==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-AUG-06 2J18 . COMPND 2 MOLECULE: CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDARIOMYCES FUMAGO; . AUTHOR T.BEITLICH,K.KUHNEL,C.SCHULZE-BRIESE,R.L.SHOEMAN, . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 2 0 1 0 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 X 0 0 1 0, 0.0 297,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 168.6 7.5 15.9 19.3 2 1 A E > - 0 0 87 14,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.314 360.0-122.0 -54.9 133.9 7.9 13.3 22.1 3 2 A P G > S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 12,-0.3 0.883 110.8 49.8 -51.0 -42.7 5.0 10.9 22.0 4 3 A G G 3 S+ 0 0 79 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.621 91.3 79.5 -71.2 -14.4 3.9 11.7 25.5 5 4 A S G < S- 0 0 45 -3,-1.8 -1,-0.2 1,-0.1 -3,-0.1 0.763 82.6-149.2 -64.7 -27.7 4.0 15.4 25.0 6 5 A G X + 0 0 41 -3,-1.0 3,-1.0 -4,-0.5 -1,-0.1 0.593 49.9 139.7 63.0 14.5 0.6 15.3 23.2 7 6 A I T 3 S+ 0 0 56 -5,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.870 72.0 43.0 -55.3 -37.3 1.7 18.3 21.1 8 7 A G T >> S+ 0 0 1 4,-0.2 4,-2.5 -5,-0.1 3,-1.7 0.617 93.0 157.8 -85.1 -10.5 0.1 16.8 17.9 9 8 A Y T <4 + 0 0 168 -3,-1.0 4,-0.1 1,-0.3 0, 0.0 -0.357 60.9 5.6 -69.0 139.9 -3.2 15.7 19.6 10 9 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.917 134.0 48.5 -97.3 19.8 -5.8 15.2 18.4 11 10 A Y T <4 S+ 0 0 107 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.853 126.3 20.7 -85.7 -38.8 -4.5 15.7 14.8 12 11 A D < + 0 0 9 -4,-2.5 -1,-0.3 -6,-0.1 3,-0.3 -0.950 65.2 178.6-133.1 109.7 -1.5 13.5 15.1 13 12 A N S S+ 0 0 100 -2,-0.4 -4,-0.1 -3,-0.2 -1,-0.1 0.249 75.1 51.1 -95.1 10.5 -1.7 10.9 18.0 14 13 A N S S+ 0 0 123 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.412 73.0 166.4-148.2 61.4 1.6 9.3 17.3 15 14 A T - 0 0 6 -3,-0.3 -9,-0.1 -12,-0.3 -10,-0.1 -0.365 20.9-154.0 -83.4 161.9 4.4 11.8 17.1 16 15 A L - 0 0 78 -14,-0.2 -14,-0.2 -2,-0.1 25,-0.1 -0.954 29.1 -99.9-129.2 150.3 8.1 11.3 17.2 17 16 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.229 35.5-100.5 -72.8 158.1 10.7 13.9 18.4 18 17 A Y - 0 0 10 279,-2.4 2,-0.4 278,-0.2 21,-0.2 -0.601 38.6-175.4 -65.1 133.9 12.8 16.1 16.2 19 18 A V - 0 0 77 19,-2.1 21,-0.1 -2,-0.3 3,-0.1 -0.986 26.3-120.7-133.4 123.9 16.4 14.8 15.8 20 19 A A - 0 0 38 -2,-0.4 2,-0.1 275,-0.2 269,-0.1 -0.274 33.5-106.0 -60.5 144.0 19.0 16.9 13.9 21 20 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.515 33.9-135.0 -68.8 143.7 20.5 15.3 10.9 22 21 A G > - 0 0 25 -2,-0.1 3,-1.8 -3,-0.1 -3,-0.0 -0.498 31.5 -92.7 -90.8 168.4 24.1 14.1 11.4 23 22 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 265,-0.0 0.720 125.8 46.2 -55.9 -26.3 27.0 14.7 8.9 24 23 A T T 3 S+ 0 0 108 