==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 05-MAR-04 1SKX . COMPND 2 MOLECULE: ORPHAN NUCLEAR RECEPTOR PXR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.CHRENCIK,Y.XUE,J.O.ORANS,M.R.REDINBO . 242 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 1 0 0 0 1 1 0 0 0 0 1 0 0 1 0 2 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 143 A L 0 0 75 0, 0.0 185,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 130.6 -7.0 46.8 12.3 2 144 A T > - 0 0 73 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.282 360.0-107.9 -76.4 165.4 -10.5 47.7 13.6 3 145 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 120.7 53.0 -62.2 -38.3 -13.3 48.8 11.3 4 146 A E H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 108.0 49.6 -64.1 -42.2 -13.0 52.4 12.6 5 147 A Q H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.808 112.6 49.8 -65.7 -28.2 -9.2 52.4 11.9 6 148 A R H X S+ 0 0 139 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.864 110.6 46.7 -77.8 -37.1 -10.2 51.1 8.4 7 149 A M H X S+ 0 0 99 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.734 110.0 57.8 -74.4 -21.6 -12.8 53.8 7.8 8 150 A M H X S+ 0 0 1 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.888 107.6 43.4 -74.3 -41.9 -10.2 56.3 9.1 9 151 A I H X S+ 0 0 15 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.849 114.0 52.9 -72.0 -35.3 -7.6 55.4 6.5 10 152 A R H X S+ 0 0 179 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.871 107.6 49.0 -68.7 -38.8 -10.3 55.3 3.8 11 153 A E H X S+ 0 0 38 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.838 116.4 45.4 -68.1 -32.5 -11.6 58.8 4.6 12 154 A L H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.876 114.3 46.3 -76.6 -42.4 -8.0 60.0 4.5 13 155 A M H X S+ 0 0 46 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.829 111.4 52.4 -69.5 -35.1 -7.2 58.2 1.3 14 156 A D H X S+ 0 0 43 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.878 109.8 49.0 -69.1 -37.1 -10.3 59.4 -0.3 15 157 A A H X S+ 0 0 0 -4,-1.2 4,-1.3 -5,-0.2 -2,-0.2 0.831 111.3 52.2 -70.5 -31.6 -9.4 63.0 0.6 16 158 A Q H X S+ 0 0 8 -4,-1.5 4,-1.7 2,-0.2 3,-0.4 0.959 109.4 44.4 -69.0 -55.2 -5.9 62.5 -0.8 17 159 A M H < S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.782 114.5 52.1 -63.8 -26.1 -6.9 61.2 -4.2 18 160 A K H < S+ 0 0 123 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.813 122.1 27.8 -78.6 -31.4 -9.5 63.9 -4.6 19 161 A T H < S+ 0 0 25 -4,-1.3 2,-0.7 -3,-0.4 -2,-0.2 0.397 101.4 86.2-113.0 2.1 -7.2 66.8 -3.7 20 162 A F < - 0 0 20 -4,-1.7 2,-1.8 57,-0.1 3,-0.1 -0.865 54.3-165.8-111.7 101.9 -3.8 65.6 -4.8 21 163 A D > - 0 0 45 -2,-0.7 3,-2.7 1,-0.2 6,-0.1 -0.599 9.9-176.5 -84.3 78.1 -3.1 66.3 -8.5 22 164 A T T 3 S+ 0 0 82 -2,-1.8 101,-0.3 1,-0.3 -1,-0.2 0.670 81.4 46.2 -50.8 -23.3 -0.1 64.0 -8.7 23 165 A T T 3 S- 0 0 73 99,-0.1 101,-0.6 -3,-0.1 -1,-0.3 0.376 102.6-130.3-102.4 0.8 0.6 65.0 -12.3 24 166 A F X + 0 0 13 -3,-2.7 3,-0.7 99,-0.2 100,-0.2 0.901 51.3 154.8 49.4 46.5 0.2 68.8 -11.7 25 167 A S T 3 + 0 0 78 1,-0.2 -1,-0.1 98,-0.1 -3,-0.0 0.813 68.8 48.2 -71.9 -32.8 -2.2 69.0 -14.7 26 168 A H T 3 