==== 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 20-MAY-01 1H58 . 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) . 13128.0 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 . 12 3.9 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 . 2 0.7 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 . 11 3.6 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 . 113 36.9 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 2 1 2 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 . 4 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 0 222 0, 0.0 2,-0.2 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 141.9 27.0 15.7 17.0 2 2 A L - 0 0 27 118,-0.1 120,-0.2 284,-0.0 289,-0.0 -0.541 360.0-168.6 -78.1 147.5 23.5 15.9 18.3 3 3 A T B > -A 121 0A 50 118,-2.5 3,-1.5 -2,-0.2 118,-1.2 -1.000 31.1-132.9-141.8 141.9 23.2 16.3 22.1 4 4 A P T 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.741 106.7 56.7 -62.6 -23.4 20.3 16.1 24.7 5 5 A T T > + 0 0 75 1,-0.2 3,-1.8 116,-0.1 4,-0.3 0.295 68.8 117.8 -93.3 10.4 21.4 19.4 26.3 6 6 A F T < S+ 0 0 100 -3,-1.5 4,-0.4 1,-0.3 3,-0.3 0.790 85.7 29.8 -47.3 -38.9 21.1 21.4 23.1 7 7 A Y T 3> S+ 0 0 2 -3,-0.4 4,-2.7 1,-0.1 -1,-0.3 0.284 83.6 110.1-108.2 11.5 18.4 23.7 24.4 8 8 A D T <4 S+ 0 0 59 -3,-1.8 -1,-0.1 1,-0.2 -2,-0.1 0.736 95.3 26.5 -59.1 -21.9 19.2 23.7 28.1 9 9 A N T 4 S+ 0 0 163 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.796 128.0 41.6-104.3 -46.7 20.4 27.3 27.9 10 10 A S T 4 S+ 0 0 59 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.782 138.3 1.4 -75.1 -31.1 18.4 28.7 24.9 11 11 A a >< + 0 0 0 -4,-2.7 3,-1.9 83,-0.1 4,-0.3 -0.354 65.3 167.6-157.7 67.0 15.0 27.1 25.7 12 12 A P T 3 S+ 0 0 75 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.710 79.4 54.1 -57.6 -21.9 15.1 25.0 28.9 13 13 A N T 3> S+ 0 0 100 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.326 74.0 105.0 -97.5 8.8 11.3 24.7 29.0 14 14 A V H <> S+ 0 0 9 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.914 80.2 48.8 -55.3 -48.1 10.8 23.3 25.5 15 15 A S H > S+ 0 0 38 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.867 112.0 50.3 -60.8 -37.4 10.1 19.7 26.6 16 16 A N H > S+ 0 0 93 2,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.862 109.8 49.2 -70.1 -37.1 7.5 21.0 29.1 17 17 A I H X S+ 0 0 32 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.903 112.8 48.5 -67.7 -40.1 5.7 23.1 26.6 18 18 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.944 112.0 48.9 -63.6 -48.5 5.6 20.1 24.2 19 19 A R H X S+ 0 0 112 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.921 109.3 51.9 -58.2 -47.5 4.3 17.9 27.0 20 20 A D H X S+ 0 0 101 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.891 107.6 53.0 -57.8 -40.8 1.6 20.3 28.0 21 21 A T H X S+ 0 0 15 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.917 112.2 44.4 -61.5 -43.7 0.4 20.6 24.4 22 22 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.899 109.9 54.2 -69.4 -41.1 0.0 16.8 24.1 23 23 A V H X S+ 0 0 47 