==== 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 19-OCT-04 1W9V . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,M.HODKINSON,D.J.A . 799 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 70.7 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 65 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 23.9 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 1 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 0 131 0, 0.0 2,-0.3 0, 0.0 374,-0.2 0.000 360.0 360.0 360.0 -43.7 76.5 54.0 17.9 2 40 A S B -A 374 0A 65 372,-1.7 372,-2.9 370,-0.0 2,-0.1 -0.969 360.0-111.3-166.8 150.6 77.5 57.5 18.9 3 41 A S + 0 0 113 -2,-0.3 2,-0.3 370,-0.2 372,-0.0 -0.355 53.0 116.3 -80.0 164.1 78.3 61.0 17.5 4 42 A G - 0 0 31 248,-0.1 368,-0.2 369,-0.1 369,-0.1 -0.980 60.5 -29.0 165.7-165.6 81.8 62.5 17.6 5 43 A Y B -b 372 0B 42 366,-2.3 368,-3.4 -2,-0.3 2,-0.3 -0.421 50.1-136.9 -78.3 152.0 84.6 63.8 15.5 6 44 A R E -c 342 0C 22 335,-1.6 337,-2.5 366,-0.2 2,-0.5 -0.825 5.1-156.6-107.2 146.8 85.3 62.4 12.0 7 45 A S E +c 343 0C 2 -2,-0.3 25,-3.0 335,-0.2 26,-2.1 -0.923 25.9 178.3-124.7 100.5 88.9 61.7 10.7 8 46 A V E +cd 344 33C 0 335,-2.9 337,-1.8 -2,-0.5 2,-0.3 -0.837 10.2 174.5-111.8 141.1 88.7 61.8 6.9 9 47 A V E -cd 345 34C 0 24,-1.8 26,-2.8 -2,-0.4 2,-0.4 -0.999 25.0-131.5-146.5 142.3 91.4 61.4 4.3 10 48 A Y E - d 0 35C 0 335,-2.1 338,-3.0 -2,-0.3 2,-0.6 -0.764 14.2-163.3 -91.6 135.0 91.5 61.3 0.5 11 49 A F E - d 0 36C 0 24,-2.6 26,-2.6 -2,-0.4 2,-0.5 -0.983 11.4-151.3-116.0 114.3 93.4 58.5 -1.1 12 50 A V E > - d 0 37C 0 -2,-0.6 3,-2.2 24,-0.2 4,-0.2 -0.774 11.9-137.9 -87.9 128.2 94.1 59.3 -4.8 13 51 A N G > S+ 0 0 9 24,-2.8 3,-0.9 -2,-0.5 -1,-0.1 0.693 99.9 63.8 -63.0 -16.8 94.4 56.1 -6.8 14 52 A W G > S+ 0 0 95 23,-0.3 3,-1.4 1,-0.2 5,-0.4 0.465 78.8 88.5 -84.1 2.4 97.4 57.3 -8.8 15 53 A A G < S+ 0 0 0 -3,-2.2 6,-2.9 1,-0.3 -1,-0.2 0.706 72.7 71.1 -70.1 -18.9 99.3 57.4 -5.5 16 54 A I G < S+ 0 0 9 -3,-0.9 -1,-0.3 4,-0.2 -2,-0.1 0.605 97.0 56.2 -72.9 -11.3 100.3 53.7 -6.2 17 55 A Y S X S- 0 0 97 -3,-1.4 3,-1.8 4,-0.1 -2,-0.1 0.696 123.4 -4.4 -88.0-111.5 102.6 54.8 -9.0 18 56 A G T 3 S+ 0 0 55 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.897 135.5 53.1 -50.4 -46.9 105.4 57.3 -8.5 19 57 A R T 3 S- 0 0 44 -5,-0.4 -1,-0.3 2,-0.1 -3,-0.1 0.619 94.8-145.8 -66.3 -13.9 104.4 58.0 -4.9 20 58 A N < + 0 0 123 -3,-1.8 2,-0.5 1,-0.2 -4,-0.2 0.867 47.6 145.6 47.8 43.3 104.5 54.2 -4.2 21 59 A H + 0 0 19 -6,-2.9 -1,-0.2 -7,-0.1 -2,-0.1 -0.954 23.7 179.2-115.9 122.3 101.6 54.7 -1.7 22 60 A N > - 0 0 15 -2,-0.5 3,-2.5 -3,-0.1 4,-0.4 -0.786 43.9-100.7-122.0 165.0 99.0 52.0 -1.3 23 61 A P G > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.862 117.8 65.2 -49.0 -41.1 95.8 51.3 0.7 24 62 A Q G 3 S+ 0 0 80 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.712 95.4 60.3 -56.3 -21.5 97.8 49.1 3.1 25 63 A D G < S+ 0 0 95 -3,-2.5 -1,-0.3 2,-0.1 -4,-0.0 0.633 78.7 112.7 -82.6 -15.3 99.7 52.2 4.1 26 64 A L S < S- 0 0 8 -3,-2.2 2,-2.1 -4,-0.4 3,-0.2 -0.294 75.5-124.8 -61.0 139.4 96.7 54.1 5.4 27 65 A P > + 0 0 29 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.425 43.0 168.6 -83.1 65.0 96.5 54.7 9.1 28 66 A V G > + 0 0 17 -2,-2.1 3,-1.0 1,-0.3 -2,-0.0 0.691 65.6 63.3 -54.9 -24.6 93.1 53.0 9.4 29 67 A E G 3 S+ 0 0 111 1,-0.2 -1,-0.3 -3,-0.2 340,-0.0 0.659 108.3 43.4 -77.4 -10.6 93.1 52.9 13.2 30 68 A R G < S+ 0 0 84 -3,-2.3 2,-0.3 338,-0.0 -1,-0.2 0.155 105.3 79.8-116.2 17.8 93.1 56.7 13.3 31 69 A L < - 0 0 1 -3,-1.0 -23,-0.2 1,-0.1 3,-0.1 -0.912 44.8-175.7-127.1 152.3 90.5 57.2 10.5 32 70 A T S S+ 0 0 0 -25,-3.0 59,-2.4 1,-0.3 2,-0.3 0.581 80.2 27.1-114.0 -23.8 86.7 57.1 10.3 33 71 A H E -de 8 91C 0 -26,-2.1 -24,-1.8 57,-0.2 2,-0.5 -0.991 54.9-167.9-146.9 134.9 86.5 57.8 6.5 34 72 A V E -de 9 92C 0 57,-2.5 59,-2.8 -2,-0.3 2,-0.7 -0.986 14.3-154.7-119.9 125.5 88.7 57.1 3.4 35 73 A L E -de 10 93C 0 -26,-2.8 -24,-2.6 -2,-0.5 2,-0.7 -0.912 8.7-147.1-106.8 112.8 87.6 58.9 0.2 36 74 A Y E -de 11 94C 1 57,-3.2 59,-3.5 -2,-0.7 2,-0.3 -0.701 31.5-117.9 -81.2 114.2 88.8 57.1 -2.9 37 75 A A E +de 12 95C 0 -26,-2.6 -24,-2.8 -2,-0.7 -23,-0.3 -0.863 58.3 3.4-112.8 143.8 89.5 59.6 -5.6 38 76 A F E + 0 0 18 57,-0.6 13,-0.4 -2,-0.3 2,-0.2 0.589 37.3 170.7-135.7 145.7 88.5 60.2 -8.3 39 77 A A E - e 0 96C 0 56,-2.3 58,-2.4 -3,-0.2 11,-0.2 -0.658 34.3-135.5 -90.3 153.5 85.7 58.8 -10.5 40 78 A N E -K 49 0D 14 9,-3.2 9,-2.4 -2,-0.2 2,-0.4 -0.547 8.3-134.7-103.3 175.0 84.9 60.8 -13.7 41 79 A V E -K 48 0D 1 7,-0.2 7,-0.2 60,-0.2 67,-0.1 -0.995 12.6-128.4-135.7 129.1 81.6 61.8 -15.2 42 80 A R > - 0 0 118 5,-2.8 4,-3.1 -2,-0.4 3,-0.4 -0.648 18.5-150.1 -75.8 116.0 80.4 61.7 -18.8 43 81 A P T 4 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 71,-0.0 0.805 91.8 46.9 -56.7 -33.2 79.1 65.2 -19.6 44 82 A E T 4 S+ 0 0 172 1,-0.1 70,-0.1 3,-0.1 -2,-0.0 0.791 128.1 20.5 -82.8 -29.1 76.5 64.0 -22.1 45 83 A T T 4 S- 0 0 67 -3,-0.4 72,-0.2 2,-0.1 -1,-0.1 0.605 91.8-124.9-115.2 -18.1 75.0 61.1 -20.2 46 84 A G < + 0 0 0 -4,-3.1 2,-0.2 1,-0.3 75,-0.1 0.521 53.3 159.5 82.8 4.2 75.8 61.8 -16.5 47 85 A E - 0 0 79 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.4 -0.419 32.6-145.9 -64.8 129.7 77.5 58.4 -16.3 48 86 A V E +K 41 0D 3 69,-0.4 2,-0.3 70,-0.2 -7,-0.2 -0.830 31.1 164.4 -96.1 133.3 79.9 58.1 -13.4 49 87 A Y E -K 40 0D 39 -9,-2.4 -9,-3.2 -2,-0.4 2,-0.4 -0.985 39.5-110.6-151.1 161.5 82.9 55.8 -14.1 50 88 A M - 0 0 41 -2,-0.3 3,-0.2 -11,-0.2 -11,-0.1 -0.745 19.9-165.8 -91.7 137.3 86.4 54.8 -13.1 51 89 A T S S+ 0 0 65 -13,-0.4 2,-0.5 -2,-0.4 -1,-0.1 0.648 76.0 52.6 -98.9 -17.5 89.2 55.8 -15.4 52 90 A D > + 0 0 36 1,-0.1 4,-2.4 2,-0.1 -1,-0.2 -0.736 55.6 170.8-123.0 83.8 92.1 53.6 -14.2 53 91 A S H >>S+ 0 0 59 -2,-0.5 4,-2.9 1,-0.2 5,-1.4 0.828 77.5 57.4 -61.6 -34.5 91.0 49.9 -14.1 54 92 A W H >>S+ 0 0 108 3,-0.2 5,-2.9 2,-0.2 4,-0.9 0.969 112.2 40.2 -61.9 -51.2 94.5 48.6 -13.4 55 93 A A H 45S+ 0 0 0 3,-0.2 21,-2.7 1,-0.2 22,-0.2 0.915 121.5 44.0 -62.1 -45.1 94.9 50.7 -10.2 56 94 A D H <5S- 0 0 4 -4,-2.4 21,-2.4 19,-0.2 22,-0.4 0.928 138.4 -9.2 -68.4 -49.7 91.3 50.1 -9.1 57 95 A I H <5S+ 0 0 39 -4,-2.9 17,-2.3 18,-0.2 18,-0.3 0.496 122.9 58.8-134.0 -4.8 90.8 46.4 -9.7 58 96 A E T << + 0 0 88 -5,-1.4 -4,-0.2 -4,-0.9 -3,-0.2 0.806 68.0 104.1-101.1 -33.8 93.6 44.8 -11.7 59 97 A K < - 0 0 33 -5,-2.9 16,-2.5 -6,-0.2 2,-0.7 -0.251 60.7-143.9 -54.5 130.1 96.9 45.3 -9.7 60 98 A H - 0 0 47 14,-0.2 -1,-0.1 4,-0.1 3,-0.1 -0.868 15.7-168.5-100.5 113.7 97.9 42.1 -8.0 61 99 A Y > - 0 0 16 -2,-0.7 3,-2.2 1,-0.2 2,-0.1 -0.466 48.8 -70.5 -88.7 168.9 99.5 42.7 -4.6 62 100 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.437 129.1 38.3 -60.6 133.9 101.3 39.9 -2.8 63 101 A G T 3 S+ 0 0 77 1,-0.3 2,-0.6 -3,-0.1 -3,-0.0 0.279 87.3 118.4 107.9 -10.2 98.5 37.6 -1.8 64 102 A D < - 0 0 11 -3,-2.2 -1,-0.3 2,-0.0 2,-0.1 -0.823 61.5-130.5 -95.6 123.3 96.5 38.0 -4.9 65 103 A S - 0 0 31 -2,-0.6 -4,-0.0 1,-0.1 -1,-0.0 -0.406 16.6-166.5 -74.0 144.0 95.9 34.9 -7.0 66 104 A W S S+ 0 0 211 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.612 89.9 43.5 -99.4 -18.6 96.6 34.8 -10.7 67 105 A S S S+ 0 0 101 2,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.495 76.0 119.4-107.9 -6.6 94.7 31.5 -11.2 68 106 A D - 0 0 104 1,-0.1 4,-0.2 4,-0.0 2,-0.1 -0.402 60.0-131.1 -61.7 133.5 91.5 31.7 -9.1 69 107 A T + 0 0 134 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.319 61.6 56.5 -81.5 169.7 88.5 31.4 -11.3 70 108 A G S S- 0 0 51 1,-0.1 2,-1.1 -2,-0.1 316,-0.1 -0.365 99.6 -55.9 101.4 175.6 85.5 33.7 -11.3 71 109 A N S S- 0 0 73 314,-0.2 316,-1.8 -2,-0.1 317,-0.3 -0.786 70.7-179.2 -96.0 91.7 85.1 37.5 -11.8 72 110 A N - 0 0 28 -2,-1.1 2,-0.5 314,-0.2 -2,-0.1 -0.717 24.1-143.1-104.0 146.5 87.4 38.8 -9.1 73 111 A V + 0 0 0 -2,-0.3 -15,-0.1 1,-0.1 -16,-0.1 -0.878 30.9 151.7-105.4 130.2 88.4 42.2 -8.0 74 112 A Y > + 0 0 20 -17,-2.3 4,-2.2 -2,-0.5 3,-0.3 0.009 33.1 79.5-122.9-127.8 91.9 43.0 -6.9 75 113 A G H > S- 0 0 0 -16,-2.5 4,-1.3 -18,-0.3 -19,-0.2 -0.020 110.8 -34.6 52.8-158.0 93.7 46.4 -7.1 76 114 A C H > S+ 0 0 0 -21,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.851 134.5 65.5 -64.6 -35.7 93.1 49.1 -4.5 77 115 A I H > S+ 0 0 1 -21,-2.4 4,-2.2 -3,-0.3 -1,-0.2 0.910 101.6 46.6 -54.8 -48.3 89.5 48.1 -4.2 78 116 A K H X S+ 0 0 17 -4,-2.2 4,-2.4 -22,-0.4 -1,-0.2 0.930 112.4 50.5 -61.1 -46.3 90.3 44.7 -2.7 79 117 A Q H X S+ 0 0 21 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.891 110.1 50.2 -59.6 -41.1 92.8 46.1 -0.3 80 118 A L H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.905 109.0 50.9 -65.7 -40.9 90.3 48.8 0.9 81 119 A Y H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.922 109.0 52.4 -62.1 -42.6 87.6 46.1 1.5 82 120 A L H X S+ 0 0 37 -4,-2.4 4,-1.1 1,-0.2 3,-0.4 0.868 106.9 52.1 -61.7 -36.5 90.1 44.1 3.5 83 121 A L H X S+ 0 0 23 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.859 102.2 60.7 -67.4 -33.7 90.9 47.2 5.6 84 122 A K H < S+ 0 0 1 -4,-1.8 6,-0.3 1,-0.2 -1,-0.2 0.807 102.7 51.6 -63.2 -28.4 87.1 47.6 6.3 85 123 A K H < S+ 0 0 12 -4,-1.1 3,-0.3 -3,-0.4 -1,-0.2 0.822 108.4 51.4 -77.0 -30.4 87.1 44.2 7.9 86 124 A Q H < S+ 0 0 122 -4,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.725 121.6 30.1 -78.0 -24.7 90.0 45.1 10.2 87 125 A N >< - 0 0 25 -4,-1.5 3,-2.3 3,-0.1 -1,-0.3 -0.831 65.3-169.6-138.3 97.3 88.3 48.3 11.4 88 126 A R T 3 S+ 0 0 63 -2,-0.4 289,-2.9 -3,-0.3 -1,-0.1 0.638 88.6 59.7 -61.5 -14.6 84.5 48.1 11.4 89 127 A N T 3 S+ 0 0 14 287,-0.2 2,-0.7 -58,-0.1 -1,-0.3 0.330 82.9 101.1 -95.5 7.1 84.4 51.9 12.0 90 128 A L < - 0 0 0 -3,-2.3 2,-0.4 -6,-0.3 -57,-0.2 -0.831 54.5-168.2 -98.0 110.5 86.2 52.6 8.8 91 129 A K E -e 33 0C 4 -59,-2.4 -57,-2.5 -2,-0.7 2,-0.5 -0.779 6.5-154.8 -96.5 140.1 83.9 53.7 6.0 92 130 A V E -e 34 0C 2 -2,-0.4 40,-3.6 -59,-0.2 41,-0.7 -0.966 14.2-173.6-118.1 118.3 85.3 53.9 2.4 93 131 A L E -ef 35 133C 0 -59,-2.8 -57,-3.2 -2,-0.5 2,-0.5 -0.803 25.3-123.4-111.0 152.4 83.5 56.3 -0.0 94 132 A L E -ef 36 134C 0 39,-2.0 41,-2.8 -2,-0.3 2,-0.5 -0.831 25.6-146.0 -92.4 125.8 84.0 56.8 -3.7 95 133 A S E -ef 37 135C 0 -59,-3.5 -56,-2.3 -2,-0.5 -57,-0.6 -0.842 11.9-157.5 -96.1 128.0 84.9 60.5 -4.4 96 134 A I E +ef 39 136C 0 39,-3.6 41,-3.2 -2,-0.5 2,-0.5 -0.909 55.7 4.5-109.7 124.9 83.4 61.7 -7.7 97 135 A G E - f 0 137C 1 -58,-2.4 4,-0.4 -2,-0.5 41,-0.2 -0.929 56.9-176.6 118.5-121.0 84.9 64.7 -9.5 98 136 A G > - 0 0 1 39,-2.7 4,-1.4 -2,-0.5 41,-0.4 -0.170 55.7 -66.3 96.8 163.7 88.0 66.6 -8.5 99 137 A W T 4 S+ 0 0 61 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.921 131.9 48.4 -53.4 -50.8 89.5 69.7 -10.1 100 138 A T T 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.874 