==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-12 4B4H . COMPND 2 MOLECULE: BETA-1,4-EXOCELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR M.SANDGREN,M.WU,J.STAHLBERG,S.KARKEHABADI,C.MITCHINSON,B.R.K . 826 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.7 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 . 3 0.4 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 . 50 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 6 0 0 2 4 4 1 2 4 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 2 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 PARALLEL BRIDGES PER LADDER . 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 139 A E 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -79.3 8.8 -22.2 47.0 2 140 A K - 0 0 63 3,-0.0 171,-0.1 173,-0.0 173,-0.0 0.300 360.0 -55.3 64.6 153.2 9.0 -19.3 49.5 3 141 A V - 0 0 53 1,-0.1 5,-0.0 3,-0.0 0, 0.0 -0.211 47.5-119.1 -59.4 150.3 6.0 -16.9 49.6 4 142 A D S S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 273,-0.0 0.811 105.0 14.5 -56.5 -35.0 5.0 -15.2 46.3 5 143 A N > - 0 0 5 3,-0.1 3,-1.4 1,-0.1 -1,-0.3 -0.906 66.9-157.4-147.8 107.7 5.7 -11.8 47.8 6 144 A P T 3 S+ 0 0 0 0, 0.0 116,-0.1 0, 0.0 -1,-0.1 0.742 95.9 55.2 -65.9 -19.1 7.7 -11.6 51.0 7 145 A F T > S+ 0 0 4 334,-0.1 3,-1.2 2,-0.1 2,-0.3 0.643 84.6 104.3 -81.6 -17.1 6.3 -8.1 51.8 8 146 A E T < S- 0 0 110 -3,-1.4 -3,-0.1 1,-0.3 3,-0.1 -0.499 97.7 -6.2 -73.0 126.6 2.7 -9.5 51.6 9 147 A G T 3 S+ 0 0 71 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.776 108.8 121.5 60.5 30.2 1.0 -9.9 55.0 10 148 A A < - 0 0 19 -3,-1.2 59,-0.3 57,-0.1 -1,-0.2 -0.941 63.2-127.1-123.3 143.6 4.2 -9.1 56.8 11 149 A K E -a 69 0A 98 57,-2.5 59,-2.3 -2,-0.4 2,-0.4 -0.526 35.9-123.7 -69.5 154.7 5.3 -6.5 59.4 12 150 A L E -a 70 0A 51 57,-0.2 59,-0.2 -2,-0.2 -5,-0.0 -0.896 21.5-106.8-109.4 137.9 8.4 -4.6 58.3 13 151 A Y - 0 0 0 57,-3.0 2,-0.5 -2,-0.4 23,-0.3 -0.254 25.1-152.5 -53.7 138.4 11.6 -4.4 60.3 14 152 A V - 0 0 33 21,-0.2 21,-0.2 45,-0.1 3,-0.1 -0.981 14.8-135.4-115.2 121.4 12.4 -1.1 62.0 15 153 A N > - 0 0 12 -2,-0.5 4,-3.1 19,-0.4 5,-0.2 -0.650 9.6-157.8 -79.7 112.4 16.1 -0.4 62.5 16 154 A P H > S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.863 91.2 55.0 -61.5 -36.0 16.5 0.9 66.0 17 155 A V H > S+ 0 0 62 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.973 114.2 38.3 -57.7 -59.3 19.9 2.5 65.1 18 156 A W H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.920 112.5 58.4 -57.8 -46.2 18.4 4.5 62.2 19 157 A S H 3X S+ 0 0 23 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.845 100.9 55.9 -54.0 -38.6 15.2 5.2 64.1 20 158 A A H 3X S+ 0 0 67 -4,-1.8 4,-0.6 -3,-0.4 -1,-0.2 0.799 108.7 46.6 -69.1 -30.0 17.1 7.0 66.9 21 159 A K H < S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.938 110.7 49.3 -71.7 -48.7 15.5 10.2 62.7 23 161 A A H 3< S+ 0 0 50 -4,-2.6 6,-0.4 1,-0.3 4,-0.2 0.711 104.2 62.7 -63.4 -23.8 13.4 10.8 65.8 24 162 A A H 3< S+ 0 0 79 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.699 88.0 84.0 -76.3 -23.2 16.2 13.1 67.1 25 163 A E S X< S- 0 0 27 -3,-1.2 3,-3.3 -4,-0.5 4,-0.4 -0.593 103.4 -85.6 -79.3 144.2 15.7 15.6 64.3 26 164 A P T 3 S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.280 117.6 -0.3 -50.0 116.3 13.0 18.2 64.6 27 165 A G T > S+ 0 0 49 -4,-0.2 3,-1.3 1,-0.1 4,-0.2 0.427 96.8 124.4 81.0 0.4 9.9 16.5 63.3 28 166 A G G X> + 0 0 0 -3,-3.3 3,-1.5 1,-0.2 4,-1.0 0.691 54.2 76.5 -65.4 -21.0 11.8 13.3 62.6 29 167 A S G 34 S+ 0 0 80 -6,-0.4 4,-0.4 -4,-0.4 3,-0.3 0.814 80.6 72.4 -60.6 -27.5 9.5 11.1 64.8 30 168 A A G <4 S+ 0 0 53 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.739 115.4 20.6 -58.6 -27.2 7.0 11.3 61.9 31 169 A V T X4 S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.2 -1,-0.2 0.380 94.5 99.5-122.3 2.5 9.2 8.9 59.9 32 170 A A T 3< S+ 0 0 3 -4,-1.0 -9,-0.1 -3,-0.3 -2,-0.1 0.650 81.2 58.0 -69.9 -12.9 11.3 7.3 62.6 33 171 A N T 3 S+ 0 0 120 -4,-0.4 -1,-0.3 -11,-0.1 2,-0.2 0.147 82.6 113.9 -97.4 13.2 9.0 4.2 62.6 34 172 A E S < S- 0 0 49 -3,-1.8 2,-0.4 -19,-0.1 -19,-0.4 -0.588 72.8-108.4 -85.8 151.1 9.6 3.5 58.9 35 173 A S + 0 0 5 -2,-0.2 310,-0.4 -21,-0.2 2,-0.3 -0.675 38.7 178.5 -79.9 130.4 11.4 0.3 57.7 36 174 A T - 0 0 0 -2,-0.4 36,-0.3 -23,-0.3 310,-0.2 -0.935 30.5-105.3-129.7 151.2 14.9 0.8 56.2 37 175 A A - 0 0 1 308,-1.1 2,-0.5 309,-0.9 36,-0.2 -0.404 26.1-124.3 -75.1 151.0 17.4 -1.8 54.9 38 176 A V E -b 73 0A 7 34,-2.5 36,-2.9 -2,-0.1 2,-0.6 -0.876 28.7-139.9 -94.3 126.5 20.4 -2.9 56.9 39 177 A W E -b 74 0A 44 -2,-0.5 2,-1.1 34,-0.2 36,-0.1 -0.795 19.1-170.5 -96.6 115.9 23.5 -2.3 54.7 40 178 A L E +b 75 0A 2 34,-2.5 36,-1.4 -2,-0.6 3,-0.0 -0.707 29.1 151.8 -98.5 80.6 26.3 -4.9 54.8 41 179 A D + 0 0 28 -2,-1.1 50,-0.3 34,-0.1 2,-0.3 0.280 61.8 21.5 -99.8 7.8 28.7 -2.7 52.8 42 180 A R S > S- 0 0 88 -3,-0.1 3,-1.6 48,-0.1 4,-0.4 -0.961 85.4-100.3-165.5 161.4 31.9 -4.1 54.2 43 181 A I T >> S+ 0 0 36 -2,-0.3 3,-1.5 1,-0.3 4,-0.6 0.857 116.9 60.6 -53.6 -37.1 33.2 -7.3 56.0 44 182 A G H 3> S+ 0 0 25 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.636 90.8 67.6 -71.4 -15.4 33.0 -5.5 59.4 45 183 A A H <4 S+ 0 0 16 -3,-1.6 8,-0.4 2,-0.2 -1,-0.3 0.663 88.4 68.4 -76.3 -17.8 29.3 -4.9 59.2 46 184 A I H <4 S+ 0 0 7 -3,-1.5 7,-2.8 -4,-0.4 8,-0.6 0.982 117.3 20.1 -68.4 -57.6 28.6 -8.7 59.4 47 185 A E H < S- 0 0 128 -4,-0.6 5,-0.4 5,-0.2 -1,-0.2 0.638 92.9-146.4 -79.3 -18.8 29.8 -9.0 63.1 48 186 A G < 0 0 34 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 0.305 360.0 360.0 66.8 -11.4 29.3 -5.3 63.6 49 187 A N 0 0 175 -5,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.012 360.0 360.0 36.5 360.0 32.3 -5.7 65.9 50 ! 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 51 195 A M 0 0 87 0, 0.0 -3,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 118.4 24.6 -4.1 65.6 52 196 A G > - 0 0 2 -5,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.324 360.0 -87.3 -88.2-178.7 25.9 -6.9 63.4 53 197 A L H > S+ 0 0 0 -7,-2.8 4,-2.5 -8,-0.4 5,-0.2 0.927 131.6 50.7 -56.1 -47.2 23.8 -9.0 61.1 54 198 A R H > S+ 0 0 127 -8,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.921 109.6 52.1 -57.3 -46.3 23.0 -11.4 64.0 55 199 A D H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 111.8 44.7 -55.1 -48.8 22.0 -8.4 66.2 56 200 A H H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.849 112.7 51.8 -65.8 -36.2 19.6 -7.0 63.5 57 201 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.907 108.1 50.5 -69.6 -40.7 18.1 -10.4 62.8 58 202 A E H X S+ 0 0 31 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.883 111.1 50.1 -57.2 -43.2 17.5 -11.1 66.6 59 203 A E H X S+ 0 0 49 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.910 108.4 52.2 -64.8 -42.3 15.7 -7.7 66.7 60 204 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.901 108.8 50.6 -58.6 -41.7 13.6 -8.6 63.7 61 205 A V H >X S+ 0 0 5 -4,-2.1 4,-1.0 2,-0.2 3,-0.6 0.943 110.7 49.4 -60.7 -48.5 12.5 -11.8 65.4 62 206 A R H >< S+ 0 0 60 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.924 110.6 49.7 -57.2 -45.8 11.6 -9.9 68.5 63 207 A Q H 3< S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.721 101.8 65.7 -66.7 -21.7 9.6 -7.4 66.5 64 208 A S H X< S- 0 0 0 -4,-1.2 3,-1.7 -3,-0.6 -1,-0.2 0.845 78.6-160.1 -69.9 -37.1 7.7 -10.2 64.6 65 209 A G T << S- 0 0 22 -4,-1.0 -3,-0.1 -3,-0.6 -1,-0.1 0.524 73.3 -55.4 65.2 6.5 5.9 -11.6 67.7 66 210 A G T 3 S+ 0 0 12 1,-0.5 -1,-0.3 -5,-0.4 54,-0.1 0.226 118.3 104.2 108.6 -13.9 5.4 -14.8 65.8 67 211 A D S < S- 0 0 84 -3,-1.7 -1,-0.5 1,-0.1 -57,-0.1 -0.570 87.8 -72.0 -92.4 161.7 3.7 -13.3 62.8 68 212 A P + 0 0 24 0, 0.0 -57,-2.5 0, 0.0 2,-0.3 -0.273 56.4 178.0 -56.4 135.8 5.5 -12.8 59.4 69 213 A L E -ac 11 121A 2 51,-2.6 53,-3.2 -59,-0.3 2,-0.4 -0.989 16.3-146.4-141.2 150.8 8.1 -10.0 59.4 70 214 A T E -ac 12 122A 1 -59,-2.3 -57,-3.0 -2,-0.3 2,-0.4 -0.965 12.1-177.3-129.1 122.5 10.4 -8.8 56.6 71 215 A I E - c 0 123A 0 51,-2.3 53,-2.3 -2,-0.4 2,-0.5 -0.964 18.6-141.5-117.2 137.3 13.9 -7.3 57.0 72 216 A Q E - c 0 124A 3 -2,-0.4 -34,-2.5 -36,-0.3 2,-0.4 -0.840 15.7-171.8-104.4 131.1 15.9 -6.0 54.1 73 217 A V E -bc 38 125A 0 51,-2.6 53,-2.7 -2,-0.5 2,-0.5 -0.991 14.8-142.9-122.8 126.8 19.7 -6.7 54.0 74 218 A V E -bc 39 126A 0 -36,-2.9 -34,-2.5 -2,-0.4 2,-0.6 -0.818 6.5-156.6 -96.1 123.3 21.9 -5.0 51.3 75 219 A I E +bc 40 127A 0 51,-3.0 53,-2.8 -2,-0.5 54,-0.3 -0.890 31.7 150.8 -95.6 118.7 24.7 -7.2 50.0 76 220 A Y + 0 0 28 -36,-1.4 51,-0.1 -2,-0.6 -2,-0.1 -0.482 25.3 97.5-160.2 70.8 27.3 -4.8 48.6 77 221 A N + 0 0 0 -2,-0.1 15,-0.1 13,-0.1 4,-0.1 0.129 39.8 161.3-151.5 30.6 31.0 -5.7 48.6 78 222 A L > - 0 0 1 1,-0.1 3,-1.0 -3,-0.1 14,-0.2 -0.094 50.8 -96.1 -56.2 149.6 32.0 -7.0 45.1 79 223 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.454 114.2 16.6 -63.1 142.3 35.7 -7.1 44.2 80 224 A G T 3 S- 0 0 5 12,-1.8 3,-0.3 1,-0.1 13,-0.2 0.857 99.9-159.6 61.5 38.4 36.6 -4.0 42.2 81 225 A R < + 0 0 12 -3,-1.0 -1,-0.1 11,-0.9 9,-0.1 -0.014 62.2 10.6 -54.8 146.2 33.3 -2.4 43.5 82 226 A D S > S- 0 0 11 48,-0.5 3,-2.3 47,-0.3 -1,-0.2 0.924 77.7-170.7 56.4 52.1 31.7 0.5 41.7 83 227 A a T 3 S+ 0 0 2 -3,-0.3 65,-0.6 47,-0.3 64,-0.3 0.541 76.4 48.3 -64.2 -12.2 34.1 0.1 38.8 84 228 A A T 3 S+ 0 0 5 46,-0.2 -1,-0.3 63,-0.1 296,-0.1 0.535 88.7 106.9 -99.3 -11.9 33.1 3.3 37.0 85 229 A A S < S- 0 0 36 -3,-2.3 3,-0.1 1,-0.1 283,-0.0 -0.314 74.3-128.8 -73.0 151.4 33.3 5.6 40.1 86 230 A L S S+ 0 0 84 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.844 98.4 9.2 -62.1 -36.0 36.1 8.1 40.6 87 231 A A S S- 0 0 18 279,-0.1 2,-0.4 -5,-0.1 -1,-0.2 -0.993 72.8-153.7-143.8 142.0 36.6 6.6 44.0 88 232 A S - 0 0 41 -2,-0.3 278,-0.5 -3,-0.1 -6,-0.1 -0.977 14.1-159.8-122.6 138.2 35.2 3.5 45.6 89 233 A N + 0 0 36 -2,-0.4 -1,-0.1 276,-0.2 -7,-0.1 0.536 58.9 119.3 -83.2 -10.5 34.6 2.8 49.3 90 234 A G - 0 0 16 1,-0.2 -2,-0.1 -9,-0.1 -48,-0.1 -0.347 56.8-151.9 -58.5 129.6 34.5 -0.9 48.6 91 235 A E S S+ 0 0 85 -50,-0.3 2,-0.6 2,-0.1 -1,-0.2 0.739 70.2 86.6 -80.3 -20.1 37.3 -2.6 50.5 92 236 A L S S- 0 0 5 -14,-0.2 -12,-1.8 -15,-0.1 -11,-0.9 -0.685 70.8-142.2 -91.4 123.0 37.7 -5.5 48.1 93 237 A G > - 0 0 19 -2,-0.6 3,-1.9 -14,-0.3 -2,-0.1 -0.145 31.4 -92.5 -72.7 174.7 40.0 -5.0 45.1 94 238 A P T 3 S+ 0 0 41 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.706 124.5 45.3 -65.0 -24.0 39.5 -6.2 41.5 95 239 A D T 3 S+ 0 0 113 1,-0.2 3,-0.5 2,-0.1 -2,-0.0 0.381 90.0 92.9 -97.3 5.7 41.5 -9.5 42.1 96 240 