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.921 111.2 47.3 -58.0 -43.7 -1.6 16.4 27.5 24 24 A N H >< S+ 0 0 74 -4,-2.1 3,-0.7 -5,-0.2 4,-0.5 0.906 113.3 46.8 -64.1 -45.6 -4.3 18.9 26.5 25 25 A E H >X S+ 0 0 30 -4,-2.0 4,-2.6 1,-0.2 3,-1.2 0.845 102.0 65.1 -66.9 -35.7 -4.9 17.4 23.1 26 26 A L H 3< S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 90.8 66.0 -60.2 -25.7 -5.2 13.9 24.5 27 27 A R T << S+ 0 0 174 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.829 117.1 24.6 -66.9 -30.4 -8.3 14.9 26.4 28 28 A S T <4 S+ 0 0 91 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.648 135.3 33.8-105.8 -21.9 -10.2 15.3 23.2 29 29 A D >< - 0 0 25 -4,-2.6 3,-1.7 1,-0.1 4,-0.3 -0.765 58.9-178.3-138.3 89.7 -8.1 13.0 20.9 30 30 A P T 3 S+ 0 0 88 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.556 83.1 62.7 -63.8 -7.2 -6.8 9.9 22.7 31 31 A R T 3> S+ 0 0 61 1,-0.2 4,-2.3 2,-0.1 3,-0.4 0.592 75.2 91.4 -93.8 -13.8 -5.1 8.9 19.5 32 32 A I H <> S+ 0 0 1 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.792 79.3 57.5 -55.6 -35.8 -2.8 11.9 19.2 33 33 A A H > S+ 0 0 5 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.954 111.5 43.4 -61.1 -47.8 0.2 10.4 21.0 34 34 A A H > S+ 0 0 14 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.932 113.1 52.5 -61.6 -46.3 0.3 7.5 18.5 35 35 A S H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 40,-0.3 0.891 108.7 50.0 -58.3 -42.3 -0.2 9.9 15.6 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.897 107.4 52.9 -65.7 -41.3 2.7 12.1 16.6 37 37 A L H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.922 109.5 50.2 -60.0 -42.7 5.1 9.2 17.0 38 38 A R H X S+ 0 0 85 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.841 105.3 56.7 -65.3 -33.0 4.2 8.1 13.5 39 39 A L H X S+ 0 0 2 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.930 108.4 47.1 -63.0 -43.8 4.8 11.6 12.1 40 40 A H H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 3,-0.3 0.907 111.0 52.0 -62.7 -44.0 8.4 11.5 13.5 41 41 A F H X S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.952 111.8 45.7 -57.7 -51.0 8.9 8.0 12.1 42 42 A H H < S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.675 111.1 54.1 -70.0 -15.4 7.8 9.2 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.3 7,-0.3 0.939 110.0 45.8 -79.0 -49.9 9.9 12.3 8.9 44 44 A b H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.3 -2,-0.2 0.775 105.4 59.8 -63.1 -31.1 13.1 10.3 9.7 45 45 A F T 3< S+ 0 0 1 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.455 100.1 63.1 -79.1 0.5 12.6 7.7 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.5 4,-0.3 2,-0.3 6,-0.2 -0.863 134.5 -34.6-131.0 99.2 12.7 10.5 4.2 47 47 A N T 4 S- 0 0 66 -2,-0.5 -2,-0.1 86,-0.1 -3,-0.1 0.687 113.6 -73.0 63.5 21.2 15.9 12.4 4.0 48 48 A G S < S- 0 0 1 -4,-0.7 2,-1.8 -5,-0.1 4,-0.4 -0.128 78.8 -41.7 86.5 173.8 16.4 12.1 7.7 49 49 A b S S+ 0 0 0 238,-1.2 241,-0.3 235,-0.2 -5,-0.2 -0.581 85.6 129.5 -79.7 87.1 14.6 13.8 10.6 50 50 A D S S- 0 0 0 -2,-1.8 76,-2.7 -7,-0.3 48,-0.2 0.093 79.3-108.7-127.3 17.4 14.5 