118.3 38.0 -61.0 -40.6 90.4 68.0 -13.4 101 139 A Y T >4 S+ 0 0 55 -4,-0.4 3,-1.9 1,-0.2 -60,-0.2 0.548 89.5 95.5 -90.0 -7.1 87.1 66.3 -13.9 102 140 A S G >X + 0 0 5 -4,-1.4 3,-1.8 -3,-0.5 4,-0.6 0.725 65.1 74.4 -58.7 -26.2 84.8 69.0 -12.7 103 141 A P G 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.782 92.3 62.1 -59.6 -18.2 84.1 70.6 -16.1 104 142 A N G <> S+ 0 0 36 -3,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.635 86.3 72.6 -81.0 -15.3 81.9 67.6 -16.6 105 143 A F H <> S+ 0 0 0 -3,-1.8 4,-3.0 -4,-0.2 5,-0.3 0.956 88.3 56.7 -65.6 -53.9 79.5 68.3 -13.7 106 144 A A H X S+ 0 0 20 -4,-0.6 4,-0.8 1,-0.2 -1,-0.1 0.924 114.3 37.2 -46.0 -60.0 77.5 71.3 -15.1 107 145 A P H >4 S+ 0 0 48 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.938 116.5 53.0 -62.2 -44.0 76.3 69.5 -18.3 108 146 A A H >< S+ 0 0 3 -4,-1.6 3,-0.6 1,-0.3 -2,-0.2 0.892 115.0 40.3 -56.8 -42.9 75.8 66.1 -16.6 109 147 A A H 3< S+ 0 0 1 -4,-3.0 -1,-0.3 1,-0.2 -3,-0.1 0.515 92.6 89.2 -85.6 -4.8 73.6 67.6 -13.9 110 148 A S T << S+ 0 0 63 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.642 87.7 48.5 -68.3 -16.1 71.8 69.9 -16.3 111 149 A T S <> S- 0 0 71 -3,-0.6 4,-2.8 -4,-0.4 5,-0.2 -0.928 77.1-126.3-129.9 154.5 69.1 67.3 -17.1 112 150 A D H > S+ 0 0 75 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.897 113.8 48.2 -59.4 -44.6 66.8 65.0 -15.2 113 151 A A H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 112.4 49.8 -63.7 -43.1 68.0 62.0 -17.2 114 152 A G H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.921 111.6 47.6 -61.4 -45.7 71.6 63.0 -16.6 115 153 A R H X S+ 0 0 28 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.913 114.2 47.2 -62.7 -43.5 71.0 63.4 -12.9 116 154 A K H X S+ 0 0 104 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.852 111.7 49.3 -68.0 -35.0 69.3 60.1 -12.6 117 155 A N H X S+ 0 0 52 -4,-2.4 4,-2.7 2,-0.2 -69,-0.4 0.827 108.2 55.6 -73.2 -30.1 71.9 58.2 -14.7 118 156 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -70,-0.2 0.958 111.3 43.2 -63.9 -50.8 74.6 59.7 -12.5 119 157 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.908 115.5 49.7 -61.8 -43.8 72.9 58.3 -9.3 120 158 A K H X S+ 0 0 155 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.942 114.6 41.4 -62.6 -50.9 72.3 55.0 -11.0 121 159 A T H X S+ 0 0 27 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.850 114.2 52.5 -68.1 -34.6 75.8 54.4 -12.3 122 160 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.893 110.6 47.6 -68.3 -39.7 77.4 55.7 -9.1 123 161 A V H X S+ 0 0 9 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.826 106.3 58.2 -70.7 -30.3 75.4 53.3 -7.0 124 162 A K H X S+ 0 0 91 