==== 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 2CJ2 . 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) . 12950.0 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 . 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 . 88 29.4 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 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 0.000 360.0 360.0 360.0 165.6 7.5 15.8 19.2 2 1 A E > - 0 0 85 14,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.291 360.0-122.3 -51.3 134.7 8.0 13.3 22.0 3 2 A P G > S+ 0 0 90 0, 0.0 3,-0.9 0, 0.0 12,-0.2 0.878 110.4 51.2 -56.7 -35.8 5.0 10.9 21.8 4 3 A G G 3 S+ 0 0 80 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.630 90.1 80.9 -73.6 -13.1 3.9 11.6 25.4 5 4 A S G < S- 0 0 46 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.1 0.753 82.6-147.5 -65.1 -28.4 3.9 15.4 24.9 6 5 A G X + 0 0 38 -3,-0.9 3,-1.3 -4,-0.5 -1,-0.1 0.532 53.1 136.6 71.4 5.8 0.5 15.4 23.2 7 6 A I T 3 S+ 0 0 57 -5,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.867 72.6 43.6 -55.4 -40.1 1.7 18.3 21.0 8 7 A G T >> S+ 0 0 1 4,-0.1 4,-2.4 -5,-0.1 3,-1.6 0.627 94.0 157.4 -78.6 -11.4 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 -0.353 60.6 4.8 -69.1 141.6 -3.1 15.7 19.5 10 9 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.905 134.7 48.2 -94.6 18.8 -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 0.835 125.4 21.4 -87.1 -38.1 -4.5 15.6 14.8 12 11 A D < + 0 0 9 -4,-2.4 -1,-0.3 -6,-0.1 3,-0.3 -0.946 65.1 179.0-132.5 109.4 -1.4 13.4 15.0 13 12 A N S S+ 0 0 100 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.242 75.3 50.4 -93.8 9.3 -1.7 10.9 17.9 14 13 A N S S+ 0 0 124 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.434 73.1 167.0-147.9 63.8 1.7 9.2 17.3 15 14 A T - 0 0 5 -3,-0.3 -10,-0.1 -12,-0.2 -9,-0.1 -0.403 20.6-153.6 -83.6 158.8 4.4 11.8 17.0 16 15 A L - 0 0 77 -14,-0.2 -14,-0.2 -2,-0.1 25,-0.1 -0.950 28.7-100.4-126.8 150.0 8.1 11.3 17.1 17 16 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.235 35.0-100.6 -72.6 157.5 10.7 13.8 18.3 18 17 A Y - 0 0 9 279,-2.3 2,-0.4 278,-0.2 21,-0.2 -0.614 38.5-176.2 -67.6 132.2 12.9 16.1 16.2 19 18 A V - 0 0 78 19,-2.5 21,-0.1 -2,-0.3 3,-0.1 -0.992 27.0-120.3-131.1 124.9 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 -0.305 32.8-106.3 -62.0 143.0 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 -0.491 34.0-136.5 -68.1 141.4 20.6 15.2 10.9 22 21 A G > - 0 0 25 -2,-0.1 3,-1.7 -3,-0.1 -3,-0.0 -0.448 31.9 -91.6 -89.8 170.0 24.2 14.1 11.4 23 22 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.0 0, 0.0 265,-0.0 0.751 126.0 45.7 -58.5 -24.8 27.0 14.6 8.9 24 23 A T T 3 S+ 0 0 106 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.530 89.5 