==== 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 OXIDOREDUCTASE 04-MAY-01 1HCH . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR G.I.BERGLUND,G.H.CARLSSON,J.HAJDU,A.T.SMITH,H.SZOKE, . 306 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 64.7 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 . 12 3.9 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 0 220 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 130.5 26.9 15.7 17.0 2 2 A L - 0 0 28 118,-0.1 120,-0.2 284,-0.1 289,-0.0 -0.439 360.0-170.4 -70.2 144.8 23.4 15.8 18.3 3 3 A T B > -A 121 0A 51 118,-2.5 118,-1.6 -2,-0.1 3,-1.5 -0.998 31.4-132.3-140.1 142.0 23.2 16.2 22.1 4 4 A P T 3 S+ 0 0 46 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.733 106.6 56.0 -63.9 -21.0 20.3 16.0 24.6 5 5 A T T > + 0 0 72 1,-0.2 3,-2.4 116,-0.1 4,-0.3 0.351 68.1 118.0 -94.4 6.5 21.2 19.3 26.2 6 6 A F T < S+ 0 0 102 -3,-1.5 4,-0.3 1,-0.3 3,-0.3 0.761 85.7 31.7 -43.5 -38.1 21.1 21.4 23.0 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.250 83.0 110.6-108.3 13.2 18.3 23.6 24.4 8 8 A D T <4 S+ 0 0 59 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.735 94.7 25.1 -60.5 -22.3 19.2 23.6 28.1 9 9 A N T 4 S+ 0 0 165 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.772 127.5 43.2-106.8 -41.8 20.2 27.3 27.9 10 10 A S T 4 S+ 0 0 59 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.763 136.4 2.5 -78.5 -28.5 18.2 28.6 24.9 11 11 A a >< + 0 0 1 -4,-2.4 3,-1.7 83,-0.1 4,-0.3 -0.356 63.5 165.5-159.0 69.8 14.9 27.0 25.7 12 12 A P T 3 S+ 0 0 76 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.749 79.6 55.4 -61.3 -24.1 14.8 25.0 28.9 13 13 A N T 3> S+ 0 0 93 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.353 76.0 102.3 -92.2 7.7 11.0 24.8 28.9 14 14 A V H <> S+ 0 0 8 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.927 81.7 45.7 -57.2 -50.6 10.7 23.3 25.4 15 15 A S H > S+ 0 0 38 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.873 113.5 51.9 -61.6 -36.2 9.9 19.7 26.5 16 16 A N H > S+ 0 0 84 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.892 109.6 48.2 -66.9 -40.4 7.5 21.0 29.1 17 17 A I H X S+ 0 0 30 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.907 112.7 49.0 -66.2 -41.6 5.6 23.1 26.5 18 18 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.941 112.0 48.9 -62.2 -48.2 5.5 20.1 24.1 19 19 A R H X S+ 0 0 108 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.927 109.4 51.5 -58.6 -48.1 4.2 17.8 26.9 20 20 A D H X S+ 0 0 84 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.877 108.2 53.0 -58.2 -38.9 1.5 20.3 27.9 21 21 A T H X S+ 0 0 12 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.924 112.2 44.1 -62.9 -44.5 0.3 20.6 24.3 22 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.884 109.7 55.5 -69.6 -38.5 -0.1 16.8 24.0 23 23 A V H X S+ 0 0 48 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.933 111.1 45.0 -59.6 -45.8 -1.7 16.4 27.4 24 24 A N H >X S+ 0 0 89 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.877 