==== 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 2CIX . 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) . 12969.0 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 . 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 . 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 1 1 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 0.000 360.0 360.0 360.0 166.4 7.5 15.7 19.1 2 1 A E > - 0 0 77 14,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.295 360.0-120.9 -52.5 138.9 8.0 13.2 21.9 3 2 A P G > S+ 0 0 81 0, 0.0 3,-0.8 0, 0.0 12,-0.3 0.879 110.3 49.5 -57.8 -37.2 5.1 10.7 21.7 4 3 A G G 3 S+ 0 0 81 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.572 90.1 81.8 -77.0 -6.4 3.9 11.5 25.3 5 4 A S G < S- 0 0 48 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.1 0.752 81.5-147.9 -69.1 -25.0 3.9 15.3 24.7 6 5 A G X + 0 0 41 -3,-0.8 3,-1.4 -4,-0.4 6,-0.1 0.530 51.2 138.9 64.7 9.2 0.5 15.3 23.0 7 6 A I T 3 S+ 0 0 56 -5,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.860 72.7 42.3 -54.5 -39.8 1.7 18.3 20.9 8 7 A G T >> S+ 0 0 1 4,-0.1 4,-2.4 -5,-0.1 3,-1.6 0.620 93.8 158.8 -80.8 -9.7 0.0 16.8 17.7 9 8 A Y T <4 + 0 0 167 -3,-1.4 4,-0.1 1,-0.3 0, 0.0 -0.337 60.3 5.0 -69.0 143.2 -3.2 15.7 19.4 10 9 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.909 133.9 49.0 -95.8 20.0 -5.9 15.1 18.2 11 10 A Y T <4 S+ 0 0 104 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.851 126.3 19.5 -86.4 -39.2 -4.6 15.6 14.7 12 11 A D < + 0 0 9 -4,-2.4 -1,-0.3 -6,-0.1 3,-0.3 -0.951 65.8 178.4-131.6 110.6 -1.6 13.4 14.9 13 12 A N S S+ 0 0 100 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.241 73.9 51.8 -98.8 12.3 -1.8 11.0 17.8 14 13 A N S S+ 0 0 124 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.450 72.5 165.2-146.9 66.4 1.6 9.2 17.1 15 14 A T - 0 0 6 -3,-0.3 -9,-0.1 -12,-0.3 -10,-0.1 -0.363 21.6-153.3 -85.5 163.6 4.4 11.8 16.9 16 15 A L - 0 0 75 -14,-0.2 -14,-0.2 -2,-0.1 25,-0.1 -0.944 29.4 -98.9-132.3 149.2 8.1 11.2 17.0 17 16 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.286 35.1-101.6 -71.5 159.2 10.7 13.8 18.1 18 17 A Y - 0 0 9 279,-2.1 2,-0.4 278,-0.2 21,-0.2 -0.585 37.7-177.1 -68.2 135.7 12.8 16.0 16.0 19 18 A V - 0 0 78 19,-2.2 21,-0.1 -2,-0.3 3,-0.1 -0.982 27.3-120.8-136.6 125.7 16.4 14.8 15.6 20 19 A A - 0 0 36 -2,-0.4 2,-0.1 275,-0.2 269,-0.1 -0.313 35.1-102.9 -62.4 144.1 18.9 16.9 13.6 21 20 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.479 34.4-131.8 -67.9 140.1 20.5 15.2 10.6 22 21 A G > - 0 0 25 -2,-0.1 3,-1.9 -3,-0.1 -3,-0.0 -0.403 31.6 -95.1 -82.0 166.2 24.1 14.0 11.1 23 22 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 265,-0.0 0.758 125.4 46.7 -58.2 -24.6 26.9 14.7 8.7 24 23 A T T 3 S+ 0 0 108 