==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAR-06 2CIY . COMPND 2 MOLECULE: CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDARIOMYCES FUMAGO; . AUTHOR K.KUHNEL,W.BLANKENFELDT,J.TERNER,I.SCHLICHTING . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13094.0 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 . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 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 2 0, 0.0 297,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 163.0 7.4 15.9 19.3 2 1 A E > - 0 0 89 14,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.311 360.0-121.9 -51.6 132.9 8.0 13.4 22.2 3 2 A P G > S+ 0 0 89 0, 0.0 3,-0.9 0, 0.0 12,-0.2 0.869 110.2 51.8 -52.8 -38.8 5.0 11.0 22.0 4 3 A G G 3 S+ 0 0 80 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.602 90.3 80.4 -74.5 -8.8 3.9 11.7 25.6 5 4 A S G < S- 0 0 46 -3,-2.0 -1,-0.2 1,-0.1 -3,-0.1 0.746 81.8-148.4 -68.7 -26.5 3.9 15.5 25.0 6 5 A G X + 0 0 41 -3,-0.9 3,-1.0 -4,-0.4 -1,-0.1 0.581 52.6 137.0 63.3 12.3 0.5 15.5 23.3 7 6 A I T 3 S+ 0 0 57 -5,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.878 73.2 44.3 -56.6 -38.5 1.7 18.4 21.2 8 7 A G T >> S+ 0 0 1 4,-0.1 4,-2.5 -5,-0.1 3,-1.7 0.647 93.1 157.0 -77.6 -15.4 0.1 16.8 18.1 9 8 A Y T <4 + 0 0 169 -3,-1.0 4,-0.1 1,-0.3 0, 0.0 -0.309 61.1 3.4 -68.5 142.0 -3.2 15.8 19.7 10 9 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.903 134.2 48.8 -95.3 18.8 -5.9 15.2 18.5 11 10 A Y T <4 S+ 0 0 107 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.846 126.0 20.4 -86.5 -39.2 -4.6 15.7 14.9 12 11 A D < + 0 0 9 -4,-2.5 -1,-0.3 -6,-0.1 3,-0.3 -0.943 65.4 178.4-131.6 110.0 -1.5 13.5 15.2 13 12 A N S S+ 0 0 99 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.258 74.3 52.1 -94.7 10.8 -1.8 11.0 18.0 14 13 A N S S+ 0 0 123 46,-0.2 -1,-0.2 -6,-0.1 -10,-0.1 -0.388 72.8 165.5-146.1 61.0 1.6 9.3 17.4 15 14 A T - 0 0 5 -3,-0.3 -9,-0.1 -12,-0.2 -10,-0.1 -0.320 20.5-156.0 -81.0 162.5 4.4 11.9 17.2 16 15 A L - 0 0 77 -14,-0.2 -14,-0.2 -13,-0.1 25,-0.1 -0.949 29.8 -97.3-133.8 151.8 8.1 11.3 17.3 17 16 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.264 35.1-101.5 -73.9 156.7 10.7 13.9 18.4 18 17 A Y - 0 0 10 279,-2.3 2,-0.4 278,-0.2 21,-0.2 -0.589 38.3-176.4 -65.8 131.8 12.8 16.2 16.2 19 18 A V - 0 0 78 19,-2.2 21,-0.1 -2,-0.3 3,-0.1 -0.983 26.2-122.5-132.8 122.7 16.4 14.9 15.8 20 19 A A - 0 0 37 -2,-0.4 2,-0.2 275,-0.2 269,-0.1 -0.290 33.2-104.0 -61.1 145.4 18.9 17.0 13.8 21 20 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.546 34.4-137.0 -69.9 136.9 20.5 15.3 10.8 22 21 A G > - 0 0 25 -2,-0.2 3,-1.8 -3,-0.1 -3,-0.0 -0.425 32.4 -91.1 -84.2 167.9 24.1 14.3 11.4 23 22 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 265,-0.0 0.726 126.1 45.8 -54.0 -28.2 27.0 14.7 8.9 24 23 A T T 3 S+ 