==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-MAR-08 3CHF . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR O.A.ANDERSEN,D.M.F.VAN AALTEN . 797 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 60 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 4 4 2 1 0 2 2 0 2 0 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 6 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 PARALLEL BRIDGES PER LADDER . 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 2 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 39 A A 0 0 132 0, 0.0 2,-0.3 0, 0.0 374,-0.2 0.000 360.0 360.0 360.0 109.2 76.4 53.9 17.2 2 40 A S B -A 374 0A 71 372,-1.9 372,-3.0 370,-0.1 0, 0.0 -0.987 360.0-103.3-159.6 152.7 77.1 57.4 18.6 3 41 A S + 0 0 112 -2,-0.3 2,-0.3 370,-0.2 371,-0.0 -0.224 56.9 116.1 -72.5 169.3 77.9 61.0 17.4 4 42 A G - 0 0 30 248,-0.1 368,-0.2 369,-0.1 369,-0.1 -0.949 62.8 -33.0 157.0-171.1 81.4 62.4 17.6 5 43 A Y B -b 372 0B 41 366,-2.2 368,-3.0 -2,-0.3 2,-0.3 -0.386 49.9-136.8 -76.9 151.7 84.2 63.7 15.4 6 44 A R E -c 342 0C 22 335,-2.0 337,-2.3 366,-0.2 2,-0.5 -0.819 5.9-157.3-105.5 151.1 85.0 62.3 12.0 7 45 A S E +c 343 0C 2 -2,-0.3 25,-3.3 335,-0.2 26,-2.2 -0.931 25.3 177.7-130.9 102.9 88.5 61.6 10.7 8 46 A V E +cd 344 33C 0 335,-2.5 337,-1.7 -2,-0.5 2,-0.4 -0.846 10.7 178.2-115.4 136.5 88.4 61.6 6.9 9 47 A V E -cd 345 34C 0 24,-2.1 26,-3.1 -2,-0.4 2,-0.5 -1.000 24.6-131.1-141.6 144.8 91.1 61.2 4.3 10 48 A Y E - d 0 35C 0 335,-2.2 338,-2.9 -2,-0.4 2,-0.6 -0.788 16.1-164.4 -89.5 131.5 91.2 61.2 0.6 11 49 A F E - d 0 36C 0 24,-2.5 26,-2.6 -2,-0.5 2,-0.4 -0.978 12.1-151.3-113.0 117.6 93.1 58.3 -1.0 12 50 A V E > - d 0 37C 0 -2,-0.6 3,-2.1 24,-0.2 4,-0.2 -0.755 12.1-136.5 -92.3 133.2 93.9 59.0 -4.7 13 51 A N G > S+ 0 0 7 24,-3.2 3,-1.0 -2,-0.4 25,-0.1 0.743 101.1 62.4 -66.3 -18.8 94.1 56.0 -6.8 14 52 A W G > S+ 0 0 96 23,-0.3 3,-1.4 1,-0.2 5,-0.5 0.456 79.5 89.5 -80.2 -0.3 97.2 57.2 -8.7 15 53 A A G < S+ 0 0 0 -3,-2.1 6,-3.0 1,-0.3 -1,-0.2 0.720 74.0 69.6 -65.5 -22.0 99.1 57.2 -5.3 16 54 A I G < S+ 0 0 9 -3,-1.0 -1,-0.3 4,-0.2 -2,-0.1 0.613 97.0 56.3 -72.4 -11.9 100.0 53.5 -6.1 17 55 A Y S X S- 0 0 96 -3,-1.4 3,-1.6 4,-0.1 -2,-0.1 0.693 124.0 -6.1 -86.9-110.4 102.3 54.6 -8.9 18 56 A G T 3 S+ 0 0 55 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.845 135.2 54.1 -55.4 -38.4 105.2 57.1 -8.3 19 57 A R T 3 S- 0 0 48 -5,-0.5 -1,-0.3 2,-0.1 -3,-0.1 0.647 95.0-147.3 -71.4 -14.3 104.2 57.8 -4.7 20 58 A N < + 0 0 123 -3,-1.6 2,-0.5 1,-0.2 -4,-0.2 0.858 46.6 144.7 48.8 42.5 104.3 54.0 -4.1 21 59 A H - 0 0 17 -6,-3.0 -1,-0.2 -7,-0.1 -2,-0.1 -0.950 25.0-178.4-116.9 126.2 101.4 54.4 -1.6 22 60 A N > - 0 0 15 -2,-0.5 3,-2.5 -3,-0.1 4,-0.4 -0.780 42.5-101.9-122.5 163.9 98.7 51.7 -1.2 23 61 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.853 117.4 65.6 -53.4 -34.5 95.5 51.2 0.8 24 62 A Q G 3 S+ 0 0 76 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.696 95.1 60.1 -61.5 -19.0 97.4 48.9 3.2 25 63 A D G < S+ 0 0 93 -3,-2.5 -1,-0.3 2,-0.1 -4,-0.0 0.583 79.8 112.5 -83.7 -12.8 99.5 52.0 4.3 26 64 A L S < S- 0 0 9 -3,-2.1 2,-2.1 -4,-0.4 3,-0.2 -0.329 76.8-122.9 -63.5 143.2 96.4 53.9 5.5 27 65 A P > + 0 0 30 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.422 43.2 170.1 -83.0 65.6 96.2 54.5 9.3 28 66 A V G > + 0 0 16 -2,-2.1 3,-1.1 1,-0.3 -2,-0.0 0.730 66.9 60.8 -55.7 -26.1 92.8 52.8 9.4 29 67 A E G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.2 -3,-0.0 0.727 108.0 46.2 -75.4 -14.5 92.6 52.6 13.2 30 68 A R G < S+ 0 0 87 -3,-2.4 2,-0.3 338,-0.0 -1,-0.2 0.177 104.4 77.2-108.8 17.0 92.7 56.5 13.3 31 69 A L < - 0 0 0 -3,-1.1 -23,-0.2 -4,-0.1 3,-0.1 -0.923 46.0-174.0-128.1 151.7 90.2 57.1 10.5 32 70 A T S S+ 0 0 0 -25,-3.3 59,-2.8 -2,-0.3 2,-0.4 0.610 81.1 27.4-110.5 -26.9 86.4 57.0 10.3 33 71 A H E -de 8 91C 0 -26,-2.2 -24,-2.1 57,-0.2 2,-0.5 -0.987 54.3-167.2-143.5 134.4 86.2 57.6 6.5 34 72 A V E -de 9 92C 0 57,-2.7 59,-2.8 -2,-0.4 2,-0.7 -0.969 15.1-154.8-113.5 126.4 88.4 56.9 3.4 35 73 A L E -de 10 93C 0 -26,-3.1 -24,-2.5 -2,-0.5 2,-0.7 -0.898 10.1-147.0-105.3 112.3 87.3 58.8 0.3 36 74 A Y E -de 11 94C 1 57,-3.3 59,-3.0 -2,-0.7 2,-0.3 -0.678 30.4-115.5 -83.1 113.9 88.6 56.9 -2.8 37 75 A A E +de 12 95C 0 -26,-2.6 -24,-3.2 -2,-0.7 -23,-0.3 -0.832 58.8 0.0-112.7 143.5 89.3 59.4 -5.6 38 76 A F E + 0 0 17 57,-0.6 13,-0.5 -2,-0.3 58,-0.2 0.546 37.4 169.7-135.1 141.9 88.3 60.0 -8.3 39 77 A A E - e 0 96C 0 56,-2.4 58,-2.5 -3,-0.3 11,-0.2 -0.586 34.4-137.9 -85.7 155.5 85.5 58.5 -10.5 40 78 A N E -K 49 0D 14 9,-3.2 9,-2.5 -2,-0.2 2,-0.4 -0.570 7.0-131.6-108.4 177.8 84.7 60.6 -13.6 41 79 A V E -K 48 0D 1 7,-0.2 7,-0.2 60,-0.2 6,-0.1 -0.998 12.6-127.4-136.2 132.1 81.4 61.6 -15.2 42 80 A R > - 0 0 114 5,-2.7 4,-3.1 -2,-0.4 5,-0.3 -0.687 19.6-151.9 -77.2 116.0 80.2 61.4 -18.9 43 81 A P T 4 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 71,-0.0 0.803 91.5 47.4 -61.7 -27.2 78.9 64.9 -19.6 44 82 A E T 4 S+ 0 0 168 1,-0.1 70,-0.1 3,-0.1 -2,-0.0 0.820 128.2 20.7 -85.7 -27.7 76.4 63.7 -22.2 45 83 A T T 4 S- 0 0 68 -3,-0.3 72,-0.2 2,-0.1 3,-0.1 0.572 91.8-123.7-116.0 -15.0 74.9 60.9 -20.2 46 84 A G < + 0 0 0 -4,-3.1 2,-0.2 1,-0.3 