==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-09 3L60 . COMPND 2 MOLECULE: BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR W.D.ZENCHECK,J.B.BONNANO,Y.PATSKOVSKY,R.TORO,J.FREEMAN, . 229 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 15.7 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 . 2 0.9 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 . 24 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 0 0 0 1 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 1 1 0 1 0 1 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 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 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 1 165 A P 0 0 167 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 2.9 42.2 17.7 2 166 A D - 0 0 119 1,-0.0 2,-0.6 2,-0.0 0, 0.0 -0.671 360.0-146.9 -67.6 111.6 5.0 44.1 15.2 3 167 A V - 0 0 115 -2,-0.7 -1,-0.0 1,-0.0 0, 0.0 -0.765 15.6-170.7 -94.9 116.6 5.6 41.3 12.5 4 168 A R - 0 0 187 -2,-0.6 2,-0.1 2,-0.0 -2,-0.0 -0.914 14.9-143.4-110.9 111.5 8.9 41.4 10.7 5 169 A P - 0 0 101 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 -0.481 23.3-127.5 -67.2 147.1 9.4 39.1 7.7 6 170 A V + 0 0 72 -2,-0.1 2,-0.3 4,-0.1 -2,-0.0 -0.868 40.5 150.9-104.4 125.5 12.9 37.8 7.6 7 171 A H >> + 0 0 143 -2,-0.5 3,-1.2 4,-0.0 4,-1.0 -0.893 42.2 0.4-137.4 173.4 15.1 38.1 4.4 8 172 A G H 3> S+ 0 0 57 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 -0.245 124.6 3.9 63.3-124.0 18.7 38.4 3.1 9 173 A V H 3> S+ 0 0 58 2,-0.2 4,-2.3 92,-0.2 -1,-0.3 0.839 135.8 51.2 -68.1 -37.4 21.5 38.4 5.6 10 174 A H H <> S+ 0 0 107 -3,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.938 110.6 48.8 -62.4 -47.5 19.1 37.8 8.5 11 175 A A H X S+ 0 0 24 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.936 113.4 45.6 -59.6 -53.6 17.5 34.8 6.7 12 176 A R H X S+ 0 0 48 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.906 113.0 50.4 -56.2 -47.8 20.9 33.2 5.9 13 177 A M H X S+ 0 0 96 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.979 111.2 49.3 -49.2 -60.3 22.1 33.8 9.6 14 178 A A H X S+ 0 0 42 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.862 114.2 46.8 -47.9 -41.2 18.8 32.2 10.8 15 179 A E H X S+ 0 0 135 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.897 113.8 45.5 -66.0 -47.8 19.5 29.3 8.4 16 180 A K H X S+ 0 0 70 -4,-2.9 4,-2.1 2,-0.2 148,-0.3 0.869 111.4 52.9 -66.7 -38.2 23.2 28.9 9.4 17 181 A M H X S+ 0 0 72 -4,-3.3 4,-2.4 -5,-0.2 5,-0.2 0.927 110.2 48.4 -61.8 -46.2 22.4 29.1 13.2 18 182 A T H X S+ 0 0 94 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.854 109.5 52.0 -62.4 -40.9 19.8 26.3 12.8 19 183 A L H X S+ 0 0 77 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.943 111.9 45.7 -61.8 -50.8 22.1 24.0 10.9 20 184 A S H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.958 111.9 51.1 -57.6 -52.9 24.9 24.3 13.5 21 185 A H H < S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.5 47.0 -50.9 -45.8 22.5 23.7 16.5 22 186 A K H < S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.943 122.0 30.2 -66.8 -48.8 21.0 20.6 15.0 23 187 A E H < S+ 0 0 