==== 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 1JF3 . COMPND 2 MOLECULE: MONOMER HEMOGLOBIN COMPONENT III; . 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) . 7372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 79.6 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 . 23 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 59.9 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 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 72 0, 0.0 2,-0.4 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0-179.3 -7.5 -12.4 31.4 2 2 A L - 0 0 26 71,-0.2 2,-0.1 131,-0.0 74,-0.1 -0.951 360.0-123.2-119.3 142.8 -9.4 -14.2 34.1 3 3 A S > - 0 0 60 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.399 33.4-106.7 -74.4 162.1 -8.1 -16.1 37.1 4 4 A A H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.841 122.2 52.9 -58.6 -33.2 -9.1 -19.8 37.5 5 5 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 109.0 48.5 -70.9 -37.3 -11.4 -18.7 40.4 6 6 A Q H > S+ 0 0 42 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.940 111.3 49.0 -68.6 -46.3 -13.1 -16.0 38.3 7 7 A R H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.847 110.7 52.4 -60.6 -34.5 -13.8 -18.4 35.3 8 8 A Q H X S+ 0 0 124 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.891 111.0 45.6 -70.4 -40.3 -15.2 -21.0 37.8 9 9 A V H X S+ 0 0 38 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.920 114.8 48.0 -67.2 -43.5 -17.6 -18.4 39.3 10 10 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.942 114.0 47.2 -60.9 -47.2 -18.6 -17.2 35.8 11 11 A A H X S+ 0 0 52 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.852 113.9 47.6 -61.5 -39.2 -19.1 -20.8 34.6 12 12 A S H < S+ 0 0 65 -4,-1.9 4,-0.5 1,-0.2 3,-0.5 0.929 115.0 42.4 -72.0 -49.4 -21.1 -21.7 37.7 13 13 A T H >X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.2 3,-0.6 0.745 100.7 71.4 -71.8 -24.9 -23.5 -18.7 37.7 14 14 A W H 3X S+ 0 0 28 -4,-2.0 4,-3.2 -5,-0.2 5,-0.2 0.880 90.6 62.3 -56.6 -37.0 -24.0 -18.9 33.9 15 15 A K H 3X S+ 0 0 160 -4,-0.8 4,-0.9 -3,-0.5 -1,-0.2 0.873 109.9 38.7 -55.7 -39.7 -26.1 -22.1 34.5 16 16 A D H <4 S+ 0 0 54 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.822 115.4 52.6 -80.8 -33.1 -28.6 -20.0 36.6 17 17 A I H < S+ 0 0 0 -4,-2.1 9,-0.3 1,-0.2 -2,-0.2 0.878 107.6 52.4 -67.8 -39.5 -28.4 -17.0 34.2 18 18 A A H ><>S+ 0 0 12 -4,-3.2 5,-2.6 -5,-0.2 3,-1.2 0.829 84.0 166.5 -61.5 -36.5 -29.2 -19.2 31.2 19 19 A G T 3<5 - 0 0 47 -4,-0.9 3,-0.2 1,-0.2 -1,-0.2 -0.224 67.6 -42.3 54.3-132.7 -32.2 -20.6 33.1 20 20 A A T 3 5S+ 0 0 112 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.400 138.8 56.3-105.2 3.0 -34.5 -22.5 30.7 21 21 A D T X 5S- 0 0 63 -3,-1.2 3,-1.8 39,-0.0 -2,-0.2 0.088 111.4-105.1-123.0 20.7 -34.2 -20.0 27.8 22 22 A N T 3 5S- 0 0 85 -4,-0.5 -3,-0.2 1,-0.3 45,-0.2 0.847 79.2 -58.9 53.1 39.6 -30.4 -19.8 27.2 23 23 A G T >> S+ 0 0 30 -3,-1.8 4,-1.7 -6,-0.3 3,-0.3 0.898 70.9 51.3 -52.6 -44.9 -33.0 -14.9 26.3 25 25 A G H 3> S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.829 107.8 52.3 -61.0 -37.8 -35.0 -13.1 29.1 26 26 A V H <> S+ 0 0 2 -3,-0.5 4,-2.4 -9,-0.3 -1,-0.2 0.853 108.9 51.6 -65.1 -37.5 -31.8 -11.5 30.5 27 27 A G H X S+ 0 0 1 -4,-1.7 4,-2.2 -3,-0.3 5,-0.2 0.855 108.1 50.2 -68.6 -38.6 -31.0 -10.2 27.0 28 28 A K H X S+ 0 0 110 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.972 