75,-0.1 0.500 54.0 159.5 80.8 3.3 75.6 61.6 -16.6 47 85 A E - 0 0 77 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.4 -0.406 32.5-147.1 -65.3 129.2 77.3 58.1 -16.3 48 86 A V E +K 41 0D 3 69,-0.4 2,-0.3 70,-0.3 -7,-0.2 -0.824 30.1 168.2 -94.6 131.3 79.7 57.9 -13.4 49 87 A Y E -K 40 0D 43 -9,-2.5 -9,-3.2 -2,-0.4 2,-0.3 -0.991 37.8-109.6-148.3 157.7 82.7 55.6 -14.1 50 88 A M - 0 0 42 -2,-0.3 3,-0.2 -11,-0.2 -11,-0.1 -0.670 21.6-161.6 -86.7 137.4 86.1 54.5 -12.9 51 89 A T S S+ 0 0 56 -13,-0.5 2,-0.5 -2,-0.3 -1,-0.1 0.698 76.1 45.3 -93.7 -22.5 89.1 55.7 -15.0 52 90 A D > + 0 0 37 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 -0.778 55.3 174.1-127.0 88.9 92.0 53.4 -14.0 53 91 A S H >>S+ 0 0 59 -2,-0.5 4,-2.8 2,-0.2 5,-1.5 0.827 80.2 57.5 -65.6 -31.4 90.8 49.7 -14.0 54 92 A W H >>S+ 0 0 113 3,-0.2 5,-2.6 2,-0.2 4,-0.8 0.979 113.3 38.6 -63.0 -51.3 94.4 48.5 -13.3 55 93 A A H 45S+ 0 0 0 3,-0.2 21,-2.7 1,-0.2 -2,-0.2 0.911 122.6 44.2 -64.0 -42.6 94.7 50.5 -10.2 56 94 A D H <5S- 0 0 3 -4,-2.6 21,-2.3 19,-0.2 22,-0.4 0.933 136.8 -8.3 -70.5 -48.6 91.1 49.9 -9.1 57 95 A I H <5S+ 0 0 41 -4,-2.8 17,-2.2 18,-0.2 18,-0.2 0.540 123.1 56.0-132.9 -6.9 90.6 46.2 -9.7 58 96 A E T << + 0 0 89 -5,-1.5 -4,-0.2 -4,-0.8 -3,-0.2 0.761 68.6 106.9-103.2 -28.4 93.4 44.5 -11.6 59 97 A K < - 0 0 32 -5,-2.6 16,-2.7 -6,-0.3 2,-0.7 -0.272 59.2-145.6 -56.7 131.0 96.6 45.1 -9.6 60 98 A H - 0 0 43 14,-0.2 -1,-0.1 4,-0.1 -2,-0.1 -0.876 9.7-158.1-101.6 116.3 97.7 41.9 -7.8 61 99 A Y > - 0 0 15 -2,-0.7 3,-2.6 14,-0.1 14,-0.0 -0.428 44.8 -86.3 -80.7 167.3 99.3 42.5 -4.5 62 100 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.793 129.4 51.7 -45.0 -33.5 101.6 39.8 -3.1 63 101 A G T 3 S+ 0 0 64 2,-0.1 2,-0.5 0, 0.0 -3,-0.0 0.237 87.4 105.0 -91.4 16.0 98.6 38.0 -1.6 64 102 A D < - 0 0 12 -3,-2.6 2,-0.1 1,-0.0 10,-0.1 -0.838 66.3-125.3-104.3 132.7 96.3 37.9 -4.7 65 103 A S - 0 0 30 -2,-0.5 -2,-0.1 330,-0.4 -4,-0.0 -0.400 13.0-165.8 -74.7 141.2 95.7 34.8 -6.8 66 104 A W S S+ 0 0 210 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.590 89.3 41.6 -96.0 -15.2 96.3 34.6 -10.5 67 105 A S S S+ 0 0 102 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.365 73.2 124.6-117.4 5.1 94.3 31.4 -11.0 68 106 A D - 0 0 76 1,-0.1 4,-0.2 2,-0.0 2,-0.1 -0.447 60.3-125.1 -64.8 139.0 91.2 31.6 -8.9 69 107 A T + 0 0 132 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.430 65.9 51.6 -82.3 163.6 88.1 31.0 -11.1 70 108 A G S S- 0 0 51 -2,-0.1 2,-1.0 317,-0.1 316,-0.1 -0.457 99.2 -56.1 106.3 175.4 85.3 33.5 -11.2 71 109 A N + 0 0 73 314,-0.2 316,-1.8 -2,-0.1 