==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-04 1W4W . COMPND 2 MOLECULE: HORSERADISH PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR G.H.CARLSSON,P.NICHOLLS,D.SVISTUNENKO,G.I.BERGLUND,J.HAJDU . 306 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 64.4 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 1 1 1 1 0 1 1 3 0 0 0 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 . 3 0 1 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 . 1 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 Q 0 0 213 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 117.2 26.8 15.7 16.8 2 2 A L - 0 0 22 118,-0.1 120,-0.2 284,-0.1 289,-0.0 -0.434 360.0-169.7 -70.3 147.1 23.2 15.8 18.2 3 3 A T B > -A 121 0A 50 118,-2.6 3,-1.6 -2,-0.1 118,-1.3 -1.000 30.9-132.6-143.2 139.7 23.0 16.2 22.0 4 4 A P T 3 S+ 0 0 44 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.738 106.6 55.8 -60.9 -23.7 20.1 15.9 24.5 5 5 A T T > + 0 0 77 1,-0.2 3,-1.9 116,-0.1 4,-0.3 0.312 68.7 117.5 -94.0 9.3 21.2 19.2 26.2 6 6 A F T < S+ 0 0 101 -3,-1.6 4,-0.3 1,-0.3 3,-0.2 0.783 86.1 30.7 -46.3 -38.1 21.0 21.3 23.0 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.7 1,-0.1 -1,-0.3 0.292 83.0 110.6-107.8 10.0 18.2 23.6 24.3 8 8 A D T <4 S+ 0 0 58 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.721 94.9 25.8 -58.7 -20.8 19.0 23.5 28.1 9 9 A N T 4 S+ 0 0 163 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.762 127.2 43.0-108.1 -40.8 20.1 27.2 27.9 10 10 A S T 4 S+ 0 0 58 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.767 138.2 2.5 -79.1 -28.0 18.1 28.6 25.0 11 11 A a >< + 0 0 0 -4,-2.7 3,-1.9 83,-0.1 4,-0.3 -0.339 66.1 168.0-158.6 67.3 14.8 26.9 25.7 12 12 A P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.773 80.0 51.2 -55.2 -29.3 14.9 24.9 29.0 13 13 A N T 3> S+ 0 0 61 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.236 75.0 106.2 -96.9 16.0 11.1 24.4 29.1 14 14 A V H <> S+ 0 0 9 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.927 80.8 48.5 -60.2 -46.5 10.6 23.1 25.5 15 15 A S H > S+ 0 0 38 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.886 112.1 50.4 -61.6 -38.4 9.9 19.5 26.6 16 16 A N H > S+ 0 0 95 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 110.0 49.4 -68.3 -35.9 7.4 20.8 29.2 17 17 A I H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.905 112.5 47.8 -69.1 -41.9 5.6 22.9 26.7 18 18 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.932 112.2 50.1 -63.3 -45.8 5.4 20.0 24.2 19 19 A R H X S+ 0 0 108 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.931 108.6 51.7 -58.5 -48.9 4.2 17.7 27.0 20 20 A D H X S+ 0 0 91 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.904 108.9 51.5 -55.0 -44.4 1.5 20.2 28.1 21 21 A T H X S+ 0 0 12 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.918 112.0 45.2 -60.8 -45.3 0.2 20.4 24.5 22 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 110.7 54.0 -67.5 -40.0 -0.1 16.7 24.1 23 23 A V H X S+ 0 0 47 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.945 111.7 44.7 -58.9 -49.2 -1.7 16.2 27.5 24 24 A N H >X S+ 0 0 89 -4,-2.4 3,-1.2 1,-0.2 4,-0.6 