==== 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 03-MAR-02 1GW2 . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR A.HENRIKSEN,K.MENO,N.BRISSETT,M.GAJHEDE . 306 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 65.0 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 37.9 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 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 1 A Q 0 0 223 0, 0.0 2,-0.2 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 139.0 26.8 17.8 41.7 2 2 A L - 0 0 25 118,-0.1 120,-0.2 284,-0.1 289,-0.0 -0.514 360.0-167.9 -76.4 146.2 23.3 17.7 40.3 3 3 A T B > -A 121 0A 50 118,-2.8 3,-1.6 -2,-0.2 118,-1.3 -1.000 29.4-135.8-141.0 139.1 23.0 17.2 36.6 4 4 A P T 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.711 106.1 55.1 -61.4 -23.5 20.1 17.5 34.1 5 5 A T T > + 0 0 73 1,-0.2 3,-2.0 116,-0.1 4,-0.3 0.277 69.4 118.4 -95.9 10.8 21.0 14.2 32.4 6 6 A F T < S+ 0 0 102 -3,-1.6 4,-0.4 1,-0.3 3,-0.2 0.771 85.8 31.3 -48.0 -35.7 20.9 12.1 35.6 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.4 1,-0.1 -1,-0.3 0.288 83.9 108.3-109.1 11.4 18.1 9.9 34.3 8 8 A D T <4 S+ 0 0 57 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.720 95.7 27.0 -61.6 -19.0 18.9 9.9 30.6 9 9 A N T 4 S+ 0 0 163 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.781 127.7 40.7-107.3 -44.7 20.1 6.3 30.8 10 10 A S T 4 S+ 0 0 60 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.796 138.6 2.1 -77.7 -30.9 18.1 4.9 33.8 11 11 A a >< + 0 0 5 -4,-2.4 3,-1.8 83,-0.1 4,-0.3 -0.400 64.7 168.1-157.6 70.5 14.7 6.5 33.0 12 12 A P T 3 S+ 0 0 75 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.617 80.3 53.8 -63.0 -12.7 14.8 8.6 29.8 13 13 A N T 3> S+ 0 0 98 1,-0.1 4,-2.2 -6,-0.1 5,-0.2 0.284 73.6 103.5-106.5 10.9 11.0 8.9 29.8 14 14 A V H <> S+ 0 0 7 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.930 82.4 49.1 -58.2 -47.1 10.5 10.3 33.3 15 15 A S H > S+ 0 0 41 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.855 111.6 50.8 -60.3 -36.5 9.9 13.9 32.1 16 16 A N H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 109.1 49.1 -68.4 -43.3 7.3 12.5 29.6 17 17 A I H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 112.2 49.0 -63.1 -44.2 5.4 10.5 32.1 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.914 111.3 50.1 -61.5 -45.8 5.2 13.5 34.5 19 19 A R H X S+ 0 0 112 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.954 110.3 48.3 -59.3 -53.2 4.0 15.8 31.7 20 20 A D H X S+ 0 0 85 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.869 109.9 53.7 -56.9 -38.1 1.3 13.4 30.6 21 21 A T H X S+ 0 0 11 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.915 113.0 42.7 -63.2 -43.2 0.1 13.0 34.2 22 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.913 111.1 54.5 -70.0 -42.8 -0.1 16.8 34.6 23 23 A V H X S+ 0 0 46 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.908 111.4 