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.905 106.8 48.4 -64.7 -39.9 76.2 50.5 -9.3 125 163 A L H X S+ 0 0 30 -4,-1.6 4,-3.4 1,-0.2 3,-0.4 0.939 110.9 51.6 -63.8 -45.5 79.9 51.1 -8.6 126 164 A L H X>S+ 0 0 0 -4,-2.0 5,-1.2 1,-0.2 4,-1.2 0.907 109.5 48.1 -58.0 -44.8 79.1 51.2 -4.8 127 165 A Q H <5S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 256,-0.2 0.741 119.7 39.4 -70.8 -22.3 77.3 47.9 -4.9 128 166 A D H <5S+ 0 0 5 -4,-1.3 258,-0.3 -3,-0.4 -2,-0.2 0.861 120.9 39.1 -92.0 -43.2 80.1 46.2 -6.9 129 167 A L H <5S- 0 0 10 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.433 107.1-114.2 -91.3 -0.7 83.2 47.7 -5.2 130 168 A G T <5 + 0 0 2 -4,-1.2 -38,-0.2 -5,-0.3 -3,-0.2 0.873 52.0 165.3 74.0 40.5 82.0 47.7 -1.6 131 169 A F < - 0 0 2 -5,-1.2 -38,-0.2 -6,-0.2 -1,-0.2 -0.498 37.5-146.0 -88.2 159.1 81.8 51.4 -0.8 132 170 A D S S- 0 0 2 -40,-3.6 43,-2.3 1,-0.2 2,-0.3 0.400 73.8 -38.2-100.3 -1.9 80.0 52.9 2.2 133 171 A G E -fg 93 175C 0 -41,-0.7 -39,-2.0 41,-0.3 2,-0.3 -0.989 62.9 -85.6 168.9-169.6 78.9 56.0 0.3 134 172 A L E -fg 94 176C 0 41,-2.4 43,-2.5 -2,-0.3 2,-0.4 -0.975 19.0-158.4-134.3 144.4 79.7 58.7 -2.2 135 173 A D E -fg 95 177C 0 -41,-2.8 -39,-3.6 -2,-0.3 2,-0.6 -0.984 11.9-149.9-121.8 130.0 81.5 62.1 -2.0 136 174 A I E -fg 96 178C 0 41,-2.6 43,-2.0 -2,-0.4 2,-0.7 -0.909 11.2-174.7-106.3 118.8 80.9 64.7 -4.7 137 175 A D E +f 97 0C 0 -41,-3.2 -39,-2.7 -2,-0.6 2,-0.7 -0.753 12.7 169.5-114.0 80.9 83.8 67.0 -5.4 138 176 A W - 0 0 7 -2,-0.7 2,-0.6 41,-0.4 -39,-0.1 -0.845 26.4-143.7 -98.2 111.6 82.5 69.6 -7.9 139 177 A E S S- 0 0 11 -2,-0.7 -37,-0.1 -41,-0.4 41,-0.0 -0.808 71.5 -18.8-118.1 93.1 84.9 72.5 -8.4 140 178 A Y - 0 0 43 -2,-0.6 -1,-0.3 1,-0.1 40,-0.0 0.637 45.7-141.3-149.6 156.0 82.9 74.6 -8.6 141 179 A P - 0 0 6 0, 0.0 48,-0.1 0, 0.0 49,-0.1 -0.274 28.2-165.9 -50.9 130.5 79.2 75.5 -9.3 142 180 A E + 0 0 145 1,-0.1 2,-0.3 47,-0.1 48,-0.0 0.708 57.2 6.5 -96.3 -23.9 79.5 78.7 -11.3 143 181 A N S > S- 0 0 71 1,-0.0 4,-2.4 46,-0.0 5,-0.2 -0.901 84.0 -84.8-150.0 178.0 75.9 80.1 -11.2 144 182 A D H > S+ 0 0 109 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.845 121.4 56.0 -58.2 -38.6 72.5 79.7 -9.7 145 183 A Q H > S+ 0 0 118 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.925 110.9 43.9 -61.7 -45.1 71.4 77.1 -12.3 146 184 A Q H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.889 112.3 52.9 -67.6 -37.3 74.3 74.9 -11.5 147 185 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 44,-0.3 0.934 112.2 46.4 -62.2 -43.2 73.7 75.4 -7.8 148 186 A N H X S+ 0 0 60 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.934 112.8 48.3 -63.2 -48.4 70.1 74.4 -8.3 149 187 A D H X S+ 0 0 10 