S+ 0 0 157 -5,-0.1 2,-1.1 1,-0.1 -1,-0.2 0.323 84.3 104.7 -92.0 6.7 -3.9 72.1 -13.4 27 169 A F < + 0 0 17 -3,-0.7 2,-0.3 -6,-0.1 3,-0.1 -0.774 49.9 118.5 -93.4 99.3 -0.7 73.9 -12.6 28 170 A K + 0 0 125 -2,-1.1 3,-0.1 1,-0.1 -2,-0.0 -0.871 40.6 56.5-146.1 177.8 -0.4 76.5 -15.4 29 171 A N S S+ 0 0 161 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.717 76.7 149.1 65.5 21.9 -0.2 80.3 -15.9 30 172 A F - 0 0 22 1,-0.1 -1,-0.2 -3,-0.1 33,-0.1 -0.595 50.3-102.4 -91.0 149.4 2.8 80.3 -13.5 31 173 A R - 0 0 112 31,-0.3 35,-0.1 -2,-0.2 -1,-0.1 -0.320 31.9-158.4 -69.2 146.9 5.7 82.7 -13.6 32 174 A L - 0 0 78 31,-0.1 2,-2.1 30,-0.1 28,-0.0 -0.903 35.0 -95.4-124.5 154.2 9.1 81.7 -15.0 33 175 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 27,-0.1 -0.463 45.5-145.7 -70.1 82.5 12.5 83.2 -14.4 34 176 A G 0 0 78 -2,-2.1 -3,-0.0 1,-0.2 0, 0.0 -0.327 360.0 360.0 -54.1 115.9 12.5 85.5 -17.4 35 177 A V 0 0 189 -2,-0.2 -1,-0.2 24,-0.0 24,-0.0 0.695 360.0 360.0 -80.0 360.0 16.2 85.6 -18.7 36 ! 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 37 210 A K 0 0 158 0, 0.0 93,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 56.5 20.8 76.0 -6.9 38 211 A V E -A 129 0A 37 91,-0.2 2,-0.2 92,-0.0 91,-0.2 -0.989 360.0-143.4-134.9 128.2 17.9 74.3 -8.7 39 212 A S E -A 128 0A 30 89,-3.0 89,-1.8 -2,-0.4 2,-0.5 -0.617 18.0-151.1 -84.7 145.2 17.6 73.2 -12.3 40 213 A L E -AB 127 52A 5 12,-1.8 12,-2.3 -2,-0.2 2,-0.4 -0.971 11.7-173.0-126.3 122.6 14.1 73.6 -13.9 41 214 A Q E -AB 126 51A 58 85,-2.2 85,-1.4 -2,-0.5 2,-0.4 -0.922 5.6-170.7-114.4 139.8 12.7 71.4 -16.7 42 215 A L E -AB 125 50A 39 8,-2.2 8,-1.6 -2,-0.4 2,-0.3 -0.800 8.6-161.4-131.7 90.2 9.5 71.9 -18.6 43 216 A R E - B 0 49A 66 81,-2.6 6,-0.2 -2,-0.4 2,-0.2 -0.531 13.2-144.4 -73.3 130.6 8.4 69.1 -20.9 44 217 A G > - 0 0 11 4,-3.7 3,-0.9 -2,-0.3 -1,-0.0 -0.623 18.7-123.7 -94.7 156.9 5.8 70.1 -23.5 45 218 A E T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.895 114.6 58.7 -61.7 -39.7 3.0 67.9 -24.7 46 219 A D T 3 S- 0 0 124 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.724 126.2-102.3 -62.2 -23.2 4.4 68.4 -28.2 47 220 A G S < S+ 0 0 58 -3,-0.9 -2,-0.1 1,-0.4 -1,-0.1 0.333 78.2 134.7 115.4 -5.7 7.7 67.0 -27.1 48 221 A S - 0 0 55 -5,-0.1 -4,-3.7 1,-0.0 2,-0.4 -0.383 40.9-149.3 -74.5 156.4 9.6 70.2 -26.7 49 222 A V E -B 43 0A 71 -6,-0.2 2,-0.6 -3,-0.1 -6,-0.2 -0.986 9.9-163.9-134.8 126.9 11.7 70.7 -23.6 50 223 A W E -B 42 0A 192 -8,-1.6 -8,-2.2 -2,-0.4 2,-0.4 -0.935 14.5-173.0-109.6 117.9 12.6 73.9 -21.8 51 224 A N E -B 41 0A 94 -2,-0.6 2,-0.4 -10,-0.2 -10,-0.2 -0.889 7.5-157.7-113.5 142.8 15.5 73.7 -19.3 52 225 A Y E -B 40 0A 44 -12,-2.3 -12,-1.8 -2,-0.4 -2,-0.0 -0.973 4.6-166.5-123.3 129.2 16.7 76.4 -16.9 53 226 A K - 0 0 153 -2,-0.4 -14,-0.1 -14,-0.2 -2,-0.0 -0.963 26.4-129.2-114.4 115.4 20.2 76.6 -15.4 54 227 A P 0 0 17 0, 0.0 -15,-0.0 0, 0.0 -2,-0.0 -0.128 360.0 360.0 -60.6 157.8 20.3 79.1 -12.5 55 228 A P 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.536 360.0 360.0 -70.3 360.0 22.9 81.9 -12.2 56 ! 