==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 11-FEB-91 1HBG . COMPND 2 MOLECULE: HEMOGLOBIN (CARBONMONOXY); . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCERA DIBRANCHIATA; . AUTHOR G.A.ARENTS,B.C.BRADEN,E.A.PADLAN,W.E.LOVE . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 82.3 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 . 21 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 63.3 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 1 2 1 0 0 1 0 0 0 1 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 G 0 0 61 0, 0.0 2,-0.3 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 150.6 6.0 27.9 15.9 2 2 A L - 0 0 20 71,-0.2 74,-0.1 1,-0.1 2,-0.1 -0.836 360.0-121.8-106.6 148.1 9.6 27.5 16.8 3 3 A S > - 0 0 60 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.258 35.5-103.1 -80.3 170.6 11.7 29.9 18.9 4 4 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.879 123.1 54.9 -63.2 -34.1 14.9 31.3 17.3 5 5 A A H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 110.7 45.1 -62.7 -45.6 17.1 28.9 19.4 6 6 A Q H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 110.6 53.0 -65.5 -44.0 15.1 25.9 18.1 7 7 A R H X S+ 0 0 90 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.881 107.4 53.5 -59.5 -38.7 15.2 27.2 14.4 8 8 A Q H X S+ 0 0 136 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.889 109.9 45.4 -61.1 -46.6 18.9 27.5 14.7 9 9 A V H X S+ 0 0 39 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.874 113.6 50.1 -65.3 -41.5 19.4 23.8 15.9 10 10 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.932 111.7 47.4 -63.0 -48.0 17.0 22.4 13.3 11 11 A A H X S+ 0 0 45 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.896 115.2 46.1 -60.3 -45.5 18.7 24.3 10.4 12 12 A A H >X S+ 0 0 58 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.909 115.9 42.8 -65.6 -48.9 22.2 23.2 11.6 13 13 A T H >X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 3,-0.5 0.771 102.9 68.3 -71.3 -27.8 21.4 19.5 12.2 14 14 A W H 3X S+ 0 0 27 -4,-2.2 4,-3.2 1,-0.3 5,-0.3 0.866 93.3 60.1 -57.8 -39.0 19.4 19.3 8.9 15 15 A K H <>S+ 0 0 12 -4,-3.2 5,-2.5 -5,-0.2 3,-1.7 0.900 86.5 161.6 -67.8 -32.3 20.4 15.4 4.7 19 19 A G T 3<5 - 0 0 47 -4,-1.3 3,-0.3 -5,-0.3 -1,-0.1 -0.262 67.5 -37.4 53.6-134.3 24.1 14.0 4.3 20 20 A A T 3 5S+ 0 0 114 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.073 139.2 52.6-111.2 23.6 24.9 13.1 0.7 21 21 A D T X 5S- 0 0 62 -3,-1.7 3,-2.2 39,-0.0 -2,-0.2 0.174 110.3-105.9-144.8 23.5 21.5 11.6 -0.3 22 22 A N T 3 5S- 0 0 92 -4,-0.3 -3,-0.2 -3,-0.3 -4,-0.2 0.824 79.9 -58.7 48.9 40.4 19.1 14.4 0.7 23 23 A G T 3> S+ 0 0 32 -3,-2.2 4,-2.7 -6,-0.2 5,-0.2 0.864 71.4 51.0 -60.2 -37.4 16.9 9.3 1.6 25 25 A G H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 110.4 50.5 -68.0 -32.7 18.7 6.7 3.9 26 26 A V H > S+ 0 0 1 -3,-0.5 4,-2.7 -9,-0.3 -1,-0.2 0.889 110.3 50.2 -69.4 -41.3 17.0 8.3 7.0 27 27 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 110.6 48.5 -64.8 -38.9 13.6 8.1 5.2 28 28 A K H X S+ 0 0 106 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.936 113.8 46.5 -67.9 -44.4 14.1 4.4 4.4 29 29 A K H X S+ 0 0 61 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.951 111.5 52.5 -62.6 -46.2 15.2 3.6 7.9 30 30 A C