46.0 -57.2 -43.3 -1.8 17.3 31.2 24 24 A N H >X S+ 0 0 81 -4,-2.2 3,-0.9 -5,-0.2 4,-0.5 0.923 113.2 48.4 -66.4 -45.4 -4.5 14.8 32.1 25 25 A E H >X S+ 0 0 31 -4,-2.0 4,-2.5 1,-0.2 3,-1.5 0.880 101.3 64.7 -63.4 -38.5 -5.1 16.3 35.5 26 26 A L H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 91.9 65.4 -57.5 -23.9 -5.3 19.8 34.2 27 27 A R H << S+ 0 0 181 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.817 116.3 25.8 -70.3 -29.8 -8.4 18.9 32.2 28 28 A S H << S+ 0 0 93 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.621 137.5 30.3-104.9 -20.0 -10.4 18.3 35.5 29 29 A D >< - 0 0 26 -4,-2.5 3,-1.5 -5,-0.1 4,-0.3 -0.767 58.8-178.4-143.2 92.6 -8.3 20.6 37.6 30 30 A P T 3 S+ 0 0 89 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.527 83.7 63.0 -68.3 -4.6 -6.8 23.6 35.9 31 31 A R T 3> S+ 0 0 55 1,-0.1 4,-2.3 2,-0.1 3,-0.4 0.583 75.6 90.2 -95.1 -13.3 -5.2 24.7 39.2 32 32 A I H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.833 81.0 57.0 -54.1 -39.1 -3.0 21.6 39.5 33 33 A A H > S+ 0 0 4 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.924 111.0 43.4 -60.5 -44.9 -0.0 23.1 37.7 34 34 A A H > S+ 0 0 13 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.914 112.8 53.1 -65.9 -42.3 0.1 26.0 40.1 35 35 A S H X S+ 0 0 9 -4,-2.3 4,-1.5 1,-0.2 40,-0.3 0.886 108.8 49.4 -60.0 -41.7 -0.4 23.7 43.1 36 36 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.889 107.4 52.9 -66.7 -42.7 2.5 21.5 42.0 37 37 A L H X S+ 0 0 14 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.951 109.5 50.9 -58.6 -45.7 4.9 24.3 41.6 38 38 A R H X S+ 0 0 85 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.840 104.6 56.7 -61.3 -35.0 4.1 25.5 45.1 39 39 A L H X S+ 0 0 2 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.908 107.0 48.9 -63.4 -40.3 4.7 22.0 46.5 40 40 A H H X S+ 0 0 2 -4,-1.8 4,-2.6 -3,-0.3 -1,-0.2 0.895 111.6 50.5 -64.4 -40.1 8.3 22.1 45.1 41 41 A F H X S+ 0 0 46 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.957 112.0 45.6 -61.9 -52.8 8.8 25.5 46.6 42 42 A H H < S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.729 112.5 53.5 -65.4 -21.2 7.5 24.4 50.0 43 43 A D H >< S+ 0 0 0 -4,-1.4 3,-1.5 -5,-0.2 7,-0.3 0.961 109.6 45.6 -76.1 -50.7 9.7 21.3 49.7 44 44 A b H 3X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.3 5,-0.2 0.730 105.2 60.6 -63.0 -27.6 12.9 23.2 49.0 45 45 A F T 3< S+ 0 0 1 -4,-1.7 2,-0.4 1,-0.2 -1,-0.3 0.406 99.6 62.4 -82.9 2.5 12.5 25.8 51.7 46 46 A V T <4 S- 0 0 0 -3,-1.5 4,-0.3 2,-0.3 6,-0.2 -0.851 135.2 -33.4-134.0 97.1 12.5 23.1 54.4 47 47 A N T 4 S- 0 0 60 -2,-0.4 -2,-0.1 86,-0.1 -3,-0.1 0.641 113.2 -76.1 67.3 16.1 15.7 21.2 54.7 48 48 A G S < S- 0 0 2 -4,-0.6 2,-2.0 -5,-0.2 4,-0.4 -0.173 78.6 -38.0 88.2 174.5 16.1 21.5 50.9 49 49 A b S S+ 0 0 0 238,-1.1 241,-0.3 235,-0.2 -5,-0.2 -0.534 86.0 127.9 -78.1 83.3 14.4 19.8 48.0 50 50 A D S S- 0 0 0 -2,-2.0 76,-2.5 -7,-0.3 48,-0.2 0.139 78.6-111.2-124.5 15.4 14.2 16.3 49.7 51 51 A A S > S+ 0 0 0 74,-0.2 3,-0.9 47,-0.2 4,-0.4 0.715 74.7 137.4 59.3 21.1 10.5 15.5 49.3 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.3 1,-0.2 12,-0.4 0.857 64.3 62.6 -64.5 -31.0 10.2 15.8 53.0 53 53 A I G 3 S+ 0 0 0 1,-0.3 -1,-0.2 -7,-0.1 12,-0.1 0.752 95.0 60.2 -65.6 -24.0 7.0 17.7 52.4 54 54 A L G < S+ 0 0 5 -3,-0.9 -1,-0.3 10,-0.1 2,-0.2 0.626 82.0 106.8 -80.5 -12.2 5.4 14.6 50.8 55 55 A L < - 0 0 1 -3,-1.3 10,-0.4 -4,-0.4 9,-0.4 -0.453 61.2-143.1 -72.4 135.9 5.8 12.5 54.0 56 56 A D - 0 0 46 246,-2.8 73,-0.1 -2,-0.2 -1,-0.1 -0.378 38.2 -64.5 -89.2 173.9 2.7 11.7 56.0 57 57 A N + 0 0 85 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.176 49.2 178.7 -59.2 146.7 2.5 11.5 59.8 58 58 A T - 0 0 49 3,-2.0 3,-0.1 -3,-0.1 5,-0.1 -0.921 44.0-108.3-140.7 163.4 4.3 8.9 61.8 59 59 A T S S+ 0 0 150 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.655 119.5 48.9 -70.3 -11.4 4.4 8.3 65.6 60 60 A S S S+ 0 0 99 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.773 121.3 16.1 -97.8 -31.1 8.0 9.6 65.5 61 61 A F S S- 0 0 33 -3,-0.1 -3,-2.0 69,-0.0 -1,-0.3 -0.997 72.9-119.9-145.0 148.1 7.6 12.8 63.5 62 62 A R - 0 0 111 -2,-0.3 69,-0.6 -5,-0.2 2,-0.1 -0.580 34.9-107.7 -85.7 149.3 4.8 15.1 62.4 63 63 A T > - 0 0 6 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.456 14.8-131.7 -75.0 145.6 4.0 15.8 58.7 64 64 A E G > S+ 0 0 0 -12,-0.4 3,-2.1 -9,-0.4 6,-0.3 0.639 98.3 84.8 -70.0 -13.5 4.9 19.2 57.2 65 65 A K G 3 S+ 0 0 29 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.705 84.6 56.1 -62.2 -19.1 1.4 19.1 55.8 66 66 A D G < S+ 0 0 94 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.2 0.302 81.2 118.5 -95.9 9.2 0.1 20.4 59.1 67 67 A A S X> S- 0 0 0 -3,-2.1 4,-3.6 1,-0.1 3,-1.6 -0.416 80.7-112.6 -72.0 150.9 2.4 23.5 59.0 68 68 A F T 34 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.835 119.8 52.8 -54.2 -31.7 0.6 26.9 58.9 69 69 A G T 34 S+ 0 0 20 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.685 122.3 26.6 -78.6 -17.7 1.9 27.2 55.3 70 70 A N T X> S+ 0 0 3 -3,-1.6 4,-2.0 -6,-0.3 3,-1.8 0.719 88.7 108.0-112.9 -34.9 0.6 23.9 54.1 71 71 A A T 3< S- 0 0 39 -4,-3.6 -5,-0.1 1,-0.3 -6,-0.0 -0.236 104.4 -9.7 -52.3 129.2 -2.4 23.0 56.3 72 72 A N T 34 S+ 0 0 126 -7,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.885 137.7 65.4 45.4 44.4 -5.7 23.4 54.4 73 73 A S T <4 S+ 0 0 20 -3,-1.8 -2,-0.2 1,-0.5 -1,-0.2 0.266 73.8 75.6-151.6 -67.3 -3.6 25.0 51.6 74 74 A A < + 0 0 17 -4,-2.0 -1,-0.5 -9,-0.2 2,-0.3 -0.283 62.3 165.5 -58.3 145.6 -1.0 22.8 50.0 75 75 A R + 0 0 74 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.952 35.1 72.4-155.9 171.7 -2.7 20.4 47.5 76 76 A G >> + 0 0 10 -2,-0.3 4,-1.6 -37,-0.0 3,-0.8 0.407 53.0 132.8 97.0 -1.2 -2.0 18.0 44.6 77 77 A F H 3> S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.835 