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 57 236 A I 0 0 170 0, 0.0 3,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 8.0 19.2 85.6 -7.2 58 237 A F + 0 0 84 1,-0.2 3,-0.4 2,-0.1 0, 0.0 0.021 360.0 110.9-102.3 22.3 15.4 86.2 -6.6 59 238 A S S S+ 0 0 43 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.743 77.9 43.6 -70.1 -25.3 14.7 84.9 -10.1 60 239 A L S > S+ 0 0 24 -3,-0.3 4,-2.9 1,-0.1 5,-0.2 0.533 90.0 86.0 -98.4 -6.7 12.9 81.8 -8.9 61 240 A L H > S+ 0 0 36 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.927 88.4 50.4 -60.3 -47.8 10.9 83.3 -6.1 62 241 A P H > S+ 0 0 36 0, 0.0 4,-1.2 0, 0.0 -31,-0.3 0.949 116.7 40.9 -55.7 -51.1 7.9 84.3 -8.3 63 242 A H H >> S+ 0 0 0 -4,-0.4 4,-1.9 1,-0.2 3,-0.8 0.945 114.7 50.5 -61.0 -51.5 7.7 80.8 -9.8 64 243 A M H 3X S+ 0 0 65 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.814 107.5 55.9 -57.6 -31.6 8.3 79.1 -6.5 65 244 A A H 3X S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.3 0.801 106.9 50.0 -70.8 -30.8 5.5 81.3 -5.0 66 245 A D H < S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 7,-0.3 0.916 112.0 54.0 -62.0 -46.7 -8.3 69.2 5.2 80 259 A K H 3< S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.707 104.8 54.2 -64.2 -22.4 -11.8 70.6 4.3 81 260 A V T 3< S+ 0 0 37 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.3 0.365 89.9 95.3 -92.6 3.4 -12.9 67.2 2.8 82 261 A I X> - 0 0 0 -3,-1.6 4,-2.5 -4,-0.2 3,-1.0 -0.852 67.7-149.0 -98.1 124.6 -12.0 65.4 6.1 83 262 A S H 3> S+ 0 0 27 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.956 97.6 56.2 -56.1 -54.2 -14.8 64.9 8.5 84 263 A Y H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 95,-0.1 0.706 113.4 44.8 -53.6 -18.7 -12.6 65.1 11.6 85 264 A F H X4 S+ 0 0 0 -3,-1.0 3,-1.5 -6,-0.2 -1,-0.2 0.876 110.1 50.2 -91.7 -45.6 -11.5 68.4 10.3 86 265 A R H 3< S+ 0 0 136 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.807 100.4 65.3 -62.2 -32.8 -14.9 69.9 9.3 87 266 A D T 3< S+ 0 0 134 -4,-2.5 -1,-0.3 -5,-0.2 -3,-0.1 0.322 89.4 91.4 -74.6 10.7 -16.3 69.0 12.8 88 267 A L S < S- 0 0 11 -3,-1.5 5,-0.1 -5,-0.2 -3,-0.0 -0.813 92.4 -94.9-106.2 147.2 -13.9 71.5 14.2 89 268 A P >> - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.331 36.1-114.4 -60.6 139.1 -14.7 75.2 14.7 90 269 A I H 3> S+ 0 0 88 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.808 116.7 58.1 -41.1 -41.2 -13.7 77.5 11.8 91 270 A E H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.886 108.1 45.7 -60.6 -39.6 -11.1 79.2 14.1 92 271 A D H <> S+ 0 0 0 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.766 108.3 56.6 -74.7 -27.6 -9.4 75.9 14.8 93 272 A Q H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.903 111.3 43.9 -68.7 -41.7 -9.5 74.9 11.1 94 273 A I H X S+ 0 0 86 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.924 113.3 49.5 -68.8 -46.8 -7.6 78.1 10.3 95 274 A S H X S+ 0 0 26 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.872 115.9 43.6 -60.7 -39.0 -5.1 77.8 13.2 96 275 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.909 111.0 53.4 -72.8 -45.8 -4.3 74.2 12.3 97 276 A L H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.871 108.4 50.8 -58.2 -38.6 -4.1 74.8 8.5 98 