==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 20-JUN-01 1JF4 . COMPND 2 MOLECULE: MONOMER HEMOGLOBIN COMPONENT IV; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCERA DIBRANCHIATA; . AUTHOR H.J.PARK,C.YANG,N.TREFF,J.D.SATTERLEE,C.H.KANG . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 77.6 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 . 18 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 61.2 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 1 0 0 0 0 0 0 0 0 0 2 1 1 0 0 1 0 0 1 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 G 0 0 74 0, 0.0 75,-0.1 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 -52.4 -7.4 -11.9 31.8 2 2 A L - 0 0 26 4,-0.0 2,-0.0 5,-0.0 127,-0.0 0.804 360.0-123.4 74.8 118.0 -9.6 -13.8 34.3 3 3 A S > - 0 0 61 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.307 30.5-105.2 -75.6 167.4 -8.2 -16.0 37.1 4 4 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.891 124.5 52.4 -61.5 -36.2 -9.1 -19.7 37.5 5 5 A A H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 110.7 46.9 -65.5 -38.7 -11.4 -18.7 40.4 6 6 A Q H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.8 51.3 -70.7 -40.5 -13.1 -16.0 38.3 7 7 A R H X S+ 0 0 102 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.872 111.7 49.3 -59.9 -37.9 -13.5 -18.5 35.3 8 8 A Q H X S+ 0 0 124 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.861 109.7 49.9 -71.8 -39.6 -15.1 -20.9 37.8 9 9 A V H X S+ 0 0 34 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.939 114.1 44.3 -66.7 -43.8 -17.5 -18.4 39.3 10 10 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.915 112.9 52.0 -69.3 -36.6 -18.7 -17.2 35.8 11 11 A A H X S+ 0 0 52 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.879 114.6 42.3 -65.1 -38.7 -19.0 -20.8 34.5 12 12 A S H X S+ 0 0 53 -4,-1.8 4,-0.6 2,-0.2 3,-0.4 0.877 115.6 46.0 -78.0 -39.6 -21.1 -21.9 37.5 13 13 A T H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.766 100.7 69.8 -74.7 -23.6 -23.4 -18.8 37.7 14 14 A W H X S+ 0 0 28 -4,-1.9 4,-3.4 -5,-0.2 5,-0.3 0.853 90.9 61.5 -57.9 -35.0 -24.0 -19.0 33.9 15 15 A K H X S+ 0 0 158 -4,-0.6 4,-1.3 -3,-0.4 -1,-0.2 0.915 110.9 38.6 -57.3 -41.8 -26.0 -22.2 34.6 16 16 A D H < S+ 0 0 54 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.855 116.6 50.4 -76.6 -37.2 -28.4 -20.1 36.7 17 17 A I H < S+ 0 0 0 -4,-2.3 9,-0.3 1,-0.2 6,-0.2 0.903 110.6 50.4 -67.0 -40.8 -28.3 -17.0 34.3 18 18 A A H >X>S+ 0 0 11 -4,-3.4 5,-2.3 -5,-0.2 3,-1.2 0.872 83.1 164.5 -64.7 -37.4 -29.0 -19.2 31.3 19 19 A G T 3<5 - 0 0 49 -4,-1.3 3,-0.2 -5,-0.3 -1,-0.2 -0.266 68.5 -43.8 55.4-137.5 -32.0 -20.9 33.0 20 20 A S T 345S+ 0 0 133 1,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.329 139.5 56.6-106.3 7.1 -34.2 -22.7 30.5 21 21 A D T X45S- 0 0 59 -3,-1.2 3,-1.7 39,-0.0 -2,-0.2 0.155 109.9-110.8-120.2 15.4 -34.2 -20.0 27.8 22 22 A N T 3<5S- 0 0 83 -4,-0.5 45,-0.2 1,-0.3 -3,-0.2 0.844 77.1 -55.8 53.7 41.2 -30.4 -19.7 27.3 23 23 A G T 3> S+ 0 0 30 -3,-1.7 4,-2.1 -6,-0.3 5,-0.1 0.899 72.2 50.3 -59.6 -41.1 -33.1 -14.8 26.5 25 25 A G H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 110.3 50.2 -61.9 -39.9 -35.1 -13.2 29.3 26 26 A V H > S+ 0 0 1 -9,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.864 110.4 51.2 -63.6 -40.0 -31.9 -11.5 30.6 27 27 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.874 109.6 48.8 -65.8 -41.3 -31.1 -10.3 27.1 