 2.4 45.9 64 64 A S H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.897 111.8 54.3 -62.1 -36.5 51.2 -0.6 43.9 65 65 A S H X S+ 0 0 29 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.898 106.4 50.6 -64.9 -39.3 52.6 0.8 40.6 66 66 A R H X S+ 0 0 148 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.889 111.6 51.0 -64.9 -35.1 56.1 1.3 42.0 67 67 A I H X S+ 0 0 48 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.949 112.9 42.5 -67.8 -48.2 55.8 -2.3 43.2 68 68 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.866 110.6 56.0 -66.8 -35.1 54.8 -3.7 39.8 69 69 A T H X S+ 0 0 72 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.912 112.1 43.9 -60.7 -42.3 57.2 -1.6 37.8 70 70 A R H X S+ 0 0 99 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.859 112.0 50.5 -70.2 -41.3 60.0 -3.1 39.9 71 71 A L H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.836 108.1 55.8 -66.6 -34.4 58.8 -6.7 39.8 72 72 A N H X S+ 0 0 25 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.910 106.1 50.2 -63.3 -43.7 58.5 -6.2 36.0 73 73 A E H X S+ 0 0 84 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.904 109.3 52.1 -62.1 -39.2 62.2 -5.3 36.0 74 74 A F H >X S+ 0 0 3 -4,-1.9 4,-1.0 1,-0.2 3,-0.8 0.944 109.5 48.0 -61.7 -47.6 63.1 -8.3 38.0 75 75 A V H 3< S+ 0 0 10 -4,-2.4 3,-0.5 1,-0.2 4,-0.2 0.902 109.9 53.6 -59.7 -42.8 61.2 -10.7 35.7 76 76 A N H 3< S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.664 120.5 30.3 -71.6 -11.9 62.9 -9.1 32.7 77 77 A N H X< S+ 0 0 25 -4,-0.9 3,-2.5 -3,-0.8 7,-0.3 0.331 81.9 113.1-124.7 2.9 66.4 -9.6 34.0 78 78 A A T 3< S+ 0 0 1 -4,-1.0 -76,-2.6 -3,-0.5 -2,-0.1 0.707 75.5 55.7 -52.5 -23.8 66.1 -12.7 36.1 79 79 A A T 3 S+ 0 0 46 -4,-0.2 2,-0.7 -78,-0.2 -1,-0.3 0.408 90.4 81.5 -95.0 8.8 68.3 -14.7 33.8 80 80 A N <> - 0 0 78 -3,-2.5 4,-2.6 1,-0.1 3,-0.4 -0.890 59.0-165.7-115.2 96.4 71.2 -12.3 34.1 81 81 A A H > S+ 0 0 57 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.846 89.0 62.0 -48.2 -32.1 73.2 -12.9 37.2 82 82 A G H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.952 109.1 33.6 -61.8 -55.9 74.8 -9.6 36.5 83 83 A K H > S+ 0 0 109 -3,-0.4 4,-3.0 -6,-0.2 -1,-0.2 0.830 114.0 62.1 -71.8 -31.8 71.8 -7.4 36.7 84 84 A M H X S+ 0 0 5 -4,-2.6 4,-3.9 -7,-0.3 5,-0.3 0.950 99.8 53.7 -59.3 -50.6 70.3 -9.5 39.4 85 85 A S H X S+ 0 0 86 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.934 113.6 41.4 -50.0 -53.7 73.2 -8.8 41.7 86 86 A A H X S+ 0 0 66 -4,-1.3 4,-2.0 2,-0.2 5,-0.3 0.927 118.1 47.4 -61.0 -46.0 72.8 -5.1 41.4 87 87 A M H X S+ 0 0 35 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.949 114.2 45.7 -61.5 -51.2 69.1 -5.3 41.5 88 88 A L H X S+ 0 0 21 -4,-3.9 4,-2.4 2,-0.2 5,-0.2 0.835 112.2 50.4 -59.1 -42.5 68.9 -7.5 44.5 89 89 A S H X S+ 0 0 58 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.949 114.1 43.6 -64.5 -49.4 71.5 -5.7 46.5 90 90 A Q H X S+ 0 0 93 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.922 114.5 48.6 -65.5 -41.5 69.9 -2.4 46.1 91 91 A F H X S+ 0 0 23 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.939 114.7 46.3 -63.7 -43.2 66.4 -3.7 46.7 92 92 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.935 112.4 49.4 -65.0 -43.7 67.4 -5.5 49.8 93 93 A K H X S+ 0 0 134 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.934 112.2 48.9 -61.6 -45.0 69.4 -2.5 51.1 94 94 A E H X S+ 0 0 73 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.934 113.0 47.4 -58.0 -50.2 66.4 -0.2 50.5 95 95 A H H <>S+ 0 0 49 -4,-2.4 5,-3.1 -5,-0.2 3,-0.5 0.814 106.7 53.6 -63.7 -37.4 63.9 -2.5 52.2 96 96 A V H ><5S+ 0 0 41 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.931 103.5 58.7 -68.5 -35.6 65.9 -3.3 55.4 97 97 A G H 3<5S+ 0 0 69 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.745 104.9 50.1 -63.9 -20.2 66.2 0.5 56.0 98 98 A F T 3<5S- 0 0 136 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.477 126.1-108.0 -94.5 -2.1 62.5 0.6 56.0 99 99 A G T < 5S+ 0 0 49 -3,-1.8 2,-0.5 -4,-0.3 -3,-0.2 0.677 70.2 145.8 86.2 19.1 62.6 -2.2 58.5 100 100 A V < - 0 0 18 -5,-3.1 -1,-0.3 -6,-0.1 2,-0.2 -0.756 28.0-166.3 -92.5 130.8 61.3 -4.9 56.2 101 101 A G >> - 0 0 8 -2,-0.5 3,-1.2 45,-0.2 4,-1.1 -0.561 37.8 -93.8-111.6 179.3 62.8 -8.4 56.7 102 102 A S H 3> S+ 0 0 11 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.791 117.6 67.2 -59.6 -27.5 63.0 -11.7 55.0 103 103 A A H 3> S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.879 96.8 52.6 -64.8 -34.9 59.9 -12.9 56.9 104 104 A Q H <> S+ 0 0 43 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.6 49.6 -67.6 -35.7 57.8 -10.4 55.0 105 105 A F H X S+ 0 0 23 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.779 101.9 61.3 -77.5 -19.7 59.1 -11.8 51.8 106 106 A E H X S+ 0 0 80 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.895 106.1 48.8 -69.6 -33.5 58.4 -15.3 52.9 107 107 A N H X S+ 0 0 55 -4,-1.4 4,-1.6 2,-0.2 5,-0.2 0.966 109.2 50.2 -67.8 -51.5 54.7 -14.3 53.1 108 108 A V H >X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.946 110.7 51.5 -50.1 -49.7 54.7 -12.7 49.6 109 109 A R H 3< S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 106.8 52.8 -58.9 -39.3 56.3 -15.8 48.2 110 110 A S H 3< S+ 0 0 79 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.805 117.9 36.1 -68.5 -26.3 53.6 -18.0 49.8 111 111 A M H S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.882 111.5 50.2 -54.0 -43.6 51.4 -18.2 42.9 114 114 A G H > S+ 0 0 55 -4,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.860 109.7 52.8 -65.5 -32.3 47.8 -18.1 44.1 115 115 A F H >X S+ 0 0 17 -4,-1.7 3,-0.8 -3,-0.3 4,-0.7 0.971 110.4 45.6 -64.9 -49.1 47.7 -14.5 43.1 116 116 A V H >X S+ 0 0 0 -4,-2.7 3,-2.4 1,-0.3 4,-2.1 0.950 108.9 56.4 -55.4 -51.5 49.0 -15.1 39.5 