317,-0.4 -0.842 69.9 179.1 -97.6 93.9 84.9 37.3 -11.8 72 110 A N - 0 0 26 -2,-1.0 2,-0.4 314,-0.2 -2,-0.1 -0.762 25.2-141.9-108.8 147.2 87.2 38.6 -9.0 73 111 A V + 0 0 0 -2,-0.3 -15,-0.1 1,-0.1 2,-0.1 -0.848 30.8 152.3-103.6 135.7 88.2 42.1 -7.9 74 112 A Y > + 0 0 20 -17,-2.2 4,-2.2 -2,-0.4 3,-0.3 -0.096 34.2 79.0-127.8-127.8 91.7 42.9 -6.8 75 113 A G H > S- 0 0 0 -16,-2.7 4,-1.3 -18,-0.2 -19,-0.2 -0.018 111.5 -33.2 51.7-158.0 93.6 46.2 -7.0 76 114 A C H > S+ 0 0 0 -21,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.841 135.0 64.4 -62.8 -33.9 92.9 49.0 -4.5 77 115 A I H > S+ 0 0 1 -21,-2.3 4,-2.1 -3,-0.3 -1,-0.2 0.905 101.2 47.3 -60.2 -46.5 89.2 47.9 -4.1 78 116 A K H X S+ 0 0 4 -4,-2.2 4,-2.3 -22,-0.4 -1,-0.2 0.920 112.8 50.4 -62.2 -42.2 90.0 44.5 -2.7 79 117 A Q H X S+ 0 0 21 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.875 109.0 51.0 -64.6 -35.8 92.5 46.0 -0.2 80 118 A L H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.902 109.0 50.7 -68.8 -40.0 90.0 48.7 0.9 81 119 A Y H X S+ 0 0 2 -4,-2.1 4,-1.0 1,-0.2 3,-0.3 0.933 108.7 52.4 -63.1 -43.1 87.3 46.0 1.6 82 120 A L H >X S+ 0 0 49 -4,-2.3 4,-1.0 1,-0.2 3,-0.7 0.901 106.6 53.0 -59.9 -38.1 89.8 44.0 3.6 83 121 A L H 3X S+ 0 0 19 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.838 99.7 63.4 -64.8 -30.7 90.5 47.1 5.7 84 122 A K H 3< S+ 0 0 1 -4,-1.5 6,-0.3 -3,-0.3 -1,-0.2 0.821 102.4 49.9 -65.8 -25.4 86.8 47.4 6.3 85 123 A K H << S+ 0 0 13 -4,-1.0 3,-0.3 -3,-0.7 -1,-0.2 0.772 107.3 54.7 -81.2 -23.6 87.0 44.1 8.1 86 124 A Q H < S+ 0 0 119 -4,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.849 122.7 24.3 -75.9 -35.4 89.9 45.4 10.2 87 125 A N >< - 0 0 21 -4,-1.9 3,-2.1 3,-0.1 -1,-0.3 -0.900 64.8-168.0-134.4 103.3 88.0 48.4 11.5 88 126 A R T 3 S+ 0 0 60 -2,-0.4 289,-2.7 1,-0.3 -1,-0.1 0.623 91.0 59.5 -67.1 -12.9 84.3 48.0 11.5 89 127 A N T 3 S+ 0 0 15 287,-0.2 2,-0.7 -58,-0.1 -1,-0.3 0.410 83.0 101.4 -94.1 2.4 84.0 51.8 12.1 90 128 A L < - 0 0 0 -3,-2.1 2,-0.4 -6,-0.3 -57,-0.2 -0.792 54.8-167.3 -91.1 112.3 85.9 52.5 8.8 91 129 A K E -e 33 0C 4 -59,-2.8 -57,-2.7 -2,-0.7 2,-0.5 -0.797 6.3-154.0 -98.2 141.8 83.6 53.6 5.9 92 130 A V E -e 34 0C 2 -2,-0.4 40,-3.2 -59,-0.2 41,-0.6 -0.967 14.0-172.6-118.6 119.1 85.0 53.8 2.4 93 131 A L E -ef 35 133C 0 -59,-2.8 -57,-3.3 -2,-0.5 2,-0.5 -0.785 25.0-124.2-110.4 153.1 83.3 56.2 -0.0 94 132 A L E -ef 36 134C 0 39,-2.0 41,-2.9 -2,-0.3 2,-0.5 -0.846 26.1-147.7 -92.4 125.3 83.7 56.6 -3.8 95 133 A S E -ef 37 135C 0 -59,-3.0 -56,-2.4 -2,-0.5 -57,-0.6 -0.860 11.2-159.3 -97.9 129.9 84.6 60.3 -4.5 96 134 A I E +ef 39 