277 A K H < S+ 0 0 94 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.820 112.9 46.1 -70.8 -29.9 -1.6 77.6 9.1 99 278 A G H < S+ 0 0 14 -4,-1.0 4,-0.4 -3,-0.3 -2,-0.2 0.862 123.2 31.5 -80.4 -37.5 0.6 75.4 11.3 100 279 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 62,-0.2 5,-0.4 0.748 91.1 97.4 -92.0 -25.8 0.6 72.3 9.1 101 280 A A H X S+ 0 0 3 -4,-2.4 4,-1.5 -5,-0.4 5,-0.1 0.800 91.4 38.0 -28.8 -65.4 0.4 74.0 5.6 102 281 A F H > S+ 0 0 13 -4,-0.4 4,-1.9 1,-0.2 3,-0.3 0.935 116.0 53.7 -57.1 -48.0 4.1 73.8 4.9 103 282 A E H > S+ 0 0 2 -4,-0.4 4,-2.3 -3,-0.3 -2,-0.2 0.879 107.9 48.8 -55.2 -44.9 4.5 70.4 6.5 104 283 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.830 108.8 54.6 -66.9 -33.0 1.8 68.8 4.4 105 284 A C H X S+ 0 0 5 -4,-1.5 4,-2.4 -5,-0.4 -1,-0.2 0.884 110.2 46.4 -66.9 -39.0 3.3 70.3 1.2 106 285 A Q H X S+ 0 0 21 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.893 109.8 52.1 -68.6 -43.1 6.7 68.7 2.1 107 286 A L H X S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.847 114.6 45.5 -62.3 -33.0 5.1 65.3 2.9 108 287 A R H >X S+ 0 0 3 -4,-1.6 3,-0.9 1,-0.2 4,-0.6 0.889 107.8 54.2 -77.3 -41.0 3.4 65.6 -0.5 109 288 A F H >< S+ 0 0 28 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.767 100.1 65.4 -63.4 -25.1 6.5 66.7 -2.4 110 289 A N H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.816 92.9 58.6 -68.6 -30.2 8.3 63.7 -1.1 111 290 A T H << S+ 0 0 37 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.736 110.9 42.5 -70.7 -23.0 6.0 61.3 -3.0 112 291 A V T << S+ 0 0 19 -3,-0.6 9,-2.1 -4,-0.6 2,-0.4 0.199 93.0 112.8-105.7 13.2 7.1 62.9 -6.3 113 292 A F E < -C 120 0A 4 -3,-1.1 2,-0.8 7,-0.2 7,-0.2 -0.731 55.1-154.9 -90.1 131.0 10.8 63.0 -5.1 114 293 A N E >> -C 119 0A 39 5,-3.0 5,-1.5 -2,-0.4 4,-1.5 -0.851 9.1-174.8-107.9 96.4 13.2 60.9 -7.0 115 294 A A T 45S+ 0 0 23 -2,-0.8 -1,-0.2 3,-0.2 5,-0.1 0.790 81.1 62.1 -58.9 -30.1 16.1 60.2 -4.5 116 295 A E T 45S+ 0 0 172 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.982 121.0 20.2 -61.0 -59.7 18.0 58.4 -7.3 117 296 A T T 45S- 0 0 83 2,-0.1 12,-0.4 11,-0.0 -1,-0.2 0.436 104.6-124.9 -90.7 -0.2 18.3 61.4 -9.6 118 297 A G T <5 + 0 0 5 -4,-1.5 11,-0.9 1,-0.2 2,-0.3 0.931 67.0 124.8 57.1 48.2 17.7 63.9 -6.8 119 298 A T E < -CD 114 128A 12 -5,-1.5 -5,-3.0 9,-0.2 2,-0.9 -0.992 63.0-128.6-141.2 148.8 14.8 65.6 -8.5 120 299 A W E -CD 113 127A 26 7,-2.1 7,-1.4 -2,-0.3 2,-1.4 -0.826 23.0-155.6 -95.4 102.7 11.1 66.4 -7.9 121 300 A E E + D 0 126A 95 -9,-2.1 2,-0.9 -2,-0.9 5,-0.2 -0.642 18.1 174.9 -83.5 93.4 9.2 65.1 -10.8 122 301 A C E > - D 0 125A 1 -2,-1.4 3,-1.6 3,-1.0 2,-0.4 -0.507 54.6 -88.5 -99.3 65.7 6.1 67.3 -10.8 123 302 A G T 3 S- 0 0 29 -2,-0.9 -99,-0.2 -101,-0.3 -80,-0.1 -0.581 110.3 -0.8 72.0-121.7 4.3 66.1 -13.9 124 303 A R T 3 S+ 0 0 126 -101,-0.6 -81,-2.6 -2,-0.4 -1,-0.3 0.749 128.8 73.7 -71.1 -25.7 5.5 68.2 -16.9 125 304 A L E < -AD 42 122A 6 -3,-1.6 -3,-1.0 -83,-0.2 2,-0.3 -0.488 63.0-168.4 -87.9 158.8 7.8 70.2 -14.5 126 305 A S E -AD 41 121A 16 -85,-1.4 -85,-2.2 -5,-0.2 2,-0.6 -0.977 11.9-159.9-152.2 133.5 11.0 69.0 -12.9 127 306 A Y E +AD 40 120A 12 -7,-1.4 -7,-2.1 -2,-0.3 2,-0.2 -0.902 21.5 175.1-118.3 102.2 13.2 70.4 -10.1 128 307 A C E -AD 39 119A 43 -89,-1.8 -89,-3.0 -2,-0.6 2,-0.2 -0.643 24.1-120.8-104.1 160.8 16.8 69.0 -10.1 129 308 A L E A 38 0A 51 -11,-0.9 -91,-0.2 -12,-0.4 -1,-0.0 -0.648 360.0 360.0-101.0 159.1 19.8 69.9 -8.0 130 309 A E 0 0 103 -93,-1.1 -92,-0.0 -2,-0.2 -77,-0.0 -0.730 360.0 360.0-101.5 360.0 23.2 71.3 -8.9 131 ! 