==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 04-NOV-98 1EBT . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LUCINA PECTINATA; . AUTHOR C.ROSANO,M.BOLOGNESI,P.ASCENZI . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 81.0 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 . 25 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 60.6 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 1 2 2 0 1 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 0 162 0, 0.0 2,-0.4 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 141.7 0.4 20.0 14.2 2 2 A L - 0 0 43 128,-0.0 2,-0.1 131,-0.0 124,-0.0 -0.981 360.0-142.3-131.8 116.5 -1.2 17.5 11.8 3 3 A S > - 0 0 54 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.383 24.6-113.0 -81.1 164.6 -3.2 18.8 8.9 4 4 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 119.6 55.4 -59.8 -36.6 -6.4 17.3 7.6 5 5 A A H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 106.3 48.8 -64.1 -39.7 -4.4 16.5 4.5 6 6 A Q H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 111.2 50.1 -65.1 -44.9 -1.7 14.6 6.3 7 7 A K H X S+ 0 0 48 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 110.0 49.8 -60.3 -43.8 -4.3 12.6 8.2 8 8 A D H X S+ 0 0 106 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.888 111.2 50.2 -61.9 -38.3 -6.2 11.6 5.0 9 9 A N H X S+ 0 0 44 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.914 110.1 49.4 -62.9 -46.9 -2.9 10.5 3.4 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.930 113.2 47.9 -60.5 -45.7 -1.9 8.4 6.5 11 11 A T H X S+ 0 0 52 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.922 114.6 43.7 -64.3 -46.0 -5.4 6.7 6.5 12 12 A S H X S+ 0 0 79 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.932 115.5 46.7 -65.9 -44.4 -5.5 5.9 2.8 13 13 A S H X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.893 110.5 53.5 -64.1 -40.4 -1.9 4.7 2.5 14 14 A W H X S+ 0 0 11 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.935 104.5 56.4 -62.7 -41.6 -2.4 2.5 5.6 15 15 A A H X S+ 0 0 65 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.903 109.7 46.8 -54.5 -42.9 -5.5 0.9 4.0 16 16 A K H X S+ 0 0 138 -4,-1.7 4,-1.1 104,-0.2 -1,-0.2 0.933 113.6 44.3 -67.0 -46.6 -3.4 -0.1 1.1 17 17 A A H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 3,-0.2 0.899 110.6 59.3 -66.7 -32.4 -0.4 -1.5 3.1 18 18 A S H >< S+ 0 0 29 -4,-3.2 3,-1.0 -5,-0.3 4,-0.2 0.883 100.3 52.4 -60.7 -41.7 -3.0 -3.2 5.2 19 19 A A H 3< S+ 0 0 93 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.813 116.7 41.4 -65.8 -25.5 -4.5 -5.2 2.4 20 20 A A T >X S+ 0 0 34 -4,-1.1 4,-2.9 -3,-0.2 3,-2.0 0.333 79.2 112.8-104.0 9.0 -1.0 -6.4 1.4 21 21 A W H <> + 0 0 2 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.742 59.3 77.7 -54.1 -29.0 0.2 -7.0 5.0 22 22 A G H 34 S+ 0 0 65 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.829 118.0 12.5 -50.4 -35.4 0.3 -10.8 4.4 23 23 A T H <> S+ 0 0 102 -3,-2.0 4,-1.0 2,-0.1 -2,-0.2 0.735 126.8 56.0-114.2 -32.0 3.6 -10.3 2.5 24 24 A A H X S+ 0 0 2 -4,-2.9 4,-3.0 -7,-0.2 -3,-0.2 0.831 94.9 67.6 -73.5 -31.4 4.6 -6.7 