71.3 53.4 -52.4 -39.1 -0.4 15.2 46.7 78 78 A P H 3> S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.870 105.7 55.0 -67.0 -31.5 -2.5 12.5 45.1 79 79 A V H <> S+ 0 0 6 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.882 105.3 52.2 -66.9 -37.1 -1.4 13.7 41.7 80 80 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.888 107.9 51.9 -65.9 -38.2 2.2 13.3 42.7 81 81 A D H X S+ 0 0 38 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.880 107.7 53.4 -64.2 -38.3 1.5 9.7 43.8 82 82 A R H X S+ 0 0 119 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.930 112.0 41.7 -64.1 -48.0 -0.1 9.0 40.5 83 83 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.849 114.6 54.1 -69.6 -30.8 2.9 10.2 38.4 84 84 A K H X S+ 0 0 5 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.948 107.9 48.2 -66.0 -48.0 5.2 8.4 41.0 85 85 A A H X S+ 0 0 61 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.897 113.0 49.8 -58.4 -40.0 3.4 5.1 40.5 86 86 A A H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.903 112.2 46.2 -66.1 -42.4 3.6 5.6 36.8 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 -2,-0.2 0.908 110.0 53.9 -67.5 -40.6 7.4 6.3 36.9 88 88 A E H < S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 109.2 49.8 -63.0 -29.5 8.0 3.4 39.3 89 89 A S H < S+ 0 0 103 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.909 115.5 41.7 -74.7 -41.7 6.3 1.1 36.7 90 90 A A H < S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.860 137.9 11.0 -72.5 -38.9 8.4 2.5 33.9 91 91 A a S >X S- 0 0 7 -4,-3.5 3,-1.2 -5,-0.2 4,-0.6 -0.674 84.4-141.8-145.9 88.6 11.6 2.5 35.9 92 92 A P T 34 S- 0 0 68 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.139 78.3 -7.7 -51.6 134.9 11.5 0.7 39.3 93 93 A R T 34 S+ 0 0 179 1,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.789 108.2 103.6 47.2 40.0 13.3 2.2 42.2 94 94 A T T <4 + 0 0 32 -3,-1.2 2,-0.5 1,-0.2 -1,-0.1 0.809 59.6 58.0-113.3 -54.4 15.0 4.8 40.0 95 95 A V S < S- 0 0 0 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.729 73.0-137.7 -90.6 123.7 13.5 8.3 40.3 96 96 A S > - 0 0 0 -2,-0.5 4,-2.9 27,-0.3 5,-0.1 -0.372 18.4-122.1 -73.4 155.1 13.4 9.9 43.7 97 97 A c H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.856 113.5 57.6 -65.1 -35.0 10.3 11.8 44.9 98 98 A A H > S+ 0 0 0 2,-0.2 4,-1.1 -48,-0.2 -1,-0.2 0.905 112.4 39.3 -62.5 -43.2 12.5 14.9 45.4 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.7 2,-0.2 5,-0.3 0.899 113.3 56.2 -72.2 -42.0 13.6 14.8 41.7 100 100 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.928 108.7 46.8 -55.0 -46.8 10.1 13.8 40.6 101 101 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.801 110.1 54.0 -66.4 -30.3 8.6 16.9 42.3 102 102 A T H X S+ 0 0 3 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.946 112.0 43.0 -69.1 -48.0 11.3 19.1 40.7 103 103 A I H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.896 111.7 