==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-12 4AU0 . COMPND 2 MOLECULE: EXOGLUCANASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR M.WU,W.NERINCKX,K.PIENS,T.ISHIDA,H.HANSSON,J.STAHLBERG,M.SAN . 726 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 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 . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 2 0 2 4 0 0 0 2 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 4 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 . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 85 A T 0 0 133 0, 0.0 128,-0.1 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0 157.2 -21.0 13.3 3.1 2 86 A A + 0 0 16 126,-0.1 128,-0.2 124,-0.1 125,-0.1 0.821 360.0 74.5 -79.0 -34.2 -19.5 9.8 3.4 3 87 A T - 0 0 80 126,-0.1 2,-0.3 124,-0.0 170,-0.1 -0.328 65.4-162.6 -76.6 165.1 -20.6 8.4 0.0 4 88 A Y - 0 0 22 168,-0.5 170,-0.1 170,-0.1 -2,-0.0 -0.970 21.7-152.2-149.3 158.0 -19.0 9.5 -3.2 5 89 A S S S- 0 0 122 -2,-0.3 2,-0.1 2,-0.2 -1,-0.0 0.447 80.7 -14.8-116.2 -5.0 -19.8 9.4 -6.9 6 90 A G S S+ 0 0 25 1,-0.2 -2,-0.1 4,-0.1 207,-0.0 -0.283 121.8 29.2-156.4-115.2 -16.4 9.2 -8.6 7 91 A N > - 0 0 35 1,-0.1 3,-1.6 -2,-0.1 -1,-0.2 -0.530 65.7-149.2 -62.7 116.9 -12.9 9.9 -7.2 8 92 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 167,-0.0 0.558 92.5 62.7 -73.0 -6.6 -13.2 9.0 -3.5 9 93 A F T > S+ 0 0 8 288,-0.1 3,-1.1 296,-0.1 2,-0.3 0.503 79.8 105.9 -89.4 -9.1 -10.6 11.6 -2.5 10 94 A V T < S+ 0 0 93 -3,-1.6 -4,-0.1 1,-0.2 3,-0.1 -0.564 87.9 9.2 -74.2 130.9 -12.8 14.5 -3.8 11 95 A G T 3 S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.551 114.8 86.7 79.0 9.3 -14.4 16.6 -1.1 12 96 A V < - 0 0 18 -3,-1.1 -1,-0.2 67,-0.0 66,-0.2 -0.864 65.9-135.7-131.7 167.8 -12.4 15.0 1.8 13 97 A T E -a 78 0A 72 64,-2.2 66,-2.3 -2,-0.3 -3,-0.1 -0.988 29.6-119.9-125.0 121.7 -9.1 15.4 3.6 14 98 A P E -a 79 0A 29 0, 0.0 2,-0.4 0, 0.0 66,-0.2 -0.358 32.6-123.1 -61.5 137.3 -7.1 12.3 4.4 15 99 A W - 0 0 56 64,-2.7 2,-0.7 31,-0.1 66,-0.2 -0.677 8.0-137.3 -88.9 130.8 -6.6 12.0 8.1 16 100 A A - 0 0 29 -2,-0.4 33,-0.1 31,-0.2 28,-0.0 -0.788 33.0-132.2 -83.5 117.2 -3.1 11.8 9.6 17 101 A N > - 0 0 9 -2,-0.7 4,-1.3 31,-0.5 5,-0.1 -0.267 7.5-127.0 -77.2 158.2 -3.4 9.1 12.2 18 102 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.695 101.5 66.8 -73.6 -23.3 -2.2 9.2 15.9 19 103 A Y H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.967 107.1 36.8 -64.8 -55.2 -0.1 6.0 15.6 20 104 A Y H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.890 115.9 55.4 -64.0 -40.8 2.5 7.3 13.1 21 105 A A H X S+ 0 0 29 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.877 107.3 50.4 -60.1 -39.8 2.4 10.7 14.9 22 106 A S H X>S+ 0 0 68 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.905 109.0 51.5 -64.2 -43.3 3.2 9.0 18.2 23 107 A E H X>S+ 0 0 13 -4,-2.0 4,-2.2 3,-0.2 5,-1.1 0.954 114.3 43.1 -56.2 -51.2 6.2 7.1 16.5 24 108 A V H X>S+ 0 0 0 -4,-2.6 5,-2.9 3,-0.2 4,-1.1 0.956 120.8 39.7 -60.4 -52.1 7.6 10.4 15.2 25 109 A S H <5S+ 0 0 58 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.867 128.1 29.1 -70.3 -37.8 7.1 12.4 18.3 26 110 A S H <5S+ 0 0 80 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.716 131.9 30.0 -99.2 -24.5 8.0 9.8 20.9 27 111 A L H << > - 0 0 121 -2,-0.2 3,-1.2 4,-0.0 4,-0.6 -0.969 47.9 -25.0-135.3 154.6 18.0 18.5 17.5 34 118 A G H 3> S+ 0 0 55 -2,-0.3 4,-1.9 1,-0.2 3,-0.5 -0.139 124.2 5.9 56.1-134.3 17.3 21.9 16.0 35 119 A A H 3> S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.810 132.0 53.5 -51.4 -40.7 16.1 22.1 12.4 36 120 A M H <> S+ 0 0 40 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.902 107.6 50.7 -64.0 -41.8 15.8 18.3 12.1 37 121 A A H X S+ 0 0 20 -4,-0.6 4,-1.6 -3,-0.5 -2,-0.2 0.898 113.2 45.6 -63.2 -42.3 13.6 18.1 15.2 38 122 A T H X S+ 0 0 109 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.908 112.5 50.4 -67.2 -43.6 11.3 20.7 13.8 39 123 A A H X S+ 0 0 4 -4,-2.5 4,-1.4 1,-0.2 3,-0.4 0.884 107.3 55.1 -61.5 -40.3 11.2 19.1 10.4 40 124 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.910 101.5 56.7 -59.8 -45.1 10.3 15.8 11.9 41 125 A A H < S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 105.4 53.8 -54.8 -34.3 7.3 17.2 13.7 42 126 A A H >< S+ 0 0 40 -4,-1.1 3,-1.6 -3,-0.4 4,-0.3 0.864 101.2 57.5 -70.2 -38.7 6.0 18.4 10.3 43 127 A V H >< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.3 -1,-0.2 0.875 95.6 65.6 -57.4 -38.6 6.3 14.8 8.8 44 128 A A T 3< S+ 0 0 10 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.644 98.0 56.1 -59.8 -15.1 3.9 13.6 11.5 45 129 A K T < S+ 0 0 161 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.512 82.1 97.3 -96.7 -9.3 1.2 15.7 10.0 46 130 A V S < S- 0 0 14 -3,-2.1 2,-0.3 -4,-0.3 -31,-0.1 -0.703 83.5-117.0 -82.4 125.3 1.4 14.2 6.5 47 131 A P + 0 0 21 0, 0.0 262,-0.4 0, 0.0 2,-0.3 -0.490 40.9 170.8 -71.4 129.7 -1.3 11.6 6.2 48 132 A S - 0 0 3 -2,-0.3 -31,-0.5 -33,-0.2 262,-0.2 -0.915 37.4 -90.9-129.6 160.7 -0.1 8.0 5.6 49 133 A F - 0 0 1 260,-2.1 2,-0.6 -2,-0.3 33,-0.2 -0.393 29.8-131.0 -74.4 145.8 -2.0 4.7 5.7 50 134 A M E -b 82 0B 10 31,-2.3 33,-2.6 -2,-0.1 2,-0.5 -0.877 22.4-138.6 -94.6 124.2 -2.5 2.7 8.8 51 135 A W E -b 83 0B 36 -2,-0.6 2,-1.1 31,-0.2 3,-0.2 -0.715 7.8-156.4 -87.8 127.2 -1.6 -1.0 8.3 52 136 A L E +b 84 0B 0 31,-2.5 33,-0.9 -2,-0.5 6,-0.1 -0.624 33.0 156.3 -97.1 71.6 -3.9 -3.6 9.8 53 137 A D + 0 0 43 -2,-1.1 47,-0.4 31,-0.1 2,-0.3 0.582 62.3 30.6 -83.3 -11.6 -1.2 -6.2 9.8 54 138 A T S > S- 0 0 31 -3,-0.2 3,-1.1 45,-0.1 4,-0.2 -0.940 81.8-116.7-134.7 163.7 -2.7 -8.3 12.7 55 139 A L G > S+ 0 0 41 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.865 115.1 57.2 -63.6 -37.6 -6.3 -8.9 13.8 56 140 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.418 92.7 69.8 -82.8 7.4 -5.6 -7.2 17.2 57 141 A K G X> S+ 0 0 42 -3,-1.1 3,-1.3 1,-0.1 4,-0.8 0.543 76.0 88.2 -86.8 -12.7 -4.5 -4.1 15.3 58 142 A T H <> S+ 0 0 11 -3,-1.7 4,-1.6 1,-0.3 3,-0.5 0.784 75.8 62.6 -62.3 -28.8 -8.2 -3.7 14.3 59 143 A P H 3> S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.834 97.9 59.1 -63.6 -27.4 -9.0 -1.6 17.5 60 144 A L H <> S+ 0 0 40 -3,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.799 100.4 54.9 -68.2 -30.1 -6.6 1.0 16.2 61 145 A M H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.5 -1,-0.2 0.928 109.4 47.7 -64.2 -46.2 -8.7 1.3 13.1 62 146 A E H X S+ 0 0 64 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.890 110.0 51.5 -58.3 -44.5 -11.7 2.1 15.3 63 147 A Q H X S+ 0 0 110 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.868 110.7 49.0 -63.4 -38.1 -9.7 4.6 17.4 64 148 A T H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.939 111.6 48.6 -64.3 -47.6 -8.6 6.4 14.2 65 149 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.827 108.4 54.4 -63.6 -34.1 -12.2 6.5 13.0 66 150 A A H X S+ 0 0 34 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.903 108.3 49.6 -64.9 -43.1 -13.4 7.8 16.4 67 151 A D H X S+ 0 0 70 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 111.7 48.8 -57.7 -46.1 -10.9 10.6 16.0 68 152 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 10,-0.3 0.925 107.1 54.4 -63.3 -45.8 -12.1 11.4 12.5 69 153 A R H X S+ 0 0 81 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.907 110.9 47.2 -52.1 -46.9 -15.8 11.4 13.6 70 154 A T H >X S+ 0 0 79 -4,-1.9 3,-1.3 1,-0.2 4,-0.7 0.934 111.8 49.1 -58.9 -50.2 -14.9 14.0 16.2 71 155 A A H 3<>S+ 0 0 20 -4,-2.3 5,-0.7 1,-0.3 3,-0.3 0.770 101.9 64.0 -65.0 -27.4 -12.9 16.1 13.8 72 156 A N H 3<5S+ 0 0 40 -4,-2.2 3,-0.3 1,-0.2 -1,-0.3 0.665 93.5 62.7 -71.3 -16.8 -15.8 16.0 11.2 73 157 A K H <<5S+ 0 0 159 -3,-1.3 2,-1.8 -4,-0.5 -1,-0.2 0.874 91.2 65.5 -72.2 -40.5 -18.0 17.9 13.6 74 158 A N T <5S- 0 0 140 -4,-0.7 2,-1.1 -3,-0.3 -1,-0.2 -0.318 132.3 -83.0 -83.5 54.2 -15.8 21.0 13.6 75 159 A G T 5S+ 0 0 75 -2,-1.8 -1,-0.1 -3,-0.3 -3,-0.1 -0.069 95.3 130.0 75.8 -36.0 -16.5 21.8 9.9 76 160 A G < - 0 0 20 -2,-1.1 2,-0.2 -5,-0.7 -1,-0.2 0.050 46.5-158.2 -52.7 154.2 -13.8 19.3 8.9 77 161 A N + 0 0 61 -3,-0.1 -64,-2.2 -63,-0.0 2,-0.2 -0.647 25.8 172.4-137.1 77.3 -14.3 16.5 6.3 78 162 A Y E -a 13 0A 77 -10,-0.3 51,-0.5 -66,-0.2 2,-0.4 -0.583 18.9-151.6 -99.0 150.8 -11.7 13.9 7.0 79 163 A A E -a 14 0A 0 -66,-2.3 -64,-2.7 -2,-0.2 2,-0.3 -0.935 15.0-127.0-121.8 141.8 -11.2 10.4 5.5 80 164 A G E - c 0 130B 0 49,-2.4 51,-3.5 -2,-0.4 2,-0.4 -0.626 18.0-159.0 -89.3 147.1 -9.7 7.3 7.0 81 165 A Q E + c 0 131B 6 -2,-0.3 -31,-2.3 -66,-0.2 2,-0.3 -0.977 19.6 160.9-132.0 115.9 -6.9 5.4 5.3 82 166 A F E -bc 50 132B 1 49,-2.5 51,-2.0 -2,-0.4 2,-0.5 -0.958 31.8-134.5-137.5 153.2 -6.1 1.7 6.1 83 167 A V E -bc 51 133B 0 -33,-2.6 -31,-2.5 -2,-0.3 2,-0.7 -0.939 14.2-144.9-106.1 128.1 -4.3 -1.2 4.5 84 168 A V E +bc 52 134B 0 49,-3.1 51,-2.8 -2,-0.5 -31,-0.1 -0.852 39.9 153.0 -88.1 116.2 -5.9 -4.7 4.6 85 169 A Y + 0 0 19 -33,-0.9 -2,-0.1 -2,-0.7 49,-0.0 -0.522 24.5 97.3-154.8 75.0 -2.9 -6.9 5.1 86 170 A D + 0 0 0 -2,-0.1 28,-0.1 13,-0.1 -1,-0.1 0.094 39.1 158.4-154.2 31.4 -3.3 -10.3 6.8 87 171 A L > - 0 0 1 1,-0.1 3,-0.8 -3,-0.1 14,-0.3 -0.220 51.2-102.0 -55.8 145.9 -3.6 -13.0 4.2 88 172 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.516 112.4 19.1 -68.2 144.7 -2.8 -16.6 5.3 89 173 A D T 3 S- 0 0 33 12,-2.0 3,-0.3 -2,-0.2 13,-0.1 0.916 99.8-167.5 51.3 47.3 0.7 -17.5 4.0 90 174 A R < + 0 0 12 -3,-0.8 9,-0.2 11,-0.5 4,-0.1 -0.201 57.5 19.9 -60.0 150.6 1.3 -13.7 3.6 91 175 A D S > S- 0 0 26 45,-0.3 3,-2.0 1,-0.1 -1,-0.2 0.913 75.0-176.8 59.1 53.4 4.3 -12.3 1.7 92 176 A a T 3 S+ 0 0 3 -3,-0.3 59,-0.3 1,-0.3 58,-0.3 0.609 72.6 46.8 -69.2 -15.5 4.8 -15.5 -0.2 93 177 A A T 3 S+ 0 0 43 57,-0.1 -1,-0.3 58,-0.1 2,-0.3 0.237 115.4 44.1-107.3 12.0 7.9 -14.6 -2.2 94 178 A A < - 0 0 10 -3,-2.0 234,-0.0 -4,-0.1 232,-0.0 -0.848 62.7-145.8-142.3 177.4 9.8 -13.1 0.7 95 179 A L S > S+ 0 0 102 -2,-0.3 3,-0.8 231,-0.1 233,-0.1 0.516 79.8 80.7-122.5 -12.9 10.5 -13.8 4.4 96 180 A A T 3 S+ 0 0 0 1,-0.2 247,-0.5 222,-0.1 223,-0.2 0.786 99.1 35.4 -72.2 -29.9 10.6 -10.4 6.1 97 181 A S T 3 S+ 0 0 24 -6,-0.2 -1,-0.2 221,-0.1 -2,-0.1 -0.062 74.5 157.2-121.6 32.1 6.9 -9.9 6.5 98 182 A N < - 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0 0 15 -2,-0.5 -49,-2.4 -51,-0.5 2,-0.5 -0.550 32.7-162.1 -68.8 132.3 -15.2 7.9 4.1 130 214 A T E -cd 80 174B 0 43,-2.9 45,-2.2 -2,-0.3 2,-0.5 -0.970 10.3-160.7-131.6 118.6 -12.8 5.0 4.3 131 215 A L E -cd 81 175B 0 -51,-3.5 -49,-2.5 -2,-0.5 2,-0.4 -0.884 15.3-169.9-107.7 126.8 -10.0 4.4 1.8 132 216 A L E -cd 82 176B 0 43,-3.0 45,-2.3 -2,-0.5 2,-0.5 -0.940 21.3-154.3-125.3 134.8 -8.5 0.9 1.7 133 217 A V E -cd 83 177B 0 -51,-2.0 -49,-3.1 -2,-0.4 2,-0.7 -0.941 27.8-137.7 -98.7 129.3 -5.5 -0.7 0.1 134 218 A I E -cd 84 178B 2 43,-2.7 45,-2.4 -2,-0.5 -49,-0.1 -0.811 56.3 -40.3 -98.9 110.5 -6.2 -4.4 -0.4 135 219 A E >> - 0 0 1 -51,-2.8 3,-0.9 -2,-0.7 4,-0.5 0.876 65.6-133.4 49.9 71.9 -3.4 -6.9 0.4 136 220 A P T 34 S+ 0 0 12 0, 0.0 2,-0.7 0, 0.0 -45,-0.3 -0.160 82.1 6.3 -50.3 140.5 0.0 -5.6 -0.9 137 221 A A T 3> S+ 0 0 18 1,-0.1 4,-2.2 -46,-0.1 5,-0.2 -0.090 101.6 101.5 82.3 -32.1 2.2 -8.0 -2.9 138 222 A S H <> S+ 0 0 7 -3,-0.9 4,-1.2 -2,-0.7 3,-0.3 0.916 84.6 33.4 -52.5 -67.6 -0.3 -10.8 -3.0 139 223 A L H X S+ 0 0 2 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.860 116.5 57.0 -62.2 -38.0 -1.8 -10.6 -6.6 140 224 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.882 104.6 53.1 -59.2 -39.2 1.5 -9.4 -8.1 141 225 A N H X S+ 0 0 4 -4,-2.2 4,-2.2 -3,-0.3 -1,-0.2 0.817 106.1 54.2 -64.2 -30.0 3.1 -12.6 -6.6 142 226 A L H < S+ 0 0 11 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.818 109.9 46.8 -75.0 -29.8 0.4 -14.7 -8.4 143 227 A V H < S+ 0 0 33 -4,-1.6 -2,-0.2 -3,-0.1 -1,-0.2 0.927 131.5 14.8 -70.8 -46.5 1.2 -13.1 -11.7 144 228 A T H < S+ 0 0 42 -4,-2.0 3,-0.3 -5,-0.1 -2,-0.2 0.615 120.1 54.7-110.9 -19.3 4.9 -13.4 -11.6 145 229 A N >< + 0 0 45 -4,-2.2 3,-2.2 -5,-0.3 7,-0.3 -0.017 52.7 121.2-120.5 31.4 5.9 -15.9 -8.8 146 230 A L T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -4,-0.2 6,-0.1 0.657 73.9 69.8 -66.5 -13.3 4.1 -19.2 -9.4 147 231 A G T 3 S+ 0 0 78 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.554 81.2 85.9 -76.4 -11.0 7.7 -20.6 -9.6 148 232 A T S X> S- 0 0 45 -3,-2.2 4,-2.5 -7,-0.2 3,-1.0 -0.865 79.3-144.0 -91.7 