3.3 25 25 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.975 103.3 44.4 -50.7 -53.7 4.6 -7.1 7.1 26 26 A P H > S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.903 110.7 55.1 -60.6 -33.7 7.6 -9.5 7.1 27 27 A E H X S+ 0 0 91 -4,-1.0 4,-2.2 1,-0.2 5,-0.2 0.955 106.2 53.1 -66.0 -40.6 9.4 -7.2 4.5 28 28 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.953 108.7 48.6 -55.7 -50.4 8.9 -4.3 7.0 29 29 A F H X S+ 0 0 4 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.905 108.7 53.9 -56.5 -39.3 10.5 -6.3 9.9 30 30 A M H X S+ 0 0 27 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.952 109.0 46.9 -64.3 -42.1 13.4 -7.3 7.8 31 31 A A H X S+ 0 0 40 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.955 113.9 49.5 -61.1 -44.1 14.2 -3.7 6.8 32 32 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.956 113.0 45.9 -59.2 -49.3 13.9 -2.7 10.5 33 33 A F H < S+ 0 0 1 -4,-3.5 -1,-0.2 1,-0.2 7,-0.2 0.863 111.6 53.0 -65.6 -33.5 16.2 -5.5 11.6 34 34 A D H < S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.3 3,-0.2 0.930 112.3 44.1 -68.6 -39.1 18.6 -4.7 8.9 35 35 A A H < S+ 0 0 60 -4,-2.8 2,-0.4 1,-0.2 -2,-0.2 0.799 123.0 32.4 -74.5 -29.9 18.8 -1.0 10.0 36 36 A H >X - 0 0 56 -4,-2.2 4,-1.9 -5,-0.2 3,-0.7 -0.827 52.4-179.1-138.3 100.1 19.0 -1.7 13.8 37 37 A D H 3> S+ 0 0 104 -2,-0.4 4,-2.3 1,-0.3 -1,-0.1 0.816 87.7 62.0 -63.1 -29.9 20.8 -4.7 15.2 38 38 A D H 3> S+ 0 0 76 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.852 103.5 50.0 -66.3 -31.2 19.9 -3.5 18.7 39 39 A V H X4 S+ 0 0 15 -3,-0.7 3,-1.0 -7,-0.2 4,-0.4 0.932 107.9 50.8 -71.1 -48.1 16.2 -3.8 17.8 40 40 A F H >< S+ 0 0 23 -4,-1.9 3,-2.7 1,-0.2 -2,-0.2 0.922 101.5 65.5 -54.8 -44.5 16.6 -7.3 16.4 41 41 A A H >< S+ 0 0 54 -4,-2.3 3,-1.4 1,-0.3 4,-0.3 0.774 93.0 61.1 -46.5 -36.0 18.4 -8.3 19.7 42 42 A K T << S+ 0 0 104 -3,-1.0 -1,-0.3 -4,-0.7 3,-0.3 0.665 99.3 55.1 -71.1 -15.0 15.2 -7.7 21.6 43 43 A F T <> S+ 0 0 47 -3,-2.7 4,-2.6 -4,-0.4 -1,-0.3 0.352 73.9 109.3 -98.8 8.7 13.4 -10.4 19.7 44 44 A S T <4>S+ 0 0 72 -3,-1.4 5,-1.9 1,-0.2 4,-0.3 0.886 78.4 50.9 -52.0 -39.7 16.0 -13.1 20.5 45 45 A G T >45S+ 0 0 56 -3,-0.3 3,-2.0 -4,-0.3 -1,-0.2 0.989 109.6 47.0 -65.2 -53.9 13.6 -14.9 22.7 46 46 A L T 345S+ 0 0 65 1,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.886 117.8 44.3 -52.8 -41.7 10.7 -15.0 20.3 47 47 A F T ><5S- 0 0 12 -4,-2.6 3,-1.7 3,-0.1 -1,-0.3 0.349 107.1-126.0 -88.0 3.8 13.0 -16.2 17.6 48 48 A S T < 5 - 0 0 108 -3,-2.0 -3,-0.2 -4,-0.3 -4,-0.1 0.829 66.3 -56.2 59.1 31.8 14.8 -18.7 19.7 49 49 A G T 3 - 0 0 68 1,-0.1 3,-1.4 2,-0.1 4,-0.3 -0.453 34.1-110.2 -76.3 150.5 20.2 -15.7 12.9 52 52 A K G > S+ 0 0 45 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.871 111.3 54.4 -50.3 -48.4 18.6 -12.6 11.3 53 53 A G G 3 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.237 105.1 59.3 -81.3 27.2 18.5 -13.7 7.7 54 54 A T G < S+ 0 0 88 -3,-1.4 -1,-0.3 2,-0.1 3,-0.2 0.457 86.5 70.1-126.7 -6.5 16.7 -16.8 8.7 55 55 A V X + 0 0 1 -3,-1.4 3,-1.9 -4,-0.3 6,-0.3 0.638 66.2 97.8 -90.5 -14.3 13.5 -15.5 10.4 56 56 A K T 3 S+ 