136C 0 39,-3.3 41,-3.1 -2,-0.5 2,-0.5 -0.919 54.8 6.5-112.4 125.5 83.3 61.5 -7.8 97 135 A G E > - f 0 137C 1 -58,-2.5 4,-0.5 -2,-0.5 41,-0.2 -0.923 55.8-179.8 118.5-122.7 84.8 64.6 -9.5 98 136 A G H > - 0 0 1 39,-2.9 4,-1.6 -2,-0.5 41,-0.4 -0.161 56.9 -64.1 94.0 165.1 87.8 66.5 -8.4 99 137 A W H 4 S+ 0 0 63 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.913 131.5 47.7 -53.5 -51.1 89.3 69.5 -10.1 100 138 A T H 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.909 118.3 38.4 -61.8 -44.3 90.3 67.8 -13.4 101 139 A Y H >< S+ 0 0 60 -4,-0.5 3,-2.2 1,-0.2 4,-0.2 0.615 88.8 96.6 -84.7 -10.3 87.0 66.1 -14.0 102 140 A S G >X + 0 0 6 -4,-1.6 3,-1.6 -3,-0.3 4,-0.6 0.693 65.0 74.1 -55.6 -24.2 84.7 68.9 -12.7 103 141 A P G 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.775 92.1 61.8 -61.9 -18.5 83.9 70.4 -16.2 104 142 A N G <> S+ 0 0 35 -3,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.678 86.8 72.8 -79.7 -15.9 81.7 67.4 -16.7 105 143 A F H <> S+ 0 0 1 -3,-1.6 4,-3.1 -4,-0.2 5,-0.2 0.944 88.3 55.8 -65.0 -52.4 79.3 68.1 -13.8 106 144 A A H X S+ 0 0 22 -4,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.913 115.2 37.8 -50.8 -51.5 77.3 71.0 -15.2 107 145 A P H >4 S+ 0 0 50 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.958 116.2 52.0 -68.7 -44.6 76.2 69.2 -18.4 108 146 A A H >< S+ 0 0 3 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.897 115.8 40.9 -55.5 -43.7 75.7 65.8 -16.7 109 147 A A H 3< S+ 0 0 1 -4,-3.1 -1,-0.3 1,-0.2 -3,-0.1 0.533 92.0 89.1 -83.6 -5.3 73.5 67.4 -14.0 110 148 A S T << S+ 0 0 62 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.654 87.3 49.5 -68.8 -16.8 71.6 69.7 -16.4 111 149 A T S <> S- 0 0 71 -3,-0.6 4,-3.1 -4,-0.4 5,-0.2 -0.916 77.1-125.8-128.1 156.5 68.9 67.1 -17.2 112 150 A D H > S+ 0 0 71 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.908 114.0 47.8 -58.4 -47.5 66.6 64.8 -15.4 113 151 A A H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 113.1 50.2 -61.8 -42.2 67.8 61.7 -17.4 114 152 A G H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 111.6 46.2 -60.4 -50.6 71.4 62.8 -16.7 115 153 A R H X S+ 0 0 27 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.904 115.0 48.2 -60.9 -41.3 70.9 63.2 -12.9 116 154 A K H X S+ 0 0 102 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.873 111.9 47.8 -68.6 -36.6 69.0 59.9 -12.7 117 155 A N H X S+ 0 0 51 -4,-2.4 4,-2.9 2,-0.2 -69,-0.4 0.845 108.2 56.1 -72.0 -34.1 71.7 58.0 -14.7 118 156 A F H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.966 111.3 44.7 -57.6 -52.4 74.4 59.6 -12.5 119 157 