==== 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 14-JUN-93 2FAL . 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) . 7116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 81.5 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.1 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 . 3 2.1 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 3 0 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 58 0, 0.0 2,-0.2 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0-178.3 69.3 -16.4 39.0 2 2 A L - 0 0 5 76,-2.4 79,-0.1 1,-0.1 2,-0.1 -0.637 360.0-103.0 -99.2 166.4 66.9 -18.5 37.2 3 3 A S > - 0 0 56 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.416 36.9-104.0 -82.8 167.7 67.8 -20.5 34.0 4 4 A A H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.902 123.5 53.2 -59.8 -35.0 66.7 -19.0 30.8 5 5 A A H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 109.4 44.4 -68.1 -42.6 64.0 -21.7 30.8 6 6 A E H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.906 112.4 53.1 -68.1 -35.8 62.7 -20.9 34.1 7 7 A A H X S+ 0 0 9 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.914 104.5 55.7 -68.4 -27.6 62.7 -17.2 33.4 8 8 A D H X S+ 0 0 102 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.918 107.8 49.1 -64.6 -38.5 60.8 -17.8 30.3 9 9 A L H X S+ 0 0 53 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.919 110.4 49.6 -68.7 -42.5 58.1 -19.5 32.3 10 10 A A H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.930 111.5 49.4 -64.0 -38.0 57.9 -16.8 34.8 11 11 A G H X S+ 0 0 23 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.920 109.3 53.3 -67.4 -40.3 57.7 -14.1 32.1 12 12 A K H < S+ 0 0 132 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.895 111.1 44.0 -59.1 -44.0 55.0 -16.1 30.4 13 13 A S H < S+ 0 0 3 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.832 113.8 53.0 -72.9 -29.3 52.9 -16.3 33.6 14 14 A W H >X S+ 0 0 5 -4,-2.3 4,-3.3 -5,-0.2 3,-0.8 0.822 91.3 76.9 -76.8 -29.0 53.5 -12.6 34.3 15 15 A A H 3X S+ 0 0 58 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.876 95.2 43.4 -44.3 -59.5 52.4 -11.3 30.9 16 16 A P H 34 S+ 0 0 51 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.816 116.4 50.6 -60.8 -29.1 48.7 -11.5 31.3 17 17 A V H X4 S+ 0 0 0 -3,-0.8 3,-1.3 -4,-0.4 7,-0.3 0.951 112.9 44.1 -72.0 -52.6 49.1 -10.0 34.9 18 18 A F H >< S+ 0 0 58 -4,-3.3 3,-1.0 1,-0.2 -1,-0.2 0.750 94.5 80.8 -64.5 -24.3 51.2 -7.1 33.7 19 19 A A T 3< S+ 0 0 74 -4,-2.0 -1,-0.2 -5,-0.3 2,-0.2 0.740 104.3 33.6 -53.6 -29.1 48.9 -6.6 30.7 20 20 A N T <>>S+ 0 0 100 -3,-1.3 4,-2.8 -4,-0.4 5,-0.5 -0.652 78.6 164.9-124.6 68.2 46.6 -4.7 33.1 21 21 A K H <>5 + 0 0 56 -3,-1.0 4,-2.1 -2,-0.2 5,-0.3 0.894 67.3 50.5 -59.6 -42.3 49.1 -3.2 35.3 22 22 A N H >5S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.991 119.5 34.3 -60.4 -56.7 46.9 -0.6 37.1 23 23 A A H >5S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 122.1 44.9 -66.1 -45.5 44.2 -2.9 38.1 24 24 A N H X5S+ 0 0 17 -4,-2.8 4,-2.2 -7,-0.3 5,-0.2 0.849 112.6 52.3 -71.0 -35.3 46.3 -6.0 38.7 25 25 