0 0 68 -4,-0.4 -1,-0.2 1,-0.3 -27,-0.1 0.827 89.9 34.0 -44.9 -52.1 11.5 -14.1 7.5 57 57 A N T 3 S+ 0 0 151 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.253 91.3 126.0 -94.7 18.0 9.2 -17.0 6.6 58 58 A T <> - 0 0 34 -3,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.303 69.4-122.9 -73.4 156.2 8.7 -18.3 10.2 59 59 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.881 114.7 55.4 -62.6 -35.8 5.4 -18.8 12.0 60 60 A E H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.862 105.7 52.8 -64.8 -38.9 6.6 -16.4 14.8 61 61 A M H > S+ 0 0 1 -6,-0.3 4,-2.8 1,-0.2 5,-0.2 0.956 108.0 50.2 -62.2 -46.0 7.3 -13.7 12.1 62 62 A A H X S+ 0 0 55 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.908 112.9 46.7 -57.5 -41.7 3.8 -14.0 10.7 63 63 A A H X S+ 0 0 58 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.941 110.1 51.9 -69.0 -42.6 2.4 -13.7 14.1 64 64 A Q H X S+ 0 0 59 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.908 107.3 55.2 -61.4 -35.0 4.5 -10.7 15.0 65 65 A A H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.940 106.2 49.3 -65.2 -43.8 3.4 -9.0 11.8 66 66 A Q H X S+ 0 0 107 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.836 109.8 52.3 -63.5 -32.3 -0.3 -9.4 12.7 67 67 A S H X S+ 0 0 74 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.949 109.1 48.9 -69.0 -45.9 0.3 -8.0 16.2 68 68 A F H >X S+ 0 0 53 -4,-2.3 4,-2.0 1,-0.2 3,-0.5 0.946 111.2 51.8 -56.7 -47.8 2.1 -4.9 14.8 69 69 A K H 3X S+ 0 0 43 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.866 102.0 58.1 -60.8 -37.8 -0.7 -4.3 12.3 70 70 A G H 3X S+ 0 0 37 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.881 109.6 43.3 -66.5 -32.8 -3.5 -4.4 14.9 71 71 A L H < S+ 0 0 11 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.957 110.7 52.9 -61.5 -42.5 -4.1 4.5 16.1 76 76 A V H >< S+ 0 0 10 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.855 104.0 53.9 -61.7 -36.7 -5.0 5.3 12.5 77 77 A D T 3< S+ 0 0 122 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.488 111.0 47.1 -77.1 -1.4 -8.6 5.1 13.0 78 78 A N T X + 0 0 47 -3,-2.0 3,-2.5 -4,-0.3 7,-0.3 0.066 63.4 129.0-129.6 27.7 -8.5 7.6 15.9 79 79 A L T < S+ 0 0 24 -3,-0.9 -1,-0.1 1,-0.3 3,-0.1 0.667 79.3 48.2 -57.6 -21.5 -6.3 10.5 14.7 80 80 A D T 3 S+ 0 0 137 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.272 100.4 77.7-100.1 11.5 -8.9 13.1 15.6 81 81 A N <> + 0 0 79 -3,-2.5 4,-2.7 1,-0.1 5,-0.2 -0.720 49.2 172.8-125.4 82.5 -9.3 11.5 19.1 82 82 A A H > S+ 0 0 69 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.871 81.4 56.4 -53.8 -41.4 -6.5 12.4 21.5 83 83 A G H > S+ 0 0 56 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.943 110.2 44.0 -58.4 -49.7 -8.2 10.8 24.4 84 84 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.950 113.9 51.6 -61.1 -45.1 -8.5 7.5 22.6 85 85 A L H X S+ 0 0 13 -4,-2.7 4,-2.6 -7,-0.3 -2,-0.2 0.921 105.3 55.8 -58.0 -43.9 -4.9 7.8 21.4 86 86 A E H X S+ 0 0 127 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.875 106.4 48.7 -57.8 -43.9 -3.6 8.5 24.8 87 87 A G H X S+ 0 0 40 -4,-1.6 4,-1.5 -3,-0.2 -1,-0.2 