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.865 106.0 58.7 -61.8 -36.1 71.1 71.4 -10.4 150 188 A F H X S+ 0 0 7 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.942 107.1 46.9 -59.3 -46.9 73.6 70.3 -7.8 151 189 A V H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.921 112.7 49.4 -60.1 -44.1 70.8 70.1 -5.2 152 190 A L H X S+ 0 0 53 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.866 110.9 50.6 -63.9 -35.5 68.7 68.1 -7.6 153 191 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 108.6 51.4 -67.3 -46.0 71.7 65.8 -8.3 154 192 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.916 108.7 51.2 -58.1 -43.6 72.2 65.3 -4.5 155 193 A K H X S+ 0 0 83 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.911 108.9 51.4 -60.4 -42.4 68.6 64.4 -4.1 156 194 A E H X S+ 0 0 47 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.906 112.8 44.9 -61.5 -43.4 68.8 61.8 -6.9 157 195 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.940 111.7 52.0 -66.8 -47.5 71.9 60.2 -5.4 158 196 A R H X S+ 0 0 23 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.902 111.5 48.8 -54.7 -42.5 70.4 60.2 -1.9 159 197 A T H X S+ 0 0 74 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.920 111.0 48.2 -65.1 -45.5 67.3 58.5 -3.3 160 198 A A H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 110.5 51.9 -63.9 -39.3 69.3 55.8 -5.2 161 199 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.922 110.3 48.8 -63.7 -42.8 71.4 55.0 -2.2 162 200 A D H X S+ 0 0 73 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.868 112.1 47.8 -65.9 -37.6 68.3 54.5 -0.0 163 201 A S H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.925 111.4 50.2 -69.2 -44.6 66.6 52.3 -2.6 164 202 A Y H X S+ 0 0 13 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.935 113.6 46.9 -57.8 -45.5 69.7 50.2 -3.0 165 203 A S H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 6,-1.8 0.906 108.0 53.5 -64.1 -44.5 70.0 49.8 0.8 166 204 A A H < S+ 0 0 78 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.867 119.7 36.7 -59.3 -34.7 66.3 48.9 1.3 167 205 A A H < S+ 0 0 73 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.798 136.6 12.8 -89.7 -31.4 66.7 46.2 -1.2 168 206 A N H < S+ 0 0 52 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.411 125.2 44.3-130.0 4.1 70.3 44.9 -0.5 169 207 A A S >< S- 0 0 16 -4,-2.8 3,-2.4 -5,-0.3 -3,-0.2 0.182 97.3-111.7-135.5 20.8 71.6 46.3 2.8 170 208 A G T 3 S- 0 0 84 -5,-0.4 -4,-0.2 1,-0.3 -5,-0.1 0.790 82.8 -53.2 55.3 27.5 68.7 45.9 5.3 171 209 A G T 3 S+ 0 0 50 -6,-1.8 -1,-0.3 1,-0.2 -5,-0.2 0.487 84.3 172.2 88.0 1.2 68.4 49.7 5.4 172 210 A Q < - 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