106.0 -95.5 -9.1 26.5 11.2 7.2 25 24 A D S < S- 0 0 27 -3,-1.7 2,-0.5 262,-0.1 21,-0.2 -0.451 70.4-124.7 -69.7 144.7 22.6 11.5 7.0 26 25 A S - 0 0 1 19,-2.6 2,-0.3 -2,-0.1 -2,-0.1 -0.807 31.1-179.1 -91.5 127.1 21.1 12.2 3.6 27 26 A R - 0 0 0 -2,-0.5 71,-0.1 68,-0.1 103,-0.1 -0.834 15.5-131.4-123.6 164.1 18.8 15.2 3.2 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.474 26.0-112.8-105.5 172.7 16.8 16.6 0.3 29 28 A P S S+ 0 0 29 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.317 95.4 94.8 -83.3 7.0 16.2 20.0 -1.4 30 29 A C > - 0 0 40 1,-0.1 4,-2.3 65,-0.1 -2,-0.3 -0.888 64.9-156.7-105.8 121.7 12.7 19.6 -0.0 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.789 96.3 53.0 -66.7 -26.6 11.7 21.2 3.3 32 31 A A H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.958 110.2 43.9 -71.6 -52.3 8.8 18.7 3.7 33 32 A L H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 114.0 53.0 -59.1 -39.4 10.9 15.5 3.2 34 33 A N H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.917 108.4 48.5 -64.5 -43.2 13.6 17.0 5.5 35 34 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.928 112.4 49.5 -59.3 -44.8 11.1 17.6 8.2 36 35 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 6,-0.8 0.933 113.1 46.2 -61.1 -43.5 9.7 14.1 7.9 37 36 A A H ><5S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.884 106.1 58.6 -67.7 -39.8 13.2 12.6 8.0 38 37 A N H 3<5S+ 0 0 1 -4,-2.8 -19,-2.5 1,-0.3 -1,-0.2 0.757 111.9 42.8 -59.7 -24.9 14.2 14.7 11.0 39 38 A H T <<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.459 113.8-118.1 -97.6 -3.9 11.3 13.1 12.9 40 39 A G T < 5S+ 0 0 34 -3,-1.2 -3,-0.2 -4,-0.5 4,-0.2 0.646 78.5 127.3 72.8 17.7 12.0 9.6 11.6 41 40 A Y S - 0 0 45 0, 0.0 3,-2.3 0, 0.0 -2,-0.1 -0.109 42.7-137.6 -47.1 129.5 14.3 7.1 7.7 44 43 A H T 3 S+ 0 0 50 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.812 106.1 56.8 -56.8 -29.3 16.3 9.5 9.7 45 44 A D T 3 S- 0 0 68 2,-0.1 -19,-2.6 -20,-0.1 -1,-0.3 0.541 108.9-127.8 -79.6 -4.3 19.3 8.6 7.6 46 45 A G < + 0 0 0 -3,-2.3 49,-1.5 1,-0.2 2,-0.3 0.757 66.2 121.9 66.5 27.6 17.3 9.6 4.5 47 46 A R E +A 94 0A 99 47,-0.2 47,-0.3 1,-0.2 -1,-0.2 -0.896 57.1 10.9-124.7 150.4 18.0 6.3 2.7 48 47 A A E S+ 0 0 61 45,-1.5 2,-0.5 44,-0.7 45,-0.2 0.933 73.1 177.1 59.2 61.3 16.1 3.4 1.2 49 48 A I E -A 92 0A 0 43,-1.8 43,-3.1 -3,-0.2 -1,-0.2 -0.856 17.1-149.3-109.2 124.2 12.7 4.9 1.2 50 49 A S > - 0 0 28 -2,-0.5 4,-2.0 41,-0.2 5,-0.2 -0.437 25.9-115.4 -86.4 160.6 9.6 3.2 -0.2 51 50 A R H > S+ 0 0 84 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.920 116.9 51.8 -56.7 -45.2 6.5 4.8 -1.7 52 51 A E H > S+ 0 0 128 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.885 105.8 55.0 -64.3 -36.9 4.3 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 