==== 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 2CIZ . 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) . 13019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 53.5 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 . 9 3.0 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 . 89 29.8 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 1 1 1 0 1 1 0 1 0 0 1 1 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 0.000 360.0 360.0 360.0 167.6 7.4 15.9 19.2 2 1 A E > - 0 0 87 14,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.299 360.0-120.1 -52.9 138.6 7.9 13.4 22.0 3 2 A P G > S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 12,-0.3 0.863 110.1 49.3 -56.0 -38.1 5.0 10.9 21.9 4 3 A G G 3 S+ 0 0 80 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.558 90.4 82.6 -78.6 -7.8 3.8 11.7 25.4 5 4 A S G < S- 0 0 46 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.1 0.763 81.4-148.5 -66.1 -27.8 3.9 15.5 24.9 6 5 A G X + 0 0 38 -3,-0.8 3,-1.3 -4,-0.4 -1,-0.1 0.552 52.1 136.7 67.7 9.1 0.5 15.5 23.2 7 6 A I T 3 S+ 0 0 57 -5,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.876 73.1 43.9 -58.1 -36.3 1.6 18.4 21.0 8 7 A G T >> S+ 0 0 1 4,-0.1 4,-2.2 -5,-0.1 3,-1.6 0.639 92.8 156.8 -79.6 -12.9 0.1 16.8 17.9 9 8 A Y T <4 + 0 0 167 -3,-1.3 4,-0.1 1,-0.3 0, 0.0 -0.335 60.7 5.0 -70.5 142.6 -3.2 15.8 19.6 10 9 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.919 133.8 47.9 -95.9 18.1 -5.9 15.2 18.3 11 10 A Y T <4 S+ 0 0 106 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.824 125.9 21.9 -85.3 -36.3 -4.6 15.7 14.8 12 11 A D < + 0 0 9 -4,-2.2 -1,-0.3 -6,-0.1 3,-0.3 -0.948 65.3 178.1-134.1 108.6 -1.5 13.5 15.0 13 12 A N S S+ 0 0 98 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.249 74.5 51.1 -95.4 9.6 -1.8 11.0 17.9 14 13 A N S S+ 0 0 125 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.474 73.0 166.5-147.7 65.4 1.6 9.3 17.3 15 14 A T - 0 0 5 -3,-0.3 -10,-0.1 -12,-0.3 -9,-0.1 -0.430 20.3-155.1 -83.5 159.2 4.4 11.9 17.0 16 15 A L - 0 0 76 -14,-0.2 -14,-0.2 -2,-0.1 25,-0.1 -0.943 29.3 -98.3-127.5 151.8 8.1 11.3 17.1 17 16 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.242 34.3-101.8 -70.4 158.3 10.7 13.9 18.2 18 17 A Y - 0 0 10 279,-2.3 2,-0.4 278,-0.2 21,-0.2 -0.621 38.3-177.5 -69.4 133.1 12.8 16.1 16.1 19 18 A V - 0 0 78 19,-2.1 21,-0.1 -2,-0.3 3,-0.1 -0.989 27.1-121.3-133.5 122.8 16.4 14.9 15.7 20 19 A A - 0 0 38 -2,-0.4 2,-0.2 275,-0.2 269,-0.1 -0.280 33.4-103.9 -60.7 146.0 18.9 17.0 13.7 21 20 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.513 33.7-135.3 -69.0 142.2 20.5 15.3 10.7 22 21 A G > - 0 0 26 -2,-0.2 3,-1.8 -3,-0.1 -3,-0.0 -0.425 32.7 -92.6 -88.8 169.1 24.1 14.2 11.2 23 22 