113.3 49.1 -64.5 -45.8 -4.5 18.9 26.5 25 25 A E H >X S+ 0 0 31 -4,-1.9 4,-2.5 1,-0.2 3,-1.1 0.858 100.9 65.0 -62.7 -36.7 -5.0 17.4 23.0 26 26 A L H 3< S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.750 90.6 66.9 -58.6 -25.0 -5.3 13.8 24.4 27 27 A R H << S+ 0 0 172 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.880 116.5 23.7 -64.8 -38.0 -8.4 14.8 26.3 28 28 A S H << S+ 0 0 92 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.654 135.2 35.5-100.5 -21.2 -10.4 15.3 23.0 29 29 A D >< - 0 0 22 -4,-2.5 3,-1.6 -5,-0.1 4,-0.2 -0.772 58.4-179.7-137.5 90.7 -8.2 13.0 20.8 30 30 A P T 3 S+ 0 0 90 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.568 82.9 63.0 -65.0 -9.2 -6.9 9.9 22.6 31 31 A R T 3> S+ 0 0 58 1,-0.2 4,-2.3 2,-0.1 3,-0.4 0.600 75.5 91.1 -91.6 -13.5 -5.2 8.9 19.4 32 32 A I H <> S+ 0 0 1 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.781 79.6 56.6 -56.4 -35.0 -2.9 11.9 19.1 33 33 A A H > S+ 0 0 4 -4,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.946 111.6 44.0 -63.7 -45.8 0.1 10.4 20.9 34 34 A A H > S+ 0 0 15 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.929 113.5 51.8 -62.5 -45.4 0.2 7.5 18.5 35 35 A S H X S+ 0 0 11 -4,-2.3 4,-1.6 1,-0.2 40,-0.3 0.895 110.0 48.4 -59.4 -42.7 -0.3 9.8 15.6 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.880 108.0 53.2 -68.2 -39.2 2.6 12.1 16.6 37 37 A L H X S+ 0 0 13 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.932 109.9 50.5 -61.1 -41.8 5.0 9.2 17.1 38 38 A R H X S+ 0 0 83 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.857 103.2 58.3 -65.1 -35.4 4.2 8.1 13.6 39 39 A L H X S+ 0 0 1 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.911 106.0 49.8 -60.3 -41.3 4.8 11.6 12.2 40 40 A H H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.897 110.2 51.0 -63.3 -41.3 8.4 11.5 13.5 41 41 A F H X S+ 0 0 43 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.953 111.8 45.9 -61.5 -50.5 8.9 8.0 12.0 42 42 A H H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.711 112.6 52.9 -67.5 -18.0 7.6 9.2 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.2 3,-1.6 -5,-0.2 7,-0.3 0.952 110.2 45.7 -77.9 -51.8 9.8 12.3 8.9 44 44 A b H 3X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.3 -2,-0.2 0.760 104.9 60.5 -61.8 -31.0 13.0 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 0.428 99.9 62.5 -79.7 2.6 12.5 7.8 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.6 4,-0.3 2,-0.3 6,-0.2 -0.879 134.6 -33.5-133.5 101.5 12.6 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 0.635 113.4 -75.6 62.5 17.4 15.8 12.4 3.9 48 48 A G S < S- 0 0 1 -4,-0.7 2,-1.8 -5,-0.2 4,-0.4 -0.199 78.1 -39.7 88.7 175.6 16.2 12.0 7.7 49 49 A b S S+ 0 0 0 238,-1.2 241,-0.3 235,-0.2 -5,-0.2 -0.580 85.9 128.6 -81.1 85.8 14.5 13.8 10.6 50 50 A D S S- 0 0 0 -2,-1.8 76,-2.7 -4,-0.3 48,-0.2 0.102 79.9-108.6-126.4 16.7 14.4 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.0 47,-0.2 4,-0.5 0.699 75.4 138.5 60.6 20.5 10.8 18.1 9.4 