28 28 A K H X S+ 0 0 110 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.955 113.7 46.1 -64.7 -50.8 -34.5 -8.8 26.7 29 29 A E H X S+ 0 0 52 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.914 111.6 53.3 -60.4 -44.1 -34.3 -7.0 30.1 30 30 A C H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.950 115.5 36.3 -56.3 -57.1 -30.8 -5.7 29.4 31 31 A F H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.825 115.7 55.2 -72.3 -28.8 -31.4 -4.1 26.1 32 32 A T H X S+ 0 0 40 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.958 113.8 40.1 -67.6 -48.4 -35.0 -2.9 27.1 33 33 A K H X S+ 0 0 72 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.885 114.7 53.9 -66.1 -39.0 -33.7 -1.0 30.2 34 34 A F H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.942 112.8 42.1 -60.7 -49.0 -30.6 0.2 28.3 35 35 A L H < S+ 0 0 1 -4,-2.4 15,-0.2 1,-0.2 7,-0.2 0.746 111.4 55.4 -72.5 -23.1 -32.6 1.8 25.5 36 36 A S H < S+ 0 0 63 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.816 113.0 43.6 -72.5 -30.1 -35.3 3.2 27.9 37 37 A A H < S+ 0 0 71 -4,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.789 124.5 32.8 -83.5 -31.7 -32.4 5.0 29.8 38 38 A H >< + 0 0 68 -4,-1.8 3,-2.0 -5,-0.2 4,-0.4 -0.746 61.1 173.8-132.1 86.7 -30.6 6.2 26.7 39 39 A H G > S+ 0 0 141 -2,-0.4 3,-1.1 -3,-0.3 4,-0.4 0.763 78.6 69.1 -61.5 -26.5 -33.1 7.0 23.9 40 40 A D G 3 S+ 0 0 109 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.679 90.6 62.0 -65.2 -22.9 -30.2 8.3 21.9 41 41 A M G X> S+ 0 0 16 -3,-2.0 4,-1.4 1,-0.2 3,-0.8 0.700 80.6 80.9 -80.9 -17.2 -28.8 4.8 21.6 42 42 A A H <>>S+ 0 0 10 -3,-1.1 5,-2.2 -4,-0.4 4,-1.1 0.908 91.3 52.3 -56.3 -40.9 -31.9 3.5 19.7 43 43 A A H 345S+ 0 0 69 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.781 102.7 58.6 -64.4 -28.3 -30.5 5.0 16.4 44 44 A V H <45S+ 0 0 12 -3,-0.8 51,-1.9 -4,-0.3 -1,-0.2 0.866 112.2 40.3 -69.1 -36.5 -27.1 3.2 16.9 45 45 A F H <5S- 0 0 53 -4,-1.4 49,-0.4 -3,-0.4 -1,-0.2 0.653 112.7-118.7 -81.2 -19.3 -28.9 -0.2 17.0 46 46 A G T <5 + 0 0 55 -4,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.698 68.7 137.8 82.9 20.5 -31.3 0.8 14.1 47 47 A F < - 0 0 36 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.683 61.0-133.2 -98.1 155.0 -34.3 0.3 16.4 48 48 A S S S- 0 0 103 -2,-0.2 2,-0.3 1,-0.2 -5,-0.1 0.752 76.0 -57.5 -74.7 -23.7 -37.4 2.5 16.7 49 49 A G S > S- 0 0 21 -7,-0.1 3,-1.4 -8,-0.1 -1,-0.2 -0.962 75.6 -51.8 165.6-170.6 -37.2 2.6 20.5 50 50 A A T 3 S+ 0 0 22 -2,-0.3 -14,-0.1 1,-0.3 -15,-0.1 0.733 128.5 52.5 -66.1 -25.4 -37.2 0.2 23.5 51 51 A S T 3 S+ 0 0 116 -16,-0.1 -1,-0.3 4,-0.1 -19,-0.0 0.339 75.5 126.5 -94.7 6.9 -40.3 -1.6 22.5 52 52 A D X> - 0 0 35 -3,-1.4 3,-2.1 1,-0.1 4,-0.5 -0.442 69.1-125.7 -58.7 133.4 -39.1 -2.5 18.9 53 53 A P H 3> S+ 0 0 112 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.804 107.0 70.9 -50.2 -31.3 -39.4 -6.4 18.4 54 54 A G H 3> S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.694 85.4 67.0 -60.2 -24.0 -35.7 -6.3 17.4 55 55 A V H <> S+ 0 0 2 -3,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.946 103.6 41.8 -65.8 -50.7 -34.7 -5.7 21.1 56 56 A A H X S+ 0 0 35 -4,-0.5 4,-1.8 -3,-0.4 -2,-0.2 0.876 116.3 51.3 -64.3 -35.1 -35.9 -9.1 22.4 57 57 A D H X S+ 0 0 90 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.936 112.7 43.6 -67.3 -47.6 -34.4 -10.7 19.3 58 58 A L H X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.908 