H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.937 116.1 37.3 -56.0 -50.9 12.2 5.5 9.4 31 31 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 115.1 52.8 -74.9 -35.1 9.5 3.8 7.3 32 32 A I H X S+ 0 0 46 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.932 114.9 42.2 -63.0 -51.7 11.0 0.3 7.4 33 33 A K H X S+ 0 0 111 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.906 111.6 55.1 -62.4 -37.3 11.3 0.4 11.2 34 34 A F H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.922 112.4 42.9 -61.0 -46.5 7.8 2.0 11.5 35 35 A L H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 7,-0.2 0.828 111.4 54.5 -69.5 -33.7 6.2 -0.8 9.6 36 36 A S H < S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.4 40.4 -67.0 -36.9 8.3 -3.5 11.4 37 37 A A H < S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.738 127.3 33.0 -79.4 -26.4 7.0 -2.1 14.7 38 38 A H >< + 0 0 59 -4,-1.6 3,-2.5 -5,-0.2 4,-0.4 -0.685 66.7 176.1-133.3 76.2 3.4 -1.6 13.6 39 39 A P T > S+ 0 0 93 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.832 75.8 68.9 -54.9 -32.5 2.6 -4.3 11.0 40 40 A Q T 3> S+ 0 0 126 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.707 86.4 68.7 -58.2 -25.1 -0.9 -3.0 10.7 41 41 A M H <> S+ 0 0 10 -3,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.721 80.6 75.6 -72.6 -17.4 0.3 0.1 9.0 42 42 A A H <>>S+ 0 0 13 -3,-1.8 5,-2.5 -4,-0.4 4,-1.7 0.932 94.6 50.6 -59.3 -41.4 1.4 -1.8 5.9 43 43 A A H 45S+ 0 0 47 -3,-0.5 52,-0.4 -4,-0.4 -1,-0.2 0.788 106.3 56.0 -63.9 -31.4 -2.3 -2.0 4.8 44 44 A V H <5S+ 0 0 11 -4,-0.6 51,-2.4 -3,-0.3 52,-0.7 0.940 114.5 37.6 -64.6 -49.4 -2.8 1.7 5.3 45 45 A F H <5S- 0 0 59 -4,-1.9 49,-0.2 49,-0.2 -2,-0.2 0.722 111.6-118.5 -75.1 -23.1 0.1 2.5 2.9 46 46 A G T <5 + 0 0 41 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.758 66.0 141.7 87.4 29.2 -0.8 -0.3 0.5 47 47 A F < - 0 0 33 -5,-2.5 -1,-0.3 -6,-0.2 3,-0.1 -0.734 58.2-134.2-104.2 155.0 2.6 -2.0 1.0 48 48 A S S S- 0 0 105 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.664 75.1 -58.8 -79.2 -16.2 3.2 -5.7 1.2 49 49 A G S > S- 0 0 19 -7,-0.1 3,-1.4 -8,-0.1 -1,-0.3 -0.969 73.4 -52.1 160.1-172.6 5.4 -5.2 4.3 50 50 A A T 3 S+ 0 0 25 -2,-0.3 -14,-0.1 1,-0.3 -15,-0.1 0.696 128.7 53.8 -66.0 -23.5 8.5 -3.5 5.6 51 51 A S T 3 S+ 0 0 115 4,-0.1 -1,-0.3 -19,-0.0 -19,-0.0 0.374 74.4 121.7 -93.7 5.6 10.6 -4.9 2.7 52 52 A D X> - 0 0 36 -3,-1.4 3,-1.7 1,-0.2 4,-0.5 -0.465 67.6-132.2 -63.3 133.4 8.4 -3.6 -0.1 53 53 A P H 3> S+ 0 0 111 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.719 103.1 73.7 -61.5 -21.2 10.6 -1.4 -2.3 54 54 A G H 3> S+ 0 0 23 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.789 87.3 66.0 -63.3 -26.3 7.8 1.3 -2.2 55 55 A V H <> S+ 0 0 1 -3,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.924 102.9 43.1 -62.1 -47.5 9.0 1.9 1.4 56 56 A A H X S+ 0 0 42 -4,-0.5 4,-1.8 -3,-0.4 -1,-0.2 0.901 114.8 50.7 -63.2 -45.7 12.4 3.2 0.3 57 57 A A H X S+ 0 0 52 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.939 115.6 40.6 -58.6 -53.9 10.8 5.3 -2.5 58 58 A L H X S+ 0 0 54 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.909 109.7 59.0 -67.0 -40.2 8.2 6.9 -0.1 59 59 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.915 106.4 50.1 -52.6 -43.4 10.8 7.4 2.7 60 60 A A H X S+ 