==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 29-JUL-08 2VYW . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FASCIOLA HEPATICA; . AUTHOR S.DEWILDE,A.I.IOANITESCU,L.KIGER,K.GILANY,M.C.MARDEN, . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 76.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 59.5 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+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 1 0 0 0 0 2 0 0 0 1 0 0 2 0 0 1 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 A 0 0 52 0, 0.0 2,-0.3 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 -36.9 -2.0 4.3 19.0 2 2 A V - 0 0 77 81,-0.0 2,-0.3 86,-0.0 81,-0.2 -0.995 360.0-150.6-141.6 144.8 0.7 2.3 20.5 3 3 A L - 0 0 2 79,-1.7 2,-0.1 -2,-0.3 130,-0.0 -0.961 24.2-119.8-125.2 149.3 1.9 -1.3 20.7 4 4 A T > - 0 0 69 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.460 29.6-110.5 -79.6 162.2 3.8 -3.0 23.5 5 5 A Q H > S+ 0 0 94 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 120.4 56.2 -56.6 -41.7 7.3 -4.4 22.9 6 6 A T H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 108.7 46.9 -58.2 -41.9 5.8 -7.9 23.4 7 7 A Q H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 112.0 49.7 -64.0 -45.4 3.2 -7.2 20.6 8 8 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.933 111.4 49.2 -59.5 -46.3 5.9 -5.8 18.3 9 9 A D H X S+ 0 0 86 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.884 112.0 48.5 -63.7 -40.3 8.1 -8.9 18.9 10 10 A S H X S+ 0 0 30 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.912 114.0 46.0 -64.9 -46.2 5.2 -11.2 18.2 11 11 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-0.2 0.942 113.2 48.9 -61.9 -49.1 4.2 -9.4 15.0 12 12 A L H X S+ 0 0 37 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.852 106.0 58.1 -60.4 -37.7 7.8 -9.2 13.7 13 13 A A H < S+ 0 0 68 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.901 109.2 44.6 -58.9 -42.5 8.3 -13.0 14.4 14 14 A D H < S+ 0 0 19 -4,-1.5 3,-0.3 -3,-0.2 -1,-0.2 0.808 117.2 45.6 -69.7 -31.7 5.4 -13.8 12.1 15 15 A L H >X S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 4,-0.8 0.538 84.9 100.9 -87.8 -7.1 6.7 -11.3 9.5 16 16 A A G >< S+ 0 0 48 -4,-0.9 3,-0.7 -3,-0.4 4,-0.5 0.815 81.5 46.3 -52.3 -42.9 10.3 -12.5 9.7 17 17 A H G 34 S+ 0 0 121 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.552 112.7 51.0 -82.2 -6.8 10.3 -14.7 6.6 18 18 A H G <4 S+ 0 0 53 -3,-1.9 10,-0.4 1,-0.1 -1,-0.2 0.528 121.5 32.3 -96.3 -13.4 8.6 -12.0 4.5 19 19 A T S << S+ 0 0 36 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.198 84.3 101.2-132.8 11.8 11.1 -9.3 5.6 20 20 A D S S+ 0 0 101 -4,-0.5 2,-0.3 -5,-0.1 -3,-0.1 0.812 86.7 32.4 -76.8 -33.0 14.5 -11.1 6.1 21 21 A T S > S- 0 0 58 -4,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.853 82.2-114.9-120.1 161.2 16.0 -10.0 2.8 22 22 A T H > S+ 0 0 90 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.916 118.1 52.7 -57.1 -42.8 15.7 -6.9 0.6 23 23 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 112.2 44.0 -60.2 -46.7 14.1 -9.2 -2.2 24 24 A H H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 112.6 49.9 -67.5 -41.3 11.5 -10.5 0.2 25 25 A I H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.869 112.0 51.2 -62.5 -35.9 10.7 -7.2 1.8 26 26 A T H X S+ 0 0 9 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.924 109.9 48.3 -66.0 -44.6 