110 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.860 100.4 75.4 -83.9 -38.3 24.3 18.8 14.0 24 188 A I < - 0 0 15 -4,-2.4 2,-0.9 -5,-0.2 138,-0.1 -0.671 57.3-152.2 -97.6 115.5 27.2 19.8 16.3 25 189 A P - 0 0 66 0, 0.0 175,-2.6 0, 0.0 176,-0.4 -0.756 35.5-161.0 -75.1 110.0 27.7 18.4 19.9 26 190 A T E +A 199 0A 61 -2,-0.9 2,-0.3 173,-0.2 173,-0.2 -0.610 24.1 179.5 -96.9 155.1 29.6 21.4 21.3 27 191 A A E -A 198 0A 26 171,-1.8 171,-2.6 -2,-0.2 2,-0.4 -0.916 18.4-140.2-135.4 167.4 31.8 21.9 24.3 28 192 A K E -A 197 0A 114 -2,-0.3 2,-0.4 169,-0.2 169,-0.2 -0.989 13.9-174.7-135.0 143.2 33.6 25.1 25.4 29 193 A A E -A 196 0A 30 167,-2.4 167,-3.3 -2,-0.4 2,-0.4 -0.999 10.6-169.2-135.0 130.8 37.0 26.0 26.9 30 194 A S E -A 195 0A 68 -2,-0.4 2,-0.4 165,-0.2 165,-0.2 -0.957 5.9-173.3-124.2 146.6 38.1 29.4 28.0 31 195 A V E -A 194 0A 23 163,-2.0 163,-2.8 -2,-0.4 2,-0.4 -0.997 23.4-129.0-135.0 140.4 41.4 31.0 29.1 32 196 A E E -A 193 0A 101 -2,-0.4 2,-0.4 161,-0.2 161,-0.2 -0.726 28.2-163.9 -86.0 135.9 42.2 34.4 30.5 33 197 A V E -A 192 0A 0 159,-2.7 159,-2.1 -2,-0.4 2,-0.5 -0.988 17.0-135.1-127.4 129.7 45.0 36.2 28.6 34 198 A I E -A 191 0A 46 -2,-0.4 157,-0.3 157,-0.2 3,-0.2 -0.717 17.6-170.3 -82.9 127.0 47.1 39.2 29.7 35 199 A C > + 0 0 0 155,-3.0 4,-2.4 -2,-0.5 5,-0.2 0.175 51.7 108.4-108.9 15.0 47.3 41.7 26.8 36 200 A A H > S+ 0 0 12 154,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.933 86.2 41.9 -60.0 -48.2 50.0 44.2 28.1 37 201 A E H > S+ 0 0 73 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.835 111.2 57.0 -70.4 -35.1 52.7 43.0 25.7 38 202 A L H > S+ 0 0 0 181,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 110.8 42.9 -58.8 -47.9 50.2 42.8 22.8 39 203 A L H X S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.863 111.9 55.2 -71.1 -33.0 49.2 46.5 23.3 40 204 A R H X S+ 0 0 141 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.916 109.2 47.4 -62.1 -45.1 52.9 47.5 23.7 41 205 A L H X S+ 0 0 5 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.920 110.7 51.4 -61.7 -46.8 53.7 45.8 20.4 42 206 A R H >X S+ 0 0 67 -4,-2.1 4,-1.8 1,-0.2 3,-1.1 0.930 106.6 54.3 -52.4 -50.1 50.8 47.6 18.8 43 207 A D H 3< S+ 0 0 99 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.870 102.6 59.3 -54.8 -36.5 52.0 51.0 20.1 44 208 A R H 3< S+ 0 0 147 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.824 121.1 21.7 -60.7 -32.2 55.4 50.3 18.5 45 209 A F H < - 0 0 2 -4,-1.8 3,-2.1 3,-0.1 -1,-0.3 -0.703 63.3-174.7-145.4 87.4 51.0 51.1 9.9 50 214 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.630 80.6 71.2 -62.2 -13.0 47.6 51.9 11.4 51 215 A E T 3 + 0 0 55 2,-0.1 2,-1.3 1,-0.0 5,-0.1 0.541 69.9 96.7 -79.8 -10.8 46.3 48.5 10.4 52 216 A I < + 0 0 0 -3,-2.1 -3,-0.1 -7,-0.2 -7,-0.1 -0.742 59.1 159.1 -80.2 94.8 48.4 46.7 13.0 53 217 A T > - 0 0 49 -2,-1.3 4,-2.7 1,-0.1 5,-0.3 -0.758 58.4-107.2-112.9 165.0 45.7 46.5 15.6 54 218 A P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.939 123.8 51.8 -59.0 -40.1 45.3 44.2 18.6 55 219 A F H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 110.4 47.2 -58.5 -49.4 42.6 