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.0 0, 0.0 265,-0.0 0.714 125.2 46.3 -61.4 -22.7 26.8 14.8 8.7 24 23 A T T 3 S+ 0 0 107 262,-0.1 2,-0.2 2,-0.1 21,-0.0 0.466 88.9 107.2 -95.4 -5.0 26.3 11.4 7.0 25 24 A D S < S- 0 0 28 -3,-1.8 2,-0.5 262,-0.1 21,-0.2 -0.496 70.3-124.2 -72.1 145.7 22.5 11.6 6.8 26 25 A S - 0 0 2 19,-2.7 2,-0.3 -2,-0.2 -2,-0.1 -0.779 31.7-178.9 -91.6 127.5 20.9 12.2 3.4 27 26 A R - 0 0 0 -2,-0.5 103,-0.1 68,-0.1 7,-0.0 -0.853 15.3-130.7-124.5 165.2 18.6 15.2 3.0 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.447 25.7-114.2-103.2 172.5 16.6 16.7 0.2 29 28 A P S S+ 0 0 27 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.307 94.7 94.9 -83.5 9.0 16.0 20.0 -1.5 30 29 A C > - 0 0 38 1,-0.1 4,-2.1 65,-0.1 -2,-0.3 -0.888 65.3-155.8-108.7 120.7 12.5 19.7 -0.1 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.779 96.3 52.1 -65.2 -27.5 11.5 21.2 3.2 32 31 A A H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.960 110.1 44.9 -72.5 -52.6 8.7 18.7 3.7 33 32 A L H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.891 113.4 53.4 -57.5 -38.9 10.8 15.6 3.1 34 33 A N H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.907 108.4 47.8 -65.5 -41.0 13.4 17.0 5.4 35 34 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 6,-0.2 0.914 112.2 50.4 -63.1 -42.5 11.0 17.6 8.2 36 35 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 6,-0.9 0.922 113.0 45.8 -60.7 -45.5 9.6 14.1 7.8 37 36 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.878 106.6 58.2 -65.7 -40.5 13.1 12.6 7.9 38 37 A N H 3<5S+ 0 0 1 -4,-2.4 -19,-2.1 1,-0.3 -1,-0.2 0.797 111.9 42.9 -60.5 -26.7 14.1 14.8 10.9 39 38 A H T 3<5S- 0 0 5 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.454 113.4-118.0 -94.0 -3.7 11.2 13.2 12.8 40 39 A G T < 5S+ 0 0 33 -3,-1.2 -3,-0.2 -4,-0.4 4,-0.2 0.651 79.0 126.1 72.3 15.1 11.9 9.6 11.5 41 40 A Y S - 0 0 43 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.134 42.0-137.0 -49.6 133.5 14.1 7.1 7.6 44 43 A H T 3 S+ 0 0 50 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.796 105.9 56.0 -60.5 -29.8 16.2 9.6 9.6 45 44 A D T 3 S- 0 0 67 2,-0.2 -19,-2.7 -20,-0.1 -1,-0.3 0.528 108.4-127.1 -78.6 -4.7 19.2 8.7 7.4 46 45 A G < + 0 0 0 -3,-2.2 49,-1.5 1,-0.2 2,-0.3 0.746 67.6 119.7 66.7 27.3 17.2 9.7 4.3 47 46 A R E +A 94 0A 98 47,-0.2 47,-0.2 1,-0.2 -1,-0.2 -0.906 57.5 13.5-126.8 147.9 17.9 6.4 2.6 48 47 A A E S+ 0 0 60 45,-1.3 2,-0.5 44,-0.9 45,-0.2 0.949 73.3 176.4 63.9 62.6 16.0 3.4 1.2 49 48 A I E -A 92 0A 0 43,-1.7 43,-3.0 -3,-0.2 -1,-0.2 -0.860 17.2-149.5-113.4 124.0 12.5 4.9 1.2 50 49 A S > - 0 0 27 -2,-0.5 4,-1.9 41,-0.2 5,-0.2 -0.453 25.5-115.3 -88.2 160.8 9.4 3.2 -0.2 51 50 A R H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 116.8 50.3 -57.4 -46.1 6.3 