==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-APR-12 4EP6 . COMPND 2 MOLECULE: CYTOCHROME P450-LIKE PROTEIN XPLA; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RHODOCHROUS; . AUTHOR S.H.BUI,K.J.MCLEAN,M.R.CHEESMAN,J.M.BRADLEY,S.E.J.RIGBY,D.LE . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 1 0 3 0 1 3 2 2 0 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 1 161 A A > 0 0 108 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -80.0 -21.5 19.9 -15.2 2 162 A A H > + 0 0 29 1,-0.2 4,-0.7 2,-0.2 34,-0.0 0.223 360.0 72.2 -86.8 9.5 -18.9 17.8 -13.3 3 163 A S H > S+ 0 0 81 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.577 89.2 56.3 -96.2 -18.1 -17.4 17.3 -16.7 4 164 A I H > S+ 0 0 74 -3,-0.4 4,-1.8 2,-0.2 5,-0.2 0.877 105.7 52.4 -75.7 -39.9 -16.1 20.9 -16.8 5 165 A D H X S+ 0 0 24 -4,-0.7 4,-2.9 1,-0.2 -2,-0.2 0.924 109.3 49.3 -53.1 -46.3 -14.3 20.1 -13.5 6 166 A R H < S+ 0 0 153 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 108.7 52.1 -70.4 -29.8 -12.7 17.1 -15.2 7 167 A E H < S+ 0 0 104 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.902 119.6 36.6 -64.0 -39.6 -11.6 19.2 -18.3 8 168 A L H < S+ 0 0 1 -4,-1.8 19,-0.2 1,-0.2 -2,-0.2 0.868 136.9 6.1 -88.8 -45.9 -9.9 21.7 -15.9 9 169 A V < - 0 0 1 -4,-2.9 2,-1.6 -5,-0.2 -1,-0.2 -0.613 61.8-172.8-141.5 82.5 -8.5 19.6 -13.1 10 170 A P > - 0 0 16 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.548 10.1-169.8 -74.8 90.1 -8.7 15.9 -13.6 11 171 A W T 3 S+ 0 0 16 -2,-1.6 368,-0.2 1,-0.3 157,-0.1 0.786 79.4 40.6 -59.1 -35.1 -7.5 15.0 -10.1 12 172 A S T 3 S+ 0 0 58 -3,-0.1 -1,-0.3 366,-0.1 5,-0.1 0.483 81.5 119.1 -91.0 -5.5 -7.1 11.2 -10.8 13 173 A D <> - 0 0 64 -3,-1.5 4,-2.1 1,-0.2 3,-0.5 -0.439 61.9-140.2 -65.1 128.1 -5.6 11.4 -14.4 14 174 A P H > S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.880 101.8 50.5 -57.8 -37.2 -2.2 9.8 -14.3 15 175 A E H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -2,-0.1 0.834 109.7 51.0 -69.9 -31.5 -0.7 12.4 -16.7 16 176 A F H 4 S+ 0 0 3 -3,-0.5 -1,-0.2 2,-0.2 7,-0.1 0.800 109.6 51.1 -73.0 -33.4 -2.1 15.2 -14.5 17 177 A R H < S+ 0 0 63 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.884 112.2 46.8 -69.1 -36.2 -0.5 13.5 -11.4 18 178 A N H < S- 0 0 80 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.944 137.8 -1.2 -71.4 -48.7 2.8 13.3 -13.2 19 179 A N < + 0 0 65 -4,-2.6 4,-0.2 -5,-0.1 -1,-0.2 -0.651 61.1 166.9-150.6 93.8 2.7 16.9 -14.4 20 180 A P >> + 0 0 1 0, 0.0 4,-2.3 0, 0.0 3,-1.6 0.617 55.3 97.9 -75.3 -17.1 -0.2 19.2 -13.6 21 181 A Y H 3> S+ 0 0 6 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.783 79.6 53.7 -57.2 -32.0 1.4 22.4 -14.6 22 182 A P H 3> S+ 0 0 68 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.841 111.1 47.2 -69.4 -29.4 -0.1 22.6 -18.1 23 183 A W H X> S+ 0 0 57 -3,-1.6 4,-2.5 -4,-0.2 3,-0.6 0.940 110.5 52.8 -69.3 -47.6 -3.6 22.2 -16.5 24 184 A Y H 3X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.854 