42.3 16.7 56 220 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 113.5 48.2 -59.8 -41.0 45.0 41.9 13.6 57 221 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.904 110.0 52.7 -67.2 -38.2 47.8 40.7 15.8 58 222 A T H X S+ 0 0 3 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.929 109.2 49.1 -63.0 -44.3 45.5 38.3 17.6 59 223 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 109.8 52.1 -64.5 -39.2 44.4 36.8 14.3 60 224 A R H X S+ 0 0 27 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.955 112.0 44.9 -59.8 -47.7 48.0 36.5 13.2 61 225 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.860 110.1 56.1 -67.2 -33.6 48.9 34.6 16.4 62 226 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.901 104.7 52.7 -59.1 -43.2 45.7 32.5 16.0 63 227 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.930 109.1 49.6 -60.3 -43.5 46.9 31.4 12.5 64 228 A I H X S+ 0 0 20 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.940 111.3 48.8 -57.8 -49.5 50.3 30.4 14.0 65 229 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.903 110.2 51.5 -61.4 -39.3 48.4 28.4 16.7 66 230 A L H >< S+ 0 0 2 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.874 104.9 55.9 -67.2 -34.4 46.2 26.7 14.1 67 231 A K H 3< S+ 0 0 94 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.886 113.9 42.1 -63.6 -31.5 49.3 25.7 12.0 68 232 A H H 3< S+ 0 0 110 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.503 119.6 42.6 -89.6 -8.8 50.5 23.9 15.2 69 233 A N X< + 0 0 9 -4,-0.7 3,-2.1 -3,-0.6 4,-0.2 -0.573 69.3 171.7-136.5 68.9 47.1 22.4 16.2 70 234 A V G > + 0 0 83 -3,-0.3 3,-1.9 1,-0.3 18,-0.3 0.723 67.4 69.5 -62.1 -27.5 45.8 21.2 12.9 71 235 A I G 3 S+ 0 0 30 1,-0.3 -1,-0.3 16,-0.1 3,-0.2 0.715 89.3 65.9 -63.1 -23.4 42.8 19.3 14.2 72 236 A L G < S+ 0 0 0 -3,-2.1 2,-0.6 1,-0.2 95,-0.3 0.629 97.2 57.6 -69.4 -17.4 41.2 22.7 15.2 73 237 A N S < S+ 0 0 3 -3,-1.9 15,-1.8 -4,-0.2 2,-0.2 -0.779 93.5 92.4-118.7 79.5 40.9 23.6 11.4 74 238 A S E -G 87 0B 0 -2,-0.6 93,-0.7 70,-0.4 2,-0.4 -0.895 61.1-121.1-161.4 177.9 38.8 20.7 10.2 75 239 A T E -G 86 0B 18 11,-1.8 11,-2.9 -2,-0.2 2,-0.4 -1.000 19.8-125.7-143.5 137.4 35.4 19.2 9.4 76 240 A W E -G 85 0B 67 89,-0.4 2,-0.4 -2,-0.4 9,-0.2 -0.705 32.9-171.2 -80.1 131.5 33.4 16.2 10.6 77 241 A V E +G 84 0B 30 7,-3.0 7,-2.9 -2,-0.4 -2,-0.0 -0.993 27.3 160.7-131.4 129.1 32.3 14.1 7.6 78 242 A D > + 0 0 95 -2,-0.4 4,-0.6 5,-0.2 -1,-0.1 0.569 42.0 117.2-115.3 -24.3 29.9 11.1 7.5 79 243 A S T 4 S- 0 0 85 2,-0.1 2,-0.8 1,-0.1 -2,-0.0 -0.268 83.7 -16.9 -43.8 116.3 29.0 11.0 3.8 80 244 A G T 4 S+ 0 0 81 1,-0.1 2,-0.4 3,-0.0 -1,-0.1 -0.748 124.5 33.9 101.1-104.3 30.2 7.7 2.3 81 245 A E T 4 S- 0 0 86 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.1 -0.152 110.0 -79.6 -99.9 39.4 32.8 5.4 4.0 82 246 A G S < S- 0 0 27 -4,-0.6 2,-0.3 -2,-0.4 -1,-0.2 -0.474 83.4 -18.4 95.3-173.5 32.0 5.8 7.7 83 247 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.578 67.3 170.1 -74.5 128.8 33.1 8.6 10.1 84 248 A Q E -G 77 0B 74 -7,-2.9 -7,-3.0 -2,-0.3 2,-0.5 -0.968 29.7-143.5-134.7 147.8 36.0 10.8 9.0 85 249 A V E -G 76 0B 54 -2,-0.3 2,-0.7 -9,-0.2 -9,-0.2 -0.976 17.7-152.4-106.8 122.1 37.7 14.0 10.1 86 250 A H E -G 75 0B 83 -11,-2.9 -11,-1.8 -2,-0.5 2,-0.6 -0.876 7.6-157.0 -94.4 111.8 38.9 16.1 7.1 87 251 A V E -G 74 0B 65 -2,-0.7 2,-0.3 -13,-0.2 -13,-0.2 -0.801 15.1-136.3 -92.6 119.5 41.9 18.2 8.3 88 252 A H - 0 0 64 -15,-1.8 -15,-0.1 -2,-0.6 56,-0.0 -0.607 10.6-157.0 -85.2 137.3 42.3 21.3 6.0 89 253 A R S S+ 0 0 243 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.850 78.7 63.4 -81.1 -34.9 45.7 22.4 4.7 90 254 A G S S- 0 0 10 21,-0.0 2,-0.8 22,-0.0 -2,-0.1 -0.694 74.6-142.9 -88.9 141.6 44.7 26.0 4.1 91 255 A V - 0 0 7 -2,-0.3 20,-2.1 2,-0.1 2,-0.7 -0.914 20.3-179.2-100.6 104.0 43.6 28.3 7.0 92 256 A H - 0 0 40 -2,-0.8 52,-2.6 18,-0.2 53,-1.2 -0.917 20.1-150.4-106.9 102.5 40.8 30.4 5.5 93 257 A L E -Bc 108 145A 0 15,-2.0 15,-2.8 -2,-0.7 2,-0.3 -0.687 11.5-163.9 -94.4 110.5 40.0 32.6 8.4 94 258 A G E +Bc 107 146A 0 51,-2.8 53,-2.0 -2,-0.7 2,-0.3 -0.631 11.1 179.9 -80.4 144.2 36.5 33.9 8.8 95 259 A F E - c 0 147A 1 11,-2.2 53,-0.2 -2,-0.3 2,-0.1 -0.989 29.3-108.8-145.8 144.3 35.8 36.8 11.1 96 260 A G - 0 0 20 51,-2.0 2,-0.3 -2,-0.3 9,-0.2 -0.411 26.8-176.3 -66.3 134.9 32.6 38.7 12.1 97 261 A A E -H 104 0C 12 7,-3.0 7,-2.3 -2,-0.1 2,-0.3 -0.884 16.7-149.3-130.9 101.9 32.2 42.3 10.9 98 262 A A E +H 103 0C 68 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.565 28.0 169.7 -71.0 130.9 29.0 43.9 12.3 99 263 A T E > -H 102 0C 33 3,-2.4 3,-2.4 -2,-0.3 32,-0.1 -0.870 51.8 -90.3-136.8 169.0 27.6 46.4 9.9 100 264 A E T 3 S+ 0 0 202 1,-0.3 3,-0.1 -2,-0.3 31,-0.1 0.846 127.8 49.6 -45.7 -40.1 24.4 48.6 9.3 101 265 A R T 3 S- 0 0 81 1,-0.3 -1,-0.3 30,-0.1 2,-0.2 0.218 127.9 -88.3 -90.3 15.4 23.0 45.7 7.3 102 266 A G E < -H 99 0C 34 -3,-2.4 -3,-2.4 -93,-0.1 2,-0.4 -0.659 68.4 -34.3 107.7-169.3 23.7 43.1 10.0 103 267 A L E -H 98 0C 81 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.719 53.4-169.2 -92.9 137.4 26.8 41.0 10.6 104 268 A L E -H 97 0C 38 -7,-2.3 -7,-3.0 -2,-0.4 26,-0.0 -0.897 16.4-141.4-115.6 160.2 28.9 39.7 7.7 105 269 A V - 0 0 38 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.683 19.4-167.3-124.8 78.4 31.7 37.1 7.9 106 270 A P - 0 0 0 0, 0.0 -11,-2.2 0, 0.0 2,-0.4 -0.208 13.6-138.6 -55.1 153.8 34.6 38.1 5.6 107 271 A V E -B 94 0A 2 32,-2.3 2,-1.0 -13,-0.2 -13,-0.3 -0.982 9.6-147.3-127.2 127.1 37.2 35.5 5.0 108 272 A V E > -B 93 0A 0 -15,-2.8 -15,-2.0 -2,-0.4 3,-1.0 -0.800 29.0-147.6 -85.8 96.5 41.0 35.7 4.8 109 273 A T T 3 S+ 0 0 67 -2,-1.0 -17,-0.2 1,-0.3 34,-0.1 -0.433 76.3 3.3 -68.4 140.8 41.8 33.0 2.1 110 274 A D T > S+ 0 0 65 1,-0.1 3,-1.7 -2,-0.1 -1,-0.3 0.848 74.9 166.3 47.4 46.3 45.1 31.3 2.6 111 275 A A G X + 0 0 0 -20,-2.1 3,-1.5 -3,-1.0 -19,-0.1 0.759 67.0 70.4 -56.6 -27.2 45.8 33.2 5.9 112 276 A Q G 3 S+ 0 0 28 -21,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.736 95.1 53.2 -65.1 -22.6 48.6 30.7 6.6 113 277 A D G < S+ 0 0 114 -3,-1.7 2,-0.3 -22,-0.2 -1,-0.3 0.446 92.5 95.7 -91.7 -0.1 50.7 32.1 3.7 114 278 A K < - 0 0 53 -3,-1.5 2,-0.1 -4,-0.2 -4,-0.0 -0.738 65.2-139.2-101.7 139.1 50.5 35.7 5.0 115 279 A N > - 0 0 61 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.329 41.7 -90.8 -82.3 172.6 53.1 37.5 7.2 116 280 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 127.4 44.0 -53.5 -50.3 51.9 39.8 10.0 117 281 A R H > S+ 0 0 89 111,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 113.5 50.9 -61.4 -44.6 51.8 42.9 7.8 118 282 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 113.3 45.5 -57.6 -47.6 50.1 41.1 4.9 119 283 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.947 111.8 51.4 -63.4 -49.0 47.4 39.7 7.2 120 284 A A H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.918 111.4 47.4 -55.3 -43.9 46.9 43.1 9.0 121 285 A S H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.938 113.3 48.0 -66.0 -42.6 46.4 44.9 5.6 122 286 A R H X S+ 0 0 56 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.905 110.0 51.3 -65.1 -43.1 44.0 42.3 4.3 123 287 A V H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.937 110.1 50.9 -58.5 -45.1 41.9 42.3 7.5 124 288 A A H X S+ 0 0 34 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.942 110.0 49.0 -58.5 -46.0 41.7 46.1 7.2 125 289 A E H X S+ 0 0 107 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.883 112.7 48.8 -59.4 -39.5 40.5 45.9 3.6 126 290 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.876 109.8 49.9 -73.7 -37.6 37.9 43.3 4.6 127 291 A I H X S+ 0 0 62 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.953 114.7 45.7 -61.8 -46.4 36.7 45.4 7.5 128 292 A T H X S+ 0 0 50 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.931 112.4 51.4 -58.4 -47.6 36.4 48.4 5.1 129 293 A G H X>S+ 0 0 3 -4,-2.7 5,-2.1 1,-0.2 4,-0.8 0.882 109.1 49.0 -60.3 -43.8 34.7 46.3 2.5 130 294 A A H <5S+ 0 0 3 -4,-2.3 -1,-0.2 3,-0.2 3,-0.2 0.898 113.7 47.3 -61.5 -41.6 32.1 44.9 4.9 131 295 A R H <5S+ 0 0 157 -4,-1.9 -2,-0.2 1,-0.2 -31,-0.2 0.913 118.2 39.5 -68.2 -45.5 31.3 48.4 6.1 132 296 A E H <5S- 0 0 126 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.456 110.0-121.6 -84.4 -1.1 31.0 49.9 2.6 133 297 A G T <5S+ 0 0 62 -4,-0.8 -3,-0.2 -3,-0.2 -4,-0.1 0.811 74.9 123.9 65.8 35.2 29.2 46.8 1.2 134 298 A T < + 0 0 90 -5,-2.1 2,-0.2 -6,-0.2 -4,-0.2 0.093 29.8 129.1-111.2 18.2 31.8 46.1 -1.5 135 299 A L - 0 0 29 -6,-0.5 -9,-0.0 -7,-0.1 5,-0.0 -0.541 52.8-129.3 -78.7 143.2 32.8 42.5 -0.6 136 300 A T > - 0 0 67 -2,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.489 25.4-108.0 -81.1 159.4 32.8 39.8 -3.4 137 301 A P G > S+ 0 0 98 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.858 121.8 57.2 -50.7 -38.0 31.0 36.5 -3.1 138 302 A A G > S+ 0 0 44 1,-0.2 3,-0.7 2,-0.2 -29,-0.0 0.724 101.5 55.1 -65.7 -28.0 34.5 34.9 -2.8 139 303 A E G < S+ 0 0 35 -3,-1.2 -32,-2.3 1,-0.2 -1,-0.2 0.480 107.5 51.4 -84.5 -4.6 35.4 37.1 0.2 140 304 A L G < S+ 0 0 66 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 0.126 108.4 53.3-115.1 16.3 32.3 35.8 2.1 141 305 A R S < S+ 0 0 153 -3,-0.7 -34,-0.1 -34,-0.1 0, 0.0 -0.917 73.3 50.7-144.9 171.3 32.8 32.1 1.7 142 306 A G + 0 0 55 -2,-0.3 -50,-0.1 1,-0.2 -1,-0.1 0.583 59.4 162.2 81.8 14.3 35.2 29.2 2.2 143 307 A S - 0 0 23 1,-0.1 -1,-0.2 -3,-0.1 -50,-0.2 -0.323 25.6-173.4 -68.8 149.5 36.2 29.6 5.8 144 308 A T S S+ 0 0 9 -52,-2.6 23,-0.5 1,-0.4 -70,-0.4 0.500 78.6 19.0-110.8 -17.3 37.8 26.7 7.7 145 309 A F E S-c 93 0A 0 -53,-1.2 -51,-2.8 -72,-0.1 -1,-0.4 -0.977 72.8-152.5-151.3 148.1 37.8 28.5 11.1 146 310 A T E -cd 94 169A 6 22,-0.8 24,-2.4 -2,-0.3 2,-0.4 -0.924 3.4-155.3-131.2 146.7 35.9 31.5 12.4 147 311 A V E -cd 95 170A 1 -53,-2.0 -51,-2.0 -2,-0.3 2,-0.6 -0.974 2.8-159.9-118.7 137.8 36.5 34.3 15.0 148 312 A S E - d 0 171A 29 22,-2.9 24,-2.5 -2,-0.4 2,-1.3 -0.955 2.9-164.3-115.4 109.4 33.8 36.3 16.7 149 313 A N > + 0 0 41 -2,-0.6 3,-0.9 1,-0.2 4,-0.4 -0.509 30.1 150.6 -93.4 69.0 35.1 39.5 18.2 150 314 A F G > > + 0 0 22 -2,-1.3 5,-1.7 1,-0.2 3,-1.3 0.752 63.4 76.1 -70.9 -19.3 32.2 40.3 20.5 151 315 A G G > 5S+ 0 0 11 21,-2.4 3,-1.8 -3,-0.3 -1,-0.2 0.862 85.2 60.2 -57.4 -35.2 34.8 42.1 22.7 152 316 A A G < 5S+ 0 0 78 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.775 103.5 53.4 -64.7 -21.6 34.9 45.0 20.3 153 317 A L G < 5S- 0 0 131 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.369 127.4 -99.1 -93.6 3.7 31.1 45.4 21.1 154 318 A G T < 5S+ 0 0 52 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.472 75.2 141.8 93.5 3.8 31.8 45.5 24.9 155 319 A V < - 0 0 63 -5,-1.7 19,-2.0 1,-0.1 -1,-0.3 -0.681 39.2-156.9 -80.8 127.0 31.0 41.9 25.8 156 320 A D S S- 0 0 66 -2,-0.5 37,-0.6 1,-0.2 2,-0.3 0.874 74.1 -8.2 -70.9 -41.5 33.4 40.5 28.4 157 321 A D S S+ 0 0 100 16,-0.2 2,-0.3 35,-0.1 -1,-0.2 -0.984 70.8 172.3-156.8 154.2 32.9 36.9 27.5 158 322 A G - 0 0 14 -2,-0.3 13,-0.2 35,-0.1 15,-0.1 -0.979 32.2-127.3-160.5 166.4 30.6 34.9 25.2 159 323 A V - 0 0 91 -2,-0.3 37,-0.1 11,-0.1 2,-0.1 -0.928 33.0-168.1-126.9 95.7 29.7 31.7 23.6 160 324 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 9,-0.1 -0.274 24.4-104.2 -81.4 173.4 29.4 32.0 19.8 161 325 A V - 0 0 65 7,-0.1 7,-0.1 -2,-0.1 -141,-0.0 -0.854 35.6-108.1-105.1 131.3 27.9 29.4 17.4 162 326 A I - 0 0 1 -2,-0.4 2,-1.2 1,-0.1 -142,-0.1 -0.340 28.0-123.1 -57.8 133.8 30.2 27.2 15.3 163 327 A N > - 0 0 23 5,-0.2 3,-2.2 -143,-0.1 5,-0.1 -0.697 52.0 -98.1 -80.3 91.4 30.1 28.2 11.6 164 328 A H T 3 S+ 0 0 43 -2,-1.2 3,-0.1 -148,-0.3 -144,-0.1 -0.180 104.1 23.5 -54.2 143.1 29.0 24.9 10.1 165 329 A P T 3 S+ 0 0 66 0, 0.0 -89,-0.4 0, 0.0 -1,-0.3 -0.744 101.9 103.9 -91.0 30.9 30.8 22.6 8.8 166 330 A E < - 0 0 6 -3,-2.2 -91,-0.2 -91,-0.1 -90,-0.1 -0.270 67.3-136.7 -69.4 161.4 33.8 24.0 10.8 167 331 A A S S+ 0 0 0 -93,-0.7 32,-3.0 -23,-0.5 2,-0.3 0.552 77.5 8.6 -95.8 -14.2 35.0 22.1 13.9 168 332 A A E - E 0 198A 0 -24,-0.3 -22,-0.8 30,-0.2 2,-0.3 -0.991 52.9-155.0-161.4 159.0 35.5 25.2 16.1 169 333 A I E -dE 146 197A 8 28,-2.4 28,-2.3 -2,-0.3 2,-0.5 -0.982 16.5-140.4-135.8 147.7 35.0 28.9 16.6 170 334 A L E -dE 147 196A 0 -24,-2.4 -22,-2.9 -2,-0.3 2,-0.4 -0.952 9.1-158.1-112.3 125.2 37.0 31.4 18.8 171 335 A G E -dE 148 195A 0 24,-3.5 24,-2.3 -2,-0.5 2,-0.6 -0.854 6.4-152.4 -96.4 130.9 35.3 34.2 20.8 172 336 A L E - E 0 194A 4 -24,-2.5 -21,-2.4 -2,-0.4 -20,-0.2 -0.938 13.4-149.7-104.2 108.6 37.4 37.2 21.8 173 337 A