0 0 109 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.533 89.8 106.0 -94.5 -9.0 26.4 11.3 7.2 25 24 A D S < S- 0 0 26 -3,-1.8 2,-0.5 262,-0.1 21,-0.2 -0.424 70.3-124.6 -70.0 146.4 22.6 11.6 7.0 26 25 A S - 0 0 1 19,-2.9 2,-0.3 -2,-0.1 -1,-0.1 -0.800 30.8-177.6 -91.7 127.9 21.0 12.3 3.6 27 26 A R - 0 0 0 -2,-0.5 71,-0.1 68,-0.1 103,-0.1 -0.878 14.5-132.7-124.3 163.0 18.7 15.3 3.2 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.410 25.9-114.3-101.6 172.2 16.7 16.7 0.3 29 28 A P S S+ 0 0 27 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.305 94.6 95.4 -82.8 7.1 16.1 20.1 -1.4 30 29 A C > - 0 0 39 1,-0.1 4,-2.3 65,-0.1 -2,-0.3 -0.887 64.8-157.0-107.0 122.2 12.5 19.7 -0.0 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.791 96.3 53.4 -67.8 -25.0 11.5 21.3 3.3 32 31 A A H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.966 110.5 43.6 -72.3 -52.6 8.7 18.7 3.7 33 32 A L H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 113.5 53.2 -58.6 -40.0 10.8 15.6 3.2 34 33 A N H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.917 109.0 48.2 -64.4 -41.7 13.5 17.1 5.5 35 34 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 6,-0.2 0.915 112.5 49.2 -62.1 -44.3 11.0 17.7 8.3 36 35 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-0.8 0.935 113.7 45.6 -59.3 -47.9 9.6 14.1 7.9 37 36 A A H ><5S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.881 106.7 58.6 -63.8 -39.8 13.1 12.6 8.0 38 37 A N H 3<5S+ 0 0 1 -4,-2.6 -19,-2.2 1,-0.3 -1,-0.2 0.784 111.8 42.6 -61.7 -27.5 14.1 14.8 11.0 39 38 A H T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.409 114.0-118.0 -95.6 -1.7 11.2 13.2 12.9 40 39 A G T < 5S+ 0 0 35 -3,-1.3 -3,-0.2 -4,-0.3 4,-0.2 0.657 78.4 127.6 70.4 17.0 11.9 9.7 11.6 41 40 A Y S - 0 0 43 0, 0.0 3,-2.0 0, 0.0 -3,-0.1 -0.125 42.6-137.0 -50.1 132.9 14.2 7.1 7.8 44 43 A H T 3 S+ 0 0 50 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.1 0.839 106.2 56.2 -58.6 -32.4 16.3 9.6 9.8 45 44 A D T 3 S- 0 0 66 -20,-0.1 -19,-2.9 2,-0.1 -1,-0.3 0.574 108.5-127.9 -76.2 -6.1 19.3 8.7 7.6 46 45 A G < + 0 0 0 -3,-2.0 49,-1.5 1,-0.2 2,-0.3 0.748 66.4 119.5 65.9 28.5 17.3 9.7 4.5 47 46 A R E +A 94 0A 100 47,-0.2 47,-0.3 1,-0.2 -1,-0.2 -0.907 57.0 13.7-126.5 152.6 18.0 6.4 2.7 48 47 A A E S+ 0 0 62 45,-1.5 2,-0.5 44,-0.7 45,-0.2 0.942 73.8 176.2 58.4 64.3 16.1 3.4 1.2 49 48 A I E -A 92 0A 0 43,-1.6 43,-3.1 -3,-0.2 -1,-0.2 -0.878 17.5-149.4-114.1 124.8 12.6 4.9 1.2 50 49 A S > - 0 0 29 -2,-0.5 4,-2.0 41,-0.2 5,-0.2 -0.462 26.4-114.5 -88.5 162.9 9.5 3.2 -0.2 51 50 A R H > S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.926 116.8 50.3 -59.2 -45.0 6.4 4.8 -1.7 52 51 A E H > S+ 0 0 120 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.883 106.1 55.0 -65.8 -35.9 4.1 3.6 1.1 53 52 A T H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 