A E X> + 0 0 69 -3,-1.9 4,-2.0 1,-0.2 3,-0.8 0.067 36.5 122.3 -95.4 27.9 39.8 -10.3 45.4 97 241 A L H 3> S+ 0 0 29 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.884 74.5 58.1 -54.1 -41.8 36.9 -12.5 44.3 98 242 A D H 3> S+ 0 0 128 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.865 107.5 46.3 -58.4 -36.2 38.2 -15.3 46.6 99 243 A R H <>>S+ 0 0 123 -3,-0.8 4,-2.4 2,-0.2 5,-0.6 0.850 109.1 56.0 -72.4 -37.2 38.0 -13.0 49.7 100 244 A Y H X>S+ 0 0 0 -4,-2.0 5,-2.4 3,-0.2 4,-0.8 0.927 113.0 41.9 -56.6 -45.2 34.5 -11.9 48.6 101 245 A K H <>S+ 0 0 57 -4,-2.4 5,-1.9 3,-0.2 -2,-0.2 0.945 125.2 30.5 -71.4 -50.4 33.4 -15.6 48.6 102 246 A S H <5S+ 0 0 61 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.770 128.9 32.0 -83.6 -31.1 35.1 -16.8 51.8 103 247 A E H <5S+ 0 0 86 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.1 0.497 130.5 24.9-109.0 -9.2 35.2 -13.8 54.1 104 248 A Y T X S+ 0 0 36 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.802 113.9 51.4 -66.6 -30.8 29.8 -15.8 56.9 108 252 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.906 109.9 49.4 -69.2 -41.8 26.6 -14.0 55.9 109 253 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.910 107.6 55.7 -59.0 -42.6 25.2 -17.2 54.6 110 254 A D H X S+ 0 0 98 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.850 109.9 44.8 -61.5 -38.2 26.1 -18.9 57.9 111 255 A I H X S+ 0 0 15 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.914 112.6 49.8 -73.0 -42.7 24.2 -16.3 59.9 112 256 A M H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.888 105.4 58.7 -65.4 -35.8 21.1 -16.4 57.7 113 257 A W H >< S+ 0 0 114 -4,-2.5 3,-1.4 1,-0.2 4,-0.4 0.919 100.8 55.6 -56.8 -45.2 21.0 -20.2 57.9 114 258 A D H >< S+ 0 0 103 -4,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.949 107.7 49.7 -51.3 -49.1 20.7 -20.0 61.6 115 259 A F H >< S+ 0 0 19 -4,-1.5 3,-1.9 1,-0.3 -1,-0.3 0.559 84.9 86.7 -72.4 -7.9 17.6 -17.8 61.3 116 260 A A T << S+ 0 0 17 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.720 74.5 75.6 -62.1 -20.8 15.9 -20.2 58.8 117 261 A D T < S+ 0 0 55 -3,-1.4 2,-0.8 -4,-0.4 -1,-0.3 0.655 81.4 74.0 -66.4 -19.1 14.6 -22.0 61.8 118 262 A Y X - 0 0 3 -3,-1.9 3,-1.5 1,-0.2 -1,-0.1 -0.871 69.9-165.3-100.0 106.4 12.1 -19.2 62.3 119 263 A E T 3 S+ 0 0 144 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.790 80.6 56.1 -63.5 -35.2 9.5 -19.7 59.6 120 264 A N T 3 S+ 0 0 51 -52,-0.1 -51,-2.6 -54,-0.1 2,-0.5 0.351 84.1 96.9 -88.3 6.8 7.8 -16.3 59.8 121 265 A L E < -c 69 0A 0 -3,-1.5 2,-0.5 -53,-0.2 -51,-0.2 -0.858 55.8-165.3 -93.5 128.8 11.0 -14.2 59.2 122 266 A R E -c 70 0A 26 -53,-3.2 -51,-2.3 -2,-0.5 2,-0.7 -0.964 3.1-161.7-115.5 121.5 11.5 -13.1 55.6 123 267 A I E -cd 71 174A 0 50,-2.9 52,-3.1 -2,-0.5 2,-0.6 -0.937 2.8-164.5-105.0 111.5 15.0 -11.9 54.7 124 268 A V E -cd 72 175A 0 -53,-2.3 -51,-2.6 -2,-0.7 2,-0.5 -0.893 11.1-159.0 -93.9 119.2 14.9 -9.8 51.5 125 269 A A E -cd 73 176A 0 50,-2.2 52,-3.1 -2,-0.6 2,-0.7 -0.917 8.7-148.2-106.5 122.3 18.5 -9.5 50.2 126 270 A I E -cd 74 177A 0 -53,-2.7 -51,-3.0 -2,-0.5 2,-0.9 -0.833 22.0-139.3 -89.9 116.9 19.4 -6.7 47.8 127 271 A I E -cd 75 178A 1 50,-3.4 52,-1.9 -2,-0.7 -51,-0.1 -0.693 51.7 -44.4 -96.2 103.7 22.2 -8.1 45.6 128 272 A E > - 0 0 0 -53,-2.8 3,-0.6 -2,-0.9 4,-0.3 0.960 59.1-145.5 56.5 83.8 25.1 -5.8 44.7 129 273 A I T 3 S+ 0 0 16 -54,-0.3 -47,-0.3 1,-0.2 -1,-0.1 -0.310 79.7 22.0 -72.3 159.9 24.1 -2.3 43.7 130 274 A D T 3 S+ 0 0 43 90,-0.1 -48,-0.5 1,-0.1 -47,-0.3 0.875 104.5 100.7 54.1 42.7 26.1 -0.3 41.1 131 275 A S X + 0 0 2 -3,-0.6 3,-2.3 -49,-0.1 4,-0.5 0.485 68.0 29.5-118.5 -99.1 27.5 -3.6 39.6 132 276 A L T > S+ 0 0 0 -4,-0.3 3,-1.4 1,-0.3 4,-0.3 0.708 110.7 60.4 -46.8 -41.2 26.3 -5.5 36.5 133 277 A P T >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.2 0.764 92.8 68.5 -68.2 -16.5 25.0 -2.6 34.4 134 278 A N H <> S+ 0 0 2 -3,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.844 93.3 59.1 -60.9 -33.0 28.6 -1.1 34.5 135 279 A L H <4 S+ 0 0 13 -3,-1.4 -1,-0.2 -4,-0.5 -3,-0.1 0.538 109.8 43.6 -75.9 -8.3 29.6 -4.0 32.3 136 280 A V H <4 S+ 0 0 40 -3,-1.2 -2,-0.2 -4,-0.3 3,-0.2 0.819 129.7 19.0 -92.2 -47.5 27.1 -2.9 29.6 137 281 A T H < S+ 0 0 38 -4,-2.0 3,-0.2 1,-0.1 -3,-0.2 0.661 121.1 49.5-107.8 -24.7 27.6 0.8 29.6 138 282 A N S < S+ 0 0 16 -4,-2.3 7,-2.5 -5,-0.3 11,-0.3 0.047 84.8 84.7-112.8 28.5 31.0 1.7 31.1 139 283 A V S S+ 0 0 36 5,-0.3 2,-0.2 -3,-0.2 -1,-0.1 0.673 95.9 18.1-103.0 -21.1 33.4 -0.7 29.2 140 284 A G S S+ 0 0 50 -3,-0.2 4,-0.2 -4,-0.1 5,-0.0 -0.782 96.6 25.6-136.6 179.8 34.1 1.3 26.1 141 285 A G S > S- 0 0 71 -2,-0.2 3,-2.3 2,-0.2 2,-0.5 0.167 105.9 -18.1 63.4-178.0 33.8 4.9 24.7 142 286 A N T 3 S+ 0 0 165 1,-0.3 -2,-0.1 237,-0.1 3,-0.1 -0.539 140.2 27.7 -58.6 115.0 33.9 8.2 26.5 143 287 A G T 3 S+ 0 0 15 -2,-0.5 -1,-0.3 1,-0.4 -2,-0.2 0.176 89.3 131.5 109.0 -15.0 33.1 7.2 30.0 144 288 A G < - 0 0 31 -3,-2.3 -1,-0.4 -4,-0.2 2,-0.4 -0.392 43.8-150.2 -63.6 145.0 34.5 3.7 29.8 145 289 A T > - 0 0 31 -7,-2.5 4,-2.2 1,-0.1 5,-0.2 -0.957 20.6-136.1-121.2 146.2 36.8 2.7 32.6 146 290 A E H > S+ 0 0 179 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.862 108.2 57.8 -63.3 -36.2 39.8 0.3 32.7 147 291 A L H > S+ 0 0 61 -64,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.931 107.0 45.8 -57.7 -49.3 38.4 -1.1 36.0 148 292 A a H > S+ 0 0 0 -65,-0.6 4,-2.3 -10,-0.3 5,-0.2 0.934 111.4 51.6 -61.5 -47.1 35.0 -2.0 34.4 149 293 A A H X S+ 0 0 36 -4,-2.2 4,-2.8 -11,-0.3 -1,-0.2 0.919 110.9 50.3 -52.8 -44.5 36.7 -3.6 31.4 150 294 A Y H X S+ 0 0 104 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.880 109.3 48.8 -60.7 -44.8 38.8 -5.6 33.8 151 295 A M H X>S+ 0 0 0 -4,-2.1 5,-1.1 2,-0.2 4,-0.9 0.842 113.3 48.8 -67.9 -30.8 35.9 -6.8 35.9 152 296 A K H <5S+ 0 0 124 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.932 113.6 46.1 -70.5 -46.4 34.1 -7.8 32.6 153 297 A Q H <5S+ 0 0 168 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 118.3 41.1 -62.9 -41.5 37.1 -9.7 31.3 154 298 A N H <5S- 0 0 64 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.563 101.9-130.4 -88.6 -8.4 37.8 -11.5 34.6 155 299 A G T X5 + 0 0 14 -4,-0.9 4,-2.6 -3,-0.3 5,-0.3 0.735 59.8 141.1 70.8 25.7 34.1 -12.2 35.4 156 300 A G H > S+ 0 0 0 -6,-0.5 4,-2.7 2,-0.2 5,-0.3 0.938 119.4 46.5 -62.5 -50.9 31.0 -9.2 39.0 158 302 A V H > S+ 0 0 9 -7,-0.3 4,-2.3 1,-0.2 47,-0.2 0.948 120.2 38.5 -61.0 -50.3 29.2 -11.9 37.1 159 303 A N H X S+ 0 0 60 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.842 115.5 52.7 -71.6 -35.4 30.7 -14.8 39.1 160 304 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.968 112.4 45.0 -60.3 -55.8 30.5 -12.8 42.5 161 305 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.894 111.6 53.4 -54.9 -46.2 26.8 -12.1 42.0 162 306 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.923 107.4 52.1 -53.4 -48.4 26.2 -15.7 40.9 163 307 A Y H X S+ 0 0 26 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.889 109.5 47.9 -55.1 -44.4 27.8 -17.0 44.1 164 308 A A H X>S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.6 0.905 109.4 53.9 -68.0 -42.2 25.7 -14.7 46.3 165 309 A L H X5S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.931 114.1 41.2 -59.5 -45.7 22.5 -15.8 44.5 166 310 A R H X5S+ 0 0 69 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.935 117.2 45.6 -67.8 -48.0 23.3 -19.5 45.1 167 311 A K H <5S+ 0 0 45 -4,-2.8 4,-0.5 2,-0.2 -2,-0.2 0.915 125.4 31.4 -64.6 -43.8 24.6 -19.2 48.7 168 312 A L H ><5S+ 0 0 0 -4,-2.7 3,-0.8 -5,-0.2 6,-0.2 0.864 115.5 60.7 -82.7 -36.2 21.8 -17.0 49.9 169 313 A G H 3<> - 0 0 12 36,-0.2 4,-2.0 37,-0.1 3,-1.9 -0.945 36.2 -96.3-153.7 169.6 17.5 2.8 37.2 183 327 A H H 3> S+ 0 0 8 1,-0.3 4,-1.4 -2,-0.3 70,-0.2 0.830 117.9 62.8 -67.3 -31.7 15.9 4.1 34.0 184 328 A G H 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -3,-0.1 0.268 113.4 36.8 -73.1 