55.7 -63.4 -40.3 10.5 17.8 37.2 104 104 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.843 108.4 48.1 -61.6 -34.3 6.8 18.1 38.0 105 105 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.879 112.5 47.6 -73.9 -40.0 7.2 21.8 38.9 106 106 A Q H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.923 113.9 47.1 -67.3 -43.2 9.2 22.5 35.8 107 107 A Q H X S+ 0 0 17 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.870 109.3 54.7 -66.1 -36.8 6.7 20.8 33.6 108 108 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.2 6,-0.2 0.930 108.6 48.5 -61.6 -45.4 3.8 22.5 35.3 109 109 A V H <>S+ 0 0 0 -4,-2.0 5,-3.0 1,-0.2 120,-0.2 0.918 114.2 45.8 -60.6 -45.0 5.4 25.9 34.6 110 110 A T H ><5S+ 0 0 38 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.908 110.3 52.7 -65.6 -42.8 5.9 25.0 31.0 111 111 A L H 3<5S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.0 56.9 -63.8 -27.3 2.4 23.6 30.6 112 112 A A T 3<5S- 0 0 15 -4,-1.6 117,-2.6 -5,-0.2 -1,-0.3 0.361 133.7 -90.9 -84.0 4.6 1.1 26.9 31.9 113 113 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.487 87.0 131.5 99.3 5.6 2.9 28.7 29.1 114 114 A G < - 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0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.930 63.1-169.6-115.4 110.3 -3.0 37.5 38.8 223 223 A L S S+ 0 0 62 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.693 88.2 53.6 -69.9 -18.3 -6.1 39.5 37.7 224 224 A R S S+ 0 0 92 1,-0.2 -1,-0.1 8,-0.1 -53,-0.0 0.975 130.1 2.5 -79.4 -65.4 -4.7 39.6 34.2 225 225 A T > - 0 0 24 3,-0.1 3,-1.0 -54,-0.1 -1,-0.2 -0.704 68.8-176.8-128.1 80.9 -4.0 36.0 33.3 226 226 A P T 3 S+ 0 0 39 0, 0.0 -53,-1.0 0, 0.0 -5,-0.3 0.683 84.2 24.6 -46.8 -32.5 -5.1 33.8 36.2 227 227 A T T 3 S+ 0 0 89 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.373 102.7 91.8-120.5 3.0 -3.9 30.5 34.8 228 228 A I S < S- 0 0 83 -3,-1.0 2,-0.9 -57,-0.3 -115,-0.2 -0.872 70.7-133.4-105.1 129.6 -1.2 31.6 32.4 229 229 A F + 0 0 1 -117,-2.6 2,-0.3 -2,-0.5 -57,-0.1 -0.695 56.7 121.6 -81.1 107.9 2.4 31.7 33.6 230 230 A D S > S- 0 0 18 -2,-0.9 3,-0.8 -62,-0.2 4,-0.1 -0.893 76.1 -88.9-153.4-178.8 3.7 35.0 32.3 231 231 A N T >> S+ 0 0 12 -2,-0.3 3,-1.4 1,-0.2 4,-0.9 0.360 93.1 101.2 -83.0 7.8 5.2 38.3 33.4 232 232 A K H 3> + 0 0 75 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.783 67.2 73.1 -62.9 -25.6 1.8 40.0 33.9 233 233 A Y H <> S+ 0 0 2 -3,-0.8 4,-1.2 1,-0.2 -1,-0.3 0.861 99.1 46.4 -54.7 -37.0 2.2 39.4 37.6 234 234 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.797 104.9 58.1 -78.4 -30.4 4.8 42.2 37.6 235 235 A V H X S+ 0 0 33 -4,-0.9 4,-0.9 1,-0.2 -2,-0.2 0.896 105.2 53.6 -64.9 -37.6 2.7 44.6 35.5 236 236 A N H ><>S+ 0 0 1 -4,-2.1 5,-3.7 1,-0.2 3,-0.7 0.896 105.1 53.1 -61.8 -43.2 0.1 44.3 38.3 237 237 A L H ><5S+ 0 0 0 -4,-1.2 3,-2.0 4,-0.3 5,-0.2 0.893 103.5 56.4 -59.9 -41.5 2.6 45.2 40.9 238 238 A E H 