99.2 64.2 -52.3 -37.8 -2.7 24.9 -14.0 25 185 A R H 3X S+ 0 0 103 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.934 111.5 36.2 -56.5 -42.4 -1.7 27.2 -16.9 26 186 A R H S+ 0 0 90 -4,-1.0 4,-2.4 -3,-0.6 5,-0.7 0.868 112.1 57.9 -78.9 -38.0 -5.3 27.2 -18.1 27 187 A L H X5S+ 0 0 0 -4,-2.5 4,-2.0 -19,-0.2 -2,-0.2 0.952 110.7 44.9 -56.2 -42.7 -6.9 27.1 -14.6 28 188 A Q H <5S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 118.5 39.5 -77.3 -34.8 -5.1 30.4 -13.7 29 189 A Q H <5S+ 0 0 157 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.881 129.4 26.0 -79.7 -43.1 -5.7 32.3 -16.8 30 190 A D H <5S+ 0 0 88 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.757 137.3 18.0 -97.8 -28.9 -9.3 31.3 -17.6 31 191 A H << + 0 0 72 -4,-2.0 -1,-0.1 -5,-0.7 -2,-0.1 -0.336 63.8 161.2-142.3 56.6 -10.9 30.3 -14.2 32 192 A P S S+ 0 0 35 0, 0.0 12,-1.9 0, 0.0 13,-0.7 0.575 82.5 33.8 -64.7 -16.0 -8.7 31.9 -11.4 33 193 A V E S+A 43 0A 17 10,-0.2 2,-0.5 259,-0.1 10,-0.2 -0.879 86.7 177.3-133.4 100.6 -11.4 31.5 -8.8 34 194 A H E -A 42 0A 21 8,-2.1 8,-2.7 -2,-0.3 2,-0.5 -0.936 23.8-144.4-116.0 125.2 -13.3 28.4 -9.8 35 195 A K E -A 41 0A 103 -2,-0.5 2,-0.2 6,-0.2 6,-0.2 -0.756 20.3-147.4 -88.6 123.7 -16.3 26.8 -7.9 36 196 A L > - 0 0 10 4,-2.6 3,-3.1 -2,-0.5 -34,-0.1 -0.589 27.0-106.7 -88.2 151.7 -16.2 23.0 -8.0 37 197 A E T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.2 -35,-0.1 0.847 120.3 55.2 -46.5 -41.2 -19.3 21.0 -8.1 38 198 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.558 124.7-100.4 -75.3 -1.8 -18.8 19.9 -4.4 39 199 A G S < S+ 0 0 16 -3,-3.1 2,-0.4 1,-0.3 -2,-0.1 0.367 77.8 135.1 104.3 -6.4 -18.6 23.6 -3.3 40 200 A T - 0 0 15 260,-0.1 -4,-2.6 262,-0.1 2,-0.5 -0.605 46.5-141.4 -77.9 130.9 -14.8 24.0 -3.0 41 201 A Y E -Ab 35 302A 7 260,-2.4 262,-3.5 -2,-0.4 2,-0.7 -0.816 6.3-149.8 -90.8 126.0 -13.3 27.1 -4.5 42 202 A L E -Ab 34 303A 0 -8,-2.7 -8,-2.1 -2,-0.5 2,-0.6 -0.879 12.0-168.6 -90.0 114.3 -9.9 26.7 -6.3 43 203 A V E +Ab 33 304A 0 260,-2.0 262,-2.3 -2,-0.7 -10,-0.2 -0.931 17.5 160.6-105.1 116.3 -7.9 30.0 -6.0 44 204 A S + 0 0 0 -12,-1.9 2,-0.4 -2,-0.6 -16,-0.1 0.451 33.1 101.1-121.6 -5.3 -4.9 29.9 -8.3 45 205 A R > - 0 0 62 -13,-0.7 4,-2.8 1,-0.1 5,-0.3 -0.687 66.4-134.6 -82.2 137.5 -3.6 33.5 -8.9 46 206 A Y H > S+ 0 0 29 -2,-0.4 4,-3.6 263,-0.2 5,-0.3 0.933 105.5 51.1 -50.1 -55.4 -0.5 34.4 -6.9 47 207 A A H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 114.8 47.3 -53.0 -38.4 -1.7 37.9 -5.9 48 208 A D H > S+ 0 0 16 2,-0.2 4,-2.3 3,-0.2 5,-0.4 0.911 113.1 43.7 -70.8 -46.3 -4.9 36.1 -4.7 49 209 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.948 116.5 50.6 -66.2 -44.0 -3.3 33.3 -2.8 50 210 A S H < S+ 0 0 35 -4,-3.6 4,-0.4 -5,-0.3 -2,-0.2 0.886 118.1 34.5 -62.5 -42.3 -0.9 35.8 -1.3 51 211 A H H < S+ 0 0 104 -4,-2.1 3,-0.2 -5,-0.3 4,-0.2 0.952 125.6 35.9 -78.3 -48.7 -3.4 38.3 -0.1 52 212 A F H >< S+ 0 0 32 -4,-2.3 3,-1.1 -5,-0.2 -3,-0.2 0.788 103.7 65.4 -81.1 -30.9 -6.3 36.1 0.9 53 213 A A T 3< S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.4 -3,-0.1 0.828 104.2 47.2 -65.7 -33.0 -4.7 33.0 2.4 54 214 A K T 3 S+ 0 0 106 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.447 80.4 122.9 -88.5 -0.9 -3.2 34.9 5.4 55 215 A L S X S- 0 0 51 -3,-1.1 3,-2.0 -4,-0.2 -3,-0.0 -0.321 70.4-124.9 -62.8 140.4 -6.3 36.8 6.3 56 216 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.723 107.7 67.6 -58.2 -24.1 -7.4 36.1 10.0 57 217 A I T 3 S+ 0 0 29 228,-0.1 229,-2.2 2,-0.1 2,-0.9 0.569 77.5 96.6 -71.5 -7.0 -10.9 35.1 8.7 58 218 A M E < -D 285 0B 10 -3,-2.0 2,-0.2 227,-0.2 -1,-0.1 -0.733 63.8-164.8 -88.9 103.7 -9.3 32.0 7.1 59 219 A S E -D 284 0B 8 225,-1.8 225,-2.4 -2,-0.9 4,-0.1 -0.550 25.2-166.5 -91.1 147.9 -9.8 29.1 9.6 60 220 A V S > S+ 0 0 7 -2,-0.2 3,-1.2 223,-0.2 4,-0.4 0.643 71.8 88.7 -91.9 -22.4 -8.1 25.7 9.6 61 221 A E G > S+ 0 0 99 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.811 79.8 54.5 -56.8 -42.9 -10.5 24.1 12.2 62 222 A P G > S+ 0 0 67 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.817 95.5 70.5 -62.8 -26.1 -13.3 22.7 9.8 63 223 A G G < S+ 0 0 41 -3,-1.2 -2,-0.2 1,-0.3 3,-0.1 0.738 100.7 47.6 -53.9 -23.3 -10.6 20.9 7.9 64 224 A W G X S+ 0 0 52 -3,-1.9 3,-0.9 -4,-0.4 -1,-0.3 0.331 81.3 102.0-100.5 5.2 -10.2 18.6 10.9 65 225 A A T < S+ 0 0 73 -3,-1.8 2,-0.4 1,-0.3 3,-0.2 0.956 101.0 13.4 -60.0 -57.5 -14.0 17.9 11.5 66 226 A D T 3 S+ 0 0 167 -4,-0.4 -1,-0.3 1,-0.1 4,-0.1 -0.624 81.9 146.3-116.8 70.0 -14.2 14.4 10.0 67 227 A A X - 0 0 11 -3,-0.9 3,-1.7 -2,-0.4 -1,-0.1 0.676 29.7-173.1 -79.8 -19.5 -10.4 13.8 9.8 68 228 A G G > S+ 0 0 48 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 -0.399 73.9 5.9 60.4-125.9 -10.8 10.1 10.6 69 229 A P G > S+ 0 0 20 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.885 127.8 65.8 -56.3 -35.6 -7.3 8.5 11.0 70 230 A W G X S+ 0 0 36 -3,-1.7 3,-2.1 1,-0.2 4,-0.3 0.597 73.3 92.1 -60.9 -5.2 -5.9 12.1 10.8 71 231 A A G X S+ 0 0 55 -3,-2.2 3,-1.5 1,-0.3 4,-0.3 0.815 74.6 69.4 -56.8 -25.8 -7.6 13.0 14.1 72 232 A V G < S+ 0 0 56 -3,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.704 100.9 44.0 -67.8 -22.5 -4.4 11.9 15.7 73 233 A A G < S+ 0 0 2 -3,-2.1 3,-0.5 -4,-0.1 -1,-0.3 0.363 88.3 94.5 -96.5 7.4 -2.6 14.9 14.3 74 234 A S S < S+ 0 0 35 -3,-1.5 2,-0.6 -4,-0.3 -2,-0.1 0.744 70.2 66.2 -81.1 -25.8 -5.4 17.5 15.1 75 235 A D S S+ 0 0 60 -4,-0.3 149,-0.3 -3,-0.2 -1,-0.3 -0.262 89.5 90.6 -86.6 43.8 -4.1 18.8 18.5 76 236 A T S > S- 0 0 11 -2,-0.6 3,-2.1 -3,-0.5 4,-0.1 -0.722 99.1 -79.2-127.4-177.5 -1.0 20.3 16.8 77 237 A A G > S+ 0 0 24 1,-0.3 3,-1.6 -2,-0.2 12,-0.1 0.877 124.5 57.4 -54.6 -42.7 -0.3 23.8 15.3 78 238 A L G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.547 101.6 58.1 -71.0 -4.5 -2.1 23.1 12.0 79 239 A G G < S+ 0 0 13 -3,-2.1 2,-0.4 -6,-0.1 -1,-0.3 0.256 97.8 71.8-105.6 13.5 -5.4 22.4 13.9 80 240 A S < - 0 0 16 -3,-1.6 -5,-0.0 -4,-0.1 -1,-0.0 -0.988 62.4-150.1-134.2 136.4 -5.7 25.7 15.7 81 241 A D >> - 0 0 29 -2,-0.4 4,-1.2 1,-0.1 3,-0.8 -0.655 51.6 -52.6 -85.4 155.5 -6.5 29.2 14.6 82 242 A P T 34 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.388 115.8 39.9 -53.1 145.5 -5.0 32.1 16.6 83 243 A P T 3> S+ 0 0 112 0, 0.0 4,-0.7 0, 0.0 3,-0.3 -0.982 127.2 37.2 -86.9 -11.9 -4.8 32.9 19.4 84 244 A H H <> S+ 0 0 72 -3,-0.8 4,-1.4 1,-0.2 3,-0.3 0.794 107.5 69.2 -72.1 -24.6 -4.2 29.3 20.5 85 245 A H H >X S+ 0 0 9 -4,-1.2 4,-2.8 1,-0.2 3,-0.5 0.948 95.3 53.8 -53.4 -49.6 -2.1 28.6 17.5 86 246 A T H 3> S+ 0 0 70 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.834 102.6 56.6 -56.2 -37.2 0.5 30.9 18.8 87 247 A V H 3< S+ 0 0 43 -4,-0.7 4,-0.3 -3,-0.3 -1,-0.2 0.896 115.2 37.6 -65.6 -37.4 0.8 29.0 22.1 88 248 A L H X< S+ 0 0 7 -4,-1.4 3,-2.1 -3,-0.5 4,-0.5 0.951 113.9 53.5 -76.4 -51.7 1.5 25.7 20.3 89 249 A R H >X S+ 0 0 37 -4,-2.8 4,-2.2 1,-0.3 3,-1.2 0.835 100.7 61.5 -56.7 -35.7 3.7 27.1 17.5 90 250 A R H 3X S+ 0 0 136 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.3 0.700 92.4 67.0 -61.7 -22.4 6.0 28.8 20.0 91 251 A Q H <4 S+ 0 0 8 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.757 111.9 31.4 -76.3 -27.5 6.9 25.4 21.6 92 252 A T H X4 S+ 0 0 4 -3,-1.2 3,-1.8 -4,-0.5 4,-0.4 0.737 109.7 66.4 -99.6 -31.2 8.7 24.3 18.4 93 253 A N H >< S+ 0 0 74 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.896 94.7 59.3 -55.8 -41.2 9.9 27.7 17.1 94 254 A K T 3< S+ 0 0 101 -4,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.546 102.8 54.8 -72.0 -2.8 12.3 28.1 20.1 95 255 A W T < S+ 0 0 45 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.486 106.6 50.6-101.4 -5.5 14.0 24.8 19.0 96 256 A F < + 0 0 10 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.250 66.5 143.5-131.4 48.7 14.8 25.9 15.5 97 257 A T > - 0 0 60 -3,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.451 68.9-102.4 -72.4 157.2 16.4 29.3 15.8 98 258 A P H > S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.869 121.4 51.4 -59.5 -34.1 19.1 29.6 13.1 99 259 A K H > S+ 0 0 174 2,-0.2 4,-1.5 1,-0.2 -3,-0.0 0.919 111.1 47.9 -64.4 -43.7 22.0 28.9 15.6 100 260 A L H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.922 109.0 55.4 -64.4 -38.7 20.3 25.7 16.9 101 261 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.881 101.4 55.9 -58.8 -43.0 19.6 24.6 13.3 102 262 A D H < S+ 0 0 100 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.874 110.4 48.6 -58.7 -39.1 23.4 24.8 12.4 103 263 A G H >< S+ 0 0 18 -4,-1.5 3,-1.5 -3,-0.2 4,-0.4 0.953 109.0 51.0 -62.7 -52.6 23.8 22.5 15.3 104 264 A W H >< S+ 0 0 59 -4,-2.3 3,-1.2 1,-0.3 4,-0.5 0.857 103.5 58.1 -59.8 -39.1 21.1 20.0 14.2 105 265 A V T 3X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.3 -1,-0.3 0.539 80.7 83.3 -76.5 -3.4 22.4 19.6 10.7 106 266 A R H <> S+ 0 0 170 -3,-1.5 4,-3.0 -4,-0.3 -1,-0.3 0.907 91.1 56.0 -53.6 -42.6 