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.518 89.4 107.2 -95.9 -8.2 26.4 11.3 7.2 25 24 A D < - 0 0 26 -3,-1.8 2,-0.5 262,-0.1 21,-0.2 -0.438 69.6-124.8 -71.9 144.5 22.6 11.6 7.0 26 25 A S - 0 0 2 19,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.801 30.8-178.3 -90.4 127.7 21.0 12.2 3.6 27 26 A R - 0 0 0 -2,-0.5 103,-0.1 68,-0.1 7,-0.0 -0.859 15.3-130.9-125.3 165.5 18.7 15.2 3.2 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.446 25.5-114.7-105.3 171.7 16.7 16.6 0.3 29 28 A P S S+ 0 0 27 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.298 95.3 94.5 -81.3 5.5 16.1 20.0 -1.4 30 29 A C > - 0 0 39 1,-0.1 4,-2.1 65,-0.1 -2,-0.3 -0.888 65.4-156.5-105.9 124.1 12.6 19.6 -0.1 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.812 96.5 53.0 -68.2 -26.8 11.6 21.2 3.3 32 31 A A H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 110.0 44.2 -70.9 -53.6 8.8 18.7 3.7 33 32 A L H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 113.8 53.1 -57.8 -39.3 10.9 15.5 3.1 34 33 A N H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.902 108.5 48.3 -65.3 -41.2 13.5 17.0 5.4 35 34 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.914 112.4 49.5 -62.6 -43.8 11.0 17.6 8.2 36 35 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-0.9 0.924 113.1 45.9 -60.9 -44.2 9.7 14.1 7.9 37 36 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.892 106.6 58.5 -67.7 -39.3 13.2 12.6 8.0 38 37 A N H 3<5S+ 0 0 1 -4,-2.6 -19,-2.1 1,-0.3 -1,-0.2 0.790 111.9 42.8 -60.1 -27.7 14.2 14.7 11.0 39 38 A H T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.463 113.1-118.6 -94.4 -4.6 11.2 13.1 12.8 40 39 A G T < 5S+ 0 0 35 -3,-1.2 -3,-0.2 -4,-0.5 4,-0.2 0.641 79.0 126.4 73.3 16.6 11.9 9.6 11.6 41 40 A Y S - 0 0 44 0, 0.0 3,-2.0 0, 0.0 -3,-0.1 -0.094 43.0-137.4 -46.1 130.7 14.2 7.1 7.7 44 43 A H T 3 S+ 0 0 51 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.806 106.4 55.8 -59.4 -29.1 16.3 9.6 9.7 45 44 A D T 3 S- 0 0 66 2,-0.2 -19,-2.7 -20,-0.1 -1,-0.3 0.560 109.0-127.8 -80.6 -4.6 19.3 8.7 7.5 46 45 A G < + 0 0 0 -3,-2.0 49,-1.4 1,-0.2 2,-0.3 0.758 67.0 120.3 67.7 26.0 17.3 9.7 4.4 47 46 A R E +A 94 0A 97 47,-0.2 47,-0.2 1,-0.2 -1,-0.2 -0.905 57.4 13.5-124.2 151.5 18.0 6.3 2.7 48 47 A A E S+ 0 0 61 45,-1.3 2,-0.5 44,-0.8 45,-0.2 0.937 73.8 176.0 61.8 59.8 16.1 3.4 1.3 49 48 A I E -A 92 0A 0 43,-1.7 43,-3.0 -3,-0.2 -1,-0.2 -0.871 17.4-149.9-109.9 120.1 12.6 4.9 1.3 50 49 A S > - 0 0 28 -2,-0.5 4,-1.9 41,-0.2 5,-0.2 -0.400 26.1-114.6 -82.3 162.0 9.5 3.2 -0.1 51 50 A R H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 116.6 51.0 -59.6 -45.5 6.5 4.8 -1.7 52 51 A E H > S+ 0 0 120 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.891 105.8 55.4 -65.1 -36.4 4.2 3.6 1.1 53 52 A T H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 