0 0 31 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.896 109.6 49.7 -64.2 -38.4 12.9 9.5 0.4 61 61 A K H X S+ 0 0 145 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.898 109.9 51.6 -67.4 -42.3 9.9 11.7 -0.7 62 62 A V H X S+ 0 0 53 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.940 111.8 46.4 -59.8 -48.1 8.9 12.3 3.0 63 63 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.884 110.2 52.0 -65.7 -38.7 12.5 13.4 3.8 64 64 A A H X S+ 0 0 35 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.907 109.5 51.3 -63.4 -41.4 12.8 15.7 0.8 65 65 A Q H X S+ 0 0 48 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.912 106.7 53.0 -62.8 -38.0 9.5 17.3 1.9 66 66 A I H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.932 106.2 54.4 -62.2 -40.4 10.9 17.8 5.4 67 67 A G H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 106.8 51.2 -61.0 -38.0 13.9 19.6 3.9 68 68 A V H X S+ 0 0 61 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.922 110.0 48.4 -65.4 -49.6 11.5 22.0 2.0 69 69 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.909 109.7 53.6 -58.2 -38.4 9.7 22.8 5.3 70 70 A V H >< S+ 0 0 14 -4,-2.5 3,-1.7 1,-0.3 4,-0.2 0.880 101.7 59.1 -63.9 -39.1 13.1 23.4 7.0 71 71 A S H 3< S+ 0 0 87 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.707 108.8 45.9 -63.6 -21.7 14.0 25.9 4.3 72 72 A H T X< S+ 0 0 50 -3,-1.1 3,-1.9 -4,-0.8 7,-0.6 0.150 72.7 111.1-104.3 14.4 10.9 27.9 5.2 73 73 A L T < S+ 0 0 24 -3,-1.7 3,-0.3 1,-0.3 -71,-0.2 0.798 74.2 64.3 -58.2 -23.2 11.4 27.9 9.0 74 74 A G T 3 S+ 0 0 77 -3,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.701 109.6 39.0 -73.2 -19.3 12.1 31.7 8.6 75 75 A D X> - 0 0 68 -3,-1.9 4,-1.9 1,-0.1 3,-0.9 -0.757 68.7-176.6-134.9 83.4 8.5 32.2 7.4 76 76 A E H 3> S+ 0 0 98 -2,-0.4 4,-2.8 -3,-0.3 5,-0.3 0.770 81.9 62.6 -52.7 -36.4 6.2 30.0 9.4 77 77 A G H 3> S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.894 106.2 45.6 -57.6 -45.2 3.2 31.1 7.3 78 78 A K H <> S+ 0 0 102 -3,-0.9 4,-2.5 -6,-0.2 5,-0.3 0.926 112.9 49.6 -66.8 -45.8 4.9 29.6 4.2 79 79 A M H X S+ 0 0 4 -4,-1.9 4,-2.3 -7,-0.6 -2,-0.2 0.936 112.8 46.7 -59.7 -46.5 5.8 26.4 6.0 80 80 A V H X S+ 0 0 39 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.915 113.3 48.4 -61.7 -48.4 2.3 25.9 7.4 81 81 A A H X S+ 0 0 63 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.924 111.6 49.3 -61.5 -41.8 0.6 26.6 4.0 82 82 A Q H X S+ 0 0 66 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.906 113.3 46.3 -60.3 -48.1 2.9 24.2 2.2 83 83 A M H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.889 108.5 55.7 -68.8 -32.5 2.3 21.4 4.7 84 84 A K H X S+ 0 0 79 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.912 106.4 51.1 -64.7 -42.5 -1.4 22.0 4.6 85 85 A A H X S+ 0 0 48 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.897 109.4 50.1 -63.2 -36.1 -1.4 21.5 0.8 86 86 A V H X S+ 0 0 12 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.907 109.9 52.5 -65.8 -37.1 0.5 18.2 1.3 87 87 A G H X S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.893 105.4 52.7 -62.3 -44.3 -2.1 17.2 3.8 88 88 A V H >< S+ 0 0 66 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.917 105.2 56.4 -59.5 -36.0 -4.9 17.9 1.4 89 89 A R H >< S+ 0 0 124 -4,-1.7 3,-2.0 1,-0.3 -1,-0.2 0.889 96.6 64.3 -64.5 -33.6 -3.2 15.6 -1.1 90 90 A H H >< S+ 0 0 52 -4,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.647 80.3 80.3 -64.2 -18.7 -3.3 12.8 1.5 91 91 A K T << S+ 0 0 106 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.791 99.1 43.2 -60.8 -26.7 -7.1 12.8 1.3 92 92 A G T < S+ 0 0 70 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.3 0.309 102.7 92.1 -98.2 4.3 -6.6 10.8 -1.9 93 93 A Y < + 0 0 123 -3,-1.6 5,-0.2 -4,-0.1 3,-0.1 -0.673 63.9 18.1-107.2 158.7 -3.9 8.4 -0.6 94 94 A G S S- 0 0 43 -2,-0.3 -49,-0.2 -49,-0.2 -50,-0.1 -0.001 71.2 -98.6 79.6 175.0 -3.6 5.0 1.0 95 95 A N S S+ 0 0 109 -51,-2.4 2,-0.3 -52,-0.4 -51,-0.2 0.534 101.7 46.7-108.4 -13.3 -6.0 2.0 1.3 96 96 A K S S- 0 0 108 -52,-0.7 2,-0.0 -3,-0.1 -3,-0.0 -0.880 103.5 -81.6-126.9 157.0 -7.3 2.7 4.8 97 97 A H - 0 0 149 -2,-0.3 2,-0.7 1,-0.1 -2,-0.1 -0.412 47.0-126.0 -55.3 133.0 -8.5 6.0 6.4 98 98 A I - 0 0 28 -5,-0.2 2,-0.3 -8,-0.2 -1,-0.1 -0.752 30.0-157.8 -86.0 115.6 -5.4 8.0 7.5 99 99 A K > - 0 0 90 -2,-0.7 3,-1.6 1,-0.1 4,-0.4 -0.655 25.1-128.3 -96.3 146.3 -5.9 8.8 11.2 100 100 A A G > S+ 0 0 30 1,-0.3 3,-1.2 -2,-0.3 4,-0.5 0.808 107.4 67.5 -57.7 -31.5 -4.2 11.7 13.1 101 101 A Q G > S+ 0 0 137 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.770 86.7 67.4 -60.9 -26.3 -3.1 9.1 15.7 102 102 A Y G <> S+ 0 0 63 -3,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.731 88.5 68.5 -67.0 -22.5 -0.8 7.5 13.2 103 103 A F H <> S+ 0 0 20 -3,-1.2 4,-1.8 -4,-0.4 -1,-0.2 0.817 88.0 62.4 -69.7 -31.3 1.5 10.5 13.2 104 104 A E H <> S+ 0 0 163 -3,-0.7 4,-1.6 -4,-0.5 3,-0.4 0.961 106.2 41.5 -65.5 -53.5 2.8 10.2 16.7 105 105 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.836 111.1 58.3 -63.3 -27.8 4.6 6.9 16.3 106 106 A L H X S+ 0 0 34 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.924 104.1 53.4 -66.0 -37.5 5.8 8.0 12.9 107 107 A G H X S+ 0 0 5 -4,-1.8 4,-2.9 -3,-0.4 -1,-0.2 0.872 107.5 49.9 -60.8 -43.5 7.5 11.0 14.7 108 108 A A H X S+ 0 0 67 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.927 111.0 48.7 -63.7 -42.1 9.2 8.6 17.1 109 109 A S H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.914 111.9 50.8 -63.7 -41.0 10.5 6.5 14.2 110 110 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 110.2 47.1 -64.4 -50.5 11.8 9.7 12.4 111 111 A L H X S+ 0 0 35 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.864 112.3 50.9 -62.2 -30.8 13.7 11.0 15.4 112 112 A S H X S+ 0 0 51 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.926 110.3 48.9 -70.5 -40.4 15.3 7.6 16.0 113 113 A A H X S+ 0 0 2 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.874 109.4 52.8 -66.6 -35.0 16.4 7.4 12.4 114 114 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 3,-0.4 0.955 110.7 47.7 -63.8 -41.8 17.8 10.9 12.5 115 115 A E H X S+ 0 0 68 -4,-2.0 4,-2.9 1,-0.3 -2,-0.2 0.896 104.7 59.4 -64.4 -37.2 19.8 9.9 15.6 116 116 A H H < S+ 0 0 118 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.888 114.2 38.1 -61.7 -33.5 21.1 6.7 14.0 117 117 A R H < S+ 0 0 92 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.940 126.5 31.8 -81.7 -51.3 22.6 8.9 11.3 118 118 A I H >< S- 0 0 12 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.484 81.3-177.7 -89.5 -7.2 23.9 11.9 13.2 119 119 