==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-05 2A3A . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR F.V.RAO,O.A.ANDERSEN,K.A.VORA,J.A.DEMARTINO,D.M.F.VAN AALTEN . 788 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.9 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 . 1 0.1 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 . 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 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 3 4 2 1 1 1 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 0 6 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 . 0 0 0 0 2 0 0 0 2 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 0 129 0, 0.0 2,-0.3 0, 0.0 374,-0.2 0.000 360.0 360.0 360.0 -51.4 76.3 53.8 17.5 2 40 A S B -A 374 0A 66 372,-1.8 372,-3.0 370,-0.1 2,-0.1 -0.995 360.0-112.0-153.1 158.3 77.4 57.4 18.4 3 41 A S + 0 0 110 -2,-0.3 2,-0.3 370,-0.2 372,-0.0 -0.327 52.9 109.9 -80.3 163.6 78.2 60.9 17.3 4 42 A G - 0 0 32 248,-0.1 368,-0.2 369,-0.1 369,-0.1 -0.969 63.7 -25.8 159.4-166.9 81.6 62.5 17.4 5 43 A Y B -b 372 0B 39 366,-2.0 368,-3.2 -2,-0.3 2,-0.3 -0.320 49.3-138.3 -74.8 153.9 84.5 63.7 15.2 6 44 A R E -c 342 0C 21 335,-1.7 337,-2.5 366,-0.2 2,-0.5 -0.835 5.1-157.6-108.4 151.0 85.2 62.4 11.7 7 45 A S E +c 343 0C 1 -2,-0.3 25,-3.0 335,-0.2 26,-2.4 -0.945 24.4 179.8-131.1 105.2 88.8 61.7 10.5 8 46 A V E +cd 344 33C 0 335,-2.7 337,-1.8 -2,-0.5 2,-0.4 -0.879 9.0 176.9-116.6 136.9 88.7 61.8 6.7 9 47 A V E -cd 345 34C 0 24,-1.9 26,-2.9 -2,-0.4 2,-0.4 -0.997 25.9-128.0-144.5 143.1 91.4 61.3 4.1 10 48 A Y E - d 0 35C 0 335,-2.4 338,-3.0 -2,-0.4 2,-0.5 -0.717 16.5-167.8 -85.1 131.8 91.6 61.2 0.4 11 49 A F E - d 0 36C 0 24,-2.6 26,-2.4 -2,-0.4 2,-0.5 -0.991 14.0-153.5-115.7 117.3 93.4 58.2 -1.1 12 50 A V E > - d 0 37C 1 -2,-0.5 3,-2.2 24,-0.2 4,-0.2 -0.806 13.6-136.1 -95.4 133.0 94.0 59.0 -4.8 13 51 A N G > S+ 0 0 6 24,-3.1 3,-0.8 -2,-0.5 25,-0.1 0.695 101.9 62.2 -65.1 -16.2 94.3 55.9 -7.0 14 52 A W G > S+ 0 0 88 23,-0.2 3,-1.4 1,-0.2 5,-0.4 0.489 80.7 86.7 -84.6 0.0 97.3 57.3 -8.9 15 53 A A G < S+ 0 0 0 -3,-2.2 6,-3.0 1,-0.3 -1,-0.2 0.697 73.7 70.5 -69.5 -20.3 99.3 57.2 -5.6 16 54 A I G < S+ 0 0 9 -3,-0.8 -1,-0.3 4,-0.2 -2,-0.1 0.624 98.2 57.2 -72.5 -9.4 100.1 53.5 -6.2 17 55 A Y S X S- 0 0 96 -3,-1.4 3,-1.8 4,-0.1 -2,-0.1 0.679 123.8 -7.5 -88.2-112.7 102.4 54.8 -9.0 18 56 A G T 3 S+ 0 0 56 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.876 135.6 54.3 -52.7 -42.9 105.3 57.3 -8.5 19 57 A R T 3 S- 0 0 43 -5,-0.4 -1,-0.3 2,-0.1 -3,-0.1 0.625 95.3-148.3 -67.7 -14.6 104.2 57.9 -4.9 20 58 A N < + 0 0 120 -3,-1.8 2,-0.5 1,-0.2 -4,-0.2 0.851 46.6 143.0 48.3 41.9 104.4 54.1 -4.3 21 59 A H - 0 0 17 -6,-3.0 -1,-0.2 -7,-0.1 -2,-0.1 -0.953 26.8-177.1-117.5 129.1 101.6 54.4 -1.8 22 60 A N > - 0 0 16 -2,-0.5 3,-2.9 -3,-0.1 4,-0.4 -0.818 42.3-100.5-124.5 163.7 98.9 51.7 -1.4 23 61 A P G > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.859 118.2 66.1 -49.7 -40.3 95.7 51.2 0.6 24 62 A Q G 3 S+ 0 0 79 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.708 94.5 60.9 -56.7 -20.2 97.6 48.9 3.0 25 63 A D G < S+ 0 0 95 -3,-2.9 -1,-0.3 2,-0.1 -4,-0.0 0.614 78.6 114.2 -83.2 -11.9 99.6 52.0 4.0 26 64 A L S < S- 0 0 10 -3,-2.4 2,-2.1 -4,-0.4 3,-0.2 -0.300 74.7-125.7 -62.1 140.2 96.5 53.9 5.3 27 65 A P > + 0 0 28 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.441 42.7 170.2 -83.5 65.8 96.4 54.6 9.1 28 66 A V G > + 0 0 18 -2,-2.1 3,-1.0 1,-0.3 -2,-0.0 0.716 67.1 60.1 -55.3 -26.5 92.9 52.9 9.2 29 67 A E G 3 S+ 0 0 109 1,-0.2 -1,-0.3 -3,-0.2 -3,-0.0 0.762 107.4 47.3 -75.1 -18.6 92.8 52.8 13.0 30 68 A R G < S+ 0 0 90 -3,-2.2 2,-0.3 338,-0.0 -1,-0.2 0.216 104.8 77.4-104.3 15.8 93.0 56.6 13.0 31 69 A L < - 0 0 0 -3,-1.0 -23,-0.2 1,-0.1 3,-0.1 -0.893 44.8-176.3-127.1 153.4 90.3 57.2 10.4 32 70 A T S S+ 0 0 0 -25,-3.0 59,-2.9 1,-0.3 2,-0.4 0.587 81.1 26.8-112.8 -29.4 86.5 57.1 10.1 33 71 A H E -de 8 91C 0 -26,-2.4 -24,-1.9 57,-0.2 2,-0.4 -0.996 55.0-165.7-141.3 139.8 86.3 57.7 6.3 34 72 A V E -de 9 92C 0 57,-2.4 59,-2.9 -2,-0.4 2,-0.7 -0.982 14.0-152.4-119.1 130.0 88.5 57.2 3.2 35 73 A L E -de 10 93C 0 -26,-2.9 -24,-2.6 -2,-0.4 2,-0.8 -0.912 10.6-149.9-104.6 111.3 87.5 59.0 0.0 36 74 A Y E -de 11 94C 1 57,-3.2 59,-3.0 -2,-0.7 2,-0.3 -0.721 30.1-116.5 -85.2 109.9 88.7 57.0 -3.0 37 75 A A E +de 12 95C 0 -26,-2.4 -24,-3.1 -2,-0.8 -23,-0.2 -0.799 59.8 2.8-105.6 140.8 89.5 59.5 -5.9 38 76 A F E + 0 0 20 57,-0.6 13,-0.6 -2,-0.3 2,-0.3 0.596 36.9 168.0-138.0 147.1 88.4 59.9 -8.5 39 77 A A E -Fe 50 96C 0 56,-2.5 58,-2.5 -3,-0.2 11,-0.2 -0.687 34.9-138.8 -92.2 154.4 85.5 58.5 -10.6 40 78 A N E -F 49 0C 16 9,-2.9 9,-2.5 -2,-0.3 2,-0.4 -0.583 6.3-130.5-107.1 175.7 84.7 60.6 -13.7 41 79 A V E -F 48 0C 0 7,-0.2 7,-0.2 60,-0.2 6,-0.1 -0.992 12.1-129.4-134.2 129.8 81.3 61.5 -15.3 42 80 A R > - 0 0 103 5,-3.2 4,-3.3 -2,-0.4 5,-0.3 -0.664 20.0-151.8 -77.1 113.4 80.2 61.3 -18.9 43 81 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 71,-0.0 0.797 90.7 46.7 -57.0 -32.8 78.8 64.8 -19.7 44 82 A E T 4 S+ 0 0 169 1,-0.1 -2,-0.0 3,-0.1 70,-0.0 0.833 128.2 21.6 -82.6 -30.3 76.3 63.6 -22.3 45 83 A T T 4 S- 0 0 66 -3,-0.2 72,-0.2 2,-0.1 -1,-0.1 0.570 92.8-123.5-113.3 -14.2 74.8 60.7 -20.3 46 84 A G < + 0 0 0 -4,-3.3 2,-0.2 1,-0.3 75,-0.1 0.502 54.4 159.4 81.8 1.1 75.6 61.4 -16.7 47 85 A E - 0 0 71 -5,-0.3 -5,-3.2 -6,-0.1 2,-0.4 -0.408 31.8-148.0 -65.8 128.8 77.3 58.1 -16.4 48 86 A V