112.2 43.6 -57.4 -47.8 6.5 5.0 3.8 54 53 A L H X S+ 0 0 7 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.939 113.8 50.8 -62.3 -46.3 6.3 8.4 2.1 55 54 A Q H X S+ 0 0 52 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.938 113.9 43.4 -58.8 -48.4 2.5 8.1 1.6 56 55 A N H X S+ 0 0 63 -4,-3.1 4,-3.1 1,-0.2 5,-0.4 0.890 112.5 53.4 -65.0 -40.2 1.9 7.2 5.3 57 56 A A H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.3 5,-0.4 0.940 113.4 42.0 -63.1 -46.2 4.3 9.8 6.6 58 57 A F H X S+ 0 0 17 -4,-2.7 6,-1.9 3,-0.2 4,-1.5 0.925 119.5 43.9 -67.1 -43.4 2.6 12.6 4.6 59 58 A L H X S+ 0 0 65 -4,-2.5 4,-0.7 -5,-0.3 -2,-0.2 0.936 121.6 35.1 -68.7 -48.0 -0.9 11.5 5.4 60 59 A N H < S+ 0 0 87 -4,-3.1 -46,-0.2 -5,-0.2 -1,-0.2 0.746 130.1 28.3 -83.5 -23.6 -0.5 10.7 9.1 61 60 A H H < S+ 0 0 27 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.562 130.5 27.4-116.9 -12.6 2.0 13.4 10.1 62 61 A M H < S- 0 0 3 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.373 94.9-117.2-130.9 1.6 1.4 16.3 7.8 63 62 A G < + 0 0 3 -4,-0.7 170,-2.9 -5,-0.3 2,-0.5 0.852 68.1 137.3 62.8 36.2 -2.2 16.1 6.7 64 63 A I B -b 233 0B 10 -6,-1.9 -1,-0.2 168,-0.3 -2,-0.1 -0.969 46.6-138.8-118.2 114.0 -1.3 15.6 3.0 65 64 A A >> - 0 0 4 168,-2.5 3,-1.3 -2,-0.5 4,-0.6 -0.223 24.8-104.0 -73.3 163.3 -3.3 12.9 1.2 66 65 A N G >4 S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.845 116.6 63.3 -52.6 -40.4 -1.9 10.4 -1.2 67 66 A S G >4 S+ 0 0 27 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.809 95.1 61.8 -58.5 -32.2 -3.3 12.2 -4.2 68 67 A V G <4 S+ 0 0 7 -3,-1.3 4,-0.3 165,-0.3 -1,-0.3 0.820 111.2 36.2 -63.6 -33.4 -1.0 15.2 -3.4 69 68 A I G S+ 0 0 136 -3,-0.7 4,-2.0 -4,-0.5 -1,-0.1 0.953 90.4 36.0 -57.6 -54.7 1.3 10.9 -6.7 71 70 A L H > S+ 0 0 55 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.898 115.0 57.5 -64.8 -40.3 3.3 12.8 -9.4 72 71 A A H > S+ 0 0 26 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.907 107.4 47.6 -59.6 -41.6 6.0 13.6 -6.9 73 72 A L H X S+ 0 0 15 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.940 111.7 50.3 -63.1 -47.8 6.6 9.9 -6.2 74 73 A T H X S+ 0 0 61 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.947 114.9 43.6 -54.1 -49.5 6.7 9.1 -9.9 75 74 A N H X S+ 0 0 5 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.841 107.8 58.0 -70.4 -34.4 9.2 11.8 -10.5 76 75 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.936 111.2 44.0 -56.3 -46.5 11.3 10.9 -7.4 77 76 A F H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 11,-0.3 0.865 110.2 53.6 -73.2 -33.8 11.8 7.5 -8.8 78 77 A V H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.922 112.8 45.6 -57.2 -46.8 12.4 8.7 -12.4 79 78 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.904 108.8 56.1 -68.0 -38.5 15.2 10.9 -10.9 