==== 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 2CIW . 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) . 13089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 54.5 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.1 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 1 0 2 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 2 0, 0.0 297,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.3 7.4 16.0 19.3 2 1 A E > - 0 0 87 14,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.312 360.0-120.0 -51.4 138.8 8.0 13.4 22.0 3 2 A P G > S+ 0 0 88 0, 0.0 3,-0.8 0, 0.0 12,-0.3 0.855 110.3 51.0 -57.6 -37.4 5.0 11.1 21.9 4 3 A G G 3 S+ 0 0 80 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.577 90.0 81.6 -75.4 -9.1 3.9 11.8 25.5 5 4 A S G < S- 0 0 45 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.1 0.755 81.6-148.0 -67.7 -27.3 3.9 15.6 24.9 6 5 A G X + 0 0 40 -3,-0.8 3,-1.3 -4,-0.4 -1,-0.1 0.545 52.7 136.6 68.5 7.9 0.5 15.6 23.3 7 6 A I T 3 S+ 0 0 57 -5,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.866 73.0 44.3 -56.7 -35.1 1.6 18.5 21.1 8 7 A G T >> S+ 0 0 1 4,-0.1 4,-2.2 -5,-0.1 3,-1.7 0.632 92.7 157.6 -80.5 -13.5 0.0 16.9 18.0 9 8 A Y T <4 + 0 0 166 -3,-1.3 4,-0.1 1,-0.3 0, 0.0 -0.347 60.5 4.0 -70.6 143.9 -3.2 15.9 19.7 10 9 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.909 134.3 48.0 -95.1 19.7 -5.9 15.3 18.4 11 10 A Y T <4 S+ 0 0 107 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.814 125.7 22.2 -87.9 -37.4 -4.6 15.8 14.8 12 11 A D < + 0 0 9 -4,-2.2 -1,-0.3 -6,-0.1 3,-0.3 -0.945 64.6 177.3-132.8 108.2 -1.5 13.6 15.1 13 12 A N S S+ 0 0 101 -2,-0.4 -4,-0.1 -3,-0.2 48,-0.1 0.249 74.5 51.5 -95.4 8.4 -1.8 11.1 18.0 14 13 A N S S+ 0 0 125 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.444 73.0 166.0-145.0 65.1 1.6 9.4 17.3 15 14 A T - 0 0 6 -3,-0.3 -10,-0.1 -12,-0.3 -9,-0.1 -0.394 20.4-154.7 -81.9 160.7 4.4 12.0 17.1 16 15 A L - 0 0 76 -14,-0.2 -14,-0.2 -2,-0.1 25,-0.1 -0.950 28.6 -98.0-129.6 151.1 8.1 11.4 17.2 17 16 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.237 34.9-102.5 -70.8 155.2 10.7 14.0 18.3 18 17 A Y - 0 0 9 279,-2.2 2,-0.4 278,-0.2 21,-0.2 -0.612 38.0-177.0 -66.6 133.6 12.9 16.2 16.1 19 18 A V - 0 0 77 19,-2.0 21,-0.1 -2,-0.3 277,-0.1 -0.989 26.8-121.2-133.9 124.2 16.4 15.0 15.7 20 19 A A - 0 0 37 -2,-0.4 2,-0.2 275,-0.2 269,-0.1 -0.292 32.5-104.7 -63.1 146.3 18.9 17.1 13.7 21 20 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.513 34.5-137.8 -69.4 140.3 20.5 15.4 10.7 22 21 A G > - 0 0 24 -2,-0.2 3,-1.8 -3,-0.1 -3,-0.0 -0.450 32.6 -90.6 -90.5 169.5 24.2 14.4 11.2 23 22 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.758 125.7 45.9 -53.3 -33.1 27.0 14.8 8.6 24 