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.2 1,-0.2 12,-0.4 0.853 64.0 61.3 -63.5 -32.6 10.4 17.7 5.6 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.2 -7,-0.1 12,-0.1 0.736 95.2 62.3 -66.1 -23.2 7.1 15.9 6.1 54 54 A L G < S+ 0 0 6 -3,-1.0 -1,-0.2 10,-0.1 -2,-0.2 0.668 80.5 104.0 -78.9 -15.5 5.6 19.1 7.8 55 55 A L < - 0 0 1 -3,-1.2 10,-0.4 -4,-0.5 9,-0.4 -0.430 62.5-142.3 -71.3 138.5 6.0 21.2 4.6 56 56 A D - 0 0 49 246,-2.5 73,-0.1 1,-0.2 -1,-0.1 -0.446 38.3 -66.0 -91.6 171.1 2.9 22.0 2.6 57 57 A N + 0 0 79 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.131 48.6 178.7 -56.7 148.0 2.6 22.2 -1.2 58 58 A T - 0 0 52 3,-1.9 3,-0.1 -3,-0.1 5,-0.1 -0.898 44.1-105.6-140.9 165.9 4.4 24.9 -3.3 59 59 A T S S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.661 119.4 47.4 -72.2 -11.8 4.5 25.3 -7.0 60 60 A S S S+ 0 0 102 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.710 120.7 21.1-100.1 -25.2 8.0 24.0 -7.2 61 61 A F S S- 0 0 37 -3,-0.1 -3,-1.9 69,-0.0 -1,-0.3 -0.999 73.3-122.2-146.1 145.0 7.7 20.9 -5.0 62 62 A R - 0 0 110 -2,-0.3 69,-0.6 -5,-0.2 2,-0.2 -0.534 32.9-108.3 -84.1 151.0 5.0 18.6 -3.9 63 63 A T > - 0 0 5 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.488 13.3-133.4 -77.0 146.3 4.2 17.9 -0.2 64 64 A E G > S+ 0 0 0 -9,-0.4 3,-2.1 -12,-0.4 6,-0.2 0.639 97.8 84.6 -71.3 -13.6 5.0 14.5 1.3 65 65 A K G 3 S+ 0 0 30 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.683 85.9 55.2 -63.2 -15.9 1.5 14.6 2.8 66 66 A D G < S+ 0 0 95 -3,-1.4 -1,-0.3 4,-0.1 -2,-0.1 0.225 81.3 120.4-101.1 13.7 0.3 13.2 -0.6 67 67 A A S X> S- 0 0 0 -3,-2.1 4,-3.2 1,-0.1 3,-1.2 -0.378 79.2-110.9 -73.0 156.3 2.6 10.2 -0.4 68 68 A F T 34 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.858 120.1 47.8 -57.5 -34.9 0.9 6.8 -0.5 69 69 A G T 34 S+ 0 0 21 1,-0.1 -1,-0.3 65,-0.1 -4,-0.1 0.603 121.6 34.6 -83.0 -11.1 2.0 6.2 3.1 70 70 A N T X> S+ 0 0 3 -3,-1.2 4,-2.6 -6,-0.2 3,-1.6 0.780 87.0 101.5-109.2 -40.8 0.8 9.6 4.3 71 71 A A T 3< S- 0 0 41 -4,-3.2 -5,-0.1 1,-0.3 -6,-0.0 -0.211 103.8 -4.9 -53.6 132.4 -2.4 10.6 2.3 72 72 A N T 34 S+ 0 0 125 -7,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.851 136.4 61.3 50.4 38.8 -5.6 10.0 4.3 73 73 A S T <4 S+ 0 0 18 -3,-1.6 -2,-0.2 1,-0.4 -1,-0.2 0.344 75.6 77.9-152.0 -61.1 -3.5 8.5 7.0 74 74 A A < + 0 0 20 -4,-2.6 -1,-0.4 -9,-0.2 2,-0.3 -0.369 61.4 164.2 -63.2 143.1 -0.9 10.8 8.6 75 75 A R + 0 0 75 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.959 33.4 73.1-155.3 170.0 -2.4 13.2 11.1 76 76 A G >> + 0 0 9 -2,-0.3 4,-1.6 -37,-0.0 3,-0.8 0.431 52.0 134.0 100.2 2.1 -1.8 15.6 14.0 77 77 A F H 3> S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.870 70.8 52.7 -53.0 -43.6 -0.3 18.4 11.9 78 78 A P H 3> S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.841 106.1 55.3 -63.9 -30.2 -2.3 21.2 13.5 79 79 A V H <> S+ 0 0 6 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.877 106.2 50.3 -68.5 -37.3 -1.2 20.0 17.0 80 80 A I H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.900 