10.3 -5.9 -1.8 27 27 A E H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.868 108.0 54.9 -65.1 -37.3 8.0 -8.7 -2.7 28 28 A M H X S+ 0 0 7 -4,-2.4 4,-1.5 -10,-0.4 -1,-0.2 0.933 111.0 45.8 -58.8 -46.9 5.9 -8.1 0.4 29 29 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.902 109.6 53.1 -65.6 -41.7 5.4 -4.5 -0.6 30 30 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.902 105.8 55.9 -58.9 -39.7 4.6 -5.4 -4.2 31 31 A S H X S+ 0 0 50 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.883 106.7 49.0 -62.0 -39.6 1.9 -7.7 -2.9 32 32 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.948 112.0 49.5 -61.6 -49.3 0.3 -4.9 -1.0 33 33 A Y H X S+ 0 0 17 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.879 105.0 56.9 -58.1 -38.7 0.4 -2.7 -4.1 34 34 A K H X S+ 0 0 117 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.927 112.3 43.2 -57.4 -42.3 -1.2 -5.5 -6.2 35 35 A T H X S+ 0 0 68 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.933 114.9 48.9 -67.4 -47.5 -4.1 -5.5 -3.8 36 36 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.905 113.7 45.9 -58.3 -44.7 -4.3 -1.7 -3.6 37 37 A F H < S+ 0 0 4 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.736 107.5 56.0 -78.2 -23.9 -4.2 -1.3 -7.4 38 38 A A H < S+ 0 0 81 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.832 116.7 38.3 -70.8 -34.4 -6.8 -4.0 -8.0 39 39 A A H < S+ 0 0 57 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.836 134.8 23.0 -81.3 -36.5 -9.1 -2.0 -5.7 40 40 A H >< + 0 0 44 -4,-2.6 3,-2.0 -5,-0.2 4,-0.4 -0.632 61.3 165.8-133.4 75.3 -8.0 1.4 -7.0 41 41 A P G > S+ 0 0 50 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.813 77.4 68.7 -61.4 -26.1 -6.5 1.2 -10.5 42 42 A E G 3 S+ 0 0 98 1,-0.2 3,-0.4 2,-0.2 4,-0.1 0.709 89.8 65.0 -62.1 -21.1 -6.8 5.0 -10.7 43 43 A Y G X S+ 0 0 16 -3,-2.0 3,-1.7 1,-0.2 4,-0.4 0.681 80.9 77.3 -76.2 -20.8 -4.0 5.2 -8.0 44 44 A I G X S+ 0 0 3 -3,-1.4 3,-1.5 -4,-0.4 6,-0.2 0.915 91.4 54.8 -52.7 -44.2 -1.4 3.6 -10.3 45 45 A S G 3 S+ 0 0 68 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.517 91.0 75.2 -69.5 -7.9 -1.1 7.0 -12.0 46 46 A Y G < S+ 0 0 52 -3,-1.7 2,-0.5 -4,-0.1 -1,-0.3 0.686 81.8 82.1 -73.4 -20.4 -0.3 8.7 -8.7 47 47 A F S X S- 0 0 45 -3,-1.5 3,-2.0 -4,-0.4 4,-0.3 -0.785 73.0-145.2 -99.9 126.1 3.2 7.3 -8.6 48 48 A S G > S+ 0 0 88 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.809 101.2 48.3 -58.1 -33.5 5.9 9.1 -10.6 49 49 A K G 3 S+ 0 0 104 1,-0.2 -1,-0.3 14,-0.1 14,-0.2 0.430 108.0 55.5 -88.7 0.7 7.7 5.8 -11.5 50 50 A L G X S+ 0 0 1 -3,-2.0 3,-1.9 -6,-0.2 -1,-0.2 0.244 71.5 141.7-114.2 12.3 4.4 4.1 -12.7 51 51 A Q T < S+ 0 0 122 -3,-0.6 3,-0.1 -4,-0.3 -6,-0.1 -0.315 72.5 18.1 -55.7 129.0 3.4 6.7 -15.2 52 52 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -7,-0.0 2,-0.1 0.088 97.5 119.4 97.5 -21.6 1.8 5.0 -18.3 53 53 A L < - 0 0 47 -3,-1.9 -1,-0.3 -9,-0.1 2,-0.2 -0.369 43.2-163.1 -76.4 156.2 1.2 1.6 -16.6 54 54 A T >> - 0 0 70 -3,-0.1 4,-2.2 -2,-0.1 3,-1.2 -0.748 41.0 -89.2-128.3 176.3 -2.3 0.1 -16.2 55 55 A K T 34 S+ 0 0 142 1,-0.2 4,-0.3 -2,-0.2 -2,-0.0 0.749 122.2 61.4 -59.8 -24.6 -3.8 -2.6 -14.0 56 56 A D T 34 S+ 0 0 133 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.733 121.2 15.9 -78.4 -22.0 -2.9 -5.2 -16.7 57 57 A N T X4 S+ 0 0 66 -3,-1.2 3,-1.1 2,-0.1 4,-0.3 0.499 95.9 92.6-130.4 -5.7 0.9 -4.6 -16.5 58 