25.8 18.4 11.8 107 267 A T H <> S+ 0 0 16 -3,-1.2 4,-2.1 -4,-0.4 -1,-0.2 0.882 104.7 49.6 -51.1 -45.5 23.9 15.1 12.0 108 268 A T H > S+ 0 0 0 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.909 111.7 50.0 -65.2 -39.9 22.9 15.4 8.4 109 269 A R H X S+ 0 0 99 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 109.9 48.5 -62.7 -54.7 26.5 16.1 7.5 110 270 A E H X S+ 0 0 97 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.938 113.0 49.3 -46.0 -54.2 27.9 13.1 9.4 111 271 A L H X S+ 0 0 32 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.824 110.1 46.4 -66.2 -41.2 25.4 10.7 7.8 112 272 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.893 115.2 50.9 -68.9 -35.7 25.8 11.7 4.2 113 273 A G H X S+ 0 0 8 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.917 106.1 52.0 -61.1 -50.1 29.6 11.5 4.8 114 274 A D H X S+ 0 0 106 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.857 113.1 48.7 -53.3 -38.4 29.5 8.0 6.3 115 275 A L H >< S+ 0 0 49 -4,-1.4 3,-0.5 -5,-0.2 -2,-0.2 0.936 109.8 46.2 -74.6 -47.2 27.5 6.9 3.3 116 276 A L H >< S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.821 104.1 65.8 -66.0 -27.5 29.7 8.4 0.6 117 277 A D H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.887 101.8 49.2 -56.0 -40.5 32.8 7.0 2.4 118 278 A G T << S+ 0 0 59 -4,-1.0 2,-0.3 -3,-0.5 -1,-0.3 0.284 93.7 100.9 -83.7 5.9 31.5 3.5 1.6 119 279 A V < - 0 0 22 -3,-1.6 2,-0.3 -4,-0.1 3,-0.1 -0.785 57.6-151.2-100.6 145.7 30.9 4.2 -2.1 120 280 A E > - 0 0 142 -2,-0.3 3,-2.3 1,-0.1 -2,-0.0 -0.758 40.3 -78.5-105.7 147.0 33.2 3.1 -4.9 121 281 A A T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 271,-0.1 -0.188 118.3 12.5 -43.5 132.6 33.6 4.9 -8.2 122 282 A G T 3 S+ 0 0 51 269,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.441 87.1 144.1 79.8 -1.7 30.7 4.0 -10.5 123 283 A Q < - 0 0 87 -3,-2.3 268,-0.5 268,-0.1 2,-0.4 -0.570 53.2-123.3 -74.4 130.1 28.5 2.5 -7.8 124 284 A V - 0 0 85 -2,-0.3 2,-0.4 266,-0.1 266,-0.2 -0.684 27.9-160.0 -73.9 121.6 24.8 3.2 -8.4 125 285 A I E -E 389 0C 9 264,-2.9 264,-3.3 -2,-0.4 2,-1.0 -0.864 17.6-134.0-104.4 139.2 23.4 5.0 -5.2 126 286 A E E > -E 388 0C 39 -2,-0.4 4,-2.0 262,-0.2 5,-0.3 -0.861 25.2-170.4 -95.4 97.5 19.7 4.9 -4.5 127 287 A A H >>S+ 0 0 0 260,-2.9 4,-2.0 -2,-1.0 5,-1.4 0.754 70.9 64.9 -67.3 -27.7 19.4 8.6 -3.6 128 288 A R H 4>S+ 0 0 36 1,-0.2 5,-2.6 3,-0.2 4,-0.5 0.947 116.3 25.0 -68.9 -49.9 15.8 8.6 -2.3 129 289 A R H 4>S+ 0 0 88 -3,-0.2 5,-2.6 3,-0.2 -1,-0.2 0.930 130.2 39.5 -73.4 -48.8 16.4 6.4 0.7 130 290 A D H <5S+ 0 0 47 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.732 128.2 23.9 -90.5 -22.2 20.1 7.0 1.3 131 291 A L T <5S+ 0 0 0 -4,-2.0 -3,-0.2 -5,-0.3 -1,-0.2 0.652 134.3 24.6-110.4 -23.1 20.6 10.7 0.7 132 292 A A T > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.947 117.4 41.3 -57.0 -47.3 19.5 11.4 6.7 136 296 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.904 114.7 51.6 -67.3 -41.5 16.5 