112.5 44.2 -60.0 -45.3 6.5 5.0 3.8 54 53 A L H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.943 113.6 50.1 -63.6 -48.3 6.3 8.4 2.1 55 54 A Q H X S+ 0 0 51 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.937 113.5 44.8 -55.5 -51.1 2.5 8.1 1.7 56 55 A N H X S+ 0 0 68 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.902 112.2 52.3 -61.6 -43.3 1.9 7.2 5.3 57 56 A A H X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.3 5,-0.4 0.929 113.2 43.4 -61.8 -46.6 4.3 9.9 6.6 58 57 A F H X S+ 0 0 18 -4,-2.5 6,-2.0 3,-0.2 4,-1.4 0.918 119.0 43.7 -65.2 -42.8 2.6 12.7 4.6 59 58 A L H X S+ 0 0 66 -4,-2.5 4,-0.8 -5,-0.3 -2,-0.2 0.944 121.6 34.2 -69.6 -50.0 -0.9 11.5 5.5 60 59 A N H < S+ 0 0 87 -4,-3.0 -46,-0.2 -5,-0.2 -1,-0.2 0.733 130.6 28.7 -83.0 -24.1 -0.6 10.8 9.2 61 60 A H H < S+ 0 0 27 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.2 0.560 130.6 28.2-114.7 -14.1 1.9 13.4 10.2 62 61 A M H < S- 0 0 2 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.419 94.3-118.1-126.6 -0.5 1.3 16.4 7.8 63 62 A G < + 0 0 3 -4,-0.8 170,-2.6 -5,-0.3 2,-0.5 0.870 68.1 137.6 63.5 36.7 -2.3 16.2 6.7 64 63 A I B -b 233 0B 10 -6,-2.0 -1,-0.2 168,-0.3 -2,-0.1 -0.960 46.4-139.0-118.6 113.6 -1.3 15.6 3.1 65 64 A A >> - 0 0 4 168,-2.5 3,-1.2 -2,-0.5 4,-0.6 -0.197 24.8-105.7 -70.7 163.7 -3.4 13.0 1.2 66 65 A N G >4 S+ 0 0 69 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.849 116.5 63.7 -56.9 -38.0 -1.9 10.4 -1.2 67 66 A S G >4 S+ 0 0 28 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.839 94.7 61.7 -56.3 -34.0 -3.3 12.3 -4.2 68 67 A V G <4 S+ 0 0 7 -3,-1.2 4,-0.3 165,-0.3 -1,-0.2 0.832 111.6 35.4 -63.5 -33.1 -1.1 15.3 -3.4 69 68 A I G S+ 0 0 137 -3,-0.9 4,-2.0 -4,-0.4 -1,-0.1 0.956 90.3 35.2 -59.6 -53.7 1.2 11.0 -6.7 71 70 A L H > S+ 0 0 58 -4,-0.4 4,-3.1 1,-0.2 5,-0.2 0.880 114.7 58.2 -65.6 -39.6 3.2 12.8 -9.4 72 71 A A H > S+ 0 0 24 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.913 106.9 48.3 -59.4 -42.0 6.0 13.7 -6.9 73 72 A L H X S+ 0 0 16 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.949 111.5 49.6 -61.5 -50.9 6.5 10.0 -6.2 74 73 A T H X S+ 0 0 62 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.937 114.4 45.2 -50.0 -51.7 6.6 9.2 -9.9 75 74 A N H X S+ 0 0 6 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.848 107.6 56.8 -67.3 -35.5 9.2 12.0 -10.5 76 75 A A H X S+ 0 0 8 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.932 111.2 44.4 -58.0 -46.7 11.3 11.0 -7.5 77 76 A F H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 11,-0.3 0.864 110.3 53.8 -71.8 -33.7 11.7 7.5 -8.9 78 77 A V H X S+ 0 0 41 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.937 112.2 46.1 -57.7 -47.5 12.4 8.8 -12.5 79 78 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.898 108.5 56.1 -66.2 -38.8 15.2 11.0 -11.0 