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.507 89.1 106.1 -95.4 -4.5 26.3 11.3 6.9 25 24 A D S < S- 0 0 28 -3,-1.9 2,-0.5 262,-0.1 21,-0.2 -0.434 70.0-124.2 -73.5 149.4 22.5 11.5 6.7 26 25 A S - 0 0 2 19,-3.1 2,-0.3 -2,-0.1 -2,-0.1 -0.827 30.4-177.0 -95.0 129.1 21.0 12.2 3.3 27 26 A R - 0 0 0 -2,-0.5 71,-0.1 68,-0.1 103,-0.0 -0.866 15.2-130.4-124.9 163.9 18.6 15.2 2.9 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.452 25.8-114.3-102.4 169.5 16.6 16.6 0.1 29 28 A P S S+ 0 0 27 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.300 95.0 96.5 -78.3 6.6 16.0 20.0 -1.6 30 29 A C > - 0 0 38 1,-0.1 4,-2.1 65,-0.1 -2,-0.3 -0.882 64.0-158.3-105.8 124.1 12.5 19.6 -0.2 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.778 96.3 52.2 -67.5 -27.0 11.5 21.2 3.2 32 31 A A H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.1 5,-0.2 0.952 111.5 43.5 -73.8 -53.9 8.6 18.7 3.5 33 32 A L H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 113.5 53.7 -56.3 -40.5 10.8 15.5 3.0 34 33 A N H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.912 108.3 48.0 -65.9 -42.0 13.4 16.9 5.2 35 34 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 6,-0.2 0.919 112.3 50.0 -62.9 -42.9 11.0 17.5 8.1 36 35 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 6,-1.0 0.915 113.5 45.3 -59.1 -44.6 9.6 14.0 7.7 37 36 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.901 107.1 58.4 -68.8 -39.8 13.1 12.5 7.8 38 37 A N H 3<5S+ 0 0 1 -4,-2.6 -19,-2.2 1,-0.3 -1,-0.2 0.793 112.2 42.8 -57.7 -27.6 14.1 14.7 10.8 39 38 A H T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.457 113.5-116.2 -96.0 -2.2 11.2 13.1 12.7 40 39 A G T < 5S+ 0 0 36 -3,-1.2 -3,-0.2 -4,-0.4 4,-0.2 0.608 80.7 124.1 78.0 12.7 11.9 9.5 11.5 41 40 A Y S - 0 0 43 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.141 42.3-136.8 -48.7 129.7 14.2 7.0 7.5 44 43 A H T 3 S+ 0 0 52 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.1 0.824 106.4 55.6 -54.7 -32.2 16.3 9.5 9.6 45 44 A D T 3 S- 0 0 68 2,-0.2 -19,-3.1 -20,-0.1 -1,-0.3 0.603 109.2-127.4 -79.7 -7.8 19.3 8.7 7.3 46 45 A G < + 0 0 0 -3,-1.7 49,-1.6 1,-0.2 2,-0.3 0.735 67.2 118.3 71.2 27.7 17.2 9.6 4.3 47 46 A R E +A 94 0A 97 47,-0.2 47,-0.2 1,-0.2 -1,-0.2 -0.902 57.6 15.5-126.7 151.7 17.9 6.4 2.4 48 47 A A E S+ 0 0 59 45,-1.3 2,-0.5 44,-0.9 45,-0.2 0.934 72.8 175.3 63.3 59.6 15.9 3.4 1.0 49 48 A I E -A 92 0A 0 43,-1.8 43,-3.0 -3,-0.2 -1,-0.2 -0.848 18.4-147.9-109.9 125.6 12.4 4.9 1.1 50 49 A S > - 0 0 29 -2,-0.5 4,-1.9 41,-0.2 5,-0.1 -0.496 25.5-115.1 -86.4 158.5 9.4 3.1 -0.3 51 50 A R H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.901 116.7 51.5 -54.4 -46.5 6.3 4.8 -1.9 52 51 A E H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.885 105.1 54.4 -64.8 -36.8 4.1 3.6 1.0 53 52 A T