A G H X< - 0 0 42 -4,-2.7 3,-2.7 -5,-0.3 4,-0.4 -0.654 68.8-179.8-131.0 75.5 48.9 -10.8 55.7 37 37 A P G > S+ 0 0 87 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.750 75.0 66.9 -47.4 -32.2 47.4 -7.9 57.6 38 38 A D G > S+ 0 0 73 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.739 83.2 77.1 -66.3 -19.7 50.6 -7.0 59.4 39 39 A S G X S+ 0 0 5 -3,-2.7 3,-2.3 1,-0.3 4,-0.3 0.904 85.1 62.2 -56.4 -37.3 52.2 -6.0 56.1 40 40 A A G X S+ 0 0 8 -3,-0.9 3,-1.8 -4,-0.4 6,-0.3 0.794 88.3 69.3 -59.7 -30.2 50.3 -2.8 56.1 41 41 A N G < S+ 0 0 95 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.642 89.3 65.1 -68.1 -10.4 51.9 -1.6 59.1 42 42 A F G < S+ 0 0 70 -3,-2.3 2,-0.7 -4,-0.3 -1,-0.3 0.604 89.0 79.0 -83.4 -9.8 55.1 -1.2 57.3 43 43 A F X> - 0 0 40 -3,-1.8 4,-1.6 -4,-0.3 3,-0.8 -0.850 67.3-153.6-103.2 126.4 53.8 1.4 55.1 44 44 A A G >4 S+ 0 0 94 -2,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.957 97.7 54.0 -54.5 -52.3 53.6 4.9 56.4 45 45 A D G 34 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.788 121.2 28.0 -56.6 -30.6 50.8 5.6 54.0 46 46 A F G X4 S+ 0 0 0 -3,-0.8 3,-1.8 -6,-0.3 -1,-0.2 0.421 80.3 133.1-115.6 3.9 48.6 2.7 55.2 47 47 A K T << S+ 0 0 149 -4,-1.6 -6,-0.1 -3,-0.6 3,-0.1 -0.278 85.3 7.3 -54.3 131.1 49.6 2.0 58.9 48 48 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.193 101.8 126.2 82.1 -22.9 46.5 1.6 60.9 49 49 A K < - 0 0 80 -3,-1.8 -1,-0.2 -9,-0.1 2,-0.1 -0.357 56.7-126.9 -72.3 155.3 44.2 1.7 57.9 50 50 A S > - 0 0 56 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.479 32.2-103.4 -91.0 165.9 41.7 -1.0 57.1 51 51 A V H > S+ 0 0 40 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.900 124.9 54.8 -54.5 -40.0 41.6 -2.8 53.8 52 52 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 108.5 48.1 -57.6 -46.9 38.5 -0.6 52.9 53 53 A D H 4 S+ 0 0 82 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.884 111.6 50.4 -58.3 -45.3 40.5 2.5 53.7 54 54 A I H >< S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 6,-0.2 0.929 108.3 51.1 -60.6 -46.5 43.4 1.3 51.6 55 55 A K H 3< S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.858 113.9 45.8 -62.2 -31.8 41.3 0.5 48.6 56 56 A A T 3< S+ 0 0 80 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.450 88.6 111.1 -94.5 4.4 39.8 4.1 48.8 57 57 A S X - 0 0 12 -3,-1.4 3,-1.3 -4,-0.3 4,-0.4 -0.512 64.7-142.2 -80.0 141.7 43.2 5.9 49.3 58 58 A P T 3 S+ 0 0 125 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.549 99.6 65.3 -78.6 -0.3 44.5 8.0 46.5 59 59 A K T 3> S+ 0 0 95 1,-0.1 4,-1.5 2,-0.1 3,-0.4 0.533 76.2 85.3 -92.4 -12.9 47.8 6.8 47.4 60 60 A L H <> S+ 0 0 10 -3,-1.3 4,-2.9 -6,-0.2 5,-0.3 0.910 84.0 55.7 -57.8 -42.5 47.3 3.2 46.4 61 61 A R H > S+ 0 0 101 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.854 104.6 51.9 -62.5 -37.0 48.1 3.5 42.8 62 62 A D H > S+ 0 0 122 -3,-0.4 4,-1.8 -4,-0.2 -1,-0.2 0.896 113.1 45.6 -66.6 -38.5 51.5 5.0 43.4 63 63 A V H X S+ 0 0 2 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.947 115.3 44.0 -71.9 -48.3 52.4 2.1 45.7 64 64 A S