G - 0 0 2 20,-2.5 -17,-0.2 -2,-0.6 -16,-0.2 -0.203 37.8 -70.4 -68.0 165.6 36.2 38.9 24.9 174 338 A A - 0 0 8 -19,-2.0 2,-0.6 -23,-0.1 19,-0.2 -0.355 43.1-133.0 -60.2 130.4 36.6 42.6 25.6 175 339 A I + 0 0 63 17,-0.1 17,-0.2 -2,-0.1 -1,-0.1 -0.777 50.6 130.0 -80.7 118.0 40.2 43.8 26.3 176 340 A K E -F 191 0A 96 15,-1.7 15,-2.6 -2,-0.6 2,-0.3 -0.966 63.6 -71.4-156.1 167.4 40.2 46.1 29.3 177 341 A P E +F 190 0A 98 0, 0.0 11,-0.1 0, 0.0 -2,-0.0 -0.467 57.4 161.2 -62.5 125.8 42.0 46.5 32.6 178 342 A R E -F 189 0A 37 11,-2.9 11,-2.0 -2,-0.3 2,-0.2 -0.961 43.3 -92.6-138.2 159.1 41.2 43.8 35.1 179 343 A P E +F 188 0A 98 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.515 48.8 164.1 -72.3 134.7 43.0 42.6 38.3 180 344 A V E -F 187 0A 13 7,-2.6 7,-3.1 -2,-0.2 2,-0.5 -0.931 38.1-111.4-139.8 164.1 45.4 39.7 37.9 181 345 A V E +F 186 0A 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.896 33.7 175.8 -97.7 125.5 48.2 38.2 40.0 182 346 A V E > S-F 185 0A 59 3,-2.6 3,-2.2 -2,-0.5 -2,-0.0 -0.998 74.2 -13.7-130.2 122.6 51.7 38.7 38.7 183 347 A G T 3 S- 0 0 79 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.882 129.2 -55.3 50.6 42.4 54.7 37.5 40.9 184 348 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.414 116.5 109.9 76.9 0.8 52.3 37.1 43.8 185 349 A E E < S- F 0 182A 131 -3,-2.2 -3,-2.6 0, 0.0 2,-0.6 -0.893 71.2-122.2-107.5 139.3 51.1 40.7 43.7 186 350 A V E + F 0 181A 112 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.686 46.7 166.1 -77.7 120.2 47.6 41.9 42.6 187 351 A V E - F 0 180A 39 -7,-3.1 -7,-2.6 -2,-0.6 2,-0.4 -0.868 38.8-107.1-131.7 159.7 48.1 44.3 39.7 188 352 A A E + F 0 179A 72 -2,-0.3 -7,-0.0 -9,-0.2 -2,-0.0 -0.774 43.9 162.9 -85.7 135.8 46.0 45.9 37.0 189 353 A R E - F 0 178A 79 -11,-2.0 -11,-2.9 -2,-0.4 2,-0.3 -0.989 45.3-106.3-144.6 147.8 46.5 44.6 33.4 190 354 A P E + F 0 177A 32 0, 0.0 -155,-3.0 0, 0.0 -154,-0.4 -0.601 56.1 169.4 -66.0 130.9 44.7 44.8 30.1 191 355 A T E -AF 34 176A 0 -15,-2.6 -15,-1.7 -2,-0.3 2,-0.3 -0.910 24.0-164.7-138.9 167.5 43.2 41.3 29.7 192 356 A M E -A 33 0A 3 -159,-2.1 -159,-2.7 -2,-0.3 2,-0.5 -0.979 19.8-128.5-152.0 149.1 40.7 39.3 27.7 193 357 A T E -A 32 0A 33 -37,-0.6 -20,-2.5 -2,-0.3 2,-0.4 -0.896 20.5-157.5 -95.6 125.9 38.9 36.0 27.9 194 358 A L E -AE 31 172A 0 -163,-2.8 -163,-2.0 -2,-0.5 2,-0.4 -0.858 8.8-168.5 -98.9 134.6 39.2 33.7 24.9 195 359 A T E -AE 30 171A 2 -24,-2.3 -24,-3.5 -2,-0.4 2,-0.5 -0.992 5.0-163.5-128.3 123.5 36.5 31.1 24.5 196 360 A C E -AE 29 170A 0 -167,-3.3 -167,-2.4 -2,-0.4 2,-0.5 -0.945 1.3-164.2-106.4 125.4 36.7 28.3 22.0 197 361 A V E -AE 28 169A 2 -28,-2.3 -28,-2.4 -2,-0.5 2,-0.3 -0.937 22.4-178.0-104.1 126.4 33.5 26.4 21.2 198 362 A F E -AE 27 168A 7 -171,-2.6 -171,-1.8 -2,-0.5 2,-0.7 -0.957 38.1-109.1-135.4 150.5 34.3 23.1 19.5 199 363 A D E >> -A 26 0A 3 -32,-3.0 4,-2.7 -2,-0.3 3,-1.2 -0.636 29.3-156.6 -69.2 108.7 32.8 20.0 17.9 200 364 A H T 34 S+ 0 0 93 -175,-2.6 -1,-0.2 -2,-0.7 -174,-0.1 0.531 88.7 65.4 -78.9 -2.3 33.5 17.4 20.5 201 365 A R T 34 S+ 0 0 83 -176,-0.4 -1,-0.3 -34,-0.1 3,-0.1 0.822 115.9 29.4 -73.4 -33.8 33.3 14.6 