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.1 47,-0.2 4,-0.5 0.697 75.7 138.1 59.7 20.6 10.8 18.1 9.3 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.2 1,-0.3 12,-0.4 0.857 64.2 61.5 -63.8 -31.8 10.5 17.7 5.6 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -7,-0.1 12,-0.1 0.718 95.0 62.3 -66.6 -21.6 7.2 15.9 6.2 54 54 A L G < S+ 0 0 5 -3,-1.1 -1,-0.2 10,-0.1 -2,-0.2 0.673 80.5 104.9 -80.4 -15.2 5.7 19.0 7.8 55 55 A L < - 0 0 2 -3,-1.2 10,-0.4 -4,-0.5 9,-0.4 -0.416 62.3-141.2 -70.8 137.5 6.0 21.1 4.6 56 56 A D - 0 0 49 246,-2.6 73,-0.1 1,-0.2 -1,-0.1 -0.393 38.7 -65.5 -89.5 172.7 2.9 21.9 2.6 57 57 A N + 0 0 82 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.180 50.2 178.4 -58.3 144.5 2.6 22.0 -1.2 58 58 A T - 0 0 52 3,-1.9 3,-0.2 -3,-0.1 5,-0.1 -0.913 43.4-108.0-139.3 164.5 4.5 24.7 -3.3 59 59 A T S S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.677 119.1 48.0 -71.0 -13.2 4.6 25.2 -7.1 60 60 A S S S+ 0 0 100 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.705 121.5 18.2 -98.7 -24.6 8.2 23.9 -7.1 61 61 A F S S- 0 0 34 -3,-0.2 -3,-1.9 69,-0.0 -1,-0.3 -0.996 72.9-121.0-149.7 144.3 7.8 20.7 -5.0 62 62 A R - 0 0 111 -2,-0.3 69,-0.5 -5,-0.2 2,-0.2 -0.505 34.5-107.6 -82.0 151.6 5.0 18.4 -3.9 63 63 A T > - 0 0 5 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.482 13.9-132.3 -77.9 147.7 4.2 17.8 -0.2 64 64 A E G > S+ 0 0 0 -9,-0.4 3,-2.1 -12,-0.4 6,-0.2 0.633 98.5 84.0 -71.9 -12.7 5.1 14.4 1.3 65 65 A K G 3 S+ 0 0 32 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.673 86.0 55.8 -64.5 -15.5 1.6 14.5 2.8 66 66 A D G < S+ 0 0 97 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.2 0.264 81.4 117.9-100.4 11.9 0.4 13.1 -0.6 67 67 A A S X> S- 0 0 0 -3,-2.1 4,-3.2 1,-0.1 3,-1.5 -0.396 80.1-111.9 -73.8 155.3 2.7 10.1 -0.4 68 68 A F T 34 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.852 119.3 50.4 -57.8 -33.2 1.1 6.6 -0.4 69 69 A G T 34 S+ 0 0 17 1,-0.1 -1,-0.3 65,-0.1 -4,-0.1 0.568 121.6 31.3 -82.5 -8.3 2.3 6.2 3.2 70 70 A N T X> S+ 0 0 3 -3,-1.5 4,-2.5 -6,-0.2 3,-2.0 0.715 87.7 103.3-115.9 -37.5 0.9 9.5 4.4 71 71 A A T 3< S- 0 0 42 -4,-3.2 -5,-0.1 1,-0.3 -6,-0.0 -0.291 103.8 -5.2 -56.4 127.6 -2.2 10.4 2.4 72 72 A N T 34 S+ 0 0 116 -7,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.808 136.5 60.4 57.0 31.8 -5.3 9.8 4.4 73 73 A S T <4 S+ 0 0 20 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.373 76.6 80.3-146.2 -57.5 -3.2 8.3 7.2 74 74 A A < + 0 0 20 -4,-2.5 -1,-0.3 -9,-0.1 2,-0.3 -0.364 60.8 161.0 -62.0 138.8 -0.7 10.8 8.6 75 75 A R + 0 0 75 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.954 31.9 72.9-154.0 170.1 -2.4 13.2 11.1 76 76 A G >> + 0 0 9 -2,-0.3 4,-1.5 -37,-0.0 3,-0.8 0.448 51.1 134.5 99.6 3.1 -1.8 15.6 13.9 77 77 A F H 3> S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 70.4 53.7 -53.7 -41.7 -0.3 18.5 11.9 78 78 A P H 3> S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.827 106.1 54.2 -64.6 -29.9 -2.3 21.2 13.6 79 79 A V H <> S+ 0 0 6 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.861 