13.8 7.3 137 297 A H H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.923 113.0 44.2 -56.3 -47.8 14.6 11.3 9.4 138 298 A V H X S+ 0 0 9 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.902 110.0 56.1 -69.8 -39.3 17.6 10.7 11.7 139 299 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.940 112.3 41.7 -53.6 -50.5 18.4 14.4 11.9 140 300 A M H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 111.0 56.3 -68.4 -38.1 14.9 15.1 13.2 141 301 A A H X>S+ 0 0 0 -4,-2.2 5,-1.9 -5,-0.2 4,-1.8 0.920 108.1 48.9 -61.4 -41.6 14.8 12.0 15.5 142 302 A R H <5S+ 0 0 82 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.842 108.1 53.0 -68.1 -35.3 18.0 13.3 17.2 143 303 A V H <5S+ 0 0 2 -4,-1.9 60,-2.0 -5,-0.2 61,-0.2 0.970 116.6 40.0 -56.1 -52.1 16.5 16.8 17.7 144 304 A L H <5S- 0 0 0 -4,-2.6 60,-1.8 58,-0.2 61,-0.6 0.802 110.0-127.7 -67.8 -25.5 13.5 15.1 19.3 145 305 A Q T <5 + 0 0 72 -4,-1.8 -3,-0.2 1,-0.2 57,-0.1 0.910 62.2 133.6 68.3 56.0 15.8 12.6 21.2 146 306 A L < - 0 0 11 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.829 67.7 -70.5-127.1 159.9 13.9 9.5 19.9 147 307 A P - 0 0 63 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.241 41.4-160.4 -56.0 147.7 15.0 6.2 18.4 148 308 A E + 0 0 75 1,-0.1 3,-0.3 2,-0.1 -7,-0.1 0.149 64.7 87.3-118.8 19.2 16.3 6.7 14.9 149 309 A D + 0 0 138 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.508 67.8 75.3-104.6 -1.6 16.1 3.3 13.3 150 310 A D > + 0 0 35 1,-0.2 4,-2.5 -3,-0.2 3,-0.4 0.165 49.5 124.3-102.1 19.3 12.6 3.2 11.9 151 311 A A H > S+ 0 0 5 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.836 73.7 52.3 -45.9 -41.1 13.0 5.4 8.8 152 312 A D H > S+ 0 0 65 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.927 114.3 39.5 -70.0 -41.3 11.7 2.7 6.4 153 313 A A H > S+ 0 0 34 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.841 114.6 54.5 -75.4 -33.0 8.5 1.9 8.3 154 314 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.949 108.8 49.7 -69.6 -42.1 7.9 5.6 9.1 155 315 A M H X S+ 0 0 26 -4,-2.6 4,-2.7 -5,-0.4 -2,-0.2 0.969 111.5 45.5 -66.0 -38.9 8.1 6.5 5.5 156 316 A E H X S+ 0 0 89 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.865 111.0 55.3 -70.4 -35.9 5.7 3.8 4.2 157 317 A A H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.957 111.6 42.1 -55.5 -51.0 3.3 4.7 7.0 158 318 A M H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.890 109.5 58.0 -72.6 -35.0 3.2 8.3 5.9 159 319 A F H < S+ 0 0 31 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.948 112.7 42.5 -50.2 -42.3 3.0 7.4 2.2 160 320 A E H >< S+ 0 0 62 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.860 112.7 51.7 -79.7 -35.6 -0.1 5.5 3.0 161 321 A A H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.829 104.1 58.8 -69.9 -33.9 -1.6 8.1 5.3 162 322 A M G >< S+ 0 0 10 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.651 83.4 80.2 -71.3 -16.6 -1.1 10.8 2.7 163 323 A L G X S+ 0 0 33 -3,-0.8 3,-1.4 -4,-0.4 -1,-0.2 0.851 87.0 58.8 -65.9 -27.2 -3.3 9.2 0.1 164 324 A M G < S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.579 88.4 73.4 -81.4 -0.6 -6.5 10.4 1.8 165 325 A Q G < S+ 0 0 57 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.610 75.2 108.3 -79.4 -9.1 -5.3 14.0 1.4 166 326 A S S < S- 0 0 8 -3,-1.4 -154,-0.0 -4,-0.3 -155,-0.0 -0.328 79.8-127.4 -61.9 153.3 -6.2 13.6 -2.4 167 327 A A S S+ 0 0 34 1,-0.3 -1,-0.2 -156,-0.1 -155,-0.1 0.678 109.0 37.1 -70.9 -18.8 -9.3 15.6 -3.6 168 328 A E S S- 0 0 65 -157,-0.1 -1,-0.3 2,-0.0 -3,-0.1 -0.677 83.8-167.7-134.7 76.2 -10.4 12.2 -5.0 169 329 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.361 19.9-120.9 -64.4 144.9 -9.4 9.4 -2.7 170 330 A A > - 0 0 60 -7,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.448 42.5 -82.9 -69.4 156.7 -9.6 5.7 -4.0 171 331 A D T 3 S+ 0 0 169 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.485 120.3 27.4 -60.1 124.7 -11.8 3.2 -2.2 172 332 A G T 3> S+ 0 0 23 -2,-0.3 4,-2.3 -3,-0.1 -1,-0.2 0.112 85.9 108.0 108.2 -20.5 -9.7 2.0 0.7 173 333 A D H <> S+ 0 0 12 -3,-1.9 4,-2.2 1,-0.3 -9,-0.3 0.867 78.6 51.7 -65.7 -40.0 -7.5 5.0 1.3 174 334 A V H > S+ 0 0 71 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.918 112.4 50.5 -60.3 -36.8 -9.1 6.1 4.5 175 335 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.883 107.0 51.0 -71.2 -40.3 -8.5 2.4 5.6 176 336 A R H X S+ 0 0 100 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.881 109.0 53.5 -59.6 -36.2 -4.8 2.4 4.7 177 337 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.855 104.5 54.6 -72.1 -31.0 -4.5 5.7 6.7 178 338 A A H X S+ 0 0 51 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.903 109.7 47.3 -66.3 -36.6 -6.0 3.9 9.8 179 339 A V H X S+ 0 0 115 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.977 115.3 45.9 -66.3 -51.1 -3.4 1.2 9.5 180 340 A A H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.878 115.7 42.8 -55.0 -54.6 -0.6 3.7 9.1 181 341 A F H X S+ 0 0 8 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.841 110.4 54.9 -69.9 -37.2 -1.6 6.1 11.9 182 342 A G H X S+ 0 0 42 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.892 110.6 49.5 -64.7 -35.6 -2.4 3.3 14.3 183 343 A Y H X S+ 0 0 78 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.940 111.8 46.2 -57.6 -53.6 1.1 2.1 13.7 184 344 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.943 112.4 51.6 -60.5 -43.2 2.7 5.5 14.2 185 345 A S H X S+ 0 0 39 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.923 110.8 48.1 -60.3 -41.8 0.6 6.1 17.5 186 346 A A H X S+ 0 0 57 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.881 112.0 48.0 -65.6 -44.9 1.7 2.7 18.9 187 347 A R H X S+ 0 0 83 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.886 114.9 46.2 -60.2 -39.9 5.3 3.4 18.2 188 348 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.944 110.1 52.8 -70.5 -46.2 5.1 6.9 19.7 189 349 A A H X S+ 0 0 65 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.938 