0.935 111.2 48.5 -65.5 -44.6 -5.0 5.4 26.3 88 88 A Q H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 111.5 52.1 -60.0 -42.6 -3.7 3.0 23.6 89 89 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.855 102.9 58.8 -60.2 -38.5 -0.3 4.7 23.9 90 90 A K H X S+ 0 0 143 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.951 109.5 42.1 -58.5 -50.8 -0.1 4.1 27.7 91 91 A T H X S+ 0 0 86 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.937 113.2 53.2 -61.2 -48.0 -0.5 0.4 27.5 92 92 A F H X S+ 0 0 28 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.920 112.0 44.8 -55.9 -48.5 1.9 0.1 24.6 93 93 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.926 111.3 52.1 -65.5 -41.1 4.6 2.0 26.4 94 94 A A H X S+ 0 0 57 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 112.2 48.0 -60.7 -44.0 4.1 0.1 29.7 95 95 A N H < S+ 0 0 86 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.932 116.0 41.1 -63.8 -45.3 4.5 -3.1 27.8 96 96 A H H ><>S+ 0 0 49 -4,-2.2 3,-1.7 -5,-0.2 5,-1.6 0.890 110.7 57.0 -71.2 -38.4 7.6 -2.1 25.9 97 97 A K H ><5S+ 0 0 117 -4,-3.2 3,-2.5 1,-0.3 -1,-0.2 0.905 99.1 60.8 -58.2 -38.7 9.3 -0.4 28.7 98 98 A A T 3<5S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.660 98.4 58.4 -66.6 -12.0 9.1 -3.5 30.7 99 99 A R T < 5S- 0 0 145 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.337 119.7-105.9 -97.7 8.0 11.2 -5.3 28.1 100 100 A G T < 5S+ 0 0 51 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.664 70.4 148.5 82.4 12.3 14.1 -2.9 28.5 101 101 A I < - 0 0 29 -5,-1.6 -1,-0.3 1,-0.1 2,-0.1 -0.670 38.7-133.6 -86.7 139.8 13.3 -1.1 25.2 102 102 A S > - 0 0 57 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.448 18.3-118.1 -90.6 165.3 14.2 2.6 24.9 103 103 A A H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 116.9 60.0 -62.4 -35.4 12.2 5.6 23.6 104 104 A G H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 102.5 50.4 -61.4 -39.7 15.0 6.0 21.1 105 105 A Q H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 108.9 51.0 -67.3 -40.1 14.4 2.5 19.7 106 106 A L H X S+ 0 0 14 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.931 109.7 51.6 -62.0 -40.8 10.7 3.1 19.3 107 107 A E H X S+ 0 0 79 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.914 104.1 56.6 -60.9 -41.4 11.5 6.2 17.5 108 108 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.914 106.0 52.3 -56.2 -42.7 13.8 4.3 15.2 109 109 A A H X S+ 0 0 22 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.884 105.1 52.2 -61.0 -45.7 11.0 2.1 14.3 110 110 A F H X S+ 0 0 27 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.892 108.1 54.0 -63.2 -34.4 8.6 4.8 13.3 111 111 A K H X S+ 0 0 129 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.964 108.7 46.3 -66.2 -45.7 11.3 6.3 11.1 112 112 A V H X S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.964 111.9 53.8 -60.2 -41.6 11.8 3.0 9.2 113 113 A L H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.914 104.9 54.0 -58.3 -41.2 8.0 2.7 8.9 114 114 A S H < S+ 0 0 3 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.926 111.5 44.1 -60.6 -42.6 7.6 6.2 7.4 