0.951 114.5 48.3 -59.9 -50.8 -4.4 18.8 26.6 25 25 A E H >X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.3 3,-1.2 0.849 100.9 65.5 -59.0 -37.4 -5.0 17.3 23.2 26 26 A L H 3< S+ 0 0 46 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.744 91.1 65.2 -58.7 -25.0 -5.2 13.8 24.5 27 27 A R H << S+ 0 0 183 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.850 115.3 27.7 -68.1 -33.3 -8.4 14.7 26.3 28 28 A S H << S+ 0 0 91 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.680 134.1 33.9 -99.1 -22.9 -10.3 15.3 23.1 29 29 A D >< - 0 0 23 -4,-2.4 3,-1.5 1,-0.1 4,-0.3 -0.796 58.2-178.4-137.3 92.6 -8.2 12.9 20.9 30 30 A P T 3 S+ 0 0 91 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.601 84.7 61.0 -65.0 -10.6 -7.0 9.7 22.7 31 31 A R T 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.1 3,-0.4 0.607 76.1 92.4 -91.6 -13.6 -5.3 8.7 19.4 32 32 A I H <> S+ 0 0 1 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.776 79.0 56.6 -54.2 -35.6 -2.9 11.8 19.2 33 33 A A H > S+ 0 0 5 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.940 111.4 43.9 -63.9 -45.5 0.1 10.2 20.9 34 34 A A H > S+ 0 0 14 -3,-0.4 4,-2.2 -4,-0.3 -2,-0.2 0.941 113.2 52.4 -62.6 -46.8 0.2 7.4 18.5 35 35 A S H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 40,-0.3 0.885 109.6 48.8 -57.3 -42.2 -0.4 9.7 15.6 36 36 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.898 107.8 53.1 -68.0 -40.9 2.5 12.0 16.6 37 37 A L H X S+ 0 0 13 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.927 109.7 50.5 -59.1 -42.1 4.9 9.1 17.1 38 38 A R H X S+ 0 0 86 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.855 104.1 57.4 -64.9 -35.3 4.1 8.0 13.5 39 39 A L H X S+ 0 0 2 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.909 106.5 49.6 -61.2 -41.3 4.7 11.5 12.2 40 40 A H H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.893 110.5 50.2 -63.4 -41.7 8.2 11.4 13.5 41 41 A F H X S+ 0 0 45 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.947 111.5 47.9 -62.2 -47.9 8.8 8.0 11.9 42 42 A H H < S+ 0 0 7 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.749 111.8 51.9 -66.3 -22.4 7.5 9.3 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.4 3,-1.8 -5,-0.2 7,-0.2 0.966 110.9 45.5 -75.5 -55.2 9.7 12.3 9.0 44 44 A b H 3X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.3 5,-0.2 0.745 104.9 60.2 -60.7 -28.6 12.9 10.3 9.6 45 45 A F T 3< S+ 0 0 1 -4,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.422 100.2 61.6 -81.7 3.4 12.4 7.8 6.8 46 46 A V T <4 S- 0 0 0 -3,-1.8 4,-0.3 2,-0.3 6,-0.2 -0.851 134.7 -32.7-134.0 99.0 12.4 10.5 4.2 47 47 A N T 4 S- 0 0 65 -2,-0.4 -2,-0.1 86,-0.1 -3,-0.1 0.656 113.0 -76.4 65.5 18.0 15.7 12.5 3.9 48 48 A G S < S- 0 0 1 -4,-0.7 2,-1.8 -5,-0.2 4,-0.4 -0.165 77.7 -39.9 86.3 175.5 16.1 12.1 7.7 49 49 A b S S+ 0 0 0 238,-1.3 241,-0.3 235,-0.2 -5,-0.1 -0.578 85.9 127.6 -82.1 86.4 14.4 13.8 10.5 50 50 A D S S- 0 0 0 -2,-1.8 76,-2.8 -4,-0.3 48,-0.2 0.076 80.1-108.8-127.1 17.6 14.3 17.3 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.2 47,-0.2 4,-0.5 0.693 74.0 140.0 59.6 21.0 10.6 18.1 9.4 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.2 