113.9 44.4 -63.3 -54.8 -34.4 -8.6 26.5 29 29 A E H X S+ 0 0 32 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.893 112.6 53.1 -59.1 -42.7 -34.2 -6.9 29.9 30 30 A C H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.962 116.0 36.7 -55.1 -58.6 -30.6 -5.7 29.3 31 31 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.847 116.6 54.9 -66.2 -35.4 -31.2 -4.1 26.0 32 32 A S H X S+ 0 0 28 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.977 113.1 39.5 -60.1 -59.8 -34.6 -2.8 27.0 33 33 A K H X S+ 0 0 116 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.846 113.9 56.4 -60.5 -38.9 -33.4 -1.0 30.1 34 34 A F H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.927 111.3 40.9 -60.9 -49.0 -30.2 0.2 28.3 35 35 A I H < S+ 0 0 4 -4,-2.2 7,-0.2 2,-0.2 6,-0.2 0.889 113.7 54.3 -71.2 -35.0 -32.2 1.9 25.5 36 36 A S H < S+ 0 0 78 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 115.0 40.4 -58.4 -44.8 -34.8 3.3 28.0 37 37 A A H < S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 126.5 35.8 -73.2 -32.8 -32.0 4.9 30.0 38 38 A H >< + 0 0 65 -4,-1.9 3,-2.1 -5,-0.2 4,-0.3 -0.718 69.7 177.4-126.0 79.1 -30.1 6.0 27.0 39 39 A P G > S+ 0 0 92 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.805 76.1 63.7 -57.9 -32.2 -32.7 7.0 24.3 40 40 A E G 3 S+ 0 0 121 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.651 90.2 71.0 -68.0 -13.4 -30.1 8.2 21.7 41 41 A M G X> S+ 0 0 10 -3,-2.1 4,-1.7 -6,-0.2 3,-0.6 0.695 77.8 75.8 -75.6 -21.1 -28.9 4.5 21.6 42 42 A A T <4>S+ 0 0 11 -3,-1.5 5,-1.9 -4,-0.3 -1,-0.2 0.911 95.7 51.2 -55.9 -42.3 -32.0 3.3 19.8 43 43 A A T 345S+ 0 0 70 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.763 102.9 58.2 -66.7 -27.5 -30.7 4.9 16.6 44 44 A V T <45S+ 0 0 13 -3,-0.6 51,-2.2 -4,-0.4 52,-0.4 0.924 111.1 45.0 -69.4 -46.1 -27.2 3.1 17.0 45 45 A F T <5S- 0 0 38 -4,-1.7 2,-0.6 49,-0.2 48,-0.0 -0.455 113.0-106.4 -74.8 164.1 -29.0 -0.2 17.0 46 46 A G T 5S+ 0 0 68 -2,-0.1 2,-0.2 48,-0.1 -3,-0.2 -0.007 77.6 131.9 -86.1 45.6 -31.6 -0.1 14.1 47 47 A F < - 0 0 35 -5,-1.9 3,-0.1 -2,-0.6 -2,-0.1 -0.624 62.4-144.3-105.6 155.8 -34.5 0.2 16.5 48 48 A S S S- 0 0 107 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.717 78.2 -59.5 -77.7 -25.3 -37.6 2.5 16.9 49 49 A G S > S- 0 0 19 -7,-0.2 3,-1.1 -8,-0.1 -1,-0.3 -0.979 73.7 -50.8 169.1-166.4 -37.2 2.3 20.7 50 50 A A T 3 S+ 0 0 25 -2,-0.3 -14,-0.1 1,-0.3 -15,-0.1 0.698 129.2 53.9 -68.7 -20.2 -37.1 0.0 23.7 51 51 A S T 3 S+ 0 0 117 4,-0.1 -1,-0.3 -19,-0.0 5,-0.1 0.536 74.9 122.9 -94.1 -7.6 -40.3 -1.6 22.7 52 52 A D X> - 0 0 36 -3,-1.1 3,-1.7 1,-0.2 4,-0.6 -0.273 69.7-128.1 -52.1 131.5 -39.2 -2.6 19.1 53 53 A P H 3> S+ 0 0 110 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.759 105.5 73.0 -55.8 -20.6 -39.6 -6.4 18.7 54 54 A G H 3> S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.737 85.7 65.3 -64.6 -25.5 -35.9 -6.4 17.5 55 55 A V H <> S+ 0 0 2 -3,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.953 103.2 44.2 -61.6 -55.3 -34.8 -5.8 21.1 56 56 A A H X S+ 0 0 39 -4,-0.6 4,-1.5 -3,-0.2 -2,-0.2 0.886 116.9 48.1 -57.5 -39.8 -36.1 -9.2 22.3 57 57 A E H X S+ 0 0 123 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.940 115.9 40.7 -68.7 -49.5 -34.5 -10.9 19.2 58 58 A L H X S+ 0 0 55 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.901 110.3 60.4 -67.1 -37.1 -31.1 -9.2 19.5 59 59 A G