111.8 48.5 -50.3 -45.0 3.3 5.6 22.8 190 350 A E H X S+ 0 0 93 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.939 111.3 46.4 -63.8 -51.1 6.1 3.0 23.2 191 351 A M H X S+ 0 0 19 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.826 112.7 52.2 -58.5 -34.2 9.0 5.5 22.8 192 352 A L H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.832 104.7 53.3 -76.3 -34.3 7.3 7.9 25.3 193 353 A E H X S+ 0 0 92 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.890 111.5 47.7 -63.2 -36.1 6.8 5.4 27.9 194 354 A D H X S+ 0 0 102 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.869 112.3 49.9 -71.1 -36.3 10.6 4.7 27.6 195 355 A K H < S+ 0 0 21 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.878 104.3 56.9 -66.3 -39.0 11.2 8.4 27.8 196 356 A R H < S+ 0 0 149 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.0 40.5 -57.5 -37.5 8.9 8.9 31.0 197 357 A V H < S+ 0 0 103 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.718 131.8 24.1 -81.6 -29.4 11.2 6.4 32.7 198 358 A N S < S- 0 0 126 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 -0.532 85.3-162.6-142.4 68.6 14.5 7.6 31.2 199 359 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.115 6.0-169.7 -59.0 147.4 14.2 11.3 30.2 200 360 A G - 0 0 32 -55,-0.1 -55,-0.0 2,-0.1 -5,-0.0 -0.340 33.3-107.3-109.4-159.7 16.5 13.1 27.8 201 361 A D S S+ 0 0 129 -2,-0.2 2,-0.1 4,-0.0 -56,-0.1 -0.254 73.3 116.2-128.0 47.6 16.9 16.8 27.0 202 362 A G S > S- 0 0 1 -58,-0.3 4,-2.4 -57,-0.1 -58,-0.2 -0.449 84.6 -84.0-106.4-177.7 15.4 16.9 23.4 203 363 A L H > S+ 0 0 0 -60,-2.0 4,-2.4 1,-0.2 -59,-0.2 0.768 128.1 53.7 -59.8 -25.6 12.4 18.5 21.8 204 364 A A H > S+ 0 0 0 -60,-1.8 4,-2.5 -61,-0.2 -1,-0.2 0.932 109.5 47.4 -76.4 -42.7 10.2 15.6 22.9 205 365 A D H > S+ 0 0 9 -61,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.853 110.8 53.9 -58.7 -33.8 11.3 16.0 26.5 206 366 A S H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.972 110.6 44.0 -70.8 -48.1 10.6 19.8 26.0 207 367 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.872 114.2 50.6 -61.4 -37.8 7.0 19.2 24.9 208 368 A L H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.877 110.5 49.3 -67.6 -34.5 6.4 16.6 27.6 209 369 A D H X S+ 0 0 98 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.931 107.5 55.9 -66.7 -46.7 7.8 19.1 30.3 210 370 A A H <>S+ 0 0 2 -4,-2.7 5,-1.8 1,-0.2 6,-0.9 0.863 108.7 46.4 -54.4 -40.7 5.5 21.7 28.8 211 371 A A H ><5S+ 0 0 23 -4,-1.7 3,-0.6 2,-0.2 7,-0.2 0.873 109.3 52.5 -70.6 -39.3 2.4 19.4 29.4 212 372 A R H 3<5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.6 49.3 -63.8 -29.3 3.4 18.5 32.9 213 373 A A T 3<5S- 0 0 73 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.550 114.8-118.8 -85.2 -12.5 3.7 22.3 33.6 214 374 A G T < 5S+ 0 0 58 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.497 80.5 122.3 88.0 2.7 0.2 22.9 32.0 215 375 A E S > - 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