A G G >< S+ 0 0 33 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 -0.187 70.3 14.1 54.0-129.5 24.8 10.2 16.6 120 120 A G G 3 S+ 0 0 75 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.627 115.2 72.8 -55.1 -19.3 26.1 12.7 19.2 121 121 A K G < S+ 0 0 115 -3,-1.9 2,-1.7 1,-0.2 -1,-0.3 0.764 81.1 77.1 -70.7 -18.1 24.9 15.7 17.2 122 122 A M S < S+ 0 0 7 -3,-2.1 -1,-0.2 -7,-0.2 2,-0.1 -0.612 74.3 153.4 -87.6 70.6 21.3 14.7 18.2 123 123 A N > - 0 0 91 -2,-1.7 4,-3.0 4,-0.0 5,-0.3 -0.107 62.6 -73.5 -87.2-166.8 21.8 16.1 21.8 124 124 A A H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 132.6 47.4 -57.7 -45.0 19.2 17.5 24.2 125 125 A A H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 112.9 48.4 -67.8 -37.9 18.7 20.7 22.3 126 126 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.879 110.7 50.9 -69.9 -41.0 18.3 18.9 19.0 127 127 A K H X S+ 0 0 96 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.916 113.3 45.5 -63.6 -42.5 15.8 16.3 20.4 128 128 A D H X S+ 0 0 95 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.930 116.2 45.5 -62.3 -47.0 13.7 19.1 21.8 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.895 113.5 48.0 -66.7 -44.5 13.8 21.2 18.7 130 130 A W H X S+ 0 0 1 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.843 109.2 53.5 -69.6 -31.3 13.1 18.3 16.3 131 131 A A H X S+ 0 0 51 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.922 113.1 44.3 -63.5 -43.9 10.2 17.1 18.5 132 132 A A H X S+ 0 0 24 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.956 114.1 49.5 -66.2 -42.3 8.7 20.7 18.2 133 133 A A H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.931 111.5 48.7 -64.5 -42.9 9.4 20.9 14.4 134 134 A Y H X S+ 0 0 32 -4,-3.0 4,-2.9 1,-0.2 5,-0.4 0.872 110.0 52.8 -64.8 -38.5 7.8 17.5 13.9 135 135 A A H X S+ 0 0 53 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.909 113.1 43.8 -60.5 -41.1 4.7 18.7 15.9 136 136 A D H X S+ 0 0 43 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.909 117.9 43.8 -70.0 -44.9 4.4 21.8 13.7 137 137 A I H X S+ 0 0 9 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.954 119.1 41.1 -69.4 -50.4 5.0 20.0 10.4 138 138 A S H X S+ 0 0 14 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.866 113.1 55.0 -63.4 -40.5 2.7 17.0 11.2 139 139 A G H X S+ 0 0 35 -4,-1.8 4,-2.0 -5,-0.4 -1,-0.2 0.875 108.7 48.2 -62.1 -39.2 0.1 19.3 12.8 140 140 A A H X S+ 0 0 6 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.920 112.0 49.3 -70.6 -40.3 -0.1 21.4 9.6 141 141 A L H X S+ 0 0 17 -4,-2.1 4,-2.7 1,-0.2 3,-0.2 0.939 110.9 49.8 -62.8 -46.0 -0.4 18.3 7.4 142 142 A I H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.876 105.8 56.6 -59.9 -39.2 -3.2 16.9 9.6 143 143 A S H X S+ 0 0 50 -4,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.890 111.5 43.7 -60.3 -41.0 -5.1 20.2 9.4 144 144 A G H >< S+ 0 0 1 -4,-1.6 3,-1.1 -3,-0.2 -2,-0.2 0.932 112.0 53.1 -66.9 -46.4 -5.1 19.9 5.6 145 145 A L H 3< S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.860 114.7 42.2 -58.0 -36.9 -6.0 16.2 5.8 146 146 A Q H 3< 0 0 130 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.424 360.0 360.0 -92.8 -1.2 -9.0 17.0 8.0 147 147 A S << 0 0 118 -3,-1.1 -3,-0.1 -4,-0.5 -4,-0.0 -0.041 360.0 360.0 -70.0 360.0 -10.2 20.1 6.1