H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.866 105.1 49.3 -57.3 -39.2 -31.2 -9.7 23.3 60 60 A A H X S+ 0 0 33 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.908 111.8 47.3 -67.0 -42.7 -31.4 -13.5 22.8 61 61 A K H X S+ 0 0 127 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.830 110.3 52.5 -69.9 -33.1 -28.5 -13.6 20.3 62 62 A V H X S+ 0 0 46 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.953 114.1 42.2 -64.7 -49.5 -26.2 -11.4 22.5 63 63 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.840 111.0 55.1 -70.4 -31.4 -26.8 -13.7 25.5 64 64 A A H X S+ 0 0 33 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.863 108.9 50.0 -67.7 -34.6 -26.5 -16.9 23.4 65 65 A Q H X S+ 0 0 55 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.849 106.9 52.8 -70.7 -37.5 -23.1 -15.6 22.2 66 66 A I H X S+ 0 0 10 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.919 105.8 56.3 -64.8 -40.0 -21.9 -14.9 25.8 67 67 A G H X S+ 0 0 12 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.866 108.8 46.2 -56.4 -38.9 -22.9 -18.6 26.6 68 68 A V H X S+ 0 0 56 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.916 112.3 50.1 -68.0 -45.1 -20.5 -19.7 23.8 69 69 A A H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.884 109.2 53.0 -59.7 -39.9 -17.8 -17.3 25.1 70 70 A V H >< S+ 0 0 14 -4,-2.8 3,-1.1 1,-0.2 4,-0.2 0.869 104.4 54.5 -64.5 -37.3 -18.3 -18.8 28.7 71 71 A S H 3< S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.646 114.3 43.2 -73.0 -10.0 -17.8 -22.3 27.4 72 72 A H T X< S+ 0 0 37 -3,-0.9 3,-1.8 -4,-0.6 7,-0.6 0.245 77.0 108.9-115.4 9.7 -14.5 -21.2 25.9 73 73 A L T < S+ 0 0 21 -3,-1.1 -71,-0.2 1,-0.3 -2,-0.1 0.805 71.5 64.7 -59.9 -31.8 -13.0 -19.1 28.8 74 74 A G T 3 S+ 0 0 66 -4,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.563 103.0 50.6 -67.8 -15.0 -10.4 -21.7 29.6 75 75 A D S <> S- 0 0 91 -3,-1.8 4,-2.0 1,-0.1 3,-0.3 -0.878 72.0-175.6-124.9 96.3 -8.8 -21.1 26.1 76 76 A E H > S+ 0 0 107 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.904 79.7 53.6 -61.9 -46.1 -8.4 -17.3 25.9 77 77 A G H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 110.0 50.4 -59.3 -34.4 -7.1 -17.2 22.3 78 78 A K H > S+ 0 0 99 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.943 112.5 44.6 -67.2 -51.0 -10.2 -19.2 21.2 79 79 A M H X S+ 0 0 3 -4,-2.0 4,-2.1 -7,-0.6 -2,-0.2 0.910 115.4 48.4 -61.7 -43.6 -12.6 -16.9 22.9 80 80 A V H X S+ 0 0 37 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.929 110.0 52.1 -64.2 -44.6 -10.9 -13.8 21.7 81 81 A A H X S+ 0 0 59 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.893 112.2 44.5 -61.2 -40.7 -10.7 -15.0 18.1 82 82 A E H X S+ 0 0 43 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.877 114.0 48.9 -75.3 -32.5 -14.5 -15.8 17.9 83 83 A M H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.799 108.2 55.4 -74.3 -27.1 -15.4 -12.5 19.6 84 84 A K H X S+ 0 0 99 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 106.4 50.9 -64.4 -43.0 -13.2 -10.6 17.2 85 85 A A H X S+ 0 0 43 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.886 109.4 49.5 -61.7 -40.5 -15.1 -12.2 14.3 86 86 A V H X S+ 0 0 14 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.927 111.6 52.3 -59.7 -42.7 -18.4 -11.1 15.9 87 87 A G H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.819 102.9 54.8 -63.3 -41.4 -16.7 -7.6 16.1 88 88 A V H >< S+ 0 0 