H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.923 112.8 53.9 -61.0 -40.5 51.1 -0.7 43.5 65 65 A S H X S+ 0 0 27 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.928 106.6 50.1 -62.9 -44.8 52.6 0.8 40.4 66 66 A R H X S+ 0 0 139 -4,-1.8 4,-2.3 -5,-0.2 5,-0.2 0.912 112.2 48.3 -63.1 -37.6 56.1 1.1 41.8 67 67 A I H X S+ 0 0 43 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.969 115.0 45.4 -62.5 -51.4 56.0 -2.6 42.9 68 68 A F H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.907 111.5 51.7 -61.7 -38.0 54.7 -3.7 39.5 69 69 A T H X S+ 0 0 66 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.946 115.4 41.8 -63.6 -45.2 57.3 -1.6 37.7 70 70 A R H X S+ 0 0 85 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.901 112.7 52.9 -70.1 -39.0 60.1 -3.0 39.7 71 71 A L H X S+ 0 0 13 -4,-3.2 4,-2.5 1,-0.3 5,-0.3 0.919 104.7 57.3 -62.7 -39.4 58.8 -6.6 39.6 72 72 A N H X S+ 0 0 28 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.3 0.898 105.5 49.3 -56.8 -42.4 58.6 -6.4 35.9 73 73 A E H X S+ 0 0 76 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.850 108.8 53.2 -69.3 -30.9 62.3 -5.5 35.7 74 74 A F H X S+ 0 0 2 -4,-2.0 4,-0.8 2,-0.2 3,-0.3 0.949 109.3 49.1 -66.1 -40.1 63.1 -8.5 37.9 75 75 A V H >< S+ 0 0 11 -4,-2.5 3,-0.8 1,-0.3 4,-0.3 0.924 111.0 50.9 -61.6 -45.8 61.2 -10.8 35.6 76 76 A N H 3< S+ 0 0 101 -4,-2.2 -1,-0.3 -5,-0.3 3,-0.2 0.765 119.7 33.7 -64.5 -32.2 63.0 -9.4 32.7 77 77 A N H >< S+ 0 0 31 -4,-1.3 3,-2.2 -3,-0.3 7,-0.3 0.351 82.0 112.8-105.0 4.1 66.4 -9.9 34.1 78 78 A A T << S+ 0 0 0 -4,-0.8 -76,-2.4 -3,-0.8 -1,-0.1 0.725 75.0 52.6 -52.0 -28.8 65.9 -13.0 36.1 79 79 A A T 3 S+ 0 0 47 -4,-0.3 2,-0.7 -3,-0.2 -1,-0.3 0.323 91.7 80.2 -92.2 8.3 68.2 -15.2 34.0 80 80 A N <> - 0 0 64 -3,-2.2 4,-2.2 1,-0.2 5,-0.2 -0.872 59.9-168.1-116.0 96.3 71.1 -12.9 34.2 81 81 A A H > S+ 0 0 54 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.789 85.2 64.2 -54.8 -26.1 72.8 -13.5 37.5 82 82 A G H > S+ 0 0 49 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.977 108.2 33.4 -62.1 -63.9 74.8 -10.4 36.8 83 83 A K H > S+ 0 0 109 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.778 114.4 62.6 -62.3 -31.7 72.0 -7.9 36.8 84 84 A M H X S+ 0 0 3 -4,-2.2 4,-3.3 -7,-0.3 5,-0.3 0.925 100.2 52.9 -63.7 -44.4 70.2 -10.0 39.5 85 85 A S H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.927 113.7 42.5 -52.1 -52.6 73.0 -9.4 41.9 86 86 A A H X S+ 0 0 66 -4,-1.4 4,-1.9 1,-0.2 5,-0.3 0.959 116.8 47.3 -60.8 -55.5 72.8 -5.6 41.4 87 87 A M H X S+ 0 0 35 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.851 112.8 47.8 -55.7 -43.0 69.1 -5.5 41.5 88 88 A L H X S+ 0 0 21 -4,-3.3 4,-3.0 2,-0.2 5,-0.3 0.862 109.1 53.0 -71.1 -35.5 68.8 -7.7 44.5 89 89 A S H X S+ 0 0 62 -4,-2.0 4,-3.0 -5,-0.3 5,-0.2 0.967 114.8 41.2 -62.4 -48.8 71.4 -5.7 46.5 90 90 A Q H X S+ 0 0 87 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.954 113.8 52.4 -63.5 -51.9 69.7 -2.5 45.9 91 91 A F H X S+ 0 0 22 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.930 113.7 43.7 -53.9 -48.6 66.3 -3.8 46.4 92 92 A A