80 79 A a H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-0.4 0.932 110.1 44.5 -58.5 -46.1 16.5 8.1 -8.9 81 80 A E H X S+ 0 0 92 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.900 114.2 50.2 -66.2 -41.4 17.0 5.9 -12.0 82 81 A Y H < S+ 0 0 24 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.940 116.3 40.5 -60.0 -49.0 18.5 8.8 -14.0 83 82 A V H < S+ 0 0 32 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.921 123.6 36.3 -68.3 -47.4 21.0 9.7 -11.3 84 83 A T H < S- 0 0 61 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.701 101.7-126.4 -83.1 -23.4 22.0 6.1 -10.2 85 84 A G S < S+ 0 0 64 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.440 79.7 72.0 89.0 1.2 21.8 4.6 -13.7 86 85 A S S S- 0 0 74 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.988 94.0 -81.9-145.3 156.0 19.5 1.8 -12.8 87 86 A D - 0 0 114 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.299 31.6-154.6 -53.7 130.4 15.8 1.3 -11.8 88 87 A a > - 0 0 15 -11,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.388 19.3-163.4 -92.7 1.6 15.3 2.1 -8.1 89 88 A G T 3 - 0 0 39 1,-0.2 -1,-0.3 -12,-0.1 -8,-0.1 -0.297 64.1 -31.8 55.7-121.3 12.2 -0.2 -7.7 90 89 A D T 3 S+ 0 0 83 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.164 122.2 85.0-121.8 36.9 10.4 0.7 -4.6 91 90 A S S < S- 0 0 56 -3,-2.3 2,-0.3 -41,-0.1 -41,-0.2 -0.795 70.5-147.0-137.5 90.1 13.5 1.8 -2.5 92 91 A L E -A 49 0A 2 -43,-3.1 -43,-1.6 -2,-0.3 -44,-0.7 -0.442 17.2-137.7 -57.1 119.0 14.4 5.5 -3.2 93 92 A V E - 0 0 69 -2,-0.3 -45,-1.5 -45,-0.2 2,-0.3 0.904 66.2 -35.0 -54.7 -50.2 18.2 5.3 -2.8 94 93 A N E -A 47 0A 36 -47,-0.3 -47,-0.2 -46,-0.1 4,-0.1 -0.958 47.7-113.1-160.5 175.2 18.5 8.6 -0.8 95 94 A L S > S+ 0 0 0 -49,-1.5 3,-1.5 -2,-0.3 4,-0.2 0.778 104.7 69.8 -81.5 -31.3 17.0 12.1 -0.5 96 95 A T G > S+ 0 0 25 1,-0.3 3,-2.4 -50,-0.3 -1,-0.1 0.858 87.5 63.3 -60.6 -39.2 20.2 13.9 -1.7 97 96 A L G > S+ 0 0 3 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.705 85.1 76.5 -61.9 -19.0 19.8 12.7 -5.3 98 97 A L G < S+ 0 0 12 -3,-1.5 7,-0.7 1,-0.3 -1,-0.3 0.666 81.5 69.9 -65.9 -15.1 16.6 14.6 -5.5 99 98 A A G < + 0 0 1 -3,-2.4 -1,-0.3 -4,-0.2 184,-0.2 0.235 65.0 134.9 -85.5 13.7 18.8 17.8 -5.8 100 99 A E < > - 0 0 0 -3,-1.7 5,-0.6 182,-0.1 3,-0.4 -0.490 60.7-118.2 -57.7 119.1 19.9 16.7 -9.3 101 100 A P T 5S+ 0 0 1 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.204 85.1 18.9 -74.5 163.9 19.6 20.0 -11.2 102 101 A H T 5S+ 0 0 60 1,-0.2 4,-0.2 3,-0.1 2,-0.1 0.875 116.0 73.4 48.0 46.8 17.3 20.8 -14.2 103 102 A A T 5S- 0 0 8 2,-2.5 -1,-0.2 -3,-0.4 -5,-0.1 -0.053 120.8 -27.0-144.9-112.9 15.1 17.8 -13.2 104 103 A F T 5S+ 0 0 39 -4,-0.3 -5,-0.1 -29,-0.1 -2,-0.1 0.933 132.6 66.9 -78.0 -53.1 12.8 17.7 -10.2 105 104 A E S - 0 0 0 1,-0.1 3,-2.0 -2,-0.1 12,-0.2 -0.522 29.7-109.3 -82.8 152.6 20.6 