==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAR-02 1GWO . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR A.HENRIKSEN,N.BRISSETT,M.GAJHEDE . 307 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 64.5 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 . 44 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 37.8 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 0 2 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 0 A M 0 0 147 0, 0.0 2,-0.1 0, 0.0 292,-0.1 0.000 360.0 360.0 360.0 128.0 27.8 15.1 44.1 2 1 A Q - 0 0 181 1,-0.1 2,-0.2 290,-0.1 291,-0.1 -0.383 360.0-115.6 -65.4 138.1 26.9 17.9 41.7 3 2 A L - 0 0 23 -2,-0.1 120,-0.2 118,-0.1 -1,-0.1 -0.501 35.2-166.9 -73.9 144.0 23.4 17.9 40.4 4 3 A T B > -A 122 0A 46 118,-3.1 3,-1.5 -2,-0.2 118,-1.1 -0.998 29.3-139.1-138.8 138.9 23.0 17.3 36.6 5 4 A P T 3 S+ 0 0 46 0, 0.0 3,-0.3 0, 0.0 115,-0.1 0.691 105.9 54.3 -65.1 -19.4 20.2 17.7 34.1 6 5 A T T > S+ 0 0 75 1,-0.2 3,-1.6 116,-0.1 4,-0.3 0.237 70.7 117.7-100.0 13.1 21.2 14.5 32.4 7 6 A F T < S+ 0 0 80 -3,-1.5 4,-0.3 1,-0.3 3,-0.3 0.796 85.3 31.4 -49.8 -37.8 21.0 12.4 35.6 8 7 A Y T 3> S+ 0 0 5 -3,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.316 83.8 109.9-106.7 9.6 18.2 10.1 34.3 9 8 A D T <4 S+ 0 0 57 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.686 94.5 26.5 -59.5 -17.8 19.1 10.2 30.6 10 9 A N T 4 S+ 0 0 165 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.722 127.5 42.5-110.4 -37.8 20.2 6.5 30.7 11 10 A S T 4 S- 0 0 59 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.756 138.4 -0.3 -82.6 -26.4 18.2 5.2 33.6 12 11 A a >< + 0 0 0 -4,-2.9 3,-1.7 83,-0.1 4,-0.3 -0.327 63.1 166.9-163.8 70.3 14.8 6.8 32.8 13 12 A P T 3 S+ 0 0 71 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.575 81.2 55.6 -66.1 -8.9 14.9 9.0 29.7 14 13 A N T 3> S+ 0 0 96 -6,-0.1 4,-2.2 1,-0.1 5,-0.2 0.310 74.0 104.6-106.1 7.7 11.1 9.2 29.7 15 14 A V H <> S+ 0 0 8 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.935 82.6 45.2 -54.2 -52.6 10.7 10.6 33.2 16 15 A S H > S+ 0 0 38 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.866 112.0 53.7 -60.7 -36.8 9.9 14.2 32.2 17 16 A N H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 109.0 48.0 -64.8 -39.8 7.4 12.8 29.5 18 17 A I H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.902 113.2 48.0 -67.6 -42.2 5.5 10.8 32.1 19 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.938 112.1 49.8 -63.1 -48.1 5.4 13.7 34.5 20 19 A R H X S+ 0 0 113 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.935 110.1 49.5 -56.8 -50.9 4.2 16.0 31.7 21 20 A D H X S+ 0 0 88 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.898 108.8 53.2 -56.9 -43.4 1.4 13.6 30.6 22 21 A T H X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.922 112.6 43.9 -59.2 -44.4 0.2 13.2 34.2 23 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.879 108.8 57.7 -69.7 -37.3 -0.1 17.0 34.6 