E +F 41 0C 3 69,-0.4 2,-0.3 70,-0.3 -7,-0.2 -0.807 26.1 175.7 -94.4 130.6 79.8 57.8 -13.5 49 87 A Y E -F 40 0C 53 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.2 -0.984 35.1-106.4-143.8 154.0 82.7 55.6 -14.2 50 88 A M E -F 39 0C 41 -2,-0.3 3,-0.2 -11,-0.2 -11,-0.2 -0.553 27.3-153.0 -75.0 138.7 86.0 54.3 -12.7 51 89 A T S S+ 0 0 44 -13,-0.6 2,-0.2 -2,-0.2 -1,-0.1 0.417 75.4 33.7 -97.7 -0.9 89.0 55.9 -14.4 52 90 A D > - 0 0 39 1,-0.1 4,-3.2 2,-0.1 5,-0.2 -0.635 56.0-177.0-156.6 88.8 91.9 53.4 -14.0 53 91 A S H >>S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 5,-1.7 0.841 84.3 55.2 -61.2 -35.4 91.0 49.7 -14.1 54 92 A W H >>S+ 0 0 112 3,-0.2 5,-2.8 1,-0.2 4,-1.0 0.989 116.4 36.7 -61.8 -54.3 94.5 48.5 -13.5 55 93 A A H 45S+ 0 0 0 3,-0.2 21,-2.6 1,-0.2 -2,-0.2 0.904 123.1 44.3 -62.2 -43.9 94.8 50.6 -10.3 56 94 A D H <5S- 0 0 1 -4,-3.2 21,-2.2 19,-0.2 22,-0.3 0.913 137.5 -8.2 -70.2 -46.8 91.2 50.1 -9.2 57 95 A I H <5S+ 0 0 39 -4,-2.7 17,-2.4 -5,-0.2 18,-0.2 0.533 123.7 56.0-135.3 -5.2 90.6 46.4 -9.8 58 96 A E T << + 0 0 88 -5,-1.7 -4,-0.2 -4,-1.0 -3,-0.2 0.782 67.7 106.2-104.1 -30.6 93.5 44.6 -11.7 59 97 A K < - 0 0 33 -5,-2.8 16,-2.5 -6,-0.3 2,-0.6 -0.259 60.9-141.9 -56.1 131.7 96.7 45.2 -9.8 60 98 A H - 0 0 44 14,-0.2 -1,-0.1 4,-0.0 3,-0.1 -0.864 20.7-177.9 -99.5 121.5 97.8 42.0 -8.0 61 99 A Y > - 0 0 17 -2,-0.6 3,-2.0 1,-0.2 2,-0.1 -0.524 50.2 -62.3-101.9 177.5 99.3 42.4 -4.6 62 100 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.385 128.7 33.3 -61.7 136.3 100.6 39.6 -2.5 63 101 A G T 3 S+ 0 0 74 1,-0.3 2,-0.7 -3,-0.1 -3,-0.0 0.342 89.5 120.7 98.7 -7.4 97.7 37.2 -1.7 64 102 A D < - 0 0 10 -3,-2.0 -1,-0.3 2,-0.0 2,-0.1 -0.843 60.3-135.3 -96.7 116.1 96.1 37.9 -5.0 65 103 A S - 0 0 30 -2,-0.7 -4,-0.0 1,-0.1 -1,-0.0 -0.404 17.2-165.8 -71.3 139.8 95.7 34.8 -7.0 66 104 A W S S+ 0 0 213 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.615 91.4 44.2 -94.6 -18.7 96.5 34.7 -10.7 67 105 A S S S+ 0 0 102 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.540 76.7 119.2-106.6 -7.0 94.7 31.3 -11.2 68 106 A D - 0 0 104 1,-0.1 4,-0.1 4,-0.0 2,-0.1 -0.302 58.6-132.1 -59.4 141.9 91.4 31.7 -9.2 69 107 A T + 0 0 131 2,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.473 61.1 56.7 -89.8 168.5 88.4 31.3 -11.5 70 108 A G S S- 0 0 52 -2,-0.1 2,-1.0 317,-0.1 316,-0.1 -0.436 98.3 -57.1 104.7 175.2 85.4 33.6 -11.5 71 109 A N S S+ 0 0 73 314,-0.2 316,-1.9 -2,-0.1 317,-0.4 -0.830 70.2 178.4 -98.2 93.6 84.9 37.4 -11.9 72 110 A N - 0 0 27 -2,-1.0 2,-0.4 314,-0.2 -2,-0.1 -0.771 26.1-141.7-108.5 146.8 87.2 38.7 -9.2 73 111 A V + 0 0 0 -2,-0.3 -15,-0.1 1,-0.1 2,-0.1 -0.869 31.6 152.1-103.7 132.5 88.2 42.2 -8.1 74 112 A Y > + 0 0 18 -17,-2.4 4,-2.2 -2,-0.4 -16,-0.3 -0.029 33.6 78.9-124.1-128.3 91.8 42.9 -7.0 75 113 A G H > S- 0 0 0 -16,-2.5 4,-1.3 -18,-0.2 -19,-0.2 -0.011 111.6 -34.2 51.4-157.0 93.6 46.3 -7.3 76 114 A C H > S+ 0 0 0 -21,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.868 134.5 65.4 -63.8 -37.7 93.0 49.0 -4.7 77 115 A I H > S+ 0 0 3 -21,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.907 101.7 47.3 -53.5 -47.9 89.3 48.0 -4.3 78 116 A K H X S+ 0 0 23 -4,-2.2 4,-2.4 -22,-0.3 -1,-0.2 0.936 112.2 50.4 -62.1 -43.9 90.1 44.6 -2.8 79 117 A Q H X S+ 0 0 17 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.886 109.9 50.7 -62.1 -37.6 92.6 46.1 -0.4 80 118 A L H X S+ 0 0 5 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.935 109.0 50.3 -66.9 -43.1 90.1 48.7 0.8 81 119 A Y H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.932 109.3 52.0 -60.9 -44.9 87.4 46.0 1.4 82 120 A L H >X S+ 0 0 53 -4,-2.4 4,-1.0 1,-0.2 3,-0.9 0.901 107.6 52.0 -58.9 -38.7 89.9 44.0 3.4 83 121 A L H 3X S+ 0 0 22 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.805 100.3 63.0 -67.2 -27.3 90.7 47.1 5.5 84 122 A K H 3< S+ 0 0 1 -4,-1.6 -1,-0.3 -3,-0.4 6,-0.2 0.790 101.8 51.7 -68.2 -23.5 87.0 47.5 6.1 85 123 A K H << S+ 0 0 12 -4,-0.9 3,-0.3 -3,-0.9 -1,-0.2 0.802 106.9 52.9 -79.9 -29.0 87.1 44.1 7.9 86 124 A Q H < S+ 0 0 118 -4,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.809 122.1 27.3 -75.1 -31.1 90.0 45.3 10.1 87 125 A N >< - 0 0 19 -4,-1.7 3,-2.3 3,-0.1 -1,-0.3 -0.868 64.8-168.9-135.6 99.5 88.2 48.4 11.3 88 126 A R T 3 S+ 0 0 61 -2,-0.4 289,-2.9 -3,-0.3 -1,-0.1 0.644 90.0 59.6 -61.8 -15.6 84.4 48.1 11.3 89 127 A N T 3 S+ 0 0 14 287,-0.2 2,-0.7 -58,-0.1 -1,-0.3 0.410 81.7 102.1 -93.3 1.5 84.2 51.9 11.9 90 128 A L < - 0 0 0 -3,-2.3 2,-0.4 -6,-0.2 -57,-0.2 -0.775 54.3-167.2 -88.8 112.8 86.1 52.6 8.6 91 129 A K E -e 33 0C 4 -59,-2.9 -57,-2.4 -2,-0.7 2,-0.5 -0.825 5.7-154.8-100.0 139.1 83.8 53.8 5.8 92 130 A V E -e 34 0C 2 -2,-0.4 40,-3.3 -59,-0.2 41,-0.6 -0.956 12.5-171.1-116.5 117.8 85.1 53.9 2.2 93 131 A L E -eg 35 133C 0 -59,-2.9 -57,-3.2 -2,-0.5 2,-0.6 -0.812 24.6-123.9-109.3 149.6 83.4 56.3 -0.2 94 132 A L E -eg 36 134C 0 39,-2.1 41,-2.7 -2,-0.3 2,-0.6 -0.796 27.0-144.7 -88.4 124.7 83.9 56.7 -3.9 95 133 A S E -eg 37 135C 0 -59,-3.0 -56,-2.5 -2,-0.6 -57,-0.6 -0.841 13.8-160.9 -96.2 124.4 84.8 60.3 -4.7 96 134 A I E +eg 39 136C 0 39,-3.3 41,-3.1 -2,-0.6 2,-0.6 -0.907 55.2 3.5-108.8 125.5 83.3 61.5 -7.9 97 135 A G E + g 0 137C 1 -58,-2.5 4,-0.5 -2,-0.5 41,-0.2 -0.922 56.9 177.7 114.0-120.7 84.7 64.6 -9.7 98 136 A G > - 0 0 0 39,-2.5 4,-1.4 -2,-0.6 41,-0.3 -0.129 59.0 -62.0 89.7 164.1 87.8 66.5 -8.5 99 137 A W T >4 S+ 0 0 173 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.917 