0.935 112.5 43.2 -59.9 -46.0 6.7 5.0 3.7 54 53 A L H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.934 113.5 51.4 -63.3 -48.8 6.4 8.4 2.1 55 54 A Q H X S+ 0 0 57 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.939 113.6 43.5 -54.8 -49.3 2.6 8.1 1.6 56 55 A N H X S+ 0 0 68 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.901 112.5 53.0 -65.3 -40.5 2.0 7.2 5.3 57 56 A A H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.3 5,-0.4 0.942 113.5 42.5 -60.7 -49.0 4.4 9.8 6.6 58 57 A F H X S+ 0 0 17 -4,-2.7 6,-1.9 3,-0.2 4,-1.6 0.936 119.3 43.6 -64.0 -45.5 2.7 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 0.943 121.8 35.0 -66.5 -49.9 -0.8 11.5 5.4 60 59 A N H < S+ 0 0 87 -4,-2.9 -46,-0.2 -5,-0.2 -1,-0.2 0.710 130.2 28.1 -83.0 -21.5 -0.4 10.7 9.1 61 60 A H H < S+ 0 0 27 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.542 130.4 28.2-119.1 -11.1 2.0 13.4 10.1 62 61 A M H < S- 0 0 3 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.385 94.4-118.1-129.7 -1.9 1.5 16.3 7.7 63 62 A G < + 0 0 3 -4,-0.7 170,-2.8 -5,-0.3 2,-0.5 0.860 67.7 137.5 65.6 34.8 -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,-0.2 -0.975 46.9-138.0-117.8 115.3 -1.2 15.6 3.0 65 64 A A >> - 0 0 5 168,-2.8 3,-1.2 -2,-0.5 4,-0.6 -0.246 24.5-105.5 -72.3 163.0 -3.2 13.0 1.2 66 65 A N H >> S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.845 116.2 64.5 -56.3 -38.2 -1.8 10.4 -1.2 67 66 A S H >4 S+ 0 0 27 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.851 94.5 60.7 -54.3 -34.7 -3.1 12.3 -4.3 68 67 A V H <4 S+ 0 0 6 -3,-1.2 4,-0.3 165,-0.3 -1,-0.3 0.798 111.9 36.4 -66.1 -31.7 -0.9 15.3 -3.5 69 68 A I H S+ 0 0 57 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.894 114.8 57.8 -67.0 -38.9 3.4 12.8 -9.4 72 71 A A H > S+ 0 0 25 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.892 106.6 48.1 -57.9 -40.6 6.1 13.6 -6.9 73 72 A L H X S+ 0 0 14 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.943 110.9 51.0 -65.5 -45.6 6.6 9.9 -6.2 74 73 A T H X S+ 0 0 61 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.951 114.7 43.3 -54.8 -50.0 6.8 9.2 -10.0 75 74 A N H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.851 107.9 58.4 -68.3 -35.2 9.4 11.9 -10.5 76 75 A A H X S+ 0 0 7 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.935 111.6 42.2 -57.5 -45.8 11.4 11.0 -7.4 77 76 A F H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 11,-0.3 0.838 110.7 55.0 -76.2 -30.7 11.9 7.5 -8.8 78 77 A V H X S+ 0 0 40 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.943 112.0 45.8 -60.6 -47.1 12.6 8.7 -12.4 79 78 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.885 108.6 55.8 -65.5 -37.6 15.3 10.9 -10.9 80 79 A a H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 