24 23 A V H X S+ 0 0 45 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.926 110.5 43.2 -58.9 -46.2 -1.7 17.4 31.1 25 24 A N H >X S+ 0 0 82 -4,-2.2 3,-0.8 1,-0.2 4,-0.6 0.904 113.5 51.2 -67.5 -40.6 -4.6 15.1 32.1 26 25 A E H >X S+ 0 0 33 -4,-1.9 4,-2.3 1,-0.2 3,-1.2 0.899 101.0 62.8 -64.2 -39.4 -5.0 16.6 35.5 27 26 A L H 3< S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 92.6 65.9 -57.4 -25.2 -5.2 20.1 34.1 28 27 A R H << S+ 0 0 177 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.862 116.9 24.2 -66.5 -35.3 -8.4 19.1 32.2 29 28 A S H << S+ 0 0 95 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.613 136.0 33.1-103.4 -18.2 -10.3 18.6 35.5 30 29 A D >< - 0 0 24 -4,-2.3 3,-1.5 -5,-0.1 4,-0.3 -0.740 58.0-179.8-141.9 89.5 -8.3 20.9 37.7 31 30 A P T 3 S+ 0 0 88 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.570 83.6 63.4 -65.5 -7.5 -6.8 24.0 35.9 32 31 A R T >> S+ 0 0 59 1,-0.2 4,-2.1 2,-0.1 3,-0.6 0.679 75.7 88.3 -90.0 -20.7 -5.3 24.9 39.3 33 32 A I H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.778 81.6 58.8 -49.8 -35.9 -3.0 21.9 39.6 34 33 A A H 3> S+ 0 0 3 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.949 110.1 41.9 -61.9 -49.0 -0.1 23.5 37.7 35 34 A A H <> S+ 0 0 14 -3,-0.6 4,-1.9 -4,-0.3 -2,-0.2 0.901 113.7 54.4 -64.5 -39.7 0.1 26.4 40.2 36 35 A S H X S+ 0 0 10 -4,-2.1 4,-1.6 1,-0.2 40,-0.3 0.879 107.5 49.0 -61.0 -42.0 -0.3 24.0 43.1 37 36 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.848 108.3 52.6 -68.6 -37.2 2.6 21.7 42.0 38 37 A L H X S+ 0 0 13 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.923 110.2 49.9 -64.8 -41.2 5.0 24.6 41.6 39 38 A R H X S+ 0 0 83 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.836 104.5 57.2 -66.2 -33.8 4.1 25.7 45.1 40 39 A L H X S+ 0 0 1 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.885 107.6 48.3 -64.2 -36.8 4.7 22.2 46.5 41 40 A H H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.897 111.1 51.1 -68.2 -41.3 8.3 22.3 45.1 42 41 A F H X S+ 0 0 47 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.949 111.9 45.9 -60.5 -50.7 8.8 25.8 46.6 43 42 A H H < S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.750 112.1 53.5 -65.4 -24.2 7.6 24.6 50.0 44 43 A D H >< S+ 0 0 0 -4,-1.3 3,-1.2 -5,-0.2 7,-0.4 0.947 109.9 45.2 -75.0 -48.1 9.7 21.5 49.7 45 44 A b H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 5,-0.2 0.747 105.1 60.8 -66.8 -28.4 12.9 23.4 49.0 46 45 A F T 3< S+ 0 0 1 -4,-1.7 2,-0.5 1,-0.2 -1,-0.2 0.425 99.1 63.5 -80.8 1.3 12.5 26.0 51.7 47 46 A V T <4 S- 0 0 0 -3,-1.2 4,-0.3 2,-0.3 6,-0.2 -0.876 134.8 -33.5-130.9 100.1 12.5 23.4 54.4 48 47 A N T 4 S- 0 0 62 -2,-0.5 -2,-0.1 86,-0.1 -3,-0.1 0.711 113.5 -75.8 62.7 21.8 15.8 21.4 54.7 49 48 A G S < S- 0 0 1 -4,-0.7 2,-1.9 1,-0.1 4,-0.3 -0.136 79.4 -37.4 83.7 176.4 16.2 21.8 51.0 50 49 A b S S+ 0 0 0 238,-1.2 241,-0.3 235,-0.2 -5,-0.2 -0.542 85.4 127.3 -79.3 82.4 14.5 20.1 