132.0 49.4 -50.9 -55.8 89.3 69.5 -10.4 100 138 A T T 34 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.876 118.8 37.8 -54.7 -41.8 90.2 67.7 -13.6 101 139 A Y T >4 S+ 0 0 58 -4,-0.5 3,-2.1 -3,-0.2 -1,-0.2 0.561 87.8 96.6 -90.3 -7.1 86.8 66.1 -14.1 102 140 A S G XX + 0 0 7 -4,-1.4 3,-1.7 -3,-0.7 4,-0.6 0.739 67.3 73.4 -56.9 -25.3 84.6 68.9 -12.8 103 141 A P G 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.789 91.8 61.1 -61.8 -18.8 83.9 70.3 -16.3 104 142 A N G <> S+ 0 0 37 -3,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.622 87.2 73.4 -81.7 -11.1 81.6 67.3 -16.8 105 143 A F H <> S+ 0 0 0 -3,-1.7 4,-2.9 -4,-0.2 5,-0.3 0.960 88.2 55.7 -68.7 -52.6 79.2 68.1 -13.9 106 144 A A H X S+ 0 0 23 -4,-0.6 4,-0.8 1,-0.2 -1,-0.1 0.915 115.4 37.3 -48.1 -54.7 77.2 71.0 -15.4 107 145 A P H >4 S+ 0 0 51 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.957 116.7 51.5 -66.6 -45.7 76.1 69.1 -18.5 108 146 A A H >< S+ 0 0 2 -4,-1.6 3,-0.5 1,-0.3 -2,-0.2 0.874 116.2 41.1 -57.2 -38.6 75.6 65.8 -16.8 109 147 A A H 3< S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.2 -3,-0.1 0.518 91.6 88.5 -88.6 -5.2 73.4 67.3 -14.1 110 148 A S T << S+ 0 0 62 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.648 87.5 50.2 -69.6 -16.1 71.5 69.6 -16.5 111 149 A T S <> S- 0 0 73 -3,-0.5 4,-2.8 -4,-0.4 5,-0.2 -0.912 78.0-125.9-127.0 155.8 68.8 67.1 -17.3 112 150 A D H > S+ 0 0 76 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 113.2 49.3 -58.8 -46.9 66.6 64.7 -15.3 113 151 A A H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 112.1 49.4 -62.4 -37.5 67.7 61.7 -17.3 114 152 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 111.4 47.7 -66.8 -47.2 71.4 62.6 -16.7 115 153 A R H X S+ 0 0 27 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 114.8 47.1 -60.5 -43.5 70.9 63.1 -13.0 116 154 A K H X S+ 0 0 98 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.869 112.1 48.3 -67.9 -35.9 69.1 59.8 -12.8 117 155 A N H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 -69,-0.4 0.849 108.6 55.9 -72.7 -31.7 71.7 58.0 -14.8 118 156 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -70,-0.3 0.967 111.6 43.1 -60.6 -52.1 74.4 59.5 -12.6 119 157 A A H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.891 115.2 49.3 -62.0 -42.7 72.7 58.1 -9.5 120 158 A K H X S+ 0 0 157 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.924 114.9 41.6 -65.9 -46.6 72.0 54.7 -11.0 121 159 A T H X S+ 0 0 25 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.873 114.5 51.9 -71.8 -35.0 75.5 54.1 -12.4 122 160 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.924 110.7 47.9 -67.0 -41.3 77.2 55.4 -9.2 123 161 A V H X S+ 0 0 8 