1,-0.3 12,-0.4 0.858 64.5 61.2 -62.6 -32.3 10.2 17.8 5.6 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -7,-0.1 12,-0.1 0.736 94.4 63.2 -66.3 -22.5 6.9 16.0 6.2 54 54 A L G < S+ 0 0 6 -3,-1.2 -1,-0.2 10,-0.1 -2,-0.2 0.672 80.9 103.4 -78.5 -14.8 5.5 19.1 7.9 55 55 A L < - 0 0 1 -3,-1.2 10,-0.4 -4,-0.5 9,-0.4 -0.425 61.3-145.5 -71.8 139.2 5.8 21.2 4.7 56 56 A D - 0 0 47 246,-2.5 73,-0.1 1,-0.2 -1,-0.1 -0.426 39.3 -63.6 -93.6 174.7 2.7 22.0 2.7 57 57 A N + 0 0 81 -2,-0.1 2,-0.3 6,-0.1 -1,-0.2 -0.142 48.6 178.7 -58.0 151.1 2.5 22.4 -1.1 58 58 A T - 0 0 51 3,-1.8 5,-0.1 -3,-0.1 3,-0.1 -0.890 45.0-104.8-142.4 166.6 4.3 25.1 -3.1 59 59 A T S S+ 0 0 147 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.645 120.1 47.6 -73.3 -10.1 4.3 25.7 -6.8 60 60 A S S S+ 0 0 102 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.730 119.7 21.7-100.6 -28.1 7.9 24.3 -6.9 61 61 A F S S- 0 0 33 -3,-0.1 -3,-1.8 69,-0.0 -1,-0.3 -0.999 72.1-122.9-144.2 146.6 7.6 21.1 -4.8 62 62 A R - 0 0 115 -2,-0.3 69,-0.6 -5,-0.2 2,-0.2 -0.561 33.4-108.6 -85.6 151.0 4.8 18.7 -3.8 63 63 A T > - 0 0 6 -2,-0.2 3,-1.3 1,-0.1 -7,-0.1 -0.476 12.3-132.9 -78.1 147.1 4.0 18.0 -0.1 64 64 A E G > S+ 0 0 0 -12,-0.4 3,-2.2 -9,-0.4 7,-0.2 0.645 98.2 84.5 -71.2 -13.4 4.8 14.5 1.4 65 65 A K G 3 S+ 0 0 31 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.684 85.5 55.2 -63.1 -17.2 1.3 14.7 2.8 66 66 A D G < S+ 0 0 94 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.1 0.229 81.7 119.6 -99.5 12.3 0.0 13.4 -0.5 67 67 A A S X> S- 0 0 0 -3,-2.2 4,-3.2 1,-0.1 3,-1.4 -0.384 79.5-111.4 -72.4 156.9 2.3 10.3 -0.4 68 68 A F T 34 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.845 119.8 48.5 -58.7 -33.0 0.6 6.9 -0.4 69 69 A G T 34 S+ 0 0 22 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.537 122.1 33.3 -85.4 -6.5 1.7 6.3 3.2 70 70 A N T X> S+ 0 0 3 -3,-1.4 4,-2.7 -6,-0.2 3,-1.8 0.753 87.5 100.3-113.5 -44.4 0.5 9.8 4.3 71 71 A A T 3< S- 0 0 42 -4,-3.2 -5,-0.1 1,-0.3 -6,-0.0 -0.197 106.2 -6.4 -51.8 131.5 -2.6 10.8 2.4 72 72 A N T 34 S+ 0 0 128 -7,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.849 136.8 62.1 49.0 39.7 -5.8 10.2 4.3 73 73 A S T <4 S+ 0 0 19 -3,-1.8 -2,-0.2 1,-0.4 -1,-0.2 0.359 76.5 75.8-152.0 -58.1 -3.7 8.5 7.0 74 74 A A < + 0 0 18 -4,-2.7 -1,-0.4 -9,-0.2 2,-0.3 -0.418 62.2 166.8 -66.8 145.6 -1.1 10.7 8.7 75 75 A R + 0 0 76 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.1 -0.959 34.6 72.7-155.0 169.9 -2.6 13.1 11.2 76 76 A G >> + 0 0 10 -2,-0.3 4,-1.6 -37,-0.0 3,-0.5 0.454 51.6 132.7 99.8 3.2 -1.9 15.5 14.0 77 77 A F H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.869 71.3 53.4 -55.3 -41.7 -0.4 18.3 12.0 78 78 A P H 3> S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.860 106.0 55.1 -63.3 -33.1 -2.6 21.1 13.7 79 79 A V H <> S+ 0 0 7 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.871 106.1 50.4 -66.4 -37.8 -1.4 19.8 17.0 80 80 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.882 108.3 53.3 -67.6 -36.6 2.2 20.3 15.9 81 81 A D H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.910 107.9 52.4 -62.8 -41.2 