67 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.911 106.5 53.6 -61.8 -40.0 -15.7 -7.5 12.4 89 89 A R H >< S+ 0 0 127 -4,-1.6 3,-1.6 1,-0.3 -2,-0.2 0.843 96.2 67.8 -64.0 -31.8 -19.4 -8.1 11.5 90 90 A H G >< S+ 0 0 38 -4,-1.2 3,-0.9 1,-0.3 8,-0.3 0.619 78.7 79.5 -64.0 -13.8 -20.4 -5.2 13.7 91 91 A K G < S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.867 102.1 38.7 -56.7 -33.5 -18.7 -2.8 11.3 92 92 A G G < S+ 0 0 46 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.334 99.0 104.6-101.9 7.1 -21.8 -3.2 9.1 93 93 A Y S X S- 0 0 109 -3,-0.9 3,-2.2 -4,-0.2 5,-0.3 -0.507 79.9 -21.1 -94.4 159.9 -24.5 -3.3 11.9 94 94 A G T 3 S- 0 0 42 1,-0.3 -49,-0.2 -2,-0.2 -50,-0.1 -0.163 132.3 -12.8 50.1-127.8 -27.1 -0.6 13.1 95 95 A N T 3 S- 0 0 59 -51,-2.2 -1,-0.3 1,-0.1 -50,-0.1 0.422 93.5-120.6 -79.7 1.6 -26.1 2.9 12.2 96 96 A K S < S+ 0 0 137 -3,-2.2 -2,-0.1 -52,-0.4 -52,-0.1 0.600 95.4 93.3 63.6 19.5 -22.6 1.5 11.3 97 97 A H + 0 0 121 -53,-0.2 2,-0.3 -4,-0.2 -1,-0.1 -0.342 49.1 160.2-131.5 47.8 -21.1 3.9 13.8 98 98 A I - 0 0 33 -8,-0.3 2,-0.4 -5,-0.3 -5,-0.0 -0.584 26.8-153.4 -70.6 128.3 -21.0 1.5 16.8 99 99 A K > - 0 0 94 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.867 25.0-123.8-114.0 149.5 -18.4 3.0 19.2 100 100 A A G > S+ 0 0 27 -2,-0.4 3,-1.3 1,-0.3 4,-0.4 0.829 107.5 65.0 -51.4 -37.7 -16.2 1.4 21.9 101 101 A E G > S+ 0 0 131 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.727 90.6 66.1 -61.0 -26.1 -17.6 3.8 24.5 102 102 A Y G <> S+ 0 0 65 -3,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.747 88.2 66.2 -71.0 -24.1 -21.1 2.3 24.2 103 103 A F H <> S+ 0 0 21 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.2 0.781 89.9 64.3 -71.7 -28.9 -20.0 -1.1 25.6 104 104 A E H <> S+ 0 0 155 -3,-0.6 4,-1.2 -4,-0.4 3,-0.3 0.975 107.7 38.7 -63.4 -56.8 -19.2 0.2 29.1 105 105 A P H > S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.809 113.6 57.8 -61.4 -28.5 -22.9 1.3 30.0 106 106 A L H X S+ 0 0 27 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.898 102.5 54.2 -64.9 -39.8 -24.2 -1.8 28.2 107 107 A G H X S+ 0 0 7 -4,-2.0 4,-2.0 -3,-0.3 -1,-0.2 0.853 104.7 54.3 -61.3 -36.7 -22.2 -4.0 30.6 108 108 A A H X S+ 0 0 62 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.917 109.7 45.8 -65.5 -42.2 -23.8 -2.2 33.6 109 109 A S H X S+ 0 0 17 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.857 109.2 57.1 -71.8 -30.6 -27.3 -3.1 32.3 110 110 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 108.1 45.5 -62.4 -46.9 -26.2 -6.7 31.6 111 111 A L H X S+ 0 0 34 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.852 112.3 52.5 -65.4 -33.9 -25.1 -7.3 35.2 112 112 A S H X S+ 0 0 65 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.927 109.7 47.7 -64.6 -44.8 -28.3 -5.7 36.5 113 113 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.903 111.7 51.3 -63.6 -41.5 -30.4 -8.0 34.3 114 114 A M H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.928 110.5 47.7 -59.7 -48.1 -28.4 -11.0 35.5 115 115 A E H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.872 106.7 58.4 -62.1 -38.4 -28.9 -10.1 39.1 116 116 A H H < S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.897 112.9 39.9 -59.5 -40.6 -32.6 -9.6 38.4 117 117 A R H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.947 127.2 28.8 -75.9 -48.5 -32.8 -13.2 37.3 118 118 A I H >< S- 0 0 19 -4,-2.9 3,-1.5 