H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 112.6 45.2 -58.9 -45.8 6.4 5.0 3.7 54 53 A L H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.936 112.7 50.2 -62.1 -47.9 6.2 8.4 1.9 55 54 A Q H X S+ 0 0 52 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.935 114.4 43.7 -57.2 -49.9 2.4 8.1 1.5 56 55 A N H X S+ 0 0 67 -4,-2.8 4,-3.0 2,-0.2 5,-0.4 0.884 113.1 51.9 -60.3 -44.0 1.8 7.2 5.2 57 56 A A H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.3 5,-0.4 0.938 113.8 42.6 -63.2 -46.5 4.2 9.9 6.4 58 57 A F H X S+ 0 0 20 -4,-2.6 6,-2.0 3,-0.2 4,-1.4 0.927 120.1 43.2 -67.6 -42.3 2.6 12.7 4.4 59 58 A L H X S+ 0 0 64 -4,-2.5 4,-0.9 -5,-0.3 -2,-0.2 0.965 122.1 34.4 -69.4 -51.3 -0.9 11.6 5.2 60 59 A N H < S+ 0 0 85 -4,-3.0 -46,-0.2 -5,-0.2 -1,-0.2 0.734 130.6 28.8 -81.5 -23.5 -0.6 10.8 8.9 61 60 A H H < S+ 0 0 27 -4,-1.8 -3,-0.2 -5,-0.4 -1,-0.2 0.546 131.1 28.2-116.6 -11.3 1.9 13.4 10.0 62 61 A M H < S- 0 0 2 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.427 94.2-119.3-127.5 -2.0 1.3 16.3 7.6 63 62 A G < + 0 0 3 -4,-0.9 170,-2.7 -5,-0.4 2,-0.5 0.879 67.4 137.5 64.9 36.8 -2.4 16.1 6.5 64 63 A I B -b 233 0B 10 -6,-2.0 -1,-0.2 168,-0.3 170,-0.2 -0.970 47.5-137.7-120.1 114.4 -1.4 15.6 2.9 65 64 A A >> - 0 0 4 168,-2.9 3,-1.5 -2,-0.5 4,-0.6 -0.170 24.2-104.9 -75.2 162.9 -3.4 13.0 1.1 66 65 A N G >4 S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.828 115.6 64.2 -57.6 -34.1 -2.0 10.4 -1.3 67 66 A S G >4 S+ 0 0 32 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.820 93.8 62.3 -60.4 -30.5 -3.4 12.2 -4.4 68 67 A V G <4 S+ 0 0 7 -3,-1.5 -1,-0.3 165,-0.3 4,-0.3 0.779 111.8 35.4 -68.3 -28.2 -1.2 15.2 -3.7 69 68 A I G S+ 0 0 138 -3,-0.8 4,-2.0 -4,-0.4 -2,-0.1 0.958 91.7 35.9 -57.5 -53.0 1.2 10.8 -6.9 71 70 A L H > S+ 0 0 56 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.893 115.0 58.7 -66.9 -38.8 3.1 12.6 -9.6 72 71 A A H > S+ 0 0 28 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.889 106.5 47.2 -55.3 -44.2 5.8 13.5 -7.1 73 72 A L H X S+ 0 0 16 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.933 111.1 51.3 -65.9 -45.6 6.4 9.9 -6.4 74 73 A T H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.945 113.6 44.8 -53.3 -50.7 6.5 9.1 -10.1 75 74 A N H X S+ 0 0 11 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.836 107.5 57.6 -66.5 -34.8 9.0 11.8 -10.7 76 75 A A H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.911 111.5 42.9 -60.7 -41.3 11.1 10.9 -7.7 77 76 A F H X S+ 0 0 15 -4,-1.9 4,-2.1 2,-0.2 11,-0.3 0.847 110.5 54.6 -79.3 -30.3 11.6 7.4 -9.1 78 77 A V H X S+ 0 0 40 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.945 112.1 45.4 -60.5 -47.5 12.2 8.6 -12.6 79 78 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.897 108.8 56.2 -65.6 -38.6 15.0 10.8 -11.2 