6,-0.4 0.940 110.2 45.2 -58.2 -45.6 16.6 8.0 -8.8 81 80 A E H X S+ 0 0 89 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 114.7 49.0 -65.1 -43.5 17.0 5.9 -12.0 82 81 A Y H < S+ 0 0 22 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.934 116.7 40.5 -59.7 -50.5 18.6 8.8 -13.9 83 82 A V H < S+ 0 0 30 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.917 123.8 36.4 -66.5 -46.4 21.1 9.6 -11.1 84 83 A T H < S- 0 0 58 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.705 100.5-127.3 -85.6 -23.2 22.1 6.0 -10.1 85 84 A G S < S+ 0 0 64 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.402 79.8 71.6 90.5 -0.3 21.9 4.5 -13.6 86 85 A S S S- 0 0 74 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.977 94.3 -83.2-143.9 157.6 19.6 1.7 -12.6 87 86 A D - 0 0 112 -2,-0.3 3,-0.1 1,-0.1 -9,-0.1 -0.336 30.6-153.6 -57.5 133.7 15.9 1.2 -11.7 88 87 A a > - 0 0 15 -11,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.348 20.1-160.9 -95.6 6.3 15.5 2.0 -8.0 89 88 A G T 3 - 0 0 38 1,-0.3 -1,-0.3 -12,-0.1 -8,-0.1 -0.274 64.2 -33.1 57.3-124.4 12.4 -0.3 -7.6 90 89 A D T 3 S+ 0 0 83 -3,-0.1 2,-0.3 1,-0.1 -1,-0.3 -0.207 122.6 85.5-121.5 39.2 10.5 0.8 -4.6 91 90 A S S < S- 0 0 54 -3,-2.4 2,-0.3 -41,-0.1 -41,-0.2 -0.841 70.9-145.6-138.2 97.0 13.5 1.8 -2.5 92 91 A L E -A 49 0A 1 -43,-3.1 -43,-1.8 -2,-0.3 -44,-0.7 -0.516 16.2-138.6 -64.7 121.8 14.5 5.4 -3.1 93 92 A V E - 0 0 68 -2,-0.3 -45,-1.5 -45,-0.2 2,-0.3 0.926 67.3 -34.2 -58.4 -49.6 18.3 5.2 -2.7 94 93 A N E -A 47 0A 34 -47,-0.3 -47,-0.2 -46,-0.1 -1,-0.2 -0.959 47.9-113.8-157.1 176.4 18.5 8.5 -0.8 95 94 A L S > S+ 0 0 0 -49,-1.5 3,-1.5 -2,-0.3 4,-0.1 0.756 104.7 69.8 -80.3 -28.4 17.0 12.0 -0.5 96 95 A T G > S+ 0 0 23 -50,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.872 86.8 63.7 -63.3 -39.0 20.2 13.8 -1.7 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.710 85.2 76.3 -59.6 -19.6 19.9 12.6 -5.3 98 97 A L G < S+ 0 0 12 -3,-1.5 7,-0.5 1,-0.3 -1,-0.3 0.596 81.6 69.9 -67.0 -11.5 16.6 14.6 -5.5 99 98 A A G < + 0 0 1 -3,-2.4 -1,-0.3 -4,-0.1 184,-0.2 0.179 64.7 135.0 -90.3 14.2 18.9 17.7 -5.8 100 99 A E < > - 0 0 0 -3,-1.7 5,-0.7 182,-0.1 3,-0.4 -0.529 60.6-118.8 -58.1 120.5 20.0 16.6 -9.2 101 100 A P T 5S+ 0 0 0 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.205 85.4 18.3 -73.9 160.8 19.7 19.9 -11.2 102 101 A H T 5S+ 0 0 55 1,-0.2 4,-0.2 3,-0.1 2,-0.1 0.883 116.6 74.5 48.0 45.8 17.5 20.7 -14.2 103 102 A A T 5S- 0 0 7 2,-2.5 -1,-0.2 -3,-0.4 -5,-0.1 -0.057 120.7 -28.4-141.7-112.6 15.4 17.6 -13.2 104 103 A F T 5S+ 0 0 40 -4,-0.4 2,-0.1 -29,-0.1 -5,-0.1 0.918 131.9 68.2 -78.2 -50.8 13.0 17.5 -10.3 105 104 A E S - 0 0 0 1,-0.1 3,-2.1 -2,-0.1 12,-0.2 -0.515 30.0-111.1 -81.4 152.4 20.8 