1.4 23.8 14.8 82 82 A R H X S+ 0 0 121 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.932 112.0 42.1 -62.1 -49.7 -0.0 24.5 18.3 83 83 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.869 112.4 55.8 -67.9 -33.6 3.0 23.3 20.2 84 84 A K H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.922 108.6 47.6 -62.6 -42.9 5.3 25.1 17.7 85 85 A A H X S+ 0 0 55 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.895 112.1 49.5 -64.1 -40.9 3.4 28.4 18.4 86 86 A A H X S+ 0 0 39 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.860 113.2 46.6 -66.8 -36.0 3.7 27.9 22.1 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.858 107.6 56.5 -74.4 -35.4 7.4 27.2 21.9 88 88 A E H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.827 107.9 49.5 -64.4 -30.9 7.9 30.2 19.6 89 89 A S H < S+ 0 0 103 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.882 114.3 43.8 -74.4 -39.4 6.4 32.3 22.3 90 90 A A H < S+ 0 0 48 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.892 137.5 8.0 -72.4 -41.8 8.6 30.9 25.0 91 91 A a S >X S- 0 0 10 -4,-3.1 3,-1.1 -5,-0.1 4,-0.6 -0.687 83.8-140.5-145.9 88.8 11.8 31.0 22.9 92 92 A P T 34 S- 0 0 63 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.135 78.5 -7.8 -51.3 135.4 11.5 32.8 19.6 93 93 A R T 34 S+ 0 0 168 1,-0.1 3,-0.1 2,-0.1 206,-0.1 0.809 108.8 103.7 45.0 43.8 13.3 31.3 16.5 94 94 A T T <4 + 0 0 34 -3,-1.1 2,-0.6 1,-0.2 -1,-0.1 0.792 58.4 59.0-116.9 -50.9 15.1 28.7 18.7 95 95 A V S < S- 0 0 1 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.778 74.3-135.7 -94.0 120.6 13.6 25.2 18.4 96 96 A S > - 0 0 0 -2,-0.6 4,-2.5 27,-0.3 5,-0.1 -0.277 17.4-122.6 -67.9 155.0 13.5 23.6 15.0 97 97 A c H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 113.4 59.3 -66.1 -34.1 10.4 21.8 13.8 98 98 A A H > S+ 0 0 0 -48,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 111.0 39.5 -59.8 -46.3 12.6 18.7 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.8 2,-0.2 5,-0.3 0.886 112.2 57.0 -70.2 -39.9 13.5 18.7 17.0 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.924 108.6 46.6 -56.8 -45.6 10.1 19.7 18.1 101 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.850 111.0 52.5 -66.5 -34.6 8.6 16.6 16.3 102 102 A T H X S+ 0 0 4 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.6 43.8 -66.5 -45.9 11.3 14.4 17.8 103 103 A I H X S+ 0 0 5 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.913 111.4 55.5 -64.4 -41.6 10.5 15.6 21.4 104 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.879 107.6 49.4 -58.9 -39.1 6.8 15.3 20.6 105 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.926 112.8 45.7 -66.8 -45.2 7.3 11.7 19.7 106 106 A Q H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.934 114.2 48.0 -63.7 -46.3 9.2 10.9 22.8 107 107 A Q H X S+ 0 0 17 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.853 109.8 54.1 -63.0 -35.3 6.8 12.7 25.0 108 108 A S H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.923 109.0 47.7 -64.2 -45.4 3.9 10.9 23.3 109 109 A V H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 120,-0.2 0.936 114.7 46.4 -60.8 -46.9 5.4 7.5 24.0 110 110 A T H ><5S+ 0 0 36 