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.912 115.0 47.5 -59.1 -47.8 72.6 58.2 -9.5 120 158 A K H X S+ 0 0 160 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.907 115.2 42.7 -63.3 -46.4 72.0 54.8 -11.0 121 159 A T H X S+ 0 0 26 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.865 113.9 52.0 -71.2 -34.5 75.6 54.2 -12.3 122 160 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.910 110.6 47.8 -68.4 -40.1 77.2 55.5 -9.1 123 161 A V H X S+ 0 0 10 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.838 106.8 57.4 -69.3 -30.3 75.1 53.1 -7.0 124 162 A K H X S+ 0 0 93 -4,-1.5 4,-1.7 2,-0.2 5,-0.2 0.932 106.8 48.7 -65.2 -42.3 76.0 50.3 -9.3 125 163 A L H X S+ 0 0 28 -4,-1.9 4,-3.1 1,-0.2 3,-0.3 0.953 111.3 51.5 -60.7 -44.8 79.7 51.0 -8.6 126 164 A L H X>S+ 0 0 0 -4,-2.1 5,-1.2 1,-0.2 4,-1.1 0.926 109.7 48.1 -56.9 -45.3 78.8 51.0 -4.9 127 165 A Q H <5S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 256,-0.2 0.782 119.6 38.2 -69.4 -26.7 77.0 47.7 -5.0 128 166 A D H <5S+ 0 0 6 -4,-1.7 258,-0.3 -3,-0.3 -2,-0.2 0.854 120.7 40.7 -88.8 -42.8 79.8 46.0 -6.9 129 167 A L H <5S- 0 0 10 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.398 107.2-113.8 -91.5 1.1 82.9 47.5 -5.3 130 168 A G T <5 + 0 0 2 -4,-1.1 -38,-0.2 -5,-0.2 2,-0.2 0.867 52.7 164.4 73.1 41.0 81.8 47.5 -1.6 131 169 A F < - 0 0 2 -5,-1.2 -38,-0.2 -6,-0.2 -1,-0.2 -0.513 37.7-146.9 -90.2 160.5 81.5 51.2 -0.8 132 170 A D S S- 0 0 3 -40,-3.2 43,-2.6 1,-0.2 2,-0.3 0.384 73.8 -38.8-100.7 -2.5 79.6 52.8 2.2 133 171 A G E -fg 93 175C 0 -41,-0.6 -39,-2.0 41,-0.3 2,-0.3 -0.989 63.0 -86.6 167.6-169.4 78.6 55.9 0.3 134 172 A L E -fg 94 176C 0 41,-2.5 43,-2.2 -2,-0.3 2,-0.4 -0.980 18.0-156.9-135.9 144.5 79.5 58.5 -2.2 135 173 A D E -fg 95 177C 0 -41,-2.9 -39,-3.3 -2,-0.3 2,-0.6 -0.975 12.2-151.3-120.1 132.2 81.3 61.9 -2.0 136 174 A I E -fg 96 178C 0 41,-2.3 43,-1.9 -2,-0.4 2,-0.6 -0.925 11.1-175.2-109.5 122.4 80.7 64.5 -4.8 137 175 A D E +f 97 0C 0 -41,-3.1 -39,-2.9 -2,-0.6 2,-0.7 -0.769 11.0 169.7-120.5 83.6 83.5 66.9 -5.4 138 176 A W - 0 0 8 -2,-0.6 2,-0.6 41,-0.4 -39,-0.1 -0.873 26.9-142.5-100.8 113.3 82.3 69.5 -8.0 139 177 A E S S- 0 0 11 -2,-0.7 -37,-0.1 -41,-0.4 -34,-0.0 -0.830 72.6 -17.9-117.9 91.8 84.7 72.4 -8.4 140 178 A Y - 0 0 39 -2,-0.6 -1,-0.3 1,-0.1 40,-0.0 0.634 44.9-143.7-151.3 154.7 82.6 74.4 -8.7 141 179 A P - 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0 0 3 -289,-3.2 2,-0.5 -293,-0.2 -286,-0.1 -0.214 26.0-101.3 -80.4-179.0 85.1 14.3 20.3 774 416 B E + 0 0 24 1,-0.1 -1,-0.1 -248,-0.1 -294,-0.0 -0.931 37.6 169.7-108.1 127.0 88.0 16.6 