48.1 51 50 A D S S- 0 0 0 -2,-1.9 76,-2.4 -7,-0.4 48,-0.2 0.051 78.6-111.3-126.1 23.0 14.3 16.6 49.7 52 51 A A S > S+ 0 0 0 74,-0.2 3,-1.0 46,-0.2 4,-0.4 0.738 74.0 138.5 52.7 23.2 10.6 15.7 49.3 53 52 A S G > + 0 0 0 -4,-0.3 3,-1.2 1,-0.2 12,-0.4 0.836 64.6 62.1 -66.4 -28.0 10.3 16.0 53.1 54 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.2 -7,-0.1 12,-0.1 0.727 93.8 62.5 -68.5 -22.3 7.1 17.8 52.5 55 54 A L G < S+ 0 0 5 -3,-1.0 -1,-0.2 10,-0.1 2,-0.2 0.630 81.1 107.9 -78.6 -12.7 5.6 14.8 50.8 56 55 A L < - 0 0 1 -3,-1.2 10,-0.4 -4,-0.4 9,-0.4 -0.452 60.7-143.9 -72.0 134.0 5.9 12.7 54.0 57 56 A D - 0 0 48 246,-2.6 73,-0.1 -2,-0.2 8,-0.1 -0.313 38.6 -65.9 -86.3 174.8 2.8 11.8 56.0 58 57 A N + 0 0 83 6,-0.1 2,-0.3 -2,-0.1 5,-0.2 -0.194 49.0 179.3 -62.2 151.6 2.5 11.6 59.8 59 58 A T - 0 0 49 3,-1.6 3,-0.1 -3,-0.1 5,-0.1 -0.934 43.0-108.6-144.5 162.7 4.4 9.0 61.9 60 59 A T S S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.719 118.6 47.7 -70.0 -15.9 4.4 8.4 65.6 61 60 A S S S+ 0 0 102 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.749 121.1 18.5 -96.1 -26.4 8.0 9.7 65.7 62 61 A F S S- 0 0 38 -3,-0.1 -3,-1.6 69,-0.0 -1,-0.2 -0.999 73.6-120.5-146.5 145.5 7.7 12.9 63.7 63 62 A R - 0 0 115 -2,-0.3 69,-0.7 -5,-0.2 2,-0.1 -0.561 34.1-108.0 -84.9 149.5 4.9 15.2 62.6 64 63 A T > - 0 0 6 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.452 13.3-132.3 -75.9 144.5 4.2 15.9 58.9 65 64 A E G > S+ 0 0 0 -12,-0.4 3,-1.9 -9,-0.4 6,-0.2 0.652 98.2 83.0 -69.3 -13.2 5.0 19.3 57.3 66 65 A K G 3 S+ 0 0 29 -10,-0.4 -1,-0.3 1,-0.3 8,-0.2 0.687 85.7 56.1 -65.1 -16.7 1.5 19.2 55.9 67 66 A D G < S+ 0 0 98 -3,-1.4 -1,-0.3 4,-0.1 -2,-0.1 0.170 81.9 119.5 -99.4 16.4 0.1 20.5 59.2 68 67 A A S X> S- 0 0 0 -3,-1.9 4,-3.3 1,-0.1 3,-1.7 -0.480 80.7-109.9 -77.9 153.6 2.4 23.6 59.1 69 68 A F T 34 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.864 120.5 48.5 -52.8 -37.1 0.8 27.0 59.1 70 69 A G T 34 S+ 0 0 13 1,-0.1 -1,-0.3 65,-0.1 -4,-0.1 0.599 122.1 31.6 -80.9 -11.3 1.8 27.4 55.5 71 70 A N T X> S+ 0 0 4 -3,-1.7 4,-2.1 -6,-0.2 3,-2.0 0.749 88.2 102.0-112.4 -38.7 0.6 24.0 54.3 72 71 A A T 3< S- 0 0 40 -4,-3.3 -5,-0.1 1,-0.3 -6,-0.0 -0.243 106.0 -7.1 -53.1 130.8 -2.4 23.1 56.4 73 72 A N T 34 S+ 0 0 127 -7,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.823 136.6 63.8 49.5 35.6 -5.6 23.7 54.4 74 73 A S T <4 S+ 0 0 20 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.2 0.401 75.6 74.9-146.0 -61.9 -3.5 25.3 51.7 75 74 A A < + 0 0 18 -4,-2.1 -1,-0.4 -9,-0.2 2,-0.3 -0.339 61.3 166.5 -63.3 146.1 -1.0 23.0 50.0 76 75 A R + 0 0 76 -40,-0.3 -36,-0.1 -3,-0.1 -37,-0.0 -0.941 35.8 71.4-154.4 172.8 -2.6 20.6 47.5 77 76 A G > + 0 0 10 -2,-0.3 4,-1.6 -37,-0.0 3,-0.5 0.465 52.7 133.3 94.1 3.4 -2.0 18.2 44.6 78 77 A F H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.880 71.7 53.5 -54.3 -42.9 -0.3 15.5 46.8 79 78 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.889 