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 0.0 132 318 A L 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.9 25.6 68.5 0.3 133 319 A L + 0 0 77 1,-0.1 6,-0.1 2,-0.0 9,-0.0 0.448 360.0 109.9 71.8 0.4 22.7 66.9 2.2 134 320 A L + 0 0 150 4,-0.1 -1,-0.1 5,-0.1 3,-0.0 0.474 54.1 98.4 -80.2 -3.7 23.8 69.1 5.1 135 321 A E S > S- 0 0 68 1,-0.1 4,-2.9 2,-0.0 5,-0.3 -0.777 75.2-143.0 -89.0 122.0 20.6 70.9 4.4 136 322 A P H > S+ 0 0 58 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.812 100.9 56.9 -51.8 -32.8 17.7 69.9 6.8 137 323 A M H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.968 113.2 35.5 -63.9 -57.0 15.3 70.2 3.8 138 324 A L H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 115.4 54.7 -68.3 -38.2 17.1 67.8 1.5 139 325 A K H X S+ 0 0 94 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.893 107.7 52.9 -63.2 -36.6 18.2 65.4 4.3 140 326 A F H X S+ 0 0 3 -4,-1.6 4,-2.7 -5,-0.3 5,-0.3 0.950 109.6 46.4 -62.3 -50.5 14.5 65.2 5.3 141 327 A H H X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.873 115.6 46.1 -60.9 -38.0 13.4 64.3 1.8 142 328 A Y H X S+ 0 0 77 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.913 114.7 46.1 -71.9 -42.9 16.1 61.7 1.3 143 329 A M H X S+ 0 0 99 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.914 114.2 47.4 -65.0 -45.4 15.6 60.1 4.8 144 330 A L H < S+ 0 0 0 -4,-2.7 3,-0.4 -5,-0.2 5,-0.4 0.870 111.4 51.8 -65.2 -36.9 11.8 60.0 4.4 145 331 A K H >< S+ 0 0 58 -4,-1.6 3,-1.9 -5,-0.3 -1,-0.2 0.882 101.5 60.8 -65.6 -39.8 12.1 58.5 0.9 146 332 A K H 3< S+ 0 0 177 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 93.3 65.6 -58.6 -30.4 14.5 55.7 2.2 147 333 A L T 3< S- 0 0 30 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.683 94.3-148.1 -67.4 -17.4 11.7 54.5 4.5 148 334 A Q < - 0 0 152 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.1 0.944 23.9-169.7 44.9 67.5 9.7 53.5 1.4 149 335 A L - 0 0 18 -5,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.434 18.3-117.4 -86.1 159.2 6.3 54.2 2.8 150 336 A H > - 0 0 69 -2,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.389 33.0-103.4 -86.1 169.6 2.9 53.3 1.3 151 337 A E H >> S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.928 122.6 57.4 -60.1 -43.5 0.3 55.9 0.4 152 338 A E H 3> S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 105.4 50.5 -55.7 -38.1 -1.7 55.0 3.5 153 339 A E H 3> S+ 0 0 0 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.750 109.3 51.2 -72.6 -26.2 1.4 55.9 5.7 154 340 A Y H < S+ 0 0 3 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.920 113.6 47.1 -62.8 -46.9 0.7 66.9 11.3 162 348 A L H 3< S+ 0 0 0 -4,-2.8 2,-0.9 1,-0.3 -2,-0.2 0.868 111.2 52.5 -63.8 -40.9 -2.6 68.7 