80 79 A a H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 6,-0.4 0.926 110.5 44.3 -58.0 -45.1 16.5 8.0 -8.8 81 80 A E H X S+ 0 0 87 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.895 114.4 50.5 -66.8 -40.6 16.9 5.9 -12.0 82 81 A Y H < S+ 0 0 22 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.950 116.1 39.9 -61.6 -50.4 18.5 8.8 -13.9 83 82 A V H < S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.908 123.5 37.2 -67.6 -45.5 21.1 9.6 -11.2 84 83 A T H < S- 0 0 60 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.693 101.6-127.1 -83.5 -22.9 22.0 6.1 -10.1 85 84 A G S < S+ 0 0 64 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.1 0.510 79.2 70.9 85.1 5.4 21.9 4.6 -13.6 86 85 A S S S- 0 0 75 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.988 94.3 -79.8-146.7 160.5 19.5 1.7 -12.7 87 86 A D - 0 0 113 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.296 31.1-154.6 -58.0 135.1 15.9 1.2 -11.7 88 87 A a > - 0 0 14 -11,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.439 20.1-162.2 -94.9 2.3 15.4 2.0 -8.0 89 88 A G T 3 - 0 0 38 1,-0.2 -1,-0.3 -12,-0.1 -8,-0.1 -0.335 63.6 -33.4 56.1-124.3 12.4 -0.3 -7.6 90 89 A D T 3 S+ 0 0 85 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.163 122.6 85.2-119.6 37.3 10.4 0.7 -4.5 91 90 A S S < S- 0 0 56 -3,-2.2 2,-0.2 -41,-0.1 -41,-0.2 -0.812 71.9-145.2-137.0 91.5 13.4 1.8 -2.5 92 91 A L E -A 49 0A 2 -43,-3.0 -43,-1.7 -2,-0.3 -44,-0.8 -0.430 16.5-137.6 -58.6 120.4 14.4 5.4 -3.1 93 92 A V E - 0 0 67 -2,-0.2 -45,-1.3 -45,-0.2 2,-0.3 0.916 67.3 -35.6 -55.7 -50.1 18.2 5.3 -2.8 94 93 A N E -A 47 0A 35 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.1 -0.958 47.6-113.5-158.6 175.7 18.5 8.5 -0.9 95 94 A L S > S+ 0 0 0 -49,-1.4 3,-1.4 -2,-0.3 4,-0.2 0.736 104.9 69.4 -80.8 -29.7 17.0 12.0 -0.5 96 95 A T G > S+ 0 0 23 -50,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.862 87.3 64.2 -63.8 -37.2 20.1 13.8 -1.7 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.703 85.3 75.7 -60.5 -19.1 19.8 12.6 -5.3 98 97 A L G < S+ 0 0 11 -3,-1.4 7,-0.6 1,-0.3 -1,-0.3 0.631 81.4 70.5 -68.1 -12.3 16.5 14.6 -5.6 99 98 A A G < + 0 0 2 -3,-2.3 -1,-0.3 -4,-0.2 184,-0.2 0.223 64.8 135.2 -89.0 14.8 18.7 17.7 -5.8 100 99 A E < > - 0 0 0 -3,-1.6 5,-0.7 182,-0.1 3,-0.4 -0.492 60.5-118.1 -57.7 119.9 19.8 16.6 -9.3 101 100 A P T 5S+ 0 0 0 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.191 85.1 17.3 -72.6 162.3 19.6 19.9 -11.2 102 101 A H T 5S+ 0 0 59 1,-0.2 4,-0.2 3,-0.1 2,-0.1 0.875 116.6 73.7 46.9 46.3 17.3 20.7 -14.2 103 102 A A T 5S- 0 0 7 2,-2.4 -1,-0.2 -3,-0.4 -5,-0.1 -0.018 120.9 -27.9-144.1-110.5 15.2 17.7 -13.3 104 103 A F T 5S+ 0 0 36 -4,-0.4 -5,-0.1 -6,-0.1 -2,-0.1 0.918 132.0 67.0 -82.1 -52.3 12.9 17.6 -10.3 105 104 A E S - 0 0 0 