58 A V G >< S+ 0 0 7 -4,-2.2 3,-1.7 1,-0.2 6,-0.4 0.873 82.9 61.1 -56.9 -37.9 1.8 -2.8 -13.3 59 59 A G G 3 S+ 0 0 31 -4,-0.3 -1,-0.2 1,-0.3 -25,-0.1 0.763 106.8 46.0 -63.4 -25.1 2.4 -6.0 -11.4 60 60 A Q G < S+ 0 0 166 -3,-1.1 -1,-0.3 4,-0.0 -2,-0.2 0.343 93.0 114.6 -94.3 -1.9 5.2 -7.0 -13.8 61 61 A S < - 0 0 17 -3,-1.7 4,-0.5 -4,-0.3 -11,-0.0 -0.262 67.6-137.5 -77.1 156.8 6.8 -3.5 -13.7 62 62 A E S >> S+ 0 0 160 2,-0.1 4,-1.4 1,-0.1 3,-0.7 0.838 105.2 61.4 -70.8 -38.4 10.2 -2.5 -12.4 63 63 A G H 3> S+ 0 0 14 1,-0.2 4,-1.8 -14,-0.2 5,-0.2 0.853 95.6 57.6 -57.5 -39.7 8.6 0.6 -10.9 64 64 A I H 3> S+ 0 0 1 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.846 104.1 54.4 -64.6 -28.4 6.3 -1.4 -8.6 65 65 A R H <> S+ 0 0 86 -3,-0.7 4,-2.0 -4,-0.5 -1,-0.2 0.878 102.4 57.0 -72.4 -37.4 9.4 -3.0 -7.1 66 66 A Y H X S+ 0 0 97 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.965 115.8 35.6 -52.3 -55.0 10.9 0.4 -6.3 67 67 A Y H X S+ 0 0 25 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.835 110.4 62.9 -72.2 -32.1 7.8 1.3 -4.3 68 68 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.904 108.2 43.3 -59.4 -40.8 7.3 -2.2 -2.9 69 69 A R H X S+ 0 0 81 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.917 114.9 47.5 -72.3 -43.9 10.7 -2.0 -1.2 70 70 A T H X S+ 0 0 45 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.936 116.1 45.6 -61.4 -46.3 10.2 1.6 0.1 71 71 A L H X S+ 0 0 26 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.932 114.2 47.4 -59.9 -52.1 6.7 0.7 1.4 72 72 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.937 113.4 47.9 -57.8 -49.0 7.8 -2.6 3.0 73 73 A E H X S+ 0 0 65 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.918 113.1 47.8 -58.6 -46.4 10.8 -1.0 4.7 74 74 A E H X S+ 0 0 25 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.887 108.3 54.5 -63.8 -41.0 8.7 1.9 6.0 75 75 A L H X S+ 0 0 14 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.916 110.3 46.4 -59.0 -43.2 6.0 -0.4 7.4 76 76 A I H X S+ 0 0 9 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.890 111.0 53.3 -66.2 -38.2 8.6 -2.3 9.3 77 77 A R H X S+ 0 0 115 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.928 109.9 47.8 -57.7 -46.9 10.1 1.0 10.6 78 78 A L H < S+ 0 0 9 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.933 113.4 47.6 -61.9 -46.4 6.6 2.1 11.8 79 79 A L H >< S+ 0 0 5 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.926 111.4 49.1 -60.0 -48.1 6.1 -1.3 13.5 80 80 A K H 3< S+ 0 0 131 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.827 112.9 49.5 -62.3 -29.9 9.5 -1.3 15.2 81 81 A A T >< S+ 0 0 6 -4,-1.8 3,-1.9 -5,-0.2 7,-0.5 0.475 81.7 101.6 -84.1 -5.1 8.8 2.3 16.4 82 82 A A T < S+ 0 0 0 -3,-1.4 -79,-1.7 -4,-0.4 -1,-0.2 0.616 82.7 44.5 -63.4 -19.1 5.4 1.5 17.8 83 83 A S T 3 S+ 0 0 45 -3,-0.5 -1,-0.3 -4,-0.2 -78,-0.1 0.391 101.3 74.6-103.6 2.1 6.5 1.3 21.5 84 84 A N <> - 0 0 69 -3,-1.9 4,-2.8 1,-0.1 3,-0.4 -0.884 65.4-160.8-118.9 99.7 8.6 4.5 21.4 85 85 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.818 89.3 44.8 -48.1 -43.1 6.5 7.6 21.3 86 86 A S H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.871 115.5 45.1 -74.5 -38.2 9.2 10.0 20.0 87 87 A V H > S+ 0 0 48 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.892 112.7 52.0 -71.2 -40.6 10.5 7.6 17.2 88 88 A L H X S+ 0 0 7 -4,-2.8 4,-2.3 -7,-0.5 -2,-0.2 0.936 108.7 