17.9 202 366 A V T <4 S+ 0 0 12 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.917 123.4 40.3 -92.7 -50.8 36.3 16.1 16.2 203 367 A V < - 0 0 1 -4,-2.7 -1,-0.2 -36,-0.2 2,-0.2 -0.821 68.2-151.9-112.2 136.0 38.4 17.8 18.9 204 368 A D > - 0 0 71 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.495 33.0-101.7-100.1 173.7 39.0 16.4 22.4 205 369 A G H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 120.4 52.6 -66.3 -37.1 39.7 18.3 25.6 206 370 A A H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.1 48.6 -64.3 -41.3 43.4 17.7 25.6 207 371 A Q H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 112.7 45.9 -65.3 -47.1 43.6 19.1 22.0 208 372 A V H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.915 112.9 51.4 -60.9 -39.8 41.6 22.2 22.7 209 373 A A H X S+ 0 0 48 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.917 109.4 49.6 -64.5 -42.3 43.6 22.9 25.9 210 374 A Q H X S+ 0 0 118 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.933 113.5 46.9 -61.9 -43.3 46.9 22.6 24.0 211 375 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.948 115.4 44.4 -61.8 -47.4 45.6 25.0 21.3 212 376 A M H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.906 111.8 51.1 -72.5 -41.3 44.3 27.5 23.8 213 377 A C H X S+ 0 0 44 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.890 112.1 48.6 -58.9 -39.8 47.4 27.4 26.0 214 378 A E H X S+ 0 0 45 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.951 111.4 49.2 -64.9 -48.2 49.6 28.0 23.0 215 379 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.928 111.9 49.2 -56.4 -46.7 47.4 30.9 21.8 216 380 A R H X S+ 0 0 69 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.928 111.6 48.7 -56.2 -46.0 47.5 32.4 25.3 217 381 A D H X S+ 0 0 86 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.883 110.8 50.7 -68.3 -37.0 51.4 32.1 25.4 218 382 A L H < S+ 0 0 24 -4,-2.8 3,-0.2 2,-0.2 -1,-0.2 0.936 112.8 45.9 -61.0 -47.6 51.8 33.6 22.0 219 383 A I H < S+ 0 0 0 -4,-2.3 -181,-0.2 1,-0.2 -2,-0.2 0.884 111.7 50.9 -65.5 -40.0 49.6 36.6 22.9 220 384 A E H < S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 127.4 24.4 -72.4 -23.2 51.4 37.1 26.2 221 385 A S S X S+ 0 0 86 -4,-1.4 4,-0.6 -3,-0.2 -1,-0.3 -0.585 76.9 148.2-132.8 72.8 54.9 37.0 24.5 222 386 A P H > + 0 0 0 0, 0.0 4,-2.0 0, 0.0 -3,-0.1 0.694 50.3 81.2 -84.7 -19.3 54.1 38.1 20.9 223 387 A E H 4 S+ 0 0 95 1,-0.2 3,-0.3 2,-0.2 6,-0.2 0.937 96.4 42.8 -55.3 -51.7 57.4 40.0 20.1 224 388 A T H >4 S+ 0 0 88 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.903 115.7 48.2 -61.1 -43.5 59.4 36.8 19.2 225 389 A A H 3< S+ 0 0 33 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 113.6 48.6 -69.5 -25.3 56.5 35.1 17.2 226 390 A L T >< + 0 0 3 -4,-2.0 3,-1.7 -3,-0.3 -1,-0.3 -0.133 69.4 130.1-108.7 38.2 56.0 38.3 15.3 227 391 A L T < + 0 0 84 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.248 58.3 78.6 -73.9 7.6 59.7 38.7 14.5 228 392 A D T 3 0 0 60 -3,-0.2 -1,-0.3 1,-0.2 -111,-0.2 0.263 360.0 360.0 -91.1 2.6 58.6 39.2 10.8 229 393 A L < 0 0 47 -3,-1.7 -2,-0.2 -6,-0.2 -1,-0.2 0.559 360.0 360.0 -86.6 360.0 57.6 42.7 11.9