117 117 A A H 3< S+ 0 0 51 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.770 96.7 65.2 -56.5 -21.5 46.6 -18.1 39.1 118 118 A S H << S+ 0 0 85 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.832 109.2 38.7 -71.2 -26.2 43.8 -15.7 40.0 119 119 A V H << S- 0 0 51 -3,-2.4 2,-0.3 -4,-0.7 -2,-0.2 0.881 136.6 -23.5 -89.0 -45.4 44.6 -13.8 36.7 120 120 A A S < S- 0 0 39 -4,-2.1 -1,-0.4 -107,-0.1 -2,-0.1 -0.930 75.1 -91.2-165.1 143.1 45.4 -16.7 34.4 121 121 A A - 0 0 91 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.369 47.3-130.8 -62.2 127.2 46.6 -20.3 34.9 122 122 A P - 0 0 33 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.411 24.7-100.5 -75.9 160.6 50.3 -20.2 34.8 123 123 A P > - 0 0 53 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.375 51.3 -77.5 -77.3 160.9 52.2 -22.6 32.6 124 124 A A T 3 S+ 0 0 96 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.292 120.2 21.0 -56.2 139.5 53.8 -25.8 34.0 125 125 A G T 3> S+ 0 0 44 -3,-0.1 4,-1.3 1,-0.0 -1,-0.3 0.237 94.4 102.4 83.8 -13.0 57.0 -24.9 35.7 126 126 A A H <> S+ 0 0 0 -3,-2.3 4,-2.5 2,-0.2 3,-0.3 0.950 75.4 56.2 -68.2 -45.0 56.2 -21.2 36.3 127 127 A D H > S+ 0 0 62 -4,-0.5 4,-2.1 1,-0.3 5,-0.2 0.917 108.5 47.4 -53.4 -45.2 55.3 -21.6 39.9 128 128 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.841 108.1 57.2 -66.5 -31.3 58.6 -23.1 40.7 129 129 A A H X S+ 0 0 1 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.937 109.3 44.6 -65.8 -42.3 60.3 -20.3 38.8 130 130 A W H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.885 109.9 53.1 -67.0 -40.7 58.7 -17.7 40.9 131 131 A T H X S+ 0 0 57 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.889 110.2 51.5 -64.2 -29.9 59.4 -19.4 44.1 132 132 A K H X S+ 0 0 89 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.926 111.0 45.3 -70.1 -41.6 63.0 -19.5 42.9 133 133 A L H >X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 3,-0.6 0.936 113.3 49.9 -64.5 -47.5 63.1 -15.7 42.2 134 134 A F H 3X S+ 0 0 8 -4,-3.2 4,-2.3 1,-0.3 3,-0.5 0.911 105.3 59.2 -60.7 -35.3 61.5 -14.9 45.4 135 135 A G H 3X S+ 0 0 13 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.3 0.851 101.8 53.8 -63.6 -31.0 64.0 -17.1 47.1 136 136 A L H S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.7 0.925 109.2 52.4 -68.4 -38.4 67.4 -9.6 52.6 142 142 A K H <5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.710 110.2 49.3 -70.0 -15.9 69.2 -12.0 54.9 143 143 A A H <5S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.650 103.9 59.2 -93.1 -17.8 72.4 -10.7 53.6 144 144 A A H <5S- 0 0 37 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.607 130.2 -87.5 -88.5 -0.4 71.4 -7.2 54.1 145 145 A G T <5 0 0 69 -4,-0.7 -3,-0.2 1,-0.1 -2,-0.1 0.488 360.0 360.0 112.1 11.6 70.8 -7.7 57.9 146 146 A K < 0 0 60 -5,-2.2 -45,-0.2 -46,-0.0 -1,-0.1 -0.007 360.0 360.0-141.1 360.0 67.2 -9.0 58.2