10.6 18.3 7.0 33.7 185 329 A W H <4 S+ 0 0 49 -3,-1.9 -2,-0.2 133,-0.0 3,-0.2 0.612 133.2 14.7-121.7 -50.5 21.1 4.4 33.3 186 330 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 -6,-0.2 -3,-0.2 0.004 90.9 104.3-123.2 29.5 19.8 1.4 31.3 187 331 A G < + 0 0 0 -4,-1.4 65,-1.1 -5,-0.2 -1,-0.1 0.571 56.3 103.1 -87.3 -10.2 16.5 2.7 29.8 188 332 A W S >> S- 0 0 56 -3,-0.2 4,-2.5 63,-0.2 3,-1.5 -0.407 82.7-115.9 -77.5 151.0 17.9 3.2 26.2 189 333 A D T 34 S+ 0 0 125 61,-0.4 4,-0.4 1,-0.3 -1,-0.1 0.786 116.0 54.1 -46.6 -32.5 17.3 0.9 23.3 190 334 A S T 34 S+ 0 0 97 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.660 119.9 24.4 -84.7 -20.3 21.0 0.3 23.3 191 335 A N T <> S+ 0 0 19 -3,-1.5 4,-2.2 3,-0.1 -2,-0.2 0.595 102.6 76.4-121.5 -14.0 21.5 -0.9 26.9 192 336 A F H X S+ 0 0 24 -4,-2.5 4,-2.1 2,-0.2 3,-0.2 0.984 103.6 38.4 -61.8 -61.2 18.1 -2.2 28.1 193 337 A G H > S+ 0 0 31 -4,-0.4 4,-2.2 -5,-0.2 -1,-0.2 0.918 115.8 53.5 -54.2 -48.7 18.4 -5.6 26.3 194 338 A P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.861 108.0 50.6 -57.1 -37.8 22.1 -5.9 27.0 195 339 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 107.6 53.5 -64.2 -44.4 21.5 -5.4 30.7 196 340 A V H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 108.3 50.7 -55.5 -44.0 18.8 -8.1 30.6 197 341 A D H X S+ 0 0 80 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 110.8 47.9 -60.8 -44.5 21.3 -10.5 29.0 198 342 A I H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.838 107.5 54.9 -69.1 -35.4 23.9 -9.8 31.7 199 343 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.921 111.3 46.7 -59.0 -41.1 21.4 -10.3 34.6 200 344 A Y H X S+ 0 0 75 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.907 109.1 53.5 -69.8 -43.5 20.7 -13.7 33.1 201 345 A E H >< S+ 0 0 108 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.940 111.6 46.4 -52.6 -51.1 24.4 -14.5 32.7 202 346 A A H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 6,-0.2 0.890 107.9 55.5 -61.2 -45.7 24.9 -13.7 36.4 203 347 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 9,-0.2 0.698 113.2 42.3 -61.4 -24.0 21.9 -15.7 37.6 204 348 A N T << S+ 0 0 69 -4,-1.1 3,-0.5 -3,-0.8 -1,-0.3 0.402 98.2 100.1-102.7 2.4 23.3 -18.7 35.8 205 349 A A S X S+ 0 0 13 -3,-1.3 3,-2.4 -4,-0.4 -3,-0.0 -0.444 79.8 15.1 -85.3 158.5 27.0 -18.2 37.0 206 350 A S T 3 S- 0 0 31 1,-0.3 -1,-0.2 -2,-0.1 -40,-0.1 0.727 136.5 -51.5 55.6 26.4 28.8 -19.9 39.8 207 351 A G T 3 S+ 0 0 54 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.347 105.0 134.3 93.6 -6.0 26.2 -22.7 40.1 208 352 A S < - 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