4.8 -1.7 52 51 A E H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.870 105.9 56.1 -65.5 -33.6 4.1 3.6 1.1 53 52 A T H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 112.2 43.3 -59.7 -45.3 6.5 5.0 3.7 54 53 A L H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.925 113.2 51.1 -64.4 -48.7 6.2 8.4 2.0 55 54 A Q H X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.944 113.8 43.7 -56.1 -49.6 2.4 8.2 1.6 56 55 A N H X S+ 0 0 71 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.869 112.2 53.3 -66.3 -39.9 1.8 7.3 5.2 57 56 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 -5,-0.3 5,-0.4 0.949 113.3 42.4 -61.1 -48.9 4.2 9.9 6.5 58 57 A F H X S+ 0 0 17 -4,-2.6 6,-2.1 3,-0.2 4,-1.3 0.913 118.8 45.0 -63.3 -42.9 2.6 12.7 4.6 59 58 A L H X S+ 0 0 67 -4,-2.4 4,-0.8 -5,-0.3 -2,-0.2 0.959 121.7 33.6 -67.6 -51.6 -1.0 11.5 5.4 60 59 A N H < S+ 0 0 86 -4,-2.7 -46,-0.2 -5,-0.2 -1,-0.2 0.739 130.5 29.4 -83.9 -21.3 -0.6 10.8 9.1 61 60 A H H < S+ 0 0 27 -4,-1.8 -3,-0.2 -5,-0.4 -1,-0.2 0.593 130.6 27.4-116.0 -13.3 1.9 13.5 10.1 62 61 A M H < S- 0 0 2 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.1 0.409 94.8-117.5-128.5 -0.2 1.3 16.4 7.7 63 62 A G < + 0 0 3 -4,-0.8 170,-2.8 -5,-0.3 2,-0.5 0.861 68.3 137.3 64.8 35.7 -2.3 16.2 6.6 64 63 A I B -b 233 0B 10 -6,-2.1 -1,-0.2 168,-0.3 -2,-0.2 -0.966 46.6-138.7-120.1 114.0 -1.4 15.6 3.0 65 64 A A >> - 0 0 4 168,-2.7 3,-1.4 -2,-0.5 4,-0.6 -0.200 24.2-105.5 -73.1 163.3 -3.4 13.0 1.2 66 65 A N H >> S+ 0 0 69 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.848 115.7 63.4 -57.0 -36.4 -2.0 10.4 -1.2 67 66 A S H >4 S+ 0 0 28 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.819 94.2 62.6 -59.4 -31.5 -3.4 12.2 -4.2 68 67 A V H <4 S+ 0 0 7 -3,-1.4 4,-0.3 165,-0.3 -1,-0.3 0.823 111.8 34.3 -64.2 -32.9 -1.2 15.2 -3.5 69 68 A I H S+ 0 0 54 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.900 114.0 58.4 -68.8 -37.0 3.0 12.6 -9.5 72 71 A A H > S+ 0 0 29 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.884 106.0 49.7 -58.7 -40.8 5.8 13.6 -7.0 73 72 A L H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.931 110.3 49.3 -64.1 -46.6 6.4 9.9 -6.3 74 73 A T H X S+ 0 0 62 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.944 114.3 46.3 -54.0 -49.6 6.5 9.1 -10.0 75 74 A N H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.881 108.2 55.7 -65.0 -38.6 9.0 11.9 -10.6 76 75 A A H X S+ 0 0 7 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.918 111.1 44.2 -57.9 -44.7 11.1 10.9 -7.6 77 76 A F H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 11,-0.3 0.850 110.5 54.1 -74.6 -33.2 11.6 7.4 -8.9 78 77 A V H X S+ 0 0 41 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.932 111.9 45.8 -59.6 -47.2 12.3 8.6 -12.5 79 