10.5 163 349 A F T 3< S+ 0 0 0 -4,-2.9 -1,-0.3 -5,-0.2 17,-0.2 -0.433 73.1 146.6 -97.1 59.0 -4.2 67.8 13.8 164 350 A S X - 0 0 4 -2,-0.9 3,-1.0 -3,-0.6 13,-0.1 -0.858 35.8-160.3 -96.4 118.7 -1.4 69.0 16.1 165 351 A P T 3 S+ 0 0 22 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.704 86.0 67.6 -69.9 -19.6 -2.9 70.3 19.4 166 352 A D T 3 + 0 0 91 2,-0.1 -3,-0.0 3,-0.1 -2,-0.0 0.144 68.3 125.6 -88.6 19.2 0.3 72.3 20.1 167 353 A R S X S- 0 0 12 -3,-1.0 3,-2.1 1,-0.1 2,-0.9 -0.650 75.1-106.7 -79.3 130.5 -0.3 74.7 17.1 168 354 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.421 107.6 27.9 -62.3 100.1 -0.2 78.4 18.4 169 355 A G T 3 S+ 0 0 44 -2,-0.9 -74,-0.2 1,-0.3 -73,-0.1 0.224 80.2 136.9 134.4 -12.7 -3.9 79.4 18.2 170 356 A V < - 0 0 17 -3,-2.1 -1,-0.3 -75,-0.2 3,-0.2 -0.406 25.8-178.6 -66.7 138.3 -5.8 76.1 18.6 171 357 A L S S+ 0 0 108 1,-0.1 2,-1.3 -82,-0.1 3,-0.3 0.828 79.8 49.6-101.7 -53.5 -8.8 76.3 21.0 172 358 A Q > + 0 0 90 1,-0.2 4,-2.8 2,-0.1 3,-0.4 -0.246 67.7 146.8 -82.3 47.6 -10.1 72.7 21.0 173 359 A H H > + 0 0 110 -2,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.667 68.6 58.0 -59.7 -16.0 -6.6 71.5 21.7 174 360 A R H > S+ 0 0 129 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.913 110.5 40.4 -79.6 -45.4 -8.2 68.7 23.8 175 361 A V H > S+ 0 0 50 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.932 115.8 50.3 -67.0 -47.5 -10.3 67.4 20.8 176 362 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.856 109.4 54.0 -60.0 -34.1 -7.4 67.9 18.4 177 363 A D H X S+ 0 0 57 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.887 107.8 47.5 -69.1 -40.2 -5.2 66.0 20.8 178 364 A Q H X S+ 0 0 98 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.873 113.4 49.7 -68.7 -35.3 -7.5 63.0 21.0 179 365 A L H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 107.1 52.7 -66.5 -49.4 -7.8 62.9 17.2 180 366 A Q H X S+ 0 0 41 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.851 109.9 50.8 -56.1 -35.8 -4.0 63.1 16.6 181 367 A E H X S+ 0 0 113 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.895 106.8 51.9 -71.0 -40.3 -3.7 60.1 19.0 182 368 A Q H X S+ 0 0 72 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.849 112.1 48.7 -63.5 -32.7 -6.3 58.0 17.1 183 369 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.893 111.4 48.2 -72.7 -41.6 -4.3 58.8 13.9 184 370 A A H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 112.7 49.0 -63.5 -44.2 -1.0 57.8 15.5 185 371 A I H X S+ 0 0 78 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.913 109.2 51.6 -62.2 -45.9 -2.5 54.6 16.8 186 372 A T H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.913 111.3 48.7 -58.7 -43.2 -4.0 53.7 13.4 187 373 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.919 112.6 47.7 -62.8 -44.0 -0.6 54.2 11.8 188 374 A K H X S+ 0 0 91 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 115.1 44.9 -64.1 -42.0 1.1 52.1 14.4 189 375 A S H X S+ 0 0 27 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.912 111.0 53.5 -68.1 -43.9 -1.5 49.3 14.0 190 376 A Y H X S+ 0 0 15 -4,-3.1 4,-0.9 -5,-0.2 3,-0.3 0.882 111.0 47.6 -57.1 -40.8 -1.4 