27.6 -7.9 115 114 A Y T 3 S+ 0 0 4 1,-0.3 11,-2.4 -2,-0.2 -1,-0.1 0.840 119.3 24.9 -53.4 -39.3 23.3 25.0 -9.0 116 115 A K T > S+ 0 0 23 9,-0.2 54,-2.4 54,-0.1 3,-1.0 -0.085 88.3 149.0-116.3 34.3 25.4 27.6 -10.9 117 116 A Q B < S-C 169 0C 21 -3,-2.1 52,-0.3 1,-0.2 48,-0.1 -0.546 76.7 -13.5 -72.4 122.8 24.3 30.7 -9.0 118 117 A G T 3 S+ 0 0 57 50,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.652 90.5 155.0 66.9 18.5 27.0 33.3 -8.9 119 118 A V < - 0 0 17 -3,-1.0 -1,-0.2 49,-0.2 -3,-0.0 -0.601 39.2-151.0 -83.5 139.0 29.8 31.0 -10.1 120 119 A A S S+ 0 0 85 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.785 80.3 48.8 -76.5 -29.3 32.7 32.7 -11.8 121 120 A N S > S- 0 0 108 1,-0.1 3,-1.6 49,-0.0 49,-0.1 -0.905 80.3-126.2-122.4 146.6 33.5 29.6 -14.0 122 121 A S T 3 S+ 0 0 62 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.741 108.2 49.2 -61.2 -31.5 31.2 27.5 -16.2 123 122 A N T 3 S+ 0 0 140 2,-0.0 -1,-0.3 -7,-0.0 2,-0.0 0.558 90.2 105.2 -83.9 -10.7 32.2 24.1 -14.6 124 123 A D < + 0 0 70 -3,-1.6 2,-0.3 -8,-0.1 -5,-0.1 -0.340 46.0 179.0 -67.2 150.1 31.7 25.4 -11.0 125 124 A F - 0 0 73 -9,-0.1 2,-0.2 -2,-0.0 -9,-0.2 -0.983 6.9-161.5-147.2 159.7 28.6 24.3 -9.0 126 125 A I - 0 0 52 -11,-2.4 2,-1.0 -2,-0.3 157,-0.2 -0.716 42.8 -59.9-131.6-179.2 27.4 25.1 -5.5 127 126 A D + 0 0 36 -2,-0.2 -14,-0.6 1,-0.2 155,-0.0 -0.526 49.6 162.6 -70.2 98.2 24.9 23.8 -2.9 128 127 A N + 0 0 0 -2,-1.0 -1,-0.2 -29,-0.1 -13,-0.1 0.105 69.4 58.8 -96.7 18.6 21.5 23.9 -4.6 129 128 A R S S+ 0 0 5 -15,-0.1 2,-0.1 2,-0.1 3,-0.1 0.803 82.4 73.9-116.9 -52.9 20.1 21.5 -1.9 130 129 A N S S- 0 0 13 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.392 91.5 -89.8 -72.7 146.9 20.4 22.8 1.7 131 130 A F - 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0 0 57 -54,-2.4 3,-2.5 1,-0.1 4,-0.6 -0.227 64.6 -83.6 -52.2 135.4 26.1 31.6 -14.8 171 170 A P T 34 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.216 116.1 15.2 -50.7 128.7 25.1 32.6 -18.4 172 171 A G T 34 S+ 0 0 84 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.165 105.1 90.4 95.1 -16.3 23.1 29.9 -20.1 173 172 A W T <4 + 0 0 17 -3,-2.5 -66,-0.1 -57,-0.1 -7,-0.1 0.931 56.1 98.2 -74.4 -50.1 22.3 28.0 -16.9 174 173 A F < + 0 0 30 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.143 47.8 176.4 -50.2 128.3 19.0 29.6 -15.8 175 174 A T - 0 0 68 83,-0.0 -68,-0.6 2,-0.0 -73,-0.1 -0.980 28.4-124.1-137.9 118.7 16.0 27.5 -16.9 176 175 A E - 0 0 58 -2,-0.4 -68,-0.1 1,-0.1 83,-0.0 -0.377 24.4-177.7 -67.0 141.6 12.5 28.5 -16.0 177 176 A S > + 0 0 20 -70,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.423 20.2 151.3-137.1 56.4 10.5 25.9 -14.1 178 177 A K H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 71.1 54.7 -57.8 -45.3 7.0 27.4 -13.6 179 178 A P H > S+ 0 0 38 0, 0.0 4,-1.2 0, 0.0 89,-0.3 0.937 115.9 35.3 -57.8 -49.4 5.1 24.0 -13.6 180 179 A I H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.940 118.2 51.5 -71.2 -46.4 7.1 22.3 -10.8 181 180 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.895 110.3 49.1 -57.4 -41.4 7.7 25.5 -8.8 182 181 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.746 102.7 57.9 -85.6 -13.2 4.0 26.4 -8.7 183 182 A V H X S+ 0 0 31 -4,-1.2 4,-2.3 -3,-0.4 -1,-0.2 0.941 109.9 48.5 -61.4 -46.5 2.9 22.9 -7.6 184 183 A E H X S+ 0 0 51 -4,-2.0 4,-2.2 2,-0.2 -2,-0.3 0.870 105.8 55.9 -62.2 -35.7 5.3 23.7 -4.7 185 184 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.959 108.9 47.6 -56.7 -48.9 3.5 27.1 -4.4 186 185 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.871 107.3 57.0 -58.1 -38.8 0.3 25.2 -4.0 187 186 A F H X S+ 0 0 56 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.891 104.4 52.3 -59.5 -42.0 2.1 22.9 -1.5 188 187 A I H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.960 111.7 45.0 -60.7 -49.1 2.9 26.0 0.6 189 188 A F H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.906 113.1 53.0 -59.4 -38.4 -0.8 27.1 0.6 190 189 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 119.1 31.7 -64.1 -42.1 -1.8 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 0.917 132.4 22.0 -84.7 -45.9 0.5 23.1 4.4 192 191 A V H < S+ 0 0 0 -4,-2.7 15,-2.6 -5,-0.3 19,-0.2 0.131 80.5 123.6-123.9 21.8 0.7 26.5 6.0 193 192 A S B < S-E 206 0D 0 -4,-1.3 2,-1.4 13,-0.3 13,-0.3 -0.505 77.7 -95.5 -72.2 155.0 -2.3 28.6 4.9 194 193 A D > + 0 0 10 11,-3.2 3,-1.7 1,-0.2 11,-0.2 -0.564 42.2 179.2 -83.3 93.7 -4.3 29.8 7.9 195 194 A F T 3 S+ 0 0 40 -2,-1.4 -1,-0.2 1,-0.3 5,-0.2 0.506 73.8 75.8 -72.5 -3.3 -7.1 27.3 8.4 196 195 A N T 3 S+ 0 0 112 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.525 77.8 89.3 -84.5 -6.9 -8.3 29.3 11.4 197 196 A L S X S- 0 0 56 -3,-1.7 3,-1.4 8,-0.1 8,-0.0 -0.729 86.5-124.6 -88.2 142.5 -9.8 31.9 9.0 198 197 A P T 3 S+ 0 0 134 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.745 106.4 42.0 -61.9 -26.8 -13.4 31.1 7.9 199 198 A D T 3> S+ 0 0 51 1,-0.2 4,-3.1 4,-0.1 -3,-0.1 -0.150 73.9 126.1-112.0 32.2 -12.7 31.1 4.2 200 199 A N T <4 S+ 0 0 6 -3,-1.4 -1,-0.2 1,-0.2 -5,-0.1 0.924 72.3 49.8 -59.4 -48.1 -9.4 29.2 4.2 201 200 A D T 4 S+ 0 0 114 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.885 122.0 33.9 -60.3 -40.6 -10.5 26.5 1.7 202 201 A E T 4 S+ 0 0 161 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.834 137.3 18.4 -80.2 -38.0 -11.8 29.1 -0.8 203 202 A N S < S- 0 0 69 -4,-3.1 -1,-0.2 2,-0.0 -2,-0.2 -0.461 80.5-166.4-138.9 62.5 -9.3 31.9 -0.2 204 203 A P - 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