23 A T T 3 S+ 0 0 107 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.462 89.3 105.5 -92.1 -4.1 26.4 11.4 7.0 25 24 A D < - 0 0 28 -3,-1.8 2,-0.5 262,-0.1 21,-0.2 -0.463 69.7-125.1 -75.2 149.1 22.6 11.7 6.8 26 25 A S - 0 0 1 19,-2.6 2,-0.3 -2,-0.1 -2,-0.1 -0.832 30.6-179.3 -95.8 129.4 21.0 12.4 3.4 27 26 A R - 0 0 1 -2,-0.5 71,-0.1 68,-0.1 103,-0.1 -0.858 15.4-130.8-127.0 164.7 18.6 15.3 3.0 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.471 26.1-113.2-102.9 173.4 16.6 16.7 0.1 29 28 A P S S+ 0 0 28 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.283 95.1 94.6 -82.0 7.7 16.0 20.1 -1.6 30 29 A C > - 0 0 38 1,-0.1 4,-2.1 65,-0.1 -2,-0.3 -0.900 65.1-156.3-109.5 120.5 12.4 19.7 -0.2 31 30 A P H > S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.761 95.8 53.1 -65.5 -26.0 11.5 21.3 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 44.3 -73.5 -52.5 8.6 18.7 3.6 33 32 A L H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 113.3 53.5 -57.0 -39.6 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 0.915 108.4 48.0 -66.6 -40.3 13.4 17.1 5.4 35 34 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 6,-0.2 0.913 112.4 50.1 -63.1 -43.9 11.0 17.7 8.2 36 35 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 6,-0.9 0.924 113.0 45.7 -59.3 -44.3 9.6 14.2 7.8 37 36 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.884 106.8 58.3 -67.7 -39.9 13.1 12.7 7.9 38 37 A N H 3<5S+ 0 0 1 -4,-2.4 -19,-2.0 1,-0.3 -1,-0.2 0.814 111.9 42.7 -60.0 -28.9 14.1 14.9 10.9 39 38 A H T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.439 113.9-117.4 -92.7 -4.4 11.2 13.3 12.8 40 39 A G T < 5S+ 0 0 34 -3,-1.2 -3,-0.2 -4,-0.4 4,-0.2 0.655 78.9 126.4 75.0 14.9 11.9 9.7 11.6 41 40 A Y S - 0 0 43 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.126 42.3-137.6 -50.5 134.4 14.1 7.2 7.6 44 43 A H T 3 S+ 0 0 50 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.792 105.0 56.4 -64.3 -26.5 16.2 9.6 9.6 45 44 A D T 3 S- 0 0 66 2,-0.2 -19,-2.6 -20,-0.1 -1,-0.3 0.546 108.3-126.9 -79.1 -5.8 19.2 8.8 7.4 46 45 A G < + 0 0 0 -3,-2.0 49,-1.5 1,-0.2 2,-0.3 0.731 67.3 119.4 68.7 25.9 17.3 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 -0.905 57.6 12.9-126.9 149.1 17.9 6.4 2.6 48 47 A A E S+ 0 0 60 45,-1.3 2,-0.5 44,-0.8 45,-0.2 0.955 73.3 176.2 62.2 62.1 16.0 3.4 1.1 49 48 A I E -A 92 0A 0 43,-1.8 43,-2.9 -3,-0.2 -1,-0.2 -0.862 17.5-148.9-112.5 123.0 12.5 4.9 1.2 50 49 A S > - 0 0 29 -2,-0.5 4,-1.9 41,-0.2 5,-0.2 -0.462 25.3-115.5 -85.9 161.9 9.4 3.2 -0.2 51 50 A R H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 116.5 50.5 -58.6 -46.1 6.3 4.8 -1.7 52 51 A E H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.873 105.9 55.9 -65.5 -34.4 