1,-0.2 -3,-0.2 0.519 83.4-170.3 -98.8 1.1 -30.6 -15.0 39.9 119 119 A G G >< S+ 0 0 35 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 -0.313 70.4 12.3 61.7-120.2 -31.0 -12.7 42.9 120 120 A G G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.2 -5,-0.1 0.674 116.1 72.0 -66.6 -23.8 -28.6 -13.4 45.8 121 121 A K G < S+ 0 0 113 -3,-1.5 2,-1.8 1,-0.2 -1,-0.3 0.769 83.7 73.5 -64.7 -25.3 -26.4 -15.7 43.7 122 122 A M S < S+ 0 0 4 -3,-1.2 -1,-0.2 -7,-0.2 -3,-0.1 -0.567 77.7 155.5 -87.1 69.7 -25.2 -12.6 41.9 123 123 A N > - 0 0 86 -2,-1.8 4,-2.3 1,-0.0 5,-0.2 -0.075 60.7 -77.2 -82.8-169.4 -23.1 -11.6 45.0 124 124 A A H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 131.0 45.0 -58.2 -47.5 -20.0 -9.4 45.2 125 125 A A H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 112.6 51.7 -67.1 -38.4 -17.6 -12.0 43.9 126 126 A A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.900 110.6 49.1 -64.6 -40.3 -20.0 -13.0 41.0 127 127 A K H X S+ 0 0 77 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.893 112.7 46.9 -67.6 -40.2 -20.3 -9.3 40.0 128 128 A D H X S+ 0 0 104 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.893 113.7 47.9 -66.7 -42.7 -16.5 -8.8 40.0 129 129 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.911 115.7 44.8 -65.6 -40.6 -15.9 -12.0 38.0 130 130 A W H X S+ 0 0 2 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.848 109.5 54.1 -73.2 -33.8 -18.6 -11.1 35.5 131 131 A A H X S+ 0 0 51 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.902 113.8 44.9 -64.0 -36.3 -17.4 -7.4 35.2 132 132 A A H X S+ 0 0 27 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.917 114.4 47.3 -71.0 -44.8 -14.0 -9.0 34.4 133 133 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-0.3 0.938 112.7 48.6 -63.9 -45.9 -15.5 -11.5 32.0 134 134 A Y H X S+ 0 0 30 -4,-3.3 4,-2.6 1,-0.2 5,-0.4 0.889 106.9 58.7 -61.2 -39.7 -17.6 -8.8 30.2 135 135 A G H X S+ 0 0 37 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.899 112.0 39.2 -54.6 -42.7 -14.4 -6.7 30.0 136 136 A D H X S+ 0 0 47 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.871 116.3 48.8 -77.0 -37.2 -12.6 -9.4 28.0 137 137 A I H X S+ 0 0 8 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.943 120.5 37.0 -68.4 -49.6 -15.6 -10.5 25.8 138 138 A S H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.857 113.5 58.5 -72.1 -33.6 -16.5 -6.9 24.8 139 139 A G H X S+ 0 0 32 -4,-1.5 4,-1.7 -5,-0.4 -2,-0.2 0.924 108.7 45.5 -59.0 -44.0 -12.8 -6.0 24.7 140 140 A A H X S+ 0 0 5 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.863 111.5 51.4 -69.4 -36.7 -12.2 -8.7 22.0 141 141 A L H >X S+ 0 0 15 -4,-1.7 4,-2.5 1,-0.2 3,-0.5 0.959 108.7 52.2 -63.7 -47.8 -15.4 -7.6 20.1 142 142 A I H 3X S+ 0 0 28 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.865 106.3 53.4 -54.6 -39.8 -14.2 -4.0 20.1 143 143 A S H 3< S+ 0 0 44 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.858 110.1 47.3 -69.8 -30.0 -10.8 -5.1 18.7 144 144 A G H X< S+ 0 0 1 -4,-1.4 3,-0.9 -3,-0.5 -2,-0.2 0.921 111.7 52.1 -68.0 -44.0 -12.6 -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 0.831 115.3 40.1 -57.5 -40.6 -14.7 -3.7 15.3 146 146 A Q T 3< 0 0 136 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.390 360.0 360.0 -93.9 2.7 -11.7 -1.4 15.1 147 147 A S < 0 0 119 -3,-0.9 -3,-0.1 -4,-0.3 -4,-0.0 -0.129 360.0 360.0 -68.6 360.0 -9.5 -3.9 13.0