3<5S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.772 110.8 45.4 -61.8 -25.8 3.5 48.4 39.0 239 239 A E T <<5S- 0 0 73 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.211 121.5-109.4-101.2 13.4 -0.2 49.3 39.2 240 240 A Q T < 5S+ 0 0 77 -3,-2.0 -42,-2.8 -43,-0.1 -3,-0.2 0.842 83.8 126.3 61.8 35.4 -0.3 48.4 42.9 241 241 A K < + 0 0 46 -5,-3.7 -18,-0.3 -44,-0.2 -4,-0.3 0.000 21.9 136.6-112.4 27.7 -2.5 45.4 42.0 242 242 A G - 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0 0 37 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 -0.957 51.2-164.4-138.7 123.1 10.4 41.8 29.1 270 270 A T H > S+ 0 0 63 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.907 99.2 52.9 -64.1 -41.3 9.1 38.2 29.1 271 271 A Q H > S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 108.7 49.4 -61.5 -41.6 12.5 36.9 28.0 272 272 A T H > S+ 0 0 49 -7,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 114.6 44.9 -65.4 -41.0 14.2 38.7 30.9 273 273 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 -7,-0.3 5,-0.2 0.962 112.8 49.8 -67.8 -51.5 11.6 37.3 33.4 274 274 A F H X S+ 0 0 39 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.911 111.0 49.6 -54.2 -46.7 11.7 33.8 32.0 275 275 A N H X S+ 0 0 97 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.926 113.6 45.8 -59.1 -46.0 15.6 33.7 32.1 276 276 A A H X S+ 0 0 20 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.860 111.8 52.1 -66.1 -35.5 15.6 35.0 35.7 277 277 A F H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.913 111.0 46.7 -66.9 -43.8 12.9 32.5 36.8 278 278 A V H X S+ 0 0 29 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.939 115.1 46.9 -63.1 -46.2 14.8 29.6 35.3 279 279 A E H X S+ 0 0 112 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.925 116.5 43.3 -62.1 -45.4 18.0 30.7 37.0 280 280 A A H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.889 111.7 55.2 -68.0 -39.1 16.2 31.3 40.3 281 281 A M H X S+ 0 0 7 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.909 109.2 46.2 -60.2 -43.9 14.3 28.0 40.0 282 282 A D H < S+ 0 0 37 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.809 111.1 52.9 -70.6 -29.2 17.5 26.0 39.6 283 283 A R H >< S+ 0 0 64 -4,-1.4 3,-1.1 -5,-0.2 -2,-0.2 0.922 111.7 45.4 -70.3 -43.4 19.1 27.9 42.5 284 284 A M H >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.3 -235,-0.2 0.871 109.8 56.0 -65.7 -35.1 16.2 27.0 44.7 285 285 A G T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.585 102.0 58.6 -72.4 -9.2 16.3 23.5 43.4 286 286 A N T < S+ 0 0 78 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.3 0.276 73.2 129.4-102.1 8.3 20.0 23.3 44.5 287 287 A I S < S- 0 0 15 -3,-1.4 -238,-1.1 1,-0.2 -131,-0.1 -0.541 90.2 -42.4 -70.7 120.2 19.2 24.0 48.2 288 288 A T S S- 0 0 89 -2,-0.4 -1,-0.2 -240,-0.2 2,-0.1 0.733 81.1-173.1 24.1 62.1 21.0 21.4 50.4 289 289 A P - 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