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 0.937 112.2 43.6 -59.2 -45.2 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 0.928 113.2 51.1 -65.5 -47.4 6.2 8.4 2.0 55 54 A Q H X S+ 0 0 53 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.942 113.4 44.2 -56.2 -49.0 2.4 8.2 1.6 56 55 A N H X S+ 0 0 69 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.885 112.2 52.7 -65.6 -39.3 1.8 7.3 5.3 57 56 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.3 5,-0.5 0.945 113.1 43.0 -63.8 -46.9 4.2 9.9 6.6 58 57 A F H X S+ 0 0 19 -4,-2.6 6,-2.0 3,-0.2 4,-1.3 0.907 119.0 44.3 -63.7 -43.5 2.5 12.7 4.6 59 58 A L H X S+ 0 0 65 -4,-2.3 4,-0.8 -5,-0.3 -2,-0.2 0.957 121.7 34.4 -68.7 -49.7 -1.0 11.6 5.4 60 59 A N H < S+ 0 0 86 -4,-2.7 -46,-0.2 -5,-0.2 -1,-0.2 0.726 130.4 28.1 -84.1 -22.6 -0.6 10.8 9.1 61 60 A H H < S+ 0 0 26 -4,-1.9 -3,-0.2 -5,-0.3 -1,-0.2 0.587 130.5 28.9-116.9 -14.2 1.9 13.5 10.1 62 61 A M H < S- 0 0 3 -4,-1.3 -3,-0.2 -5,-0.5 -2,-0.1 0.418 94.8-118.3-125.8 -1.5 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 67.9 137.2 64.8 35.2 -2.4 16.2 6.7 64 63 A I B -b 233 0B 11 -6,-2.0 -1,-0.2 168,-0.3 -2,-0.2 -0.968 46.9-138.0-119.7 114.0 -1.4 15.7 3.0 65 64 A A >> - 0 0 4 168,-2.7 3,-1.4 -2,-0.5 4,-0.6 -0.211 24.7-105.8 -73.1 162.8 -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,-0.5 0.845 115.8 64.2 -57.4 -35.1 -2.0 10.5 -1.2 67 66 A S H >4 S+ 0 0 28 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.808 94.1 61.8 -59.4 -32.1 -3.4 12.3 -4.2 68 67 A V H <4 S+ 0 0 7 -3,-1.4 4,-0.3 165,-0.3 -1,-0.3 0.806 111.5 36.0 -65.0 -30.0 -1.2 15.3 -3.5 69 68 A I H S+ 0 0 58 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.903 114.3 57.5 -68.4 -39.3 3.1 12.8 -9.5 72 71 A A H > S+ 0 0 27 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.885 106.7 49.7 -57.6 -41.1 5.9 13.7 -7.0 73 72 A L H X S+ 0 0 16 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.944 110.4 49.7 -62.7 -48.2 6.4 10.0 -6.3 74 73 A T H X S+ 0 0 62 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.941 114.7 45.0 -52.8 -48.7 6.5 9.1 -10.0 75 74 A N H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.862 107.3 57.1 -71.2 -33.7 9.1 11.9 -10.6 76 75 A A H X S+ 0 0 9 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.920 110.7 44.6 -57.9 -44.8 11.2 11.0 -7.6 77 76 A F H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 11,-0.3 0.855 110.4 53.8 -74.0 -32.5 11.6 7.5 -8.9 78 77 A V H X S+ 0 0 40 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.929 111.5 46.4 -60.9 -46.0 12.3 8.7 -12.5 79 78 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.909 108.2 55.9 -66.8 -38.3 15.1 11.0 -11.1 80 79 A a H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-0.3 0.938 109.7 