105.3 55.6 -61.1 -35.9 -2.4 12.7 45.1 80 79 A V H > S+ 0 0 6 -3,-0.5 4,-2.0 1,-0.2 5,-0.2 0.883 105.0 51.5 -63.9 -38.1 -1.3 13.9 41.7 81 80 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.909 107.6 53.1 -65.2 -40.9 2.4 13.5 42.8 82 81 A D H X S+ 0 0 40 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.883 107.2 54.4 -60.0 -37.9 1.6 9.9 43.9 83 82 A R H X S+ 0 0 120 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.946 112.1 39.1 -62.9 -53.2 0.1 9.3 40.4 84 83 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.874 114.1 57.8 -66.8 -33.8 3.1 10.3 38.4 85 84 A K H X S+ 0 0 5 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.946 107.8 45.8 -59.8 -46.9 5.3 8.7 41.0 86 85 A A H X S+ 0 0 56 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.897 113.7 49.5 -62.4 -41.8 3.6 5.4 40.5 87 86 A A H X S+ 0 0 39 -4,-2.1 4,-1.9 2,-0.2 3,-0.3 0.922 112.1 46.8 -64.2 -45.4 3.8 5.7 36.7 88 87 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.895 109.0 56.1 -64.8 -37.6 7.5 6.6 36.8 89 88 A E H < S+ 0 0 31 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.815 107.0 50.0 -63.6 -30.6 8.1 3.6 39.1 90 89 A S H < S+ 0 0 106 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.898 116.8 39.8 -73.6 -40.4 6.5 1.3 36.5 91 90 A A H < S+ 0 0 60 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.785 135.9 17.9 -78.1 -28.0 8.6 2.6 33.7 92 91 A a S >X S- 0 0 12 -4,-2.8 3,-1.2 -5,-0.2 4,-0.6 -0.607 83.4-144.4-147.6 80.5 11.7 2.9 35.9 93 92 A P T 34 S- 0 0 66 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.144 78.2 -12.4 -49.8 129.7 11.7 0.8 39.1 94 93 A R T 34 S+ 0 0 162 1,-0.1 3,-0.1 2,-0.1 206,-0.1 0.834 109.2 104.9 45.9 47.4 13.4 2.4 42.1 95 94 A T T <4 + 0 0 31 -3,-1.2 2,-0.5 1,-0.2 -1,-0.1 0.767 58.3 58.9-119.2 -51.9 15.1 5.1 40.0 96 95 A V S < S- 0 0 0 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.756 73.0-138.3 -92.3 125.0 13.6 8.5 40.3 97 96 A S > - 0 0 1 -2,-0.5 4,-2.5 27,-0.3 201,-0.1 -0.325 18.3-121.2 -74.7 160.2 13.5 10.1 43.7 98 97 A c H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.878 113.6 57.5 -69.3 -36.1 10.5 12.0 44.9 99 98 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.942 112.4 39.2 -59.6 -48.1 12.6 15.1 45.4 100 99 A D H > S+ 0 0 0 24,-0.4 4,-2.7 2,-0.2 5,-0.2 0.903 113.8 56.0 -68.1 -40.6 13.7 15.1 41.7 101 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.912 108.6 46.8 -57.2 -44.9 10.2 14.1 40.6 102 101 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.841 110.8 53.1 -66.7 -34.4 8.6 17.1 42.4 103 102 A T H X S+ 0 0 4 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.924 112.1 44.3 -66.3 -45.8 11.3 19.3 40.8 104 103 A I H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.925 111.3 53.9 -64.7 -44.1 10.5 18.1 37.3 105 104 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.857 108.5 50.3 -58.0 -36.9 6.8 18.4 38.0 106 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.940 