49.5 10.2 191 377 A I H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 3,-0.4 0.895 110.6 48.9 -69.2 -42.9 2.4 49.1 10.3 192 378 A E H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.620 116.7 45.2 -73.2 -11.4 2.4 46.1 12.7 193 379 A C H < S+ 0 0 79 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.555 125.1 26.6-107.4 -11.6 -0.3 44.5 10.6 194 380 A N H < S+ 0 0 76 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.2 0.522 117.5 51.7-126.8 -13.1 1.2 45.0 7.1 195 381 A R < + 0 0 16 -4,-2.2 8,-0.1 -5,-0.2 -1,-0.1 -0.626 49.5 150.5-132.4 77.4 5.0 45.3 7.6 196 382 A P + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.590 36.0 122.7 -80.3 -13.1 6.4 42.4 9.6 197 383 A Q S > S- 0 0 90 1,-0.1 3,-2.0 3,-0.1 -2,-0.0 -0.205 72.3-124.3 -54.3 136.1 9.8 42.5 7.8 198 384 A P G > S+ 0 0 110 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.719 112.3 62.2 -54.8 -21.0 12.8 43.0 10.3 199 385 A A G 3 S+ 0 0 75 1,-0.2 -2,-0.1 3,-0.0 -4,-0.0 0.776 97.6 56.1 -76.3 -26.4 13.7 46.1 8.2 200 386 A H G X S+ 0 0 46 -3,-2.0 3,-1.3 2,-0.1 2,-0.3 0.097 78.5 128.6 -92.6 20.0 10.4 47.7 9.1 201 387 A R T < S+ 0 0 153 -3,-0.9 -4,-0.0 1,-0.3 -9,-0.0 -0.621 80.4 8.6 -78.1 135.0 11.1 47.3 12.8 202 388 A F T 3> S+ 0 0 130 -2,-0.3 4,-2.0 3,-0.1 -1,-0.3 0.642 88.4 136.2 69.7 14.5 10.7 50.6 14.7 203 389 A L H <> + 0 0 7 -3,-1.3 4,-2.3 1,-0.2 3,-0.3 0.954 67.6 52.8 -57.4 -50.6 9.2 52.1 11.5 204 390 A F H > S+ 0 0 34 -4,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.890 111.3 46.1 -51.6 -46.0 6.3 53.8 13.4 205 391 A L H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.830 109.5 54.8 -69.4 -30.2 8.8 55.5 15.7 206 392 A K H X S+ 0 0 101 -4,-2.0 4,-1.9 -3,-0.3 -2,-0.2 0.876 108.8 49.2 -69.1 -35.6 11.0 56.5 12.8 207 393 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 109.0 51.5 -68.9 -41.6 8.0 58.2 11.2 208 394 A M H X S+ 0 0 54 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.818 109.2 50.9 -66.4 -29.8 7.2 60.0 14.4 209 395 A A H X S+ 0 0 61 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.907 107.6 53.0 -73.2 -40.7 10.8 61.3 14.7 210 396 A M H X S+ 0 0 11 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.868 106.9 52.5 -59.9 -39.8 10.6 62.6 11.0 211 397 A L H X S+ 0 0 14 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.839 108.2 50.5 -66.4 -32.6 7.4 64.5 11.9 212 398 A T H X S+ 0 0 102 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.845 111.8 48.6 -70.8 -34.3 9.3 66.1 14.8 213 399 A E H X S+ 0 0 70 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.889 109.8 51.2 -69.1 -43.0 12.1 67.0 12.4 214 400 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.877 107.2 53.2 -62.7 -37.9 9.5 68.4 10.0 215 401 A R H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.848 112.6 45.6 -63.4 -35.7 8.1 70.5 12.8 216 402 A S H X S+ 0 0 70 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.920 114.3 46.4 -73.3 -47.7 11.6 71.8 13.4 217 403 A I H X S+ 0 0 7 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.893 112.8 52.1 -61.7 -40.9 12.3 72.4 9.7 218 404 A N H X S+ 0 0 18 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.935 