78 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.892 108.5 56.1 -68.1 -36.9 15.0 10.9 -11.1 80 79 A a H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 6,-0.4 0.939 110.2 45.2 -57.1 -45.0 16.4 8.0 -9.0 81 80 A E H X S+ 0 0 89 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.930 114.3 49.1 -66.4 -44.3 16.8 5.9 -12.1 82 81 A Y H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.942 116.4 41.6 -56.9 -50.3 18.3 8.8 -14.1 83 82 A V H < S+ 0 0 30 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 124.2 34.6 -67.3 -43.9 20.8 9.7 -11.3 84 83 A T H < S- 0 0 58 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.690 100.3-127.1 -88.7 -20.6 21.9 6.1 -10.3 85 84 A G S < S+ 0 0 66 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.480 79.5 75.4 85.2 5.2 21.6 4.5 -13.8 86 85 A S S S- 0 0 72 -6,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 -0.990 92.8 -86.2-144.9 153.9 19.4 1.7 -12.7 87 86 A D - 0 0 113 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.369 31.2-154.0 -55.6 129.5 15.7 1.2 -11.7 88 87 A a > - 0 0 14 -11,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.313 19.0-161.1 -94.4 9.3 15.2 2.0 -8.0 89 88 A G T 3 - 0 0 39 1,-0.3 -1,-0.3 -12,-0.1 -8,-0.1 -0.232 63.6 -33.6 56.1-125.1 12.2 -0.3 -7.6 90 89 A D T 3 S+ 0 0 83 1,-0.1 2,-0.3 -40,-0.1 -1,-0.3 -0.141 122.4 85.8-122.5 39.1 10.3 0.7 -4.5 91 90 A S S < S- 0 0 56 -3,-2.5 -41,-0.2 -41,-0.1 2,-0.2 -0.826 71.1-146.3-137.4 90.9 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,-0.9 -0.449 16.1-137.7 -59.6 124.9 14.3 5.4 -3.2 93 92 A V E - 0 0 69 -2,-0.2 -45,-1.3 -45,-0.2 2,-0.3 0.924 66.6 -35.2 -61.1 -50.3 18.1 5.3 -2.9 94 93 A N E -A 47 0A 36 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.2 -0.960 47.7-113.2-159.2 174.7 18.3 8.6 -1.0 95 94 A L S > S+ 0 0 1 -49,-1.5 3,-1.4 -2,-0.3 4,-0.2 0.742 104.4 69.3 -81.6 -27.0 16.8 12.0 -0.6 96 95 A T G > S+ 0 0 22 -50,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.858 86.3 65.2 -66.9 -35.3 19.9 13.9 -1.9 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.701 84.3 76.2 -61.0 -19.4 19.6 12.7 -5.4 98 97 A L G < S+ 0 0 11 -3,-1.4 7,-0.6 1,-0.3 -1,-0.3 0.641 82.2 69.4 -65.6 -14.2 16.4 14.7 -5.7 99 98 A A G < + 0 0 1 -3,-2.4 -1,-0.3 -4,-0.2 184,-0.2 0.231 64.6 134.1 -88.2 14.5 18.6 17.8 -6.0 100 99 A E < > - 0 0 1 -3,-1.6 5,-0.7 182,-0.1 3,-0.5 -0.492 61.6-118.0 -58.5 122.0 19.8 16.6 -9.4 101 100 A P T 5S+ 0 0 0 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.226 85.3 18.5 -74.5 162.7 19.4 19.9 -11.3 102 101 A H T 5S+ 0 0 58 1,-0.2 4,-0.2 73,-0.1 2,-0.1 0.870 116.4 74.1 48.4 46.9 17.2 20.7 -14.3 103 102 A A T 5S- 0 0 8 2,-2.4 -1,-0.2 -3,-0.5 -5,-0.1 0.034 120.4 -27.5-144.4-107.0 15.1 17.7 -13.3 104 103 A F T 5S+ 0 0 40 -4,-0.4 2,-0.1 -6,-0.1 -5,-0.1 0.894 131.6 67.4 -85.2 -50.5 12.8 17.6 -10.3 105 104 A E S - 0 0 0 1,-0.1 3,-2.0 -2,-0.1 12,-0.2 -0.529 30.1-110.3 -82.0 154.3 20.5 27.7 -8.1 115 114 A Y T 3 S+ 0 0 5 1,-0.3 11,-2.3 -2,-0.2 -1,-0.1 0.815 119.6 25.5 -53.9 -37.7 23.1 25.1 -9.2 116 115 A K T > S+ 0 0 23 9,-0.2 54,-2.4 54,-0.1 3,-0.9 -0.051 87.9 147.4-117.7 34.3 25.0 27.7 -11.2 117 116 A Q B < S-C 169 0C 22 -3,-2.0 52,-0.3 52,-0.2 48,-0.1 -0.536 77.4 -14.2 -70.7 122.4 24.0 30.8 -9.2 118 117 A G T 3 S+ 0 0 58 50,-2.5 2,-0.2 -2,-0.4 -1,-0.2 0.674 90.5 155.0 67.0 19.6 26.7 33.5 -9.1 119 118 A V < - 0 0 19 -3,-0.9 -1,-0.2 49,-0.2 -3,-0.0 -0.591 40.8-147.2 -84.0 144.3 29.5 31.2 -10.2 120 119 A A S S+ 0 0 84 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.767 81.0 44.7 -79.8 -28.4 32.5 32.8 -11.9 121 120 A N S > S- 0 0 102 1,-0.1 3,-1.6 49,-0.0 49,-0.1 -0.928 80.1-123.7-125.7 148.6 33.2 29.9 -14.2 122 121 A S T 3 S+ 0 0 61 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.691 108.2 51.1 -64.0 -27.5 30.9 27.7 -16.4 123 122 A N T 3 S+ 0 0 141 2,-0.0 -1,-0.3 -7,-0.0 2,-0.1 0.516 90.2 104.2 -87.6 -7.6 31.9 24.3 -14.9 124 123 A D < + 0 0 65 -3,-1.6 2,-0.3 -8,-0.1 -5,-0.1 -0.358 45.5 178.3 -74.0 152.6 31.3 25.5 -11.3 125 124 A F - 0 0 74 -2,-0.1 2,-0.2 -9,-0.1 -9,-0.2 -0.981 7.3-160.5-149.8 160.6 28.3 24.5 -9.3 126 125 A I - 0 0 52 -11,-2.3 2,-1.0 -2,-0.3 157,-0.2 -0.714 42.8 -60.7-131.2 179.9 27.1 25.2 -5.8 127 126 A D + 0 0 37 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.564 49.3 163.6 -71.3 102.2 24.8 23.8 -3.1 128 127 A N + 0 0 0 -2,-1.0 -1,-0.2 -29,-0.1 -13,-0.1 0.066 68.5 59.9 -99.8 18.4 21.3 24.0 -4.7 129 128 A R S S+ 0 0 5 -15,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.779 81.8 74.1-119.1 -48.3 19.9 21.7 -2.1 130 129 A N S S- 0 0 14 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.437 91.5 -89.4 -77.2 149.0 20.2 23.0 1.5 131 130 A F - 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0 0 97 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 -0.740 54.8-160.1-112.5 154.3 2.9 41.3 6.9 147 146 A T S S+ 0 0 100 -2,-0.3 61,-2.3 1,-0.2 62,-0.5 0.667 81.5 24.1 -97.8 -23.8 1.5 38.3 8.8 148 147 A H E -D 207 0D 42 59,-0.2 2,-0.3 60,-0.1 59,-0.2 -0.925 62.6-163.4-137.5 159.7 -0.4 36.8 5.9 149 148 A F E -D 206 0D 1 57,-1.3 57,-2.2 -2,-0.3 2,-0.1 -0.991 7.3-145.4-148.5 157.8 -0.3 36.7 2.1 150 149 A D > - 0 0 58 -2,-0.3 4,-2.4 55,-0.2 5,-0.2 -0.373 41.7 -81.7-112.0-176.2 -2.6 35.7 -0.8 151 150 A Y H > S+ 0 0 38 1,-0.2 4,-2.2 53,-0.2 5,-0.2 0.888 126.5 52.5 -55.8 -42.8 -2.3 34.2 -4.3 152 151 A A H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 109.4 49.7 -64.8 -38.9 -1.4 37.5 -5.9 153 152 A D H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 108.7 52.1 -63.9 -43.3 