110.3 57.3 -63.7 -42.4 -31.0 -9.1 19.7 59 59 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.854 106.6 48.7 -57.2 -40.2 -31.1 -9.8 23.5 60 60 A A H X S+ 0 0 34 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.926 113.3 47.4 -66.6 -44.2 -31.5 -13.5 22.9 61 61 A K H X S+ 0 0 128 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.847 111.7 49.4 -65.4 -36.5 -28.6 -13.6 20.3 62 62 A V H X S+ 0 0 42 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.949 114.0 44.8 -68.7 -46.6 -26.2 -11.6 22.6 63 63 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.826 110.3 54.4 -70.3 -28.3 -26.8 -13.8 25.6 64 64 A A H X S+ 0 0 32 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.869 109.7 48.6 -69.2 -36.7 -26.5 -17.0 23.5 65 65 A Q H X S+ 0 0 53 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.804 106.7 55.1 -71.5 -34.3 -23.1 -15.8 22.3 66 66 A I H X S+ 0 0 11 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.897 105.3 54.7 -65.2 -37.9 -22.0 -15.0 25.9 67 67 A G H X S+ 0 0 11 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.847 109.3 46.5 -61.2 -36.6 -22.9 -18.7 26.6 68 68 A V H X S+ 0 0 57 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.932 112.7 49.5 -69.6 -45.3 -20.6 -19.8 23.8 69 69 A A H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.883 109.7 52.7 -59.2 -39.1 -17.9 -17.4 25.1 70 70 A V H >< S+ 0 0 12 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.877 106.2 52.5 -64.3 -40.0 -18.4 -18.8 28.7 71 71 A S H 3< S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.702 114.2 44.2 -70.5 -16.9 -17.9 -22.5 27.4 72 72 A H T >< S+ 0 0 39 -4,-1.0 3,-2.1 -3,-0.5 7,-0.5 0.292 78.0 109.8-106.6 9.0 -14.6 -21.4 25.8 73 73 A L T < + 0 0 18 -3,-1.1 3,-0.2 1,-0.3 -1,-0.1 0.738 69.0 65.4 -60.8 -25.1 -13.2 -19.3 28.7 74 74 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.558 102.6 50.3 -72.9 -13.9 -10.5 -21.9 29.5 75 75 A D S X> S- 0 0 89 -3,-2.1 4,-2.1 1,-0.1 3,-0.7 -0.828 70.6-176.8-125.7 94.8 -8.9 -21.2 26.1 76 76 A E H 3> S+ 0 0 100 -2,-0.4 4,-3.0 1,-0.3 5,-0.3 0.873 80.9 55.9 -61.4 -42.6 -8.5 -17.4 25.9 77 77 A G H 3> S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.807 109.7 48.0 -59.6 -33.4 -7.1 -17.3 22.4 78 78 A K H <> S+ 0 0 102 -3,-0.7 4,-2.4 -6,-0.2 -2,-0.2 0.941 112.8 47.0 -71.1 -49.7 -10.2 -19.3 21.2 79 79 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 -7,-0.5 -2,-0.2 0.899 114.8 45.8 -60.3 -43.2 -12.7 -17.0 23.0 80 80 A V H X S+ 0 0 35 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.893 110.5 53.8 -73.9 -33.1 -11.0 -13.8 21.7 81 81 A A H X S+ 0 0 59 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.938 112.4 43.6 -64.9 -43.2 -10.7 -15.1 18.1 82 82 A E H X S+ 0 0 42 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.869 114.4 49.3 -72.4 -33.1 -14.4 -15.8 18.0 83 83 A M H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.836 107.5 55.4 -72.5 -29.2 -15.4 -12.6 19.7 84 84 A K H X S+ 0 0 99 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.918 106.2 51.9 -63.8 -41.4 -13.2 -10.6 17.2 85 85 A A H X S+ 0 0 44 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.878 108.5 49.7 -62.3 -40.8 -15.1 -12.2 14.4 86 86 A V H X S+ 0 0 14 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.932 111.7 51.2 -60.5 -41.8 -18.4 -11.1 16.0 87 87 A G H < S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 4,-0.3 0.837 103.1 56.2 -64.4 -40.9 -16.8 -7.6 