80 79 A a H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 6,-0.4 0.930 110.3 45.0 -56.2 -44.9 16.4 8.0 -9.1 81 80 A E H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.918 113.6 49.9 -69.5 -39.5 16.8 5.8 -12.2 82 81 A Y H < S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.7 40.9 -60.2 -48.4 18.3 8.7 -14.2 83 82 A V H < S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 124.0 35.2 -69.0 -44.0 20.9 9.5 -11.4 84 83 A T H < S- 0 0 61 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.678 101.9-125.7 -89.7 -19.3 21.8 6.0 -10.4 85 84 A G S < S+ 0 0 63 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.1 0.551 79.4 69.9 81.6 8.8 21.6 4.4 -13.9 86 85 A S S S- 0 0 73 -6,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 -0.996 93.9 -81.8-151.9 157.5 19.2 1.6 -12.9 87 86 A D - 0 0 113 -2,-0.3 3,-0.1 1,-0.1 -9,-0.1 -0.331 31.1-157.0 -56.3 131.7 15.6 1.1 -11.9 88 87 A a > - 0 0 18 -11,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.310 19.6-161.1 -95.9 3.8 15.2 1.8 -8.1 89 88 A G T 3 - 0 0 38 1,-0.3 -1,-0.3 -12,-0.1 -8,-0.1 -0.260 64.7 -28.8 56.8-117.6 12.1 -0.3 -7.9 90 89 A D T 3 S+ 0 0 83 -3,-0.1 2,-0.3 1,-0.1 -1,-0.3 -0.139 121.9 85.4-121.9 35.4 10.3 0.7 -4.7 91 90 A S S < S- 0 0 56 -3,-2.5 -41,-0.2 -41,-0.1 -43,-0.2 -0.743 70.1-146.8-136.9 90.5 13.3 1.8 -2.7 92 91 A L E -A 49 0A 2 -43,-3.0 -43,-1.8 -2,-0.3 -44,-0.9 -0.378 16.6-138.4 -57.2 120.4 14.3 5.4 -3.4 93 92 A V E - 0 0 67 -45,-0.2 -45,-1.3 -46,-0.2 2,-0.3 0.924 66.9 -33.5 -58.3 -50.0 18.1 5.2 -3.0 94 93 A N E -A 47 0A 35 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.2 -0.965 47.6-113.7-159.1 174.3 18.3 8.5 -1.1 95 94 A L S > S+ 0 0 0 -49,-1.6 3,-1.2 -2,-0.3 4,-0.2 0.730 104.8 68.3 -79.6 -29.7 16.9 12.0 -0.7 96 95 A T G > S+ 0 0 23 -50,-0.3 3,-2.7 1,-0.3 -1,-0.1 0.863 86.9 65.4 -63.5 -37.6 20.0 13.8 -2.0 97 96 A L G > S+ 0 0 3 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.725 84.7 75.7 -60.3 -20.9 19.6 12.6 -5.5 98 97 A L G < S+ 0 0 12 -3,-1.2 7,-0.6 1,-0.3 -1,-0.3 0.661 82.3 69.0 -64.2 -14.8 16.4 14.6 -5.7 99 98 A A G < + 0 0 1 -3,-2.7 -1,-0.3 -4,-0.2 184,-0.2 0.276 65.0 135.4 -87.9 12.4 18.6 17.7 -6.0 100 99 A E X > - 0 0 0 -3,-1.8 5,-0.7 182,-0.1 3,-0.5 -0.458 61.0-118.4 -54.1 119.9 19.7 16.6 -9.5 101 100 A P T 3 5S+ 0 0 1 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.227 85.2 16.5 -73.3 159.5 19.5 19.9 -11.4 102 101 A H T 3 5S+ 0 0 61 3,-0.2 4,-0.2 1,-0.1 -2,-0.1 0.855 116.5 75.1 52.0 38.8 17.2 20.7 -14.4 103 102 A A T < 5S- 0 0 6 2,-1.9 -1,-0.1 -3,-0.5 -5,-0.1 0.122 120.7 -27.8-134.5-104.8 15.2 17.6 -13.5 104 103 A F T 5S+ 0 0 42 -4,-0.5 -5,-0.1 -6,-0.2 2,-0.1 0.878 131.4 67.3 -85.3 -51.1 12.8 17.5 -10.5 105 104 A E S - 0 0 0 -2,-0.1 3,-2.3 1,-0.1 12,-0.2 -0.527 30.8-109.8 -77.0 