19.1 775 417 B L + 0 0 38 -2,-0.5 2,-0.6 1,-0.0 13,-0.2 0.586 54.1 86.7-109.2 -14.7 87.5 20.3 19.0 776 418 B D + 0 0 86 -211,-0.1 10,-0.1 11,-0.1 11,-0.1 -0.784 38.6 166.3 -97.1 121.7 91.1 21.5 18.4 777 419 B Y > + 0 0 0 -2,-0.6 3,-1.4 9,-0.3 11,-0.1 -0.756 7.4 175.2-130.4 77.8 92.3 21.8 14.8 778 420 B P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -213,-0.1 0.650 77.2 42.5 -59.5 -24.9 95.5 23.8 15.2 779 421 B V T 3 S+ 0 0 58 -256,-0.2 2,-0.1 -215,-0.1 -256,-0.1 0.132 78.8 134.8-113.2 21.6 96.6 23.6 11.6 780 422 B S < - 0 0 3 -3,-1.4 -256,-0.2 1,-0.2 6,-0.1 -0.458 55.9-138.7 -66.8 140.8 93.3 24.2 9.9 781 423 B Q S S+ 0 0 85 -2,-0.1 2,-0.7 5,-0.0 -314,-0.3 0.604 83.3 88.9 -75.8 -11.4 93.5 26.6 7.0 782 424 B Y > - 0 0 27 -258,-0.3 4,-2.8 1,-0.2 5,-0.3 -0.808 66.1-156.7 -95.5 118.8 90.3 28.1 8.2 783 425 B D H > S+ 0 0 41 -316,-2.4 4,-1.8 -2,-0.7 6,-0.2 0.888 90.7 51.6 -57.1 -46.7 90.7 30.9 10.8 784 426 B N H 4>S+ 0 0 15 -317,-0.5 5,-2.9 2,-0.2 6,-0.3 0.933 116.3 38.6 -62.6 -42.3 87.2 30.5 12.3 785 427 B L H >45S+ 0 0 0 3,-0.2 3,-2.6 1,-0.2 -8,-0.3 0.931 111.8 56.4 -73.9 -43.2 87.4 26.8 12.9 786 428 B R H 3<5S+ 0 0 74 -4,-2.8 -9,-0.3 1,-0.3 -1,-0.2 0.866 109.0 50.8 -54.4 -35.3 91.1 26.8 14.0 787 429 B N T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.186 127.1 -99.1 -90.8 17.1 90.0 29.3 16.6 788 430 B G T < 5 - 0 0 14 -3,-2.6 -3,-0.2 -13,-0.2 -2,-0.1 0.658 58.1 -81.2 79.8 15.0 87.1 27.1 17.9 789 431 B M < 0 0 5 -5,-2.9 -1,-0.2 -6,-0.2 -4,-0.1 0.965 360.0 360.0 54.7 65.0 84.3 28.8 16.0 790 432 B Q 0 0 186 -6,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.364 360.0 360.0 -77.6 360.0 83.6 31.8 18.3 791 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 792 441 C X > 0 0 47 0, 0.0 3,-3.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-146.8 95.7 69.5 -9.9 793 442 C X T 3 + 0 0 10 1,-0.3 -585,-0.0 0, 0.0 -693,-0.0 -0.442 360.0 0.0 -64.5 130.4 94.3 72.9 -8.7 794 443 C X T 3 0 0 68 -2,-0.2 -1,-0.3 1,-0.1 0, 0.0 -0.533 360.0 360.0-124.9 65.1 94.1 75.0 -10.6 795 444 C D < 0 0 160 -3,-3.4 -1,-0.1 0, 0.0 0, 0.0 -0.331 360.0 360.0 -67.0 360.0 95.5 73.7 -14.0 796 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 797 441 D X > 0 0 55 0, 0.0 3,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-137.5 71.4 6.4 -6.1 798 442 D X T 3 - 0 0 16 1,-0.3 -194,-0.0 0, 0.0 -302,-0.0 -0.624 360.0 -8.9 -77.6 125.7 71.4 2.7 -5.6 799 443 D X T 3 0 0 61 -2,-0.4 -1,-0.3 1,-0.2 0, 0.0 -0.742 360.0 360.0-125.7 48.8 71.7 1.1 -7.9 800 444 D D < 0 0 139 -3,-1.8 -1,-0.2 0, 0.0 0, 0.0 0.263 360.0 360.0-105.2 360.0 71.5 3.3 -11.0