16.2 88 88 A V H >< S+ 0 0 67 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.900 105.3 53.9 -59.8 -39.8 -15.7 -7.5 12.5 89 89 A R H >< S+ 0 0 128 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.788 95.3 68.6 -65.7 -27.8 -19.4 -8.1 11.6 90 90 A H G >< S+ 0 0 38 -4,-0.9 3,-0.9 -3,-0.4 8,-0.3 0.584 78.9 79.0 -68.7 -10.8 -20.5 -5.1 13.8 91 91 A K G < S+ 0 0 86 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.871 102.6 37.7 -59.1 -34.0 -18.8 -2.8 11.2 92 92 A G G < S+ 0 0 48 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 0.261 99.8 104.2-103.7 11.0 -21.9 -3.3 9.1 93 93 A Y S < S- 0 0 110 -3,-0.9 5,-0.2 2,-0.1 4,-0.2 -0.637 83.1 -24.9 -99.0 156.3 -24.6 -3.3 11.9 94 94 A G S S- 0 0 43 -49,-0.4 2,-0.4 -2,-0.2 -49,-0.2 -0.219 131.8 -8.5 51.9-129.6 -27.1 -0.7 13.0 95 95 A N S S- 0 0 53 -51,-1.9 2,-0.8 1,-0.1 3,-0.3 -0.792 88.7-118.3 -80.5 143.7 -25.9 2.8 12.1 96 96 A K S S+ 0 0 147 -2,-0.4 -2,-0.1 1,-0.2 -52,-0.1 0.118 98.5 86.7 -83.0 38.1 -22.3 1.7 10.9 97 97 A H + 0 0 128 -2,-0.8 2,-0.4 -53,-0.2 -1,-0.2 -0.303 50.1 158.1-128.6 44.1 -20.9 3.9 13.7 98 98 A I - 0 0 32 -8,-0.3 2,-0.3 -3,-0.3 -5,-0.0 -0.603 26.7-156.8 -74.0 126.2 -20.8 1.6 16.8 99 99 A K > - 0 0 99 -2,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.825 25.9-121.7-111.3 150.3 -18.2 3.0 19.1 100 100 A A G > S+ 0 0 29 -2,-0.3 3,-1.3 1,-0.3 4,-0.5 0.793 106.9 67.0 -57.3 -31.9 -16.2 1.5 21.9 101 101 A E G 3 S+ 0 0 122 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.716 90.0 65.3 -63.4 -24.5 -17.6 3.9 24.5 102 102 A Y G <> S+ 0 0 54 -3,-1.6 4,-1.0 1,-0.2 -1,-0.3 0.734 89.5 66.7 -71.7 -23.5 -21.1 2.4 24.2 103 103 A F H <> S+ 0 0 23 -3,-1.3 4,-1.6 -4,-0.4 -1,-0.2 0.799 90.3 60.8 -71.5 -30.0 -20.0 -1.0 25.6 104 104 A E H > S+ 0 0 167 -4,-0.5 4,-1.3 -3,-0.4 3,-0.4 0.959 106.7 43.0 -70.4 -48.4 -19.3 0.1 29.1 105 105 A P H > S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.824 111.5 57.3 -62.1 -26.3 -22.8 1.4 30.0 106 106 A L H X S+ 0 0 23 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.873 101.6 57.1 -68.9 -35.3 -24.3 -1.7 28.3 107 107 A G H X S+ 0 0 6 -4,-1.6 4,-2.4 -3,-0.4 5,-0.2 0.893 102.5 53.2 -60.4 -43.5 -22.2 -3.8 30.7 108 108 A A H X S+ 0 0 65 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.870 110.6 47.5 -59.8 -39.6 -23.8 -2.2 33.7 109 109 A S H X S+ 0 0 20 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.828 109.7 52.6 -73.3 -34.5 -27.3 -3.1 32.3 110 110 A L H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.955 110.1 47.9 -65.7 -45.8 -26.3 -6.7 31.6 111 111 A L H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.863 111.5 51.4 -62.4 -35.5 -25.0 -7.2 35.2 112 112 A S H X S+ 0 0 53 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.907 110.4 47.2 -66.4 -45.2 -28.2 -5.7 36.5 113 113 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.895 111.9 52.0 -65.6 -38.0 -30.4 -8.0 34.4 114 114 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.910 110.8 46.6 -62.6 -46.1 -28.4 -11.0 35.5 115 115 A E H X S+ 0 0 82 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.853 106.5 59.0 -65.9 -35.6 -28.7 -10.1 39.1 116 116 A H H < S+ 0 0 134 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.2 41.2 -62.9 -35.6 -32.5 -9.6 38.6 117 117 A R H < S+ 0 0 88 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.910 126.1 29.3 -78.4 -46.5 -32.8 -13.2 37.4 118 118 A I H >< S- 0 0 17 