153.7 20.5 27.6 -8.2 115 114 A Y T 3 S+ 0 0 5 1,-0.3 11,-2.2 -2,-0.2 -1,-0.1 0.821 119.9 25.2 -53.3 -37.8 23.1 25.0 -9.2 116 115 A K T > S+ 0 0 24 9,-0.2 54,-2.5 54,-0.1 3,-0.8 -0.091 88.0 148.6-118.0 37.4 25.1 27.6 -11.2 117 116 A Q B < S-C 169 0C 18 -3,-2.3 52,-0.3 1,-0.2 48,-0.1 -0.579 77.2 -14.8 -74.9 123.1 24.0 30.7 -9.2 118 117 A G T 3 S+ 0 0 59 50,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.666 90.1 155.9 63.9 20.0 26.8 33.3 -9.1 119 118 A V < - 0 0 17 -3,-0.8 -1,-0.2 49,-0.2 -3,-0.0 -0.593 41.2-145.3 -83.4 142.4 29.6 31.0 -10.2 120 119 A A S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.768 82.7 43.6 -76.5 -27.6 32.6 32.6 -11.9 121 120 A N S > S- 0 0 105 1,-0.1 3,-2.2 49,-0.0 -1,-0.1 -0.953 81.6-122.5-127.9 144.5 33.2 29.7 -14.3 122 121 A S T 3 S+ 0 0 64 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.693 110.3 51.0 -57.8 -23.2 30.8 27.6 -16.5 123 122 A N T 3 S+ 0 0 134 2,-0.0 -1,-0.3 -7,-0.0 2,-0.1 0.499 88.1 100.6 -94.7 -5.1 31.9 24.4 -14.9 124 123 A D < - 0 0 65 -3,-2.2 2,-0.3 -8,-0.1 -5,-0.1 -0.395 48.8-176.6 -71.5 155.5 31.5 25.4 -11.3 125 124 A F - 0 0 75 -2,-0.1 2,-0.2 -9,-0.1 -9,-0.2 -0.974 5.7-158.8-148.9 162.3 28.5 24.4 -9.3 126 125 A I - 0 0 52 -11,-2.2 2,-0.9 -2,-0.3 157,-0.2 -0.708 41.6 -63.6-130.6 178.7 27.2 25.1 -5.8 127 126 A D + 0 0 36 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.566 48.6 164.7 -71.4 102.6 24.8 23.7 -3.1 128 127 A N + 0 0 1 -2,-0.9 -1,-0.2 -29,-0.1 -13,-0.2 0.042 68.6 59.7-100.5 20.3 21.4 23.9 -4.7 129 128 A R S S+ 0 0 5 -15,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.791 81.3 74.6-120.3 -50.7 20.0 21.6 -2.1 130 129 A N S S- 0 0 14 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.404 91.6 -88.8 -74.5 150.5 20.3 22.9 1.5 131 130 A F - 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0 0 56 -54,-2.5 3,-2.5 1,-0.1 4,-0.6 -0.258 62.9 -85.5 -51.9 135.8 25.8 31.7 -15.0 171 170 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.200 116.4 17.4 -54.0 128.9 24.8 32.7 -18.6 172 171 A G T 34 S+ 0 0 85 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.160 105.7 88.7 97.7 -18.3 22.9 29.8 -20.3 173 172 A W T <4 + 0 0 16 -3,-2.5 -66,-0.1 -57,-0.1 -58,-0.1 0.921 58.4 97.1 -74.7 -50.1 22.1 28.0 -17.0 174 173 A F < + 0 0 31 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.168 46.1 174.3 -56.5 126.4 18.8 29.6 -16.1 175 174 A T - 0 0 73 83,-0.0 -68,-0.6 2,-0.0 2,-0.1 -0.983 28.3-127.1-134.0 120.0 15.8 27.6 -17.1 176 175 A E - 0 0 55 -2,-0.4 -68,-0.1 -70,-0.1 2,-0.1 -0.431 22.5-176.4 -70.0 139.9 12.2 28.6 -16.0 177 176 A S > + 0 0 18 -70,-0.2 4,-2.4 -2,-0.1 5,-0.3 -0.516 19.0 154.4-135.1 66.0 10.1 25.9 -14.3 178 177 A K H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 73.1 55.1 -60.3 -44.1 6.7 27.4 -13.7 