108.9 52.7 -66.4 -38.8 2.4 20.3 15.9 81 81 A D H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.906 107.5 52.9 -61.0 -41.6 1.6 23.9 14.7 82 82 A R H X S+ 0 0 116 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.929 111.9 42.2 -61.8 -48.9 0.1 24.6 18.1 83 83 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.872 112.6 55.5 -68.4 -33.8 3.2 23.5 20.1 84 84 A K H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.933 108.8 47.1 -62.6 -44.9 5.5 25.2 17.6 85 85 A A H X S+ 0 0 61 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.903 112.9 49.2 -62.6 -42.0 3.7 28.5 18.1 86 86 A A H X S+ 0 0 39 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.897 113.2 46.5 -64.5 -41.4 3.8 28.1 21.9 87 87 A V H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.868 109.2 54.5 -69.4 -36.3 7.5 27.3 21.7 88 88 A E H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.831 108.3 50.8 -65.4 -31.3 8.2 30.2 19.4 89 89 A S H < S+ 0 0 102 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.910 115.7 40.4 -71.3 -43.3 6.5 32.5 22.0 90 90 A A H < S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.875 137.5 13.0 -72.6 -39.4 8.7 31.1 24.8 91 91 A a S >X S- 0 0 15 -4,-3.3 3,-1.2 -5,-0.1 4,-0.6 -0.693 83.4-143.0-143.4 86.1 11.8 31.0 22.7 92 92 A P T 34 S- 0 0 63 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.162 77.5 -9.3 -52.4 133.8 11.7 32.9 19.4 93 93 A R T 34 S+ 0 0 173 1,-0.1 3,-0.1 2,-0.1 204,-0.1 0.791 109.1 103.3 46.9 41.6 13.6 31.4 16.4 94 94 A T T <4 + 0 0 34 -3,-1.2 2,-0.6 1,-0.2 -1,-0.1 0.803 58.7 58.4-115.2 -53.3 15.3 28.8 18.6 95 95 A V S < S- 0 0 1 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.767 74.1-135.6 -93.0 121.0 13.8 25.3 18.3 96 96 A S > - 0 0 0 -2,-0.6 4,-2.5 27,-0.3 5,-0.1 -0.269 17.6-122.3 -67.3 155.5 13.7 23.6 14.9 97 97 A c H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 113.7 58.5 -66.3 -34.1 10.6 21.9 13.7 98 98 A A H > S+ 0 0 0 -48,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.918 111.2 39.7 -61.1 -45.4 12.7 18.7 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.7 2,-0.2 5,-0.2 0.888 112.6 56.9 -70.8 -40.5 13.7 18.8 16.9 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 108.5 46.4 -56.3 -46.5 10.2 19.8 18.0 101 101 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.835 110.5 53.6 -66.9 -32.7 8.7 16.7 16.3 102 102 A T H X S+ 0 0 4 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.932 111.7 44.5 -66.8 -45.9 11.4 14.5 17.8 103 103 A I H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.895 111.1 54.6 -64.6 -39.8 10.6 15.7 21.3 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.885 107.6 50.5 -61.3 -39.0 6.9 15.4 20.6 105 105 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.937 112.9 44.8 -64.9 -47.6 7.4 11.8 19.6 106 106 A Q H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 114.7 48.0 -63.2 -45.6 9.3 11.0 22.8 107 107 A Q H X S+ 0 0 23 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.870 109.5 54.5 -63.5 -36.0 6.8 12.8 25.0 108 108 