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.852 107.5 56.6 -67.5 -31.2 75.1 53.1 -7.1 124 162 A K H X S+ 0 0 92 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.928 106.8 48.8 -65.7 -40.8 76.0 50.3 -9.4 125 163 A L H X S+ 0 0 28 -4,-2.0 4,-3.0 1,-0.2 3,-0.3 0.946 111.3 52.0 -61.1 -43.9 79.7 51.0 -8.7 126 164 A L H X>S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 5,-1.1 0.916 109.5 47.3 -58.1 -44.2 78.9 51.0 -5.0 127 165 A Q H <5S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.771 119.3 40.1 -72.5 -23.3 77.1 47.7 -5.0 128 166 A D H <5S+ 0 0 5 -4,-1.6 258,-0.3 -3,-0.3 -2,-0.2 0.874 121.2 38.0 -88.8 -44.3 79.9 46.0 -7.0 129 167 A L H <5S- 0 0 8 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.462 106.1-114.5 -92.0 -5.3 83.0 47.5 -5.4 130 168 A G T <5 + 0 0 3 -4,-1.3 -38,-0.2 -5,-0.3 -3,-0.2 0.874 52.2 162.1 77.5 39.6 81.9 47.6 -1.8 131 169 A F < - 0 0 2 -5,-1.1 -38,-0.2 -6,-0.2 -1,-0.2 -0.479 39.3-143.1 -87.4 163.9 81.7 51.3 -1.0 132 170 A D S S- 0 0 3 -40,-3.3 43,-2.6 1,-0.2 2,-0.3 0.301 73.4 -42.6-103.9 2.2 79.8 52.8 2.0 133 171 A G E -gh 93 175C 0 -41,-0.6 -39,-2.1 41,-0.3 2,-0.4 -0.983 63.9 -79.0 162.1-170.3 78.7 55.9 0.1 134 172 A L E -gh 94 176C 0 41,-2.6 43,-2.3 -2,-0.3 2,-0.4 -0.973 18.8-160.9-133.4 143.6 79.6 58.6 -2.4 135 173 A D E -gh 95 177C 0 -41,-2.7 -39,-3.3 -2,-0.4 2,-0.5 -0.966 12.6-154.6-119.5 134.1 81.4 61.9 -2.2 136 174 A I E -gh 96 178C 0 41,-2.3 43,-1.6 -2,-0.4 2,-0.6 -0.956 8.9-173.4-117.2 122.8 80.9 64.5 -4.9 137 175 A D E +g 97 0C 2 -41,-3.1 -39,-2.5 -2,-0.5 2,-0.7 -0.832 10.8 170.9-117.6 90.4 83.6 67.1 -5.7 138 176 A W - 0 0 11 -2,-0.6 2,-0.6 41,-0.4 -39,-0.1 -0.898 24.3-146.8-104.4 111.1 82.3 69.5 -8.2 139 177 A E S S- 0 0 32 -2,-0.7 -37,-0.1 -41,-0.3 3,-0.0 -0.839 72.8 -7.0-118.0 90.7 84.7 72.4 -8.5 140 178 A Y - 0 0 73 -2,-0.6 -1,-0.3 46,-0.0 2,-0.1 0.612 43.2-153.6-154.0 160.1 82.6 74.4 -9.0 141 179 A P - 0 0 7 0, 0.0 48,-0.1 0, 0.0 49,-0.1 -0.420 29.7-168.6 -58.9 128.9 78.9 75.2 -9.6 142 180 A E + 0 0 146 1,-0.1 2,-0.3 -2,-0.1 48,-0.0 0.589 56.2 13.9 -99.9 -13.3 79.2 78.5 -11.5 143 181 A N S > S- 0 0 70 1,-0.1 4,-2.7 46,-0.0 3,-0.2 -0.942 84.7 -88.9-152.8 174.3 75.6 79.9 -11.5 144 182 A D H > S+ 0 0 99 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.853 121.3 55.3 -57.5 -38.6 72.2 79.5 -10.0 145 183 A Q H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 111.3 44.1 -62.7 -43.6 71.1 76.9 -12.5 146 184 A Q H > S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.916 110.9 54.5 -67.5 -41.2 74.1 74.7 -11.7 147 185 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 44,-0.3 0.925 112.0 45.7 -58.1 -41.2 73.6 75.3 -8.0 148 186 A N H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 112.0 49.4 -67.0 -43.8 70.0 74.1 -8.5 149 187 A D H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.865 106.2 57.9 -63.6 -35.7 71.0 71.1 -10.6 150 188 A F H X S+ 0 0 4 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.957 107.9 46.5 -60.4 -47.6 73.6 70.2 -8.0 151 189 A V H X S+ 0 0 17 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.928 113.1 48.7 -58.8 -44.4 70.8 70.0 -5.4 152 190 A L H X S+ 0 0 72 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.886 111.1 51.7 -64.5 -35.7 68.6 67.9 -7.8 153 191 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.947 108.9 49.4 -63.7 -49.3 71.6 65.6 -8.4 154 192 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.936 109.7 51.5 -56.6 -46.8 72.2 65.1 -4.7 155 193 A K H X S+ 0 0 108 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 109.1 50.8 -57.8 -43.6 68.5 64.2 -4.2 156 194 A E H X S+ 0 0 47 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 112.6 45.8 -62.9 -42.0 68.6 61.7 -7.0 157 195 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.939 110.5 53.1 -66.3 -45.3 71.7 60.0 -5.5 158 196 A R H X S+ 0 0 21 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.908 111.2 48.0 -55.1 -44.1 70.3 60.0 -2.0 159 197 A T H X S+ 0 0 62 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.916 110.9 48.5 -65.5 -45.2 67.2 58.3 -3.3 160 198 A A H X S+ 0 0 24 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.917 111.3 51.3 -64.0 -40.1 69.0 55.6 -5.3 161 199 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.938 111.4 47.7 -61.2 -45.5 71.2 54.9 -2.3 162 200 A D H X S+ 0 0 75 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.893 113.3 47.4 -63.6 -40.1 68.1 54.4 -0.1 163 201 A S H X S+ 0 0 72 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.937 112.5 48.8 -66.2 -47.7 66.4 52.2 -2.6 164 202 A Y H X S+ 0 0 15 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.936 113.5 48.4 -56.9 -45.0 69.5 50.1 -3.1 165 203 A S H X S+ 0 0 2 -4,-2.7 4,-2.8 -5,-0.2 6,-1.9 0.907 106.8 54.0 -64.5 -42.6 69.8 49.8 0.7 166 204 A A H < S+ 0 0 78 -4,-2.5 4,-0.3 4,-0.2 -1,-0.2 0.917 118.5 37.5 -58.0 -40.3 66.2 48.9 1.3 167 205 A A H < S+ 0 0 74 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.832 135.7 13.8 -82.5 -33.5 66.6 46.0 -1.2 168 206 A N H < S+ 0 0 51 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.397 124.6 43.4-129.3 8.9 70.2 44.9 -0.5 169 207 A A S >< S- 0 0 15 -4,-2.8 3,-2.7 -5,-0.3 -3,-0.1 0.104 97.8-111.4-141.0 26.3 71.5 46.2 2.8 170 208 A G T 3 S- 0 0 83 1,-0.3 -4,-0.2 -4,-0.3 -5,-0.1 0.800 82.8 -52.3 48.7 31.9 68.7 45.9 5.3 171 209 A G T 3 S+ 0 0 50 -6,-1.9 -1,-0.3 1,-0.2 -5,-0.2 0.558 83.4 173.0 85.5 4.5 68.4 49.6 5.3 172 210 A Q < - 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