1,-0.1 3,-2.1 -2,-0.1 12,-0.2 -0.537 29.3-110.5 -79.5 153.9 20.6 27.7 -8.0 115 114 A Y T 3 S+ 0 0 5 1,-0.3 11,-2.3 -2,-0.2 -1,-0.1 0.838 119.6 23.9 -51.4 -41.1 23.2 25.0 -9.1 116 115 A K T > S+ 0 0 22 9,-0.2 54,-2.5 54,-0.1 3,-1.0 -0.072 88.2 148.2-116.8 34.4 25.2 27.6 -11.0 117 116 A Q B < S-C 169 0C 18 -3,-2.1 52,-0.3 52,-0.2 48,-0.1 -0.560 77.6 -13.1 -72.0 122.9 24.1 30.8 -9.1 118 117 A G T 3 S+ 0 0 60 50,-2.4 2,-0.2 -2,-0.4 -1,-0.2 0.675 90.6 155.7 65.6 20.3 26.8 33.4 -9.0 119 118 A V < - 0 0 18 -3,-1.0 -1,-0.2 49,-0.2 -3,-0.0 -0.587 39.0-150.2 -83.7 141.2 29.6 31.1 -10.2 120 119 A A S S+ 0 0 85 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.815 81.1 48.3 -78.4 -31.5 32.6 32.7 -11.9 121 120 A N S > S- 0 0 108 1,-0.1 3,-1.7 49,-0.0 -1,-0.1 -0.902 80.1-127.7-119.3 143.9 33.4 29.7 -14.1 122 121 A S T 3 S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.776 108.6 51.0 -58.1 -33.9 31.0 27.6 -16.3 123 122 A N T 3 S+ 0 0 142 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.595 90.4 103.3 -79.1 -12.7 32.1 24.3 -14.8 124 123 A D < - 0 0 69 -3,-1.7 2,-0.3 -8,-0.1 -5,-0.1 -0.292 47.3-178.1 -67.8 153.4 31.5 25.4 -11.2 125 124 A F - 0 0 74 -9,-0.1 2,-0.2 157,-0.0 -9,-0.2 -0.986 6.2-160.1-148.1 161.1 28.5 24.4 -9.1 126 125 A I - 0 0 52 -11,-2.3 2,-1.0 -2,-0.3 157,-0.2 -0.672 42.7 -62.3-129.8-177.9 27.2 25.2 -5.6 127 126 A D + 0 0 36 -2,-0.2 -14,-0.6 1,-0.2 155,-0.0 -0.582 49.4 163.1 -74.7 100.3 24.8 23.8 -3.0 128 127 A N + 0 0 0 -2,-1.0 -1,-0.2 -29,-0.1 -13,-0.2 0.070 69.3 58.5 -98.0 16.6 21.4 24.0 -4.6 129 128 A R S S+ 0 0 5 -15,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.787 82.6 73.9-115.9 -50.9 20.0 21.6 -2.0 130 129 A N S S- 0 0 13 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.418 92.0 -88.5 -73.0 149.8 20.4 22.9 1.6 131 130 A F - 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0 0 55 -54,-2.5 3,-2.5 1,-0.1 4,-0.7 -0.235 63.8 -84.6 -49.6 134.7 25.8 31.7 -14.9 171 170 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.232 116.0 15.8 -52.5 131.1 24.8 32.7 -18.5 172 171 A G T 34 S+ 0 0 85 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.116 105.5 90.3 96.0 -20.0 22.9 29.9 -20.2 173 172 A W T <4 + 0 0 17 -3,-2.5 -66,-0.1 -57,-0.1 -7,-0.1 0.943 57.4 97.5 -71.9 -50.0 22.1 28.0 -17.0 174 173 A F < + 0 0 28 -4,-0.7 2,-0.4 -9,-0.2 -2,-0.1 -0.113 46.9 175.4 -53.4 129.9 18.8 29.6 -15.9 175 174 A T - 0 0 71 83,-0.0 -68,-0.6 2,-0.0 -73,-0.1 -0.973 28.3-126.1-138.7 117.1 15.8 27.5 -17.0 176 175 A E - 0 0 55 -2,-0.4 -68,-0.1 1,-0.1 83,-0.0 -0.381 23.3-176.7 -67.4 141.6 12.3 28.5 -16.0 177 176 A S > + 0 0 19 -70,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.435 19.6 152.7-137.5 59.0 10.2 25.9 -14.2 178 177 A K H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 71.1 