45.9 -57.8 -44.3 16.5 8.1 -9.0 81 80 A E H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.913 113.6 49.6 -64.6 -43.4 16.9 6.0 -12.1 82 81 A Y H < S+ 0 0 24 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.936 116.0 41.6 -59.8 -47.3 18.4 8.9 -14.1 83 82 A V H < S+ 0 0 31 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 124.3 34.5 -70.1 -42.1 20.9 9.7 -11.3 84 83 A T H < S- 0 0 59 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.706 99.3-127.4 -89.5 -21.6 21.9 6.1 -10.4 85 84 A G S < S+ 0 0 66 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.1 0.523 79.4 76.6 82.6 7.5 21.7 4.5 -13.9 86 85 A S S S- 0 0 72 -6,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 -0.995 91.6 -90.6-144.4 153.1 19.4 1.7 -12.7 87 86 A D - 0 0 116 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.381 30.2-154.9 -57.4 129.7 15.7 1.2 -11.8 88 87 A a > - 0 0 17 -11,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.304 18.1-159.3 -95.0 8.0 15.3 1.8 -8.1 89 88 A G T 3 - 0 0 40 1,-0.2 -1,-0.3 -12,-0.1 -8,-0.1 -0.268 65.0 -30.3 54.8-121.9 12.2 -0.3 -7.7 90 89 A D T 3 S+ 0 0 82 1,-0.1 2,-0.3 -40,-0.1 -1,-0.2 -0.157 121.9 85.4-121.8 38.1 10.3 0.7 -4.6 91 90 A S S < S- 0 0 55 -3,-2.2 -41,-0.2 -41,-0.1 2,-0.2 -0.799 70.4-146.4-138.2 92.9 13.4 1.8 -2.5 92 91 A L E -A 49 0A 2 -43,-2.9 -43,-1.8 -2,-0.3 -44,-0.8 -0.444 16.0-137.8 -60.7 125.4 14.3 5.4 -3.3 93 92 A V E - 0 0 69 -45,-0.2 -45,-1.3 -2,-0.2 2,-0.3 0.927 66.7 -34.4 -61.1 -50.5 18.1 5.3 -2.9 94 93 A N E -A 47 0A 35 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.2 -0.959 47.4-113.8-158.3 174.4 18.4 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 0.735 103.8 69.7 -81.6 -27.6 16.9 12.1 -0.6 96 95 A T G > S+ 0 0 23 1,-0.3 3,-2.3 -50,-0.3 -1,-0.1 0.860 86.7 64.9 -64.6 -36.5 20.0 13.9 -1.9 97 96 A L G > S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.702 83.7 76.9 -62.4 -17.2 19.7 12.8 -5.4 98 97 A L G < S+ 0 0 11 -3,-1.4 7,-0.6 1,-0.3 -1,-0.3 0.650 81.9 69.3 -67.5 -13.8 16.4 14.7 -5.6 99 98 A A G < + 0 0 1 -3,-2.3 -1,-0.3 -4,-0.2 184,-0.2 0.249 64.8 134.6 -86.6 13.1 18.6 17.8 -6.0 100 99 A E < > - 0 0 1 -3,-1.7 5,-0.6 182,-0.1 3,-0.5 -0.469 61.1-118.2 -57.1 122.9 19.7 16.7 -9.5 101 100 A P T 5S+ 0 0 0 0, 0.0 179,-0.2 0, 0.0 5,-0.1 -0.203 85.2 18.4 -76.7 162.1 19.4 20.0 -11.4 102 101 A H T 5S+ 0 0 59 1,-0.1 4,-0.2 3,-0.1 2,-0.1 0.865 115.6 75.9 49.9 44.7 17.1 20.8 -14.4 103 102 A A T 5S- 0 0 8 2,-2.2 -1,-0.1 -3,-0.5 -5,-0.1 0.066 120.3 -29.2-141.9-110.4 15.1 17.7 -13.4 104 103 A F T 5S+ 0 0 40 -4,-0.4 -5,-0.1 -6,-0.1 -2,-0.1 0.898 131.5 69.0 -82.3 -49.8 12.6 17.7 -10.4 105 104 A E S - 0 0 0 1,-0.1 3,-2.0 -2,-0.1 12,-0.2 -0.521 30.3-109.3 -82.3 154.7 20.5 27.8 -8.2 115 114 A Y T 3 S+ 0 0 