109.8 46.3 -61.0 -50.6 8.9 74.1 9.4 219 405 A A H X S+ 0 0 48 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.756 114.8 50.0 -64.3 -24.4 9.4 76.5 12.3 220 406 A Q H X S+ 0 0 71 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.837 108.7 51.5 -82.1 -36.1 12.9 77.2 10.8 221 407 A H H X S+ 0 0 49 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.930 102.7 58.4 -65.6 -49.3 11.5 77.9 7.3 222 408 A T H X S+ 0 0 41 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.906 107.2 47.8 -47.2 -51.3 8.9 80.4 8.4 223 409 A Q H X S+ 0 0 115 -4,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.931 113.9 46.6 -57.9 -48.7 11.5 82.6 10.0 224 410 A R H X S+ 0 0 69 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.868 111.9 50.7 -62.8 -38.8 13.7 82.5 6.9 225 411 A L H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.869 109.1 51.1 -67.9 -37.5 10.7 83.1 4.6 226 412 A L H X S+ 0 0 67 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.785 105.5 57.1 -70.7 -26.1 9.7 86.2 6.6 227 413 A R H X S+ 0 0 140 -4,-1.4 4,-0.6 -5,-0.2 -1,-0.2 0.847 110.4 43.7 -71.5 -33.9 13.3 87.4 6.3 228 414 A I H >X S+ 0 0 58 -4,-1.3 4,-3.2 2,-0.2 3,-1.0 0.906 110.3 53.7 -75.3 -43.6 13.0 87.3 2.5 229 415 A Q H 3< S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.711 104.7 59.1 -62.6 -20.4 9.5 88.9 2.5 230 416 A D H 3< S+ 0 0 139 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.778 119.5 25.8 -79.0 -29.1 11.1 91.6 4.6 231 417 A I H << S+ 0 0 133 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.872 137.5 18.0 -98.5 -57.6 13.6 92.4 1.8 232 418 A H S < S- 0 0 74 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 -0.833 78.9-141.9-122.7 93.1 12.0 91.3 -1.5 233 419 A P + 0 0 95 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.269 44.0 140.6 -54.2 132.3 8.2 90.8 -1.2 234 420 A F + 0 0 31 2,-0.1 -5,-0.0 -173,-0.1 -169,-0.0 0.407 25.8 123.8-145.4 -27.1 7.0 87.8 -3.2 235 421 A A - 0 0 10 4,-0.1 -170,-0.0 1,-0.1 -174,-0.0 -0.125 54.5-135.2 -49.9 132.9 4.3 86.2 -1.0 236 422 A T > - 0 0 19 -171,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.366 32.2 -95.3 -83.4 167.9 1.0 85.8 -2.7 237 423 A P H > S+ 0 0 101 0, 0.0 4,-1.6 0, 0.0 8,-0.2 0.884 128.3 48.0 -51.3 -41.6 -2.3 86.7 -1.0 238 424 A L H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.886 109.3 51.5 -67.8 -41.2 -2.7 83.0 0.1 239 425 A M H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.739 110.0 52.1 -67.3 -21.7 0.9 82.8 1.3 240 426 A Q H X>S+ 0 0 63 -4,-1.6 5,-1.7 2,-0.2 4,-0.8 0.831 104.7 53.6 -81.7 -35.3 0.2 85.9 3.4 241 427 A E H <5S+ 0 0 149 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.830 116.4 41.1 -66.7 -31.9 -3.0 84.4 4.9 242 428 A L H <5S+ 0 0 20 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.898 122.6 34.9 -83.5 -46.7 -0.9 81.5 6.0 243 429 A F H <5S- 0 0 31 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.361 110.6-116.7 -91.4 6.6 2.3 83.1 7.2 244 430 A G T <5 0 0 53 -4,-0.8 -3,-0.2 1,-0.1 -4,-0.1 0.990 360.0 360.0 56.8 75.8 0.5 86.2 8.5 245 431 A I < 0 0 84 -5,-1.7 -1,-0.1 -8,-0.2 -5,-0.0 -0.776 360.0 360.0-133.1 360.0 1.8 89.0 6.3