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.928 110.1 51.9 -62.8 -46.8 6.0 8.5 27.6 111 111 A L H 3<5S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.6 57.0 -60.7 -29.4 2.5 9.9 28.1 112 112 A A T 3<5S- 0 0 17 -4,-1.6 117,-3.0 -5,-0.2 -1,-0.3 0.424 133.5 -90.4 -82.3 2.2 1.1 6.7 26.8 113 113 A G T < 5S+ 0 0 45 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.465 87.4 127.8 103.9 4.5 3.0 4.7 29.5 114 114 A G < - 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0 0 38 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 -0.945 51.2-163.1-144.2 123.3 10.3 -8.4 29.4 270 270 A T H > S+ 0 0 66 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.899 99.7 52.1 -62.8 -42.3 9.1 -4.9 29.4 271 271 A Q H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 108.0 50.9 -62.4 -42.2 12.5 -3.6 30.4 272 272 A T H > S+ 0 0 61 -7,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 115.0 43.6 -62.4 -43.8 14.2 -5.4 27.5 273 273 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.3 -2,-0.2 0.965 113.6 49.2 -65.6 -53.3 11.6 -3.9 25.0 274 274 A F H X S+ 0 0 35 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.885 111.5 50.1 -54.5 -42.4 11.7 -0.4 26.5 275 275 A N H X S+ 0 0 98 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.932 113.9 44.7 -62.2 -46.0 15.5 -0.4 26.4 276 276 A A H X S+ 0 0 20 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.846 110.8 54.6 -66.8 -35.8 15.6 -1.6 22.8 277 277 A F H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.915 109.7 46.2 -65.3 -43.5 12.8 0.9 21.8 278 278 A V H X S+ 0 0 29 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.928 113.8 48.6 -64.7 -44.7 14.8 3.9 23.1 279 279 A E H X S+ 0 0 115 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.917 115.7 43.7 -61.8 -44.0 18.0 2.7 21.4 280 280 A A H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.902 111.7 53.9 -68.7 -41.6 16.2 2.2 18.1 281 281 A M H X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.922 109.9 46.9 -59.5 -44.6 14.3 5.5 18.4 282 282 A D H < S+ 0 0 45 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.865 111.2 52.0 -68.0 -32.6 17.5 7.4 18.9 283 283 A R H >< S+ 0 0 63 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.935 112.1 45.5 -67.3 -43.4 19.1 5.6 16.0 284 284 A M H >< S+ 0 0 3 -4,-2.7 3,-1.6 1,-0.3 -235,-0.2 0.890 110.1 54.6 -65.3 -38.5 16.2 6.5 13.8 285 285 A G T 3< S+ 0 0 2 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.576 101.7 61.1 -71.3 -6.9 16.3 10.1 15.1 286 286 A N T < S+ 0 0 87 -3,-1.0 2,-0.4 -4,-0.4 -1,-0.3 0.283 73.8 128.5-100.6 7.7 19.9 10.2 14.1 287 287 A I S < S- 0 0 16 -3,-1.6 -238,-1.3 1,-0.2 -131,-0.1 -0.553 88.4 -42.8 -73.8 121.5 19.2 9.6 10.4 288 288 A T S S- 0 0 91 -2,-0.4 -1,-0.2 -240,-0.2 2,-0.1 0.730 79.2-173.1 24.8 61.7 20.9 12.2 8.1 289 289 A P - 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0 0 43 -2,-0.3 -177,-0.1 1,-0.1 -2,-0.0 -0.503 53.3 -92.9 -75.1 147.5 10.1 27.6 4.5 305 305 A N 0 0 60 -2,-0.2 -1,-0.1 1,-0.0 -7,-0.1 -0.316 360.0 360.0 -63.0 144.4 11.2 30.9 6.0 306 306 A S 0 0 169 -3,-0.1 -3,-0.0 -2,-0.0 -1,-0.0 -0.857 360.0 360.0-132.4 360.0 10.9 33.9 3.7