50.8 -60.0 -44.8 6.9 6.8 16.1 89 89 A E H X S+ 0 0 86 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.883 106.3 55.8 -60.6 -39.1 6.2 10.5 15.9 90 90 A E H X S+ 0 0 114 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.895 110.2 45.9 -54.6 -42.2 9.3 10.9 13.7 91 91 A R H X S+ 0 0 46 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.851 110.1 52.2 -71.8 -36.7 7.9 8.2 11.4 92 92 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 110.6 49.2 -65.1 -41.9 4.5 9.9 11.3 93 93 A V H X S+ 0 0 48 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.921 111.7 48.1 -60.7 -45.3 6.2 13.2 10.4 94 94 A Q H X S+ 0 0 65 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.898 108.5 56.4 -61.9 -39.0 8.2 11.3 7.7 95 95 A G H X S+ 0 0 3 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.929 107.6 46.8 -55.6 -49.6 4.9 9.8 6.5 96 96 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.895 112.7 49.4 -62.0 -42.4 3.3 13.3 6.1 97 97 A K H < S+ 0 0 127 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 109.4 53.2 -61.5 -43.4 6.4 14.5 4.2 98 98 A D H < S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.748 122.1 28.6 -60.4 -27.6 6.2 11.4 2.0 99 99 A H H >< S+ 0 0 62 -4,-1.2 3,-0.7 -3,-0.4 -2,-0.2 0.540 91.6 104.6-118.2 -15.2 2.5 12.0 1.1 100 100 A K T 3< S+ 0 0 114 -4,-2.4 4,-0.1 1,-0.2 5,-0.1 -0.421 88.6 18.5 -65.4 145.8 2.1 15.8 1.3 101 101 A A T 3 S+ 0 0 92 1,-0.2 -1,-0.2 -2,-0.1 4,-0.1 0.904 102.3 121.9 57.2 45.4 1.9 17.6 -2.1 102 102 A R S < S- 0 0 158 -3,-0.7 -1,-0.2 2,-0.4 -55,-0.1 -0.856 81.3-103.1-130.7 163.7 1.1 14.3 -3.9 103 103 A P S S+ 0 0 70 0, 0.0 2,-0.2 0, 0.0 -56,-0.1 0.767 97.6 91.5 -63.7 -19.0 -1.8 13.2 -6.0 104 104 A V - 0 0 26 -58,-0.2 -2,-0.4 -5,-0.1 2,-0.2 -0.543 69.5-146.1 -76.7 135.5 -3.1 11.2 -3.0 105 105 A T > - 0 0 67 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.569 26.0-106.4 -96.3 162.6 -5.6 13.0 -0.8 106 106 A K H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 120.9 47.7 -47.2 -47.3 -6.2 12.8 3.0 107 107 A D H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.858 111.2 49.1 -69.5 -38.8 -9.5 10.8 2.4 108 108 A Q H > S+ 0 0 51 2,-0.2 4,-0.9 3,-0.2 -1,-0.2 0.866 111.0 52.8 -66.7 -36.3 -7.9 8.4 -0.1 109 109 A F H >< S+ 0 0 21 -4,-2.3 3,-1.0 2,-0.2 4,-0.4 0.978 115.7 36.2 -64.5 -56.7 -5.0 7.8 2.3 110 110 A T H >< S+ 0 0 47 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.836 113.0 61.9 -67.1 -29.9 -7.2 6.9 5.4 111 111 A G H 3< S+ 0 0 45 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.719 98.9 55.8 -68.7 -19.7 -9.7 5.2 3.1 112 112 A A T XX S+ 0 0 7 -3,-1.0 4,-1.4 -4,-0.9 3,-1.2 0.558 79.3 96.1 -89.3 -8.6 -7.0 2.7 2.0 113 113 A A H <> S+ 0 0 2 -3,-1.2 4,-2.9 -4,-0.4 5,-0.2 0.881 77.6 57.1 -50.4 -47.4 -6.2 1.6 5.6 114 114 A P H 3> S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.837 103.3 55.7 -56.3 -31.0 -8.5 -1.4 5.4 115 115 A I H <> S+ 0 0 28 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.932 112.6 40.8 -65.9 -44.2 -6.5 -2.7 2.4 116 116 A F H X S+ 0 0 20 -4,-1.4 4,-2.3 -3,-0.2 5,-0.2 0.911 116.4 50.0 -68.8 -43.8 -3.2 -2.6 4.4 117 117 A I H X S+ 0 0 8 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.935 110.5 47.7 -61.3 -49.2 -4.8 -3.9 7.6 118 118 A K H X S+ 0 0 142 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.893 110.2 54.3 -65.2 -35.4 -6.5 -6.9 5.9 119 119 A F H X S+ 0 0 