111.5 47.1 -67.5 -47.1 7.3 22.0 39.0 107 106 A Q H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 113.6 47.4 -60.6 -45.3 9.2 22.7 35.8 108 107 A Q H X S+ 0 0 21 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.854 108.8 55.6 -66.1 -34.6 6.7 21.0 33.6 109 108 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 6,-0.2 0.944 108.1 48.1 -62.8 -46.5 3.9 22.9 35.4 110 109 A V H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 -2,-0.2 0.940 114.7 45.3 -58.6 -48.4 5.5 26.2 34.6 111 110 A T H ><5S+ 0 0 37 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.916 111.3 52.1 -62.2 -45.2 6.0 25.2 30.9 112 111 A L H 3<5S+ 0 0 47 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 105.4 56.0 -62.0 -31.3 2.5 23.8 30.6 113 112 A A T 3<5S- 0 0 15 -4,-1.9 117,-2.9 -5,-0.2 -1,-0.3 0.396 133.9 -90.8 -81.6 3.9 1.1 27.1 32.0 114 113 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.524 86.2 131.4 100.3 8.6 2.9 28.9 29.2 115 114 A G < - 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0 0 37 42,-2.9 4,-2.6 -2,-0.6 5,-0.2 -0.142 24.9-136.9 -44.1 125.0 -5.1 50.5 44.1 200 199 A T H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.829 102.6 50.9 -58.5 -36.1 -8.5 51.9 45.2 201 200 A T H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.900 114.1 44.0 -68.5 -40.1 -10.4 50.6 42.2 202 201 A Y H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.831 106.1 63.1 -71.6 -33.0 -9.0 47.1 42.7 203 202 A L H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.910 102.1 50.3 -56.8 -43.7 -9.7 47.5 46.4 204 203 A Q H X S+ 0 0 107 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.927 110.4 49.4 -62.3 -44.6 -13.4 47.8 45.6 205 204 A T H X S+ 0 0 77 -4,-1.4 4,-1.3 1,-0.2 3,-0.3 0.936 112.4 46.6 -60.4 -47.8 -13.2 44.7 43.5 206 205 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.848 107.6 57.6 -64.0 -34.8 -11.5 42.7 46.2 207 206 A R H < S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.849 105.9 50.6 -64.7 -32.2 -14.0 43.9 48.8 208 207 A G H < S+ 0 0 62 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.812 114.0 43.3 -74.0 -31.0 -16.8 42.5 46.7 209 208 A L H < S+ 0 0 93 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.787 127.7 31.4 -81.9 -29.9 -15.0 39.1 46.5 210 209 A d S < S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.594 79.5-175.8-129.1 70.4 -14.0 39.2 50.2 211 210 A P > - 0 0 65 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 -0.262 41.7 -88.0 -65.5 155.9 -16.7 41.1 52.2 212 211 A L T 3 S+ 0 0 98 1,-0.3 3,-0.1 -27,-0.1 -5,-0.0 -0.387 116.0 13.6 -63.8 139.9 -16.0 41.6 55.9 213 212 A N T 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.741 106.9 124.9 64.9 23.3 -17.3 38.7 58.0 214 213 A G S < S- 0 0 28 -3,-1.6 2,-0.8 1,-0.1 -1,-0.2 -0.238 76.0 -48.9 -99.4-168.3 -17.6 36.7 54.8 215 214 A N > - 0 0 108 1,-0.2 3,-1.4 -2,-0.1 -37,-0.3 -0.510 47.5-168.0 -66.8 105.3 -16.2 33.3 53.7 216 215 A L