H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.942 112.1 52.4 -65.3 -42.2 67.2 -5.3 49.7 93 93 A K H X S+ 0 0 127 -4,-3.0 4,-1.4 -5,-0.3 -2,-0.2 0.928 110.4 49.0 -56.8 -45.0 69.1 -2.2 50.9 94 94 A E H X S+ 0 0 58 -4,-2.7 4,-0.8 -5,-0.2 3,-0.4 0.982 114.9 44.1 -55.5 -60.5 66.1 -0.0 50.1 95 95 A H H ><>S+ 0 0 48 -4,-2.1 5,-2.0 -5,-0.2 3,-0.9 0.872 108.3 54.1 -56.4 -48.8 63.7 -2.4 52.0 96 96 A V H ><5S+ 0 0 38 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.865 102.3 59.0 -58.4 -38.1 65.7 -3.0 55.1 97 97 A G H 3<5S+ 0 0 66 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.789 105.4 51.5 -63.3 -24.0 66.1 0.7 55.8 98 98 A F T <<5S- 0 0 149 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.457 124.1-105.7 -94.2 2.3 62.3 0.9 55.9 99 99 A G T < 5S+ 0 0 51 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.519 74.7 137.1 92.1 6.4 62.1 -1.9 58.4 100 100 A V < - 0 0 17 -5,-2.0 -1,-0.3 -8,-0.1 2,-0.2 -0.655 30.9-172.9 -90.4 139.5 60.9 -4.6 56.0 101 101 A G >> - 0 0 8 -2,-0.3 3,-1.2 -3,-0.1 4,-0.9 -0.656 39.8 -87.2-128.3-177.6 62.5 -8.0 56.3 102 102 A S H 3> S+ 0 0 10 44,-1.7 4,-2.0 1,-0.3 3,-0.5 0.819 116.2 66.7 -61.5 -32.7 62.6 -11.4 54.7 103 103 A A H 3> S+ 0 0 43 43,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.884 98.6 52.5 -57.9 -31.5 59.6 -12.7 56.5 104 104 A Q H <> S+ 0 0 33 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.822 108.9 50.1 -74.2 -26.3 57.4 -10.2 54.7 105 105 A F H X S+ 0 0 22 -4,-0.9 4,-2.2 -3,-0.5 -1,-0.2 0.781 104.1 58.2 -82.0 -23.6 58.8 -11.5 51.5 106 106 A E H X S+ 0 0 78 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 106.5 51.5 -64.6 -43.4 58.1 -15.2 52.6 107 107 A N H X S+ 0 0 37 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.951 108.3 48.9 -58.7 -48.0 54.6 -14.0 52.9 108 108 A V H X S+ 0 0 12 -4,-1.7 4,-2.2 1,-0.2 3,-0.3 0.944 109.4 53.3 -57.5 -43.4 54.6 -12.6 49.4 109 109 A R H < S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 104.6 56.9 -59.2 -38.1 56.0 -15.8 48.0 110 110 A S H < S+ 0 0 73 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.882 116.3 32.4 -62.7 -39.1 53.3 -17.8 49.6 111 111 A M H X S+ 0 0 7 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.637 96.0 85.0 -99.3 -9.5 50.6 -15.9 47.9 112 112 A F H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.928 87.6 49.8 -60.5 -52.7 52.0 -15.0 44.6 113 113 A P H 3> S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.925 111.9 51.5 -56.1 -39.8 51.3 -18.1 42.6 114 114 A G H 3> S+ 0 0 46 -4,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.866 109.8 49.7 -63.0 -32.0 47.8 -18.0 43.8 115 115 A F H X S+ 0 0 1 -4,-2.7 3,-2.4 1,-0.3 4,-2.1 0.959 109.3 53.9 -57.0 -47.7 48.9 -15.0 39.1 117 117 A A H 3< S+ 0 0 48 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.830 95.9 68.3 -60.9 -25.9 46.5 -17.9 38.7 118 118 A S H 3< S+ 0 0 86 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.726 108.4 37.3 -65.4 -18.8 43.7 -15.6 39.6 119 119 A V H << S- 0 0 52 -3,-2.4 2,-0.3 -4,-0.5 -2,-0.2 0.857 137.3 -19.4 -95.6 -47.9 44.4 -13.8 36.3 120 120 A A S < S- 0 0 43 -4,-2.1 -1,-0.4 -107,-0.1 -2,-0.1 -0.928 75.8 -92.4-161.3 145.1 45.2 -16.7 34.0 121 121 A A - 0 0 92 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.446 47.3-131.0 -61.7 126.6 46.4 -20.3 34.6 122 122 A P - 0 0 33 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.476 22.6-101.4 -81.8 153.6 50.1 -20.3 34.5 123 123 A P > - 0 0 51 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.280 52.4 -79.4 -66.7 156.1 52.1 -22.8 32.4 124 124 A A T 3 S+ 0 0 94 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.278 120.2 25.0 -54.0 143.6 53.6 -25.8 34.1 125 125 A G T 3> S+ 0 0 44 -3,-0.1 4,-1.6 1,-0.0 -1,-0.3 0.182 94.0 104.1 85.4 -18.8 56.8 -25.0 35.8 126 126 A A H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 5,-0.3 0.935 74.6 53.0 -64.3 -47.5 55.8 -21.3 36.3 127 127 A D H > S+ 0 0 69 -4,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.890 109.1 50.0 -56.9 -37.7 54.9 -21.5 40.0 128 128 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.901 107.0 53.8 -68.7 -36.1 58.2 -23.0 40.8 129 129 A A H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.922 110.5 48.4 -62.3 -40.0 60.1 -20.3 38.9 130 130 A W H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.876 109.6 51.9 -67.4 -37.8 58.3 -17.7 40.9 131 131 A T H X S+ 0 0 55 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.921 111.0 46.5 -69.4 -32.4 59.0 -19.3 44.0 132 132 A K H X S+ 0 0 91 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.910 111.3 52.8 -73.9 -30.4 62.7 -19.6 43.2 133 133 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.2 0.955 112.1 44.6 -63.7 -46.1 62.7 -15.9 42.1 134 134 A F H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.838 106.8 60.9 -67.9 -27.5 61.2 -14.8 45.4 135 135 A G H X S+ 0 0 13 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.896 101.1 54.4 -63.9 -35.7 63.6 -17.1 47.2 136 136 A L H X S+ 0 0 40 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.887 109.0 47.0 -64.1 -37.1 66.4 -15.1 45.7 137 137 A I H X S+ 0 0 2 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.937 110.1 53.2 -69.4 -42.1 64.9 -11.8 47.2 138 138 A I H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.926 109.4 49.4 -59.0 -45.9 64.4 -13.5 50.5 139 139 A D H X S+ 0 0 102 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.905 108.6 51.5 -63.3 -39.7 68.0 -14.4 50.5 140 140 A A H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.883 109.5 51.6 -64.7 -34.0 69.1 -10.9 49.6 141 141 A L H <>S+ 0 0 0 -4,-2.4 5,-1.5 2,-0.2 4,-0.4 0.909 107.4 50.7 -68.6 -40.7 67.1 -9.5 52.5 142 142 A K H >X5S+ 0 0 98 -4,-2.3 3,-2.3 4,-0.4 4,-0.6 0.982 109.9 51.9 -60.8 -43.5 68.6 -11.9 54.9 143 143 A A H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.4 58.9 -57.2 -34.4 72.0 -10.8 53.6 144 144 A A T 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.445 131.6 -85.5 -79.5 2.0 71.1 -7.2 54.1 145 145 A G T <45 0 0 68 -3,-2.3 -3,-0.2 -4,-0.4 -2,-0.2 0.738 360.0 360.0 105.3 27.4 70.5 -7.7 57.9 146 146 A A << 0 0 53 -5,-1.5 -44,-1.7 -4,-0.6 -43,-0.5 0.209 360.0 360.0-164.2 360.0 67.0 -8.9 58.2