106.6 50.7 -70.8 -36.2 -1.1 20.0 17.0 80 80 A I H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.897 109.2 52.0 -67.5 -38.2 2.5 20.3 15.9 81 81 A D H X S+ 0 0 43 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.918 108.4 52.4 -61.5 -43.4 1.6 23.9 14.7 82 82 A R H X S+ 0 0 107 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 111.9 42.6 -60.8 -48.2 0.2 24.6 18.1 83 83 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.880 112.6 54.7 -69.2 -34.0 3.2 23.5 20.1 84 84 A K H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.935 108.4 48.6 -62.4 -44.9 5.5 25.2 17.6 85 85 A A H X S+ 0 0 61 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.887 111.9 49.4 -61.4 -40.4 3.7 28.5 18.1 86 86 A A H X S+ 0 0 38 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.920 112.9 46.3 -65.6 -44.3 3.9 28.1 21.9 87 87 A V H X S+ 0 0 0 -4,-2.7 4,-3.7 1,-0.2 -2,-0.2 0.884 109.7 54.2 -66.3 -38.3 7.6 27.4 21.8 88 88 A E H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 108.4 50.4 -63.1 -34.5 8.2 30.3 19.4 89 89 A S H < S+ 0 0 102 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.884 117.1 39.5 -69.6 -38.9 6.5 32.5 22.0 90 90 A A H < S+ 0 0 59 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 137.5 13.0 -76.7 -43.5 8.7 31.2 24.8 91 91 A a S >X S- 0 0 16 -4,-3.7 3,-1.2 -5,-0.1 4,-0.6 -0.706 84.0-144.5-138.5 84.1 11.9 31.1 22.8 92 92 A P T 34 S- 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.156 76.4 -8.3 -51.9 135.0 11.7 32.9 19.4 93 93 A R T 34 S+ 0 0 170 1,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.786 108.9 102.8 46.2 41.5 13.7 31.4 16.5 94 94 A T T <4 + 0 0 34 -3,-1.2 2,-0.5 1,-0.2 -1,-0.1 0.796 59.8 58.5-115.3 -50.5 15.4 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 -0.782 73.2-136.2 -95.0 123.8 13.8 25.3 18.3 96 96 A S > - 0 0 0 -2,-0.5 4,-2.5 27,-0.3 5,-0.1 -0.316 17.6-123.3 -70.8 156.4 13.8 23.7 14.9 97 97 A c H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.849 113.2 59.0 -67.8 -32.6 10.6 21.9 13.8 98 98 A A H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.930 111.2 39.5 -61.2 -46.2 12.8 18.7 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.7 2,-0.2 5,-0.3 0.897 112.7 57.0 -69.4 -42.2 13.8 18.8 17.0 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.916 108.2 46.8 -55.5 -45.1 10.3 19.8 18.1 101 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.834 110.5 53.1 -68.2 -31.9 8.8 16.7 16.4 102 102 A T H X S+ 0 0 5 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.936 111.6 44.6 -68.1 -46.0 11.4 14.5 17.9 103 103 A I H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.908 111.2 54.9 -63.6 -41.1 10.6 15.8 21.4 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.887 107.8 49.7 -59.6 -40.1 6.9 15.4 20.6 105 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.941 112.8 45.7 -65.1 -47.0 7.4 11.8 19.7 106 106 A Q H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 114.4 47.6 -62.4 -46.7 9.4 11.0 22.9 107 107 A Q H X S+ 0 0 18 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.850 109.7 54.6 -63.2 -34.4 6.9 12.9 25.1 108 108 A S H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.921 109.0 47.3 -64.6 -44.3 4.0 11.1 23.3 109 109 A V H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 120,-0.2 0.920 114.5 46.9 -62.7 -44.0 5.6 7.7 24.1 110 110 A T H ><5S+ 0 0 37 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.922 109.8 52.2 -64.9 -45.1 6.1 8.6 27.7 111 111 A L H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.0 57.4 -62.1 -28.2 2.6 10.0 28.2 112 112 A A T 3<5S- 0 0 16 -4,-1.4 117,-2.6 -5,-0.2 -1,-0.3 0.402 132.9 -91.0 -83.1 2.3 1.2 6.8 26.9 113 113 A G T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.480 87.0 127.7 102.6 4.9 3.1 4.9 29.6 114 114 A G < - 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0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.919 64.1-170.8-114.3 108.4 -2.9 -3.8 19.8 223 223 A L S S+ 0 0 64 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.700 86.0 53.6 -70.5 -17.4 -6.0 -5.8 20.9 224 224 A R S S+ 0 0 98 1,-0.2 -1,-0.2 8,-0.1 -53,-0.0 0.970 130.6 1.9 -80.8 -60.5 -4.6 -6.0 24.5 225 225 A T > - 0 0 28 -54,-0.2 3,-1.0 3,-0.1 -1,-0.2 -0.719 69.6-174.8-132.5 82.7 -3.9 -2.4 25.4 226 226 A P T 3 S+ 0 0 39 0, 0.0 -53,-1.1 0, 0.0 -5,-0.2 0.672 83.7 23.9 -47.1 -32.8 -5.0 -0.2 22.4 227 227 A T T 3 S+ 0 0 89 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.362 101.2 94.1-122.0 5.0 -3.8 3.1 23.9 228 228 A I < - 0 0 79 -3,-1.0 2,-1.1 -57,-0.3 -115,-0.2 -0.855 70.0-132.7-103.4 131.5 -1.1 2.1 26.3 229 229 A F + 0 0 1 -117,-2.6 2,-0.2 -2,-0.5 -57,-0.1 -0.710 59.3 119.0 -83.5 103.3 2.6 2.0 25.3 230 230 A D S > S- 0 0 22 -2,-1.1 3,-0.6 -62,-0.2 -116,-0.1 -0.830 77.6 -87.9-148.9-175.0 3.8 -1.4 26.6 231 231 A N T >> S+ 0 0 10 -2,-0.2 3,-1.2 1,-0.2 4,-0.9 0.303 89.3 106.5 -88.9 11.6 5.2 -4.7 25.4 232 232 A K H 3> + 0 0 82 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.767 65.3 73.8 -60.4 -26.3 1.8 -6.3 24.8 233 233 A Y H <> S+ 0 0 2 -3,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.887 98.4 46.0 -53.4 -41.2 2.4 -5.9 21.0 234 234 A Y H <> S+ 0 0 0 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.816 105.9 57.3 -74.9 -31.5 4.9 -8.7 21.1 235 235 A V H X S+ 0 0 29 -4,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.906 106.3 52.8 -64.8 -38.4 2.8 -11.0 23.2 236 236 A N H ><>S+ 0 0 2 -4,-2.1 5,-2.9 1,-0.2 3,-1.3 0.932 105.5 53.3 -60.7 -47.1 0.2 -10.7 20.4 237 237 A L H ><5S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.3 5,-0.2 0.900 102.9 56.9 -55.8 -43.1 2.7 -11.7 17.8 238 238 A E H 3<5S+ 0 0 55 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.734 109.8 46.4 -61.2 -22.6 3.6 -14.9 19.7 239 239 A E T <<5S- 0 0 74 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.182 121.4-108.1-103.6 14.6 -0.1 -15.8 19.5 240 240 A Q T < 5S+ 0 0 73 -3,-2.2 -42,-2.9 -43,-0.1 -3,-0.2 0.833 85.1 124.8 61.3 35.4 -0.3 -15.0 15.8 241 241 A K < + 0 0 44 -5,-2.9 -18,-0.3 -44,-0.2 -4,-0.3 0.038 22.0 134.7-113.3 25.3 -2.4 -11.9 16.6 242 242 A G - 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