115 115 A G H >< S+ 0 0 22 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.906 111.5 54.1 -65.7 -40.5 10.1 5.4 4.7 116 116 A F H >< S+ 0 0 42 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.838 97.9 64.4 -61.3 -38.7 8.5 2.1 4.0 117 117 A M G ><>S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 5,-2.0 0.642 78.6 83.6 -61.8 -18.5 5.1 3.6 3.5 118 118 A K G X 5S+ 0 0 118 -3,-1.2 3,-1.7 -4,-0.5 -1,-0.3 0.890 83.3 62.5 -56.1 -35.1 6.3 5.5 0.5 119 119 A S G < 5S+ 0 0 100 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.670 101.5 51.1 -64.9 -14.5 5.6 2.3 -1.5 120 120 A Y G < 5S- 0 0 57 -3,-2.3 -1,-0.3 -4,-0.1 -104,-0.2 0.039 131.5 -86.9-110.3 24.1 1.9 2.5 -0.6 121 121 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.516 79.0 155.7 84.4 8.9 1.4 6.1 -1.8 122 122 A G < - 0 0 7 -5,-2.0 2,-0.7 -109,-0.1 -1,-0.3 -0.433 44.1-134.5 -72.1 135.0 2.4 7.4 1.7 123 123 A D >> - 0 0 84 -2,-0.2 4,-2.1 1,-0.2 3,-0.6 -0.815 12.7-147.2 -87.4 118.6 3.8 11.0 2.1 124 124 A E H 3> S+ 0 0 90 -2,-0.7 4,-2.5 1,-0.3 -1,-0.2 0.839 98.0 57.0 -55.5 -32.4 6.9 10.5 4.3 125 125 A G H 3> S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.874 106.3 47.9 -65.2 -43.9 6.2 13.9 5.7 126 126 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.885 112.5 48.3 -67.3 -41.0 2.7 12.9 6.8 127 127 A W H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.917 110.2 53.6 -64.7 -41.8 3.9 9.6 8.4 128 128 A T H X S+ 0 0 77 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.901 109.5 47.4 -60.6 -38.9 6.7 11.6 10.2 129 129 A A H X S+ 0 0 25 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.912 110.0 51.8 -70.5 -42.2 4.2 14.0 11.8 130 130 A V H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.924 109.2 52.7 -59.3 -39.8 1.9 11.3 12.9 131 131 A A H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.878 107.8 50.6 -66.1 -32.7 4.9 9.7 14.5 132 132 A G H X S+ 0 0 43 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.913 107.8 50.8 -75.3 -36.8 5.8 12.8 16.4 133 133 A A H X S+ 0 0 46 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.979 113.9 45.8 -64.0 -43.9 2.4 13.3 17.8 134 134 A L H >X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 3,-0.7 0.922 110.0 53.8 -63.0 -41.4 2.4 9.7 19.0 135 135 A M H 3X S+ 0 0 8 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.887 100.8 60.9 -62.3 -28.4 5.8 10.0 20.4 136 136 A G H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.830 110.2 42.4 -63.8 -29.8 4.7 13.1 22.4 137 137 A E H << S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.737 118.2 44.5 -86.6 -26.5 2.2 10.8 24.1 138 138 A I H >X S+ 0 0 0 -4,-2.0 3,-1.7 2,-0.1 4,-0.5 0.890 99.8 65.6 -84.4 -46.5 4.6 7.8 24.6 139 139 A E G >< S+ 0 0 101 -4,-2.5 3,-2.7 1,-0.3 -3,-0.1 0.933 90.3 60.5 -45.0 -62.5 7.8 9.4 25.8 140 140 A P G 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.801 112.5 44.4 -45.0 -22.1 6.7 10.8 29.2 141 141 A N G <4 0 0 73 -3,-1.7 -2,-0.2 -4,-0.1 -3,-0.1 0.568 360.0 360.0-100.6 -7.4 5.9 7.2 30.0 142 142 A M << 0 0 47 -3,-2.7 -40,-0.1 -4,-0.5 -48,-0.1 -0.147 360.0 360.0 -69.6 360.0 9.1 5.5 28.7