6 1,-0.3 11,-2.2 -2,-0.2 -1,-0.1 0.809 119.5 25.8 -54.0 -37.3 23.0 25.2 -9.2 116 115 A K T > S+ 0 0 21 9,-0.2 54,-2.4 54,-0.1 3,-0.9 -0.043 87.1 146.7-117.6 33.7 25.0 27.8 -11.2 117 116 A Q B < S-C 169 0C 23 -3,-2.0 52,-0.3 52,-0.2 48,-0.1 -0.547 78.1 -13.0 -71.3 122.3 24.0 30.9 -9.3 118 117 A G T 3 S+ 0 0 59 50,-2.5 -1,-0.2 -2,-0.4 2,-0.2 0.581 89.0 157.0 69.7 14.2 26.7 33.5 -9.2 119 118 A V < - 0 0 20 -3,-0.9 -1,-0.2 1,-0.2 -3,-0.0 -0.524 38.6-150.1 -79.3 136.9 29.5 31.2 -10.4 120 119 A A S S+ 0 0 88 -2,-0.2 2,-0.3 50,-0.1 -1,-0.2 0.803 81.2 45.1 -71.4 -30.8 32.4 32.9 -12.0 121 120 A N S > S- 0 0 103 1,-0.1 3,-1.2 49,-0.0 49,-0.1 -0.903 80.1-125.3-124.3 150.6 33.1 30.0 -14.3 122 121 A S T 3 S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.740 104.6 48.5 -66.9 -34.9 30.9 27.8 -16.4 123 122 A N T 3 S+ 0 0 141 2,-0.0 -1,-0.3 -7,-0.0 2,-0.1 0.504 93.7 101.4 -84.3 -5.6 31.8 24.2 -15.2 124 123 A D < - 0 0 80 -3,-1.2 2,-0.3 -8,-0.1 -5,-0.1 -0.356 48.5-178.4 -81.0 157.3 31.4 25.3 -11.6 125 124 A F - 0 0 72 -2,-0.1 2,-0.2 -9,-0.1 -9,-0.2 -0.977 8.2-155.2-151.6 161.6 28.3 24.6 -9.4 126 125 A I - 0 0 52 -11,-2.2 2,-0.9 -2,-0.3 157,-0.2 -0.732 43.5 -61.6-131.9 177.2 27.1 25.3 -5.9 127 126 A D + 0 0 37 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.545 48.4 164.6 -70.1 103.9 24.8 23.9 -3.2 128 127 A N + 0 0 0 -2,-0.9 -1,-0.2 -29,-0.1 -13,-0.1 0.068 68.6 60.2 -99.3 18.3 21.3 24.1 -4.8 129 128 A R S S+ 0 0 6 -15,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.776 81.6 74.5-119.2 -48.2 19.9 21.7 -2.1 130 129 A N S S- 0 0 15 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.450 90.9 -90.4 -77.5 149.1 20.2 23.1 1.4 131 130 A F - 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0 0 57 -54,-2.4 3,-2.4 1,-0.1 4,-0.6 -0.280 64.2 -85.0 -52.2 133.4 25.7 31.9 -15.1 171 170 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.193 115.4 17.1 -51.1 130.5 24.6 32.9 -18.6 172 171 A G T 34 S+ 0 0 86 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.107 104.7 89.4 95.1 -20.0 22.7 30.1 -20.3 173 172 A W T <4 + 0 0 17 -3,-2.4 -66,-0.1 -57,-0.1 -58,-0.1 0.932 57.0 98.4 -73.5 -49.2 21.9 28.2 -17.1 174 173 A F < + 0 0 29 -4,-0.6 2,-0.4 -9,-0.2 -2,-0.1 -0.151 46.6 176.4 -52.9 128.7 18.6 29.7 -16.1 175 174 A T - 0 0 71 83,-0.0 -68,-0.6 2,-0.0 2,-0.1 -0.988 27.8-126.0-136.0 119.5 15.6 27.7 -17.1 176 175 A E - 0 0 58 -2,-0.4 -68,-0.1 1,-0.1 -14,-0.0 -0.451 23.3-176.7 -69.4 142.5 12.1 28.7 -16.1 177 176 A S > + 0 0 21 -70,-0.2 4,-2.3 -2,-0.1 5,-0.3 -0.467 19.4 153.0-137.6 57.9 10.0 26.0 -14.3 178 177 A K H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 70.9 55.9 -58.4 -43.4 6.6 27.5 -13.7 179 178 A P H > S+ 0 0 38 0, 0.0 4,-1.2 0, 0.0 89,-0.3 0.935 114.8 35.4 -60.8 -46.8 4.7 24.1 -13.7 180 179 A I H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.939 117.9 51.6 -72.1 -45.5 6.8 22.5 -10.9 181 180 A Q H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.903 109.4 50.0 -57.3 -41.9 7.3 25.6 -8.9 182 181 A N H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.756 103.1 57.6 -83.2 -15.5 3.6 26.5 -8.8 183 182 A V H X S+ 0 0 30 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.938 109.3 48.9 -60.2 -46.6 2.6 23.0 -7.7 184 183 A E H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -2,-0.3 0.865 105.9 55.6 -63.2 -35.3 5.0 23.9 -4.8 185 184 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.940 109.0 48.0 -56.5 -46.2 3.2 27.3 -4.4 186 185 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.884 107.0 56.1 -60.3 -39.0 -0.0 25.2 -4.0 187 186 A F H X S+ 0 0 58 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.878 105.4 52.3 -58.6 -41.2 1.8 23.0 -1.5 188 187 A I H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.952 111.3 45.7 -63.2 -48.6 2.6 26.1 0.6 189 188 A F H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.891 113.0 52.5 -59.4 -38.6 -1.1 27.1 0.6 190 189 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 119.4 32.0 -64.9 -41.3 -2.1 23.5 1.4 191 190 A L H < S+ 0 0 5 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.904 131.2 22.8 -85.6 -44.8 0.2 23.2 4.4 192 191 A V H < S+ 0 0 0 -4,-2.6 15,-2.4 -5,-0.2 19,-0.2 0.127 81.0 123.6-124.5 22.4 0.5 26.6 6.0 193 192 A S B < S-E 206 0D 0 -4,-1.1 2,-1.4 13,-0.3 13,-0.3 -0.501 77.4 -94.9 -72.3 155.7 -2.6 28.6 5.0 194 193 A D > + 0 0 11 11,-2.7 3,-1.7 1,-0.2 11,-0.2 -0.560 41.5 179.9 -85.9 93.2 -4.5 29.9 8.0 195 194 A F T 3 S+ 0 0 39 -2,-1.4 -1,-0.2 1,-0.3 5,-0.1 0.517 74.3 74.7 -70.4 -5.5 -7.3 27.3 8.6 196 195 A N T 3 S+ 0 0 109 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.585 77.6 89.2 -82.9 -8.7 -8.5 29.4 11.6 197 196 A L S X S- 0 0 54 -3,-1.7 3,-1.6 8,-0.1 8,-0.0 -0.699 86.6-124.7 -87.1 142.7 -10.1 31.9 9.2 198 197 A P T 3 S+ 0 0 140 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.749 106.6 44.1 -61.4 -25.9 -13.7 31.1 8.2 199 198 A D T 3> S+ 0 0 68 1,-0.2 4,-2.9 4,-0.1 3,-0.5 0.023 74.7 123.3-108.1 24.7 -13.0 31.1 4.4 200 199 A N T <4 + 0 0 7 -3,-1.6 -1,-0.2 1,-0.2 -5,-0.1 0.888 68.7 54.2 -56.9 -46.0 -9.7 29.1 4.4 201 200 A D T 4 S+ 0 0 104 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.853 123.1 27.1 -64.3 -32.8 -10.8 26.3 2.1 202 201 A E T 4 S+ 0 0 168 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.730 135.5 26.9 -98.3 -28.9 -11.9 28.7 -0.7 203 202 A N S < S- 0 0 75 -4,-2.9 -1,-0.2 2,-0.0 -2,-0.2 -0.543 81.5-170.4-134.0 65.4 -9.7 31.8 -0.1 204 203 A P - 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