1.4 38.0 -3.3 154 153 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.894 106.7 54.2 -60.4 -37.8 2.7 34.5 -4.0 155 154 A N H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.919 108.7 49.0 -62.5 -41.0 2.7 35.3 -7.7 156 155 A E H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.893 109.3 52.8 -64.8 -38.0 4.8 38.3 -6.9 157 156 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.951 110.4 45.6 -63.0 -50.2 7.2 36.3 -4.8 158 157 A R H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.886 111.8 53.2 -64.5 -33.3 7.8 33.7 -7.5 159 158 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.923 108.3 50.1 -66.2 -40.7 8.3 36.5 -10.1 160 159 A Q H X S+ 0 0 72 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.907 111.2 49.0 -60.6 -42.5 10.9 38.1 -7.9 161 160 A R H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 110.8 49.8 -65.9 -40.8 12.7 34.8 -7.5 162 161 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 112.0 49.1 -60.9 -45.5 12.6 34.2 -11.3 163 162 A S H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.952 113.2 45.3 -57.0 -54.7 14.1 37.7 -11.9 164 163 A L H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.906 114.9 47.6 -58.0 -43.8 16.9 37.3 -9.4 165 164 A S H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 110.1 51.4 -69.6 -39.2 17.8 33.9 -10.6 166 165 A N H < S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.852 115.9 43.4 -65.6 -31.5 17.8 34.9 -14.3 167 166 A E H < S+ 0 0 105 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.874 121.6 37.3 -78.1 -39.2 20.1 37.8 -13.4 168 167 A L H < S+ 0 0 83 -4,-2.5 -50,-2.5 -5,-0.2 -2,-0.2 0.693 92.2 95.6 -91.1 -23.6 22.4 35.9 -11.1 169 168 A D B < S-C 117 0C 9 -4,-2.4 -52,-0.2 -52,-0.3 3,-0.1 -0.381 90.1 -89.4 -72.1 149.0 22.8 32.5 -12.7 170 169 A F >> - 0 0 55 -54,-2.4 3,-2.6 1,-0.1 4,-0.6 -0.282 64.1 -82.4 -52.0 136.1 25.7 31.8 -15.0 171 170 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.175 116.9 15.5 -49.8 130.9 24.7 32.7 -18.6 172 171 A G T 34 S+ 0 0 84 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.171 104.7 91.2 92.0 -15.3 22.7 30.0 -20.2 173 172 A W T <4 + 0 0 16 -3,-2.6 -66,-0.1 -57,-0.1 -7,-0.1 0.936 56.0 97.2 -76.5 -49.3 22.0 28.1 -17.0 174 173 A F < + 0 0 30 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.140 46.5 175.5 -53.5 127.9 18.6 29.6 -16.0 175 174 A T - 0 0 72 83,-0.0 -68,-0.6 2,-0.0 -73,-0.1 -0.974 28.2-127.0-137.2 114.6 15.7 27.5 -17.0 176 175 A E - 0 0 57 -2,-0.4 -68,-0.1 1,-0.1 2,-0.0 -0.383 22.9-175.7 -65.6 142.7 12.2 28.6 -16.0 177 176 A S > + 0 0 20 -70,-0.2 4,-2.2 1,-0.1 5,-0.3 -0.513 19.6 153.5-139.0 63.5 10.1 25.9 -14.2 178 177 A K H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 71.4 56.9 -62.7 -42.6 6.6 27.3 -13.6 179 178 A P H > S+ 0 