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.509 85.2-168.9 -98.9 2.1 -30.5 -15.0 39.9 119 119 A G G >< S+ 0 0 35 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 -0.285 70.1 8.1 59.2-125.7 -30.8 -12.7 43.0 120 120 A G G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.501 115.3 76.7 -67.7 -10.3 -28.3 -13.4 45.8 121 121 A K G < S+ 0 0 108 -3,-1.6 2,-1.5 1,-0.2 -1,-0.3 0.729 83.2 71.5 -70.6 -23.1 -26.3 -15.9 43.7 122 122 A M S < S+ 0 0 3 -3,-1.6 -1,-0.2 -7,-0.2 -3,-0.1 -0.623 77.8 159.0 -92.8 70.5 -25.0 -12.7 42.0 123 123 A N > - 0 0 83 -2,-1.5 4,-2.4 -3,-0.1 5,-0.2 -0.175 59.9 -80.1 -82.5-174.8 -22.9 -11.9 45.1 124 124 A A H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.861 131.2 49.8 -59.2 -38.8 -19.8 -9.5 45.2 125 125 A A H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.1 47.9 -65.3 -41.8 -17.5 -12.3 43.9 126 126 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.886 110.7 51.0 -67.0 -38.5 -19.8 -13.1 41.0 127 127 A K H X S+ 0 0 83 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.890 112.7 46.2 -66.9 -39.4 -20.2 -9.4 40.0 128 128 A D H X S+ 0 0 98 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.890 113.5 48.7 -70.0 -40.6 -16.5 -8.9 40.0 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.911 115.0 44.8 -66.2 -41.8 -15.9 -12.1 38.0 130 130 A W H X S+ 0 0 3 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.853 110.4 52.9 -71.2 -34.8 -18.6 -11.1 35.4 131 131 A A H X S+ 0 0 45 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 113.1 46.5 -65.0 -38.6 -17.4 -7.5 35.2 132 132 A A H X S+ 0 0 26 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.932 115.2 45.6 -64.1 -45.7 -13.9 -9.0 34.4 133 133 A A H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 112.4 49.9 -65.4 -44.1 -15.5 -11.5 31.9 134 134 A Y H X S+ 0 0 31 -4,-3.3 4,-2.8 1,-0.2 5,-0.4 0.917 108.1 55.6 -62.0 -40.9 -17.6 -8.7 30.2 135 135 A A H X S+ 0 0 55 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.905 112.9 41.1 -57.5 -41.0 -14.4 -6.6 30.0 136 136 A D H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.914 117.1 46.8 -70.9 -43.3 -12.6 -9.4 28.1 137 137 A I H X S+ 0 0 8 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.938 118.8 39.6 -67.9 -48.6 -15.6 -10.4 25.9 138 138 A S H X S+ 0 0 12 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.893 113.0 57.4 -68.0 -37.2 -16.5 -6.8 24.9 139 139 A G H X S+ 0 0 29 -4,-1.8 4,-2.1 -5,-0.4 -2,-0.2 0.890 108.3 46.3 -59.1 -41.8 -12.8 -5.9 24.6 140 140 A A H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.902 112.3 50.0 -70.6 -39.8 -12.3 -8.7 22.0 141 141 A L H X S+ 0 0 17 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.942 109.9 51.2 -61.5 -48.4 -15.4 -7.6 20.1 142 142 A I H X S+ 0 0 27 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.890 106.8 55.2 -55.0 -41.0 -14.2 -4.0 20.1 143 143 A S H < S+ 0 0 57 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.897 109.7 45.3 -60.2 -41.9 -10.8 -5.3 18.7 144 144 A G H >< S+ 0 0 1 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.903 112.9 51.5 -65.6 -41.3 -12.7 -6.9 15.8 145 145 A L H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 114.9 41.9 -62.4 -37.0 -14.8 -3.8 15.2 146 146 A Q T 3< 0 0 136 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.391 360.0 360.0 -92.2 3.6 -11.7 -1.6 15.1 147 147 A S < 0 0 118 -3,-0.8 -3,-0.1 -4,-0.4 -4,-0.0 -0.247 360.0 360.0 -74.6 360.0 -9.6 -3.9 13.0