36 -4,-1.7 4,-0.9 -5,-0.2 3,-0.4 0.974 113.4 40.9 -57.6 -55.7 -3.2 -7.7 4.1 120 120 A F H >X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.2 3,-0.7 0.874 108.9 59.3 -64.7 -35.3 -1.3 -7.8 7.4 121 121 A Q H 3< S+ 0 0 35 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.886 102.5 56.6 -59.8 -34.6 -4.1 -9.6 9.3 122 122 A G H 3< S+ 0 0 62 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.811 107.4 46.5 -62.6 -33.8 -3.6 -12.4 6.6 123 123 A L H << S+ 0 0 36 -4,-0.9 2,-0.3 -3,-0.7 -1,-0.2 0.665 97.9 85.5 -83.9 -19.7 0.1 -12.8 7.5 124 124 A L < - 0 0 3 -4,-1.3 -113,-0.1 -3,-0.3 6,-0.0 -0.679 58.3-160.7 -94.3 142.8 -0.4 -12.9 11.3 125 125 A K + 0 0 162 -2,-0.3 2,-0.3 -114,-0.1 -1,-0.1 0.894 68.2 69.3 -87.5 -46.1 -1.2 -16.1 13.2 126 126 A K S >> S- 0 0 114 1,-0.1 4,-2.0 -116,-0.1 3,-0.6 -0.615 71.1-140.5 -83.3 132.0 -2.6 -14.9 16.5 127 127 A Q H 3> S+ 0 0 114 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.841 105.0 59.2 -53.6 -36.6 -6.0 -13.2 16.6 128 128 A E H 3> S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 107.1 46.8 -63.0 -36.6 -4.6 -10.8 19.2 129 129 A D H <> S+ 0 0 3 -3,-0.6 4,-3.0 2,-0.2 5,-0.2 0.853 108.6 54.0 -72.2 -38.2 -2.0 -9.7 16.7 130 130 A K H X S+ 0 0 49 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.913 112.8 45.0 -55.7 -45.7 -4.5 -9.3 13.9 131 131 A D H X S+ 0 0 84 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 113.2 51.3 -65.3 -42.9 -6.5 -7.0 16.3 132 132 A A H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.932 107.5 49.6 -62.4 -49.5 -3.3 -5.2 17.3 133 133 A I H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.840 109.6 54.3 -62.0 -31.8 -2.1 -4.5 13.7 134 134 A E H X S+ 0 0 81 -4,-1.3 4,-2.3 -5,-0.2 5,-0.2 0.957 110.8 43.9 -64.5 -53.0 -5.6 -3.1 12.9 135 135 A K H X S+ 0 0 111 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.915 117.3 47.9 -54.4 -47.4 -5.5 -0.6 15.8 136 136 A F H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.946 113.1 43.3 -66.3 -53.0 -1.9 0.4 15.0 137 137 A L H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.876 113.3 52.3 -64.3 -38.4 -2.2 0.9 11.3 138 138 A L H X S+ 0 0 59 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.952 113.0 46.0 -58.8 -46.0 -5.6 2.8 11.7 139 139 A H H X S+ 0 0 59 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.922 115.2 46.0 -60.1 -50.4 -3.9 5.1 14.3 140 140 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.910 113.9 46.7 -61.6 -46.6 -0.8 5.6 12.1 141 141 A M H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.862 113.0 49.3 -73.1 -33.8 -2.6 6.3 8.9 142 142 A Q H X S+ 0 0 124 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.915 112.1 49.9 -65.2 -40.7 -5.0 8.7 10.6 143 143 A A H X S+ 0 0 28 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.874 112.1 46.7 -65.0 -42.9 -2.0 10.5 12.2 144 144 A I H >X S+ 0 0 7 -4,-2.4 4,-0.8 2,-0.2 3,-0.7 0.939 112.6 49.9 -62.4 -49.4 -0.2 10.8 8.9 145 145 A A H >< S+ 0 0 6 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.866 105.1 58.4 -58.4 -38.9 -3.4 12.1 7.1 146 146 A A H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.7 49.0 -63.0 -32.8 -4.0 14.7 9.8 147 147 A K H << 0 0 94 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.636 360.0 360.0 -80.2 -17.1 -0.5 16.3 9.2 148 148 A M << 0 0 62 -3,-0.8 -51,-0.1 -4,-0.8 -48,-0.1 -0.253 360.0 360.0 -67.8 360.0 -1.1 16.4 5.4