0 39 0, 0.0 4,-1.1 0, 0.0 89,-0.2 0.927 114.8 35.2 -59.0 -46.8 4.8 24.0 -13.6 180 179 A I H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.944 118.1 51.2 -72.8 -47.6 6.9 22.4 -10.8 181 180 A Q H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.901 109.6 50.3 -56.8 -40.6 7.4 25.6 -8.8 182 181 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.3 -1,-0.2 0.750 103.0 57.3 -83.6 -14.0 3.7 26.4 -8.7 183 182 A V H X S+ 0 0 33 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.937 110.4 48.0 -62.1 -46.5 2.7 22.9 -7.6 184 183 A E H X S+ 0 0 54 -4,-2.1 4,-2.1 2,-0.2 -2,-0.3 0.885 106.6 55.0 -63.5 -35.5 5.0 23.9 -4.7 185 184 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.942 109.6 47.5 -57.6 -47.8 3.3 27.2 -4.4 186 185 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.871 107.5 56.5 -60.1 -37.1 0.1 25.2 -4.0 187 186 A F H X S+ 0 0 59 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.878 104.4 53.0 -61.4 -39.2 1.8 23.0 -1.5 188 187 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.952 111.8 44.6 -64.0 -47.4 2.6 26.1 0.7 189 188 A F H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.897 113.5 52.6 -60.2 -38.6 -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 0.902 119.6 31.5 -64.6 -42.1 -2.1 23.5 1.4 191 190 A L H < S+ 0 0 5 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.913 132.5 21.6 -85.1 -44.8 0.2 23.1 4.4 192 191 A V H < S+ 0 0 0 -4,-2.7 15,-2.5 -5,-0.3 19,-0.2 0.132 81.1 123.0-125.3 21.9 0.5 26.6 6.0 193 192 A S B < S-E 206 0D 0 -4,-1.3 2,-1.4 13,-0.3 13,-0.3 -0.519 78.4 -94.5 -72.9 156.7 -2.5 28.6 4.9 194 193 A D > + 0 0 10 11,-2.9 3,-1.7 1,-0.2 11,-0.2 -0.544 43.2 178.0 -84.7 91.7 -4.5 29.9 7.9 195 194 A F T 3 S+ 0 0 40 -2,-1.4 -1,-0.2 1,-0.3 5,-0.2 0.495 73.7 74.9 -73.0 -2.7 -7.3 27.3 8.4 196 195 A N T 3 S+ 0 0 108 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.510 78.3 88.7 -85.9 -2.7 -8.5 29.3 11.5 197 196 A L S X S- 0 0 55 -3,-1.7 3,-1.3 8,-0.1 8,-0.0 -0.723 87.4-123.0 -91.8 144.7 -10.0 31.9 9.1 198 197 A P T 3 S+ 0 0 139 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.768 105.3 41.7 -61.1 -30.1 -13.6 31.2 8.1 199 198 A D T 3> S+ 0 0 53 1,-0.2 4,-3.0 4,-0.1 -4,-0.1 -0.170 70.7 132.9-110.4 32.8 -13.0 31.2 4.3 200 199 A N T <4 S+ 0 0 10 -3,-1.3 -1,-0.2 1,-0.2 -5,-0.1 0.884 73.0 47.0 -56.7 -43.1 -9.7 29.3 4.1 201 200 A D T 4 S+ 0 0 114 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.884 119.0 38.8 -71.6 -37.0 -10.8 26.9 1.3 202 201 A E T 4 S+ 0 0 170 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.921 138.2 14.2 -73.7 -39.7 -12.2 29.6 -0.9 203 202 A N S < S- 0 0 70 -4,-3.0 -2,-0.2 2,-0.0 -1,-0.2 -0.477 79.1-165.7-140.8 63.3 -9.5 32.1 -0.2 204 203 A P - 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