27.8 -8.0 115 114 A Y T 3 S+ 0 0 5 1,-0.3 11,-2.1 -2,-0.2 -1,-0.1 0.847 120.0 25.0 -47.9 -42.1 23.1 25.1 -9.1 116 115 A K T > S+ 0 0 22 9,-0.2 54,-2.6 54,-0.1 3,-0.9 -0.079 86.7 149.3-116.7 33.8 25.1 27.8 -11.0 117 116 A Q B < S-C 169 0C 17 -3,-2.0 52,-0.3 52,-0.2 48,-0.1 -0.567 77.7 -15.4 -71.5 118.8 24.1 30.9 -9.1 118 117 A G T 3 S+ 0 0 57 50,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.656 89.1 154.8 65.8 20.5 26.8 33.5 -9.1 119 118 A V < - 0 0 20 -3,-0.9 -1,-0.2 49,-0.2 -3,-0.0 -0.626 38.5-150.5 -79.7 140.1 29.6 31.2 -10.2 120 119 A A S S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.749 80.5 51.8 -79.8 -26.9 32.5 32.9 -12.0 121 120 A N S > S- 0 0 106 1,-0.1 3,-1.6 49,-0.0 49,-0.1 -0.934 80.3-128.9-121.3 140.8 33.4 29.9 -14.1 122 121 A S T 3 S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.740 105.4 50.0 -55.6 -35.0 31.1 27.8 -16.4 123 122 A N T 3 S+ 0 0 138 2,-0.0 -1,-0.3 -7,-0.0 2,-0.1 0.546 91.7 98.9 -83.1 -9.7 32.0 24.4 -14.9 124 123 A D < - 0 0 84 -3,-1.6 2,-0.3 -8,-0.1 -5,-0.1 -0.376 48.5-177.7 -80.5 156.9 31.6 25.4 -11.3 125 124 A F - 0 0 72 -2,-0.1 2,-0.2 -9,-0.1 -9,-0.2 -0.965 7.5-154.7-148.6 166.6 28.5 24.6 -9.2 126 125 A I - 0 0 51 -11,-2.1 2,-1.0 -2,-0.3 157,-0.2 -0.734 43.0 -61.4-135.3 178.8 27.2 25.3 -5.7 127 126 A D + 0 0 36 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.551 49.1 163.6 -71.4 100.9 24.9 23.9 -3.0 128 127 A N + 0 0 1 -2,-1.0 -1,-0.2 -29,-0.1 -13,-0.1 0.096 69.0 59.0 -97.4 17.4 21.4 24.0 -4.6 129 128 A R S S+ 0 0 5 -15,-0.1 2,-0.1 2,-0.1 3,-0.1 0.792 81.9 74.6-118.0 -51.6 20.0 21.7 -1.9 130 129 A N S S- 0 0 15 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.402 91.5 -89.5 -71.4 147.9 20.4 23.0 1.7 131 130 A F - 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0 0 56 -54,-2.6 3,-2.6 1,-0.1 4,-0.6 -0.270 63.7 -84.3 -50.5 135.0 25.8 31.8 -14.9 171 170 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.177 116.3 15.7 -51.5 130.2 24.8 32.8 -18.5 172 171 A G T 34 S+ 0 0 85 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.164 105.6 90.3 93.3 -18.2 22.8 30.1 -20.2 173 172 A W T <4 + 0 0 18 -3,-2.6 -66,-0.1 -57,-0.1 -58,-0.1 0.926 57.2 97.5 -73.0 -47.6 22.1 28.1 -17.0 174 173 A F < + 0 0 31 -4,-0.6 2,-0.4 -8,-0.1 -2,-0.1 -0.172 47.3 176.4 -56.8 128.1 18.8 29.7 -15.9 175 174 A T - 0 0 73 83,-0.0 -68,-0.6 2,-0.0 -73,-0.1 -0.971 28.5-125.3-136.6 115.9 15.8 27.7 -17.0 176 175 A E - 0 0 58 -2,-0.4 -68,-0.1 1,-0.1 83,-0.0 -0.339 24.1-176.8 -64.9 141.5 12.3 28.7 -16.0 177 176 A S > + 0 0 20 -70,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.416 20.7 150.8-137.4 57.0 10.3 26.0 -14.2 178 177 A K H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 70.9 55.1 -59.6 -43.9 6.7 27.5 -13.6 179 178 A P H > S+ 0 0 38 0, 0.0 4,-1.2 0, 0.0 89,-0.3 0.949 115.1 36.2 -60.7 -48.0 4.9 24.1 -13.6 180 179 A I H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.954 118.5 51.1 -68.3 -47.0 6.9 22.4 -10.9 181 180 A Q H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.901 109.3 49.9 -55.1 -42.9 7.4 25.6 -8.8 182 181 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.3 -1,-0.2 0.751 103.0 57.2 -84.0 -14.1 3.7 26.5 -8.8 183 182 A V H X S+ 0 0 32 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.3 0.928 109.6 49.3 -64.0 -44.4 2.7 23.0 -7.6 184 183 A E H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 -2,-0.3 0.881 105.2 56.3 -62.1 -37.9 5.1 23.9 -4.7 185 184 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.949 108.5 47.7 -51.7 -50.9 3.2 27.2 -4.4 186 185 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.857 107.5 56.4 -55.8 -39.7 0.0 25.1 -4.0 187 186 A F H X S+ 0 0 54 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.892 105.2 51.6 -62.3 -40.7 1.9 22.9 -1.4 188 187 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.945 111.8 45.6 -63.1 -47.7 2.7 26.0 0.7 189 188 A F H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.903 113.1 53.1 -59.9 -37.9 -1.0 27.1 0.7 190 189 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 119.1 31.2 -64.9 -42.2 -2.0 23.5 1.5 191 190 A L H < S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.914 131.1 24.4 -86.0 -44.4 0.3 23.1 4.5 192 191 A V H < S+ 0 0 0 -4,-2.6 15,-2.5 -5,-0.2 19,-0.2 0.116 79.9 123.1-122.3 23.0 0.5 26.6 6.1 193 192 A S B < S-E 206 0D 0 -4,-1.2 2,-1.3 13,-0.3 13,-0.3 -0.515 76.9 -94.0 -75.4 155.9 -2.6 28.5 5.1 194 193 A D > - 0 0 11 11,-2.9 3,-1.8 1,-0.2 11,-0.1 -0.568 39.7-178.7 -81.9 93.0 -4.5 29.8 8.1 195 194 A F T 3 S+ 0 0 40 -2,-1.3 -1,-0.2 1,-0.3 5,-0.2 0.540 75.4 75.8 -66.1 -8.9 -7.3 27.2 8.8 196 195 A N T 3 S+ 0 0 110 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.535 77.1 88.1 -80.3 -6.8 -8.5 29.5 11.6 197 196 A L S X S- 0 0 55 -3,-1.8 3,-1.7 1,-0.1 8,-0.0 -0.765 85.4-127.3 -92.8 139.5 -10.1 31.9 9.1 198 197 A P T 3 S+ 0 0 142 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.729 106.6 45.3 -62.4 -22.4 -13.7 30.9 8.1 199 198 A D T >> S+ 0 0 67 1,-0.2 4,-3.2 4,-0.1 3,-0.6 0.044 74.2 121.4-108.2 23.0 -13.0 31.0 4.3 200 199 A N T <4 S+ 0 0 8 -3,-1.7 -1,-0.2 1,-0.2 -5,-0.1 0.885 70.7 54.2 -54.9 -44.1 -9.7 29.0 4.4 201 200 A D T 34 S+ 0 0 104 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.847 123.3 26.1 -64.0 -32.6 -10.8 26.2 2.1 202 201 A E T <4 S+ 0 0 170 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.715 136.8 25.4-100.5 -28.3 -11.9 28.6 -0.7 203 202 A N S < S- 0 0 76 -4,-3.2 -2,-0.2 2,-0.0 -1,-0.2 -0.474 81.1-171.2-137.5 62.4 -9.7 31.6 -0.1 204 203 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -53,-0.2 -0.272 6.5-163.7 -67.4 142.0 -6.5 30.4 1.7 205 204 A L - 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