T 3 S+ 0 0 64 -2,-0.8 -37,-2.3 1,-0.3 -36,-0.2 0.627 84.3 59.8 -71.2 -11.7 -12.5 33.5 54.5 217 216 A S T 3 S+ 0 0 57 -39,-0.2 -1,-0.3 -40,-0.2 -2,-0.1 0.468 75.5 119.6 -95.5 -1.3 -11.9 30.4 52.5 218 217 A A < - 0 0 32 -3,-1.4 -40,-2.4 -41,-0.1 2,-0.3 -0.331 63.2-123.3 -62.0 146.3 -13.2 31.9 49.2 219 218 A L E -D 177 0D 74 -42,-0.2 2,-0.3 -41,-0.1 -42,-0.2 -0.753 26.2-175.1-102.0 142.7 -10.5 31.9 46.5 220 219 A V E -D 176 0D 9 -44,-2.8 -44,-2.3 -2,-0.3 2,-0.2 -0.950 31.6-104.2-129.9 148.8 -9.2 34.9 44.5 221 220 A D E -D 175 0D 47 -2,-0.3 -46,-0.2 -46,-0.2 3,-0.1 -0.498 14.1-144.4 -76.6 140.1 -6.7 35.0 41.6 222 221 A F S S+ 0 0 18 -48,-1.8 2,-0.6 5,-0.3 22,-0.5 0.868 94.0 43.8 -68.8 -35.2 -3.2 36.2 42.3 223 222 A D - 0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.929 63.9-169.3-117.0 111.7 -3.0 37.8 38.9 224 223 A L S S+ 0 0 63 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.692 87.7 53.7 -70.3 -18.6 -6.1 39.8 37.7 225 224 A R S S+ 0 0 90 1,-0.2 -1,-0.1 8,-0.1 -2,-0.0 0.975 130.3 2.6 -79.9 -63.5 -4.7 40.0 34.2 226 225 A T > - 0 0 29 3,-0.1 3,-1.1 -54,-0.1 -1,-0.2 -0.703 68.4-175.1-129.4 81.6 -4.0 36.4 33.3 227 226 A P T 3 S+ 0 0 38 0, 0.0 -53,-1.1 0, 0.0 -5,-0.3 0.675 85.0 22.6 -44.5 -32.9 -5.2 34.1 36.3 228 227 A T T 3 S+ 0 0 88 -55,-0.2 2,-0.4 -7,-0.1 -55,-0.1 0.366 101.3 94.6-123.5 3.8 -3.9 30.9 34.8 229 228 A I S < S- 0 0 83 -3,-1.1 2,-1.1 -57,-0.3 -115,-0.2 -0.841 70.4-130.7-102.6 134.3 -1.2 31.9 32.4 230 229 A F + 0 0 2 -117,-2.9 2,-0.3 -2,-0.4 -57,-0.1 -0.698 58.8 121.7 -83.5 101.9 2.5 32.0 33.4 231 230 A D S > S- 0 0 23 -2,-1.1 3,-0.7 -62,-0.2 -116,-0.1 -0.864 76.4 -93.0-148.1-179.5 3.6 35.4 32.2 232 231 A N T >> S+ 0 0 11 -2,-0.3 3,-1.5 1,-0.2 4,-0.9 0.340 90.4 104.9 -84.6 8.6 5.2 38.6 33.4 233 232 A K H 3> + 0 0 80 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.775 66.0 73.2 -59.1 -28.0 1.8 40.3 33.9 234 233 A Y H <> S+ 0 0 2 -3,-0.7 4,-1.2 1,-0.2 -1,-0.3 0.868 98.6 46.2 -53.9 -38.4 2.2 39.8 37.7 235 234 A Y H <> S+ 0 0 0 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.794 105.3 58.3 -77.9 -28.5 4.8 42.5 37.6 236 235 A V H X S+ 0 0 26 -4,-0.9 4,-0.9 1,-0.2 -2,-0.2 0.902 104.6 53.8 -65.5 -38.6 2.7 44.9 35.5 237 236 A N H ><>S+ 0 0 2 -4,-2.1 5,-3.5 1,-0.2 3,-0.8 0.905 104.7 53.9 -60.7 -43.5 0.0 44.6 38.3 238 237 A L H ><5S+ 0 0 0 -4,-1.2 3,-2.1 4,-0.3 -1,-0.2 0.885 102.0 57.9 -59.0 -41.0 2.6 45.6 40.9 239 238 A E H 3<5S+ 0 0 64 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.783 110.1 44.4 -61.1 -27.4 3.5 48.8 39.0 240 239 A E T <<5S- 0 0 74 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.153 122.0-107.9-101.6 16.6 -0.2 49.8 39.2 241 240 A Q T < 5S+ 0 0 76 -3,-2.1 -42,-2.9 -43,-0.1 -3,-0.2 0.844 83.8 127.3 60.6 35.8 -0.4 48.8 42.9 242 241 A K < + 0 0 45 -5,-3.5 -18,-0.3 -44,-0.2 -4,-0.3 0.079 21.6 136.9-110.7 24.3 -2.5 45.8 42.0 243 242 A G - 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