179 178 A P H > S+ 0 0 39 0, 0.0 4,-1.0 0, 0.0 89,-0.3 0.919 115.1 36.7 -59.7 -42.9 4.9 24.0 -13.7 180 179 A I H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.950 118.3 49.1 -75.6 -47.7 7.1 22.4 -11.0 181 180 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.888 109.8 51.9 -57.1 -38.9 7.5 25.6 -8.9 182 181 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.755 101.6 56.8 -84.1 -14.4 3.8 26.4 -8.9 183 182 A V H X S+ 0 0 28 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.3 0.920 110.0 49.6 -64.6 -42.7 2.7 23.0 -7.7 184 183 A E H X S+ 0 0 53 -4,-1.8 4,-1.9 2,-0.2 -2,-0.3 0.856 105.9 54.3 -65.5 -34.6 5.1 23.8 -4.8 185 184 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.953 109.7 47.8 -58.2 -47.1 3.4 27.2 -4.5 186 185 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.871 107.8 56.4 -57.9 -41.5 0.1 25.1 -4.1 187 186 A F H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.868 104.7 52.0 -56.7 -41.2 1.9 22.9 -1.6 188 187 A I H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.955 111.7 45.4 -66.0 -45.3 2.7 26.0 0.6 189 188 A F H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.892 113.0 52.3 -59.2 -38.0 -0.9 27.0 0.5 190 189 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.893 120.4 31.4 -68.0 -40.9 -2.0 23.4 1.3 191 190 A L H < S+ 0 0 5 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.905 132.1 21.9 -87.7 -43.4 0.3 23.1 4.3 192 191 A V H < S+ 0 0 0 -4,-2.9 15,-2.6 -5,-0.2 19,-0.2 0.160 81.4 122.0-123.8 18.6 0.6 26.5 5.9 193 192 A S B < S-E 206 0D 0 -4,-1.1 2,-1.4 -5,-0.3 13,-0.3 -0.518 79.0 -95.7 -71.7 153.3 -2.4 28.6 4.8 194 193 A D > + 0 0 12 11,-3.0 3,-1.7 1,-0.2 11,-0.2 -0.566 42.3 179.0 -83.2 90.2 -4.4 29.7 7.8 195 194 A F T 3 S+ 0 0 40 -2,-1.4 -1,-0.2 1,-0.3 5,-0.2 0.525 74.0 74.9 -68.5 -5.1 -7.1 27.2 8.3 196 195 A N T 3 S+ 0 0 108 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.511 78.3 89.6 -85.3 -5.8 -8.4 29.1 11.4 197 196 A L S X S- 0 0 56 -3,-1.7 3,-1.2 8,-0.1 8,-0.0 -0.725 87.5-122.6 -87.9 144.8 -9.8 31.8 9.0 198 197 A P T 3 S+ 0 0 135 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.762 105.9 41.1 -59.4 -32.9 -13.5 31.1 7.9 199 198 A D T 3> S+ 0 0 51 1,-0.2 4,-2.7 4,-0.1 3,-0.3 -0.189 70.2 134.1-112.2 37.6 -12.8 31.1 4.2 200 199 A N T <4 S+ 0 0 10 -3,-1.2 -1,-0.2 1,-0.2 -5,-0.1 0.863 72.5 49.5 -54.8 -41.2 -9.6 29.1 4.0 201 200 A D T 4 S+ 0 0 113 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.809 118.0 38.1 -76.3 -24.8 -10.6 26.9 1.1 202 201 A E T 4 S+ 0 0 162 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.922 137.9 12.1 -87.0 -46.7 -11.9 29.7 -1.1 203 202 A N S < S- 0 0 63 -4,-2.7 -1,-0.2 2,-0.0 -2,-0.2 -0.629 81.1-167.3-130.3 71.8 -9.2 32.3 -0.4 204 203 A P - 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