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.930 109.0 47.8 -62.8 -44.8 4.0 11.0 23.2 109 109 A V H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.2 0.933 114.1 46.4 -61.5 -46.5 5.5 7.7 24.0 110 110 A T H ><5S+ 0 0 38 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.918 109.7 53.1 -63.6 -44.0 6.1 8.6 27.7 111 111 A L H 3<5S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.1 56.1 -62.1 -28.2 2.5 10.0 28.1 112 112 A A T 3<5S- 0 0 16 -4,-1.5 117,-2.8 -3,-0.2 -1,-0.3 0.388 132.9 -90.8 -85.0 4.1 1.1 6.8 26.8 113 113 A G T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 115,-0.2 -2,-0.2 0.448 87.3 127.2 102.5 2.4 3.0 4.9 29.5 114 114 A G < - 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0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.919 64.3-170.5-116.9 107.2 -3.0 -3.8 19.8 223 223 A L S S+ 0 0 67 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.687 86.7 53.1 -69.6 -16.5 -6.1 -5.8 20.9 224 224 A R S S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -53,-0.0 0.961 130.6 3.1 -82.0 -59.0 -4.7 -6.1 24.4 225 225 A T > - 0 0 27 -54,-0.2 3,-0.8 3,-0.1 -1,-0.2 -0.726 69.1-174.1-132.4 83.4 -4.0 -2.4 25.3 226 226 A P T 3 S+ 0 0 39 0, 0.0 -53,-1.1 0, 0.0 -5,-0.2 0.701 84.4 22.3 -46.4 -34.0 -5.2 -0.2 22.4 227 227 A T T 3 S+ 0 0 84 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.392 100.9 95.5-121.9 3.0 -3.9 3.1 23.8 228 228 A I < - 0 0 82 -3,-0.8 2,-1.1 -57,-0.3 -115,-0.2 -0.822 69.6-132.2-100.6 131.9 -1.1 2.1 26.2 229 229 A F + 0 0 1 -117,-2.8 2,-0.2 -2,-0.5 -57,-0.1 -0.713 59.2 119.5 -83.8 102.8 2.5 2.0 25.2 230 230 A D S > S- 0 0 22 -2,-1.1 3,-0.6 -62,-0.2 -116,-0.1 -0.844 77.3 -88.5-149.1-176.8 3.7 -1.4 26.5 231 231 A N T >> S+ 0 0 10 -2,-0.2 3,-1.3 1,-0.2 4,-0.9 0.325 90.1 105.1 -86.5 9.6 5.2 -4.7 25.3 232 232 A K H 3> + 0 0 81 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.793 65.7 74.0 -60.0 -28.4 1.8 -6.3 24.7 233 233 A Y H <> S+ 0 0 2 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.888 98.6 46.0 -50.1 -42.4 2.3 -5.9 20.9 234 234 A Y H <> S+ 0 0 0 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.820 105.7 56.8 -74.4 -32.8 4.9 -8.7 21.1 235 235 A V H X S+ 0 0 28 -4,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.912 106.3 53.6 -64.0 -38.9 2.7 -11.0 23.1 236 236 A N H ><>S+ 0 0 2 -4,-2.3 5,-3.1 1,-0.2 3,-1.0 0.930 105.4 52.5 -59.5 -47.1 0.1 -10.7 20.4 237 237 A L H ><5S+ 0 0 0 -4,-1.5 3,-2.1 4,-0.3 5,-0.2 0.898 103.6 56.6 -56.8 -42.0 2.7 -11.7 17.7 238 238 A E H 3<5S+ 0 0 64 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.770 110.2 46.1 -61.4 -25.3 3.5 -14.8 19.6 239 239 A E T <<5S- 0 0 70 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.209 121.5-107.8-101.1 13.6 -0.1 -15.8 19.5 240 240 A Q T < 5S+ 0 0 73 -3,-2.1 -42,-2.9 -43,-0.1 -3,-0.2 0.817 85.3 124.8 63.7 33.6 -0.4 -14.9 15.8 241 241 A K < + 0 0 45 -5,-3.1 -18,-0.3 -44,-0.2 -4,-0.3 0.069 21.4 134.3-111.2 22.8 -2.4 -11.8 16.6 242 242 A G - 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