54.7 -58.9 -43.2 6.8 27.3 -13.6 179 178 A P H > S+ 0 0 37 0, 0.0 4,-1.2 0, 0.0 89,-0.3 0.954 115.5 35.4 -62.4 -48.0 4.9 24.0 -13.6 180 179 A I H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.955 118.8 51.7 -69.5 -47.9 7.0 22.3 -10.8 181 180 A Q H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.904 109.6 48.9 -53.6 -42.6 7.5 25.5 -8.8 182 181 A N H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.3 -1,-0.2 0.751 102.6 58.5 -85.5 -13.4 3.8 26.3 -8.7 183 182 A V H X S+ 0 0 29 -4,-1.2 4,-2.3 -3,-0.4 -1,-0.3 0.935 110.0 48.2 -62.9 -45.5 2.7 22.9 -7.6 184 183 A E H X S+ 0 0 50 -4,-1.9 4,-2.1 2,-0.2 -2,-0.3 0.861 105.5 56.2 -64.5 -35.9 5.1 23.8 -4.7 185 184 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.962 109.6 46.5 -54.6 -49.6 3.4 27.2 -4.4 186 185 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.856 107.5 57.6 -60.4 -36.8 0.1 25.1 -4.0 187 186 A F H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.889 104.4 51.9 -58.8 -42.7 1.9 22.9 -1.5 188 187 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.950 111.7 45.7 -62.0 -46.8 2.7 26.0 0.7 189 188 A F H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.902 112.9 52.0 -59.7 -38.1 -0.9 27.0 0.6 190 189 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 119.6 32.6 -67.5 -39.4 -2.0 23.4 1.4 191 190 A L H < S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.924 132.0 21.0 -86.5 -45.3 0.3 23.1 4.4 192 191 A V H < S+ 0 0 0 -4,-2.7 15,-2.5 -5,-0.2 19,-0.2 0.152 81.2 122.2-123.1 19.6 0.6 26.5 6.0 193 192 A S B < S-E 206 0D 0 -4,-1.3 2,-1.3 13,-0.3 13,-0.3 -0.497 78.4 -94.1 -73.6 158.0 -2.4 28.5 4.9 194 193 A D > + 0 0 10 11,-2.9 3,-1.8 1,-0.2 11,-0.2 -0.572 41.6 179.6 -85.0 93.5 -4.4 29.7 7.9 195 194 A F T 3 S+ 0 0 39 -2,-1.3 -1,-0.2 1,-0.3 5,-0.2 0.529 74.5 75.4 -70.7 -5.8 -7.2 27.2 8.5 196 195 A N T 3 S+ 0 0 110 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.514 77.3 88.7 -83.2 -6.3 -8.4 29.3 11.4 197 196 A L S X S- 0 0 55 -3,-1.8 3,-1.5 8,-0.1 8,-0.0 -0.756 86.5-124.5 -89.3 142.1 -9.9 31.8 9.0 198 197 A P T 3 S+ 0 0 140 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.785 107.3 42.3 -59.1 -32.2 -13.6 31.0 8.0 199 198 A D T 3> S+ 0 0 50 1,-0.2 4,-2.9 4,-0.1 -4,-0.1 -0.095 74.7 126.2-105.5 29.1 -12.9 31.0 4.2 200 199 A N T <4 S+ 0 0 7 -3,-1.5 -1,-0.2 1,-0.2 -5,-0.1 0.910 71.6 49.9 -56.5 -47.1 -9.6 29.1 4.3 201 200 A D T 4 S+ 0 0 115 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.915 121.3 33.6 -62.7 -42.4 -10.6 26.4 1.8 202 201 A E T 4 S+ 0 0 160 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.775 136.8 19.8 -82.3 -29.4 -11.9 28.9 -0.8 203 202 A N S < S- 0 0 65 -4,-2.9 -1,-0.2 2,-0.0 -2,-0.2 -0.397 81.0-167.7-141.0 61.5 -9.5 31.7 -0.1 204 203 A P - 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