115.4 7.9 -19.9 -5.9 149 233 A P H 3> S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.815 97.4 54.0 -49.8 -41.3 6.4 -23.0 -4.1 150 234 A K H 3> S+ 0 0 64 -58,-0.3 4,-0.6 1,-0.2 -57,-0.1 0.846 113.6 42.6 -64.1 -36.0 4.8 -20.9 -1.3 151 235 A a H <> S+ 0 0 0 -3,-1.0 4,-0.7 -6,-0.3 3,-0.4 0.900 111.8 53.7 -76.8 -42.5 3.0 -18.7 -3.8 152 236 A A H >< S+ 0 0 37 -4,-2.5 3,-0.7 -7,-0.3 4,-0.3 0.905 112.8 44.0 -57.1 -44.5 2.0 -21.6 -6.0 153 237 A N H 3< S+ 0 0 134 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.676 110.9 55.4 -76.9 -16.1 0.3 -23.3 -3.1 154 238 A A H 3X S+ 0 0 0 -4,-0.6 4,-3.3 -3,-0.4 5,-0.2 0.532 80.2 98.4 -91.0 -6.7 -1.3 -20.1 -1.8 155 239 A Q H S+ 0 0 99 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.878 118.3 50.9 -63.2 -38.5 -6.6 -20.7 -4.4 157 241 A A H > S+ 0 0 9 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.938 110.5 49.1 -63.2 -47.9 -6.5 -19.4 -0.8 158 242 A Y H X S+ 0 0 1 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.918 113.5 45.8 -56.0 -48.0 -5.4 -15.9 -1.9 159 243 A L H X S+ 0 0 54 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.878 114.0 48.2 -70.1 -36.9 -8.2 -15.7 -4.5 160 244 A E H X S+ 0 0 94 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.934 115.7 45.5 -62.8 -46.4 -10.8 -17.0 -2.2 161 245 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.901 112.9 47.8 -66.0 -45.0 -9.7 -14.5 0.5 162 246 A I H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.906 110.0 53.3 -66.7 -41.1 -9.4 -11.5 -1.7 163 247 A N H X S+ 0 0 46 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.901 110.4 48.8 -54.0 -42.6 -12.9 -12.2 -3.2 164 248 A Y H X S+ 0 0 47 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.904 111.6 49.6 -65.7 -41.8 -14.2 -12.3 0.4 165 249 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.940 112.8 44.2 -62.5 -50.8 -12.4 -9.0 1.2 166 250 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.700 119.0 43.5 -75.3 -19.3 -13.7 -7.0 -1.8 167 251 A T H >< S+ 0 0 46 -4,-1.4 3,-0.8 -5,-0.2 -1,-0.2 0.852 116.5 44.9 -86.7 -42.4 -17.3 -8.4 -1.4 168 252 A Q H 3< S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.730 117.0 44.7 -75.8 -23.7 -17.5 -8.0 2.4 169 253 A L T 3< S+ 0 0 0 -4,-1.9 2,-1.7 -5,-0.2 -1,-0.2 0.237 78.9 118.6-102.6 12.8 -16.0 -4.5 2.4 170 254 A N < + 0 0 61 -3,-0.8 40,-0.1 -5,-0.1 -4,-0.1 -0.614 42.8 143.1 -77.1 84.4 -18.1 -3.4 -0.6 171 255 A L > - 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