==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 17-JUN-02 1M13 . COMPND 2 MOLECULE: ORPHAN NUCLEAR RECEPTOR PXR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.E.WATKINS,J.M.MAGLICH,L.B.MOORE,G.B.WISELY,S.M.NOBLE, . 273 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 74.0 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 7.0 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 1 0 0 0 1 1 0 0 0 0 1 0 0 0 1 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 1 142 A G 0 0 99 0, 0.0 2,-0.5 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0 150.7 -5.5 43.5 13.2 2 143 A L - 0 0 46 214,-0.1 210,-0.0 1,-0.1 214,-0.0 -0.771 360.0-132.7 -92.1 128.0 -7.1 46.8 12.1 3 144 A T > - 0 0 73 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.159 25.7-107.6 -69.3 171.7 -10.5 47.6 13.8 4 145 A E H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 121.3 54.7 -68.3 -38.4 -13.4 48.8 11.6 5 146 A E H > S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.876 109.3 47.3 -61.8 -39.3 -13.0 52.3 13.0 6 147 A Q H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 110.7 51.0 -70.2 -41.6 -9.3 52.3 11.9 7 148 A R H X S+ 0 0 148 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.891 111.7 47.4 -63.2 -40.4 -10.1 51.0 8.4 8 149 A M H X S+ 0 0 104 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.833 109.8 55.4 -69.9 -31.2 -12.8 53.6 7.9 9 150 A M H X S+ 0 0 8 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.949 109.9 43.6 -65.8 -49.0 -10.3 56.2 9.2 10 151 A I H X S+ 0 0 15 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.904 112.5 54.4 -63.4 -39.9 -7.7 55.3 6.6 11 152 A R H X S+ 0 0 192 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.907 108.0 48.1 -60.4 -46.4 -10.3 55.1 3.8 12 153 A E H X S+ 0 0 47 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.862 114.3 47.8 -62.7 -36.5 -11.6 58.6 4.6 13 154 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 113.7 45.7 -70.1 -45.8 -8.0 59.9 4.5 14 155 A M H X S+ 0 0 52 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.881 112.2 52.2 -65.3 -38.3 -7.2 58.0 1.3 15 156 A D H X S+ 0 0 59 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.928 110.1 48.3 -63.1 -45.8 -10.4 59.3 -0.3 16 157 A A H X S+ 0 0 2 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.898 112.2 50.5 -61.2 -40.0 -9.5 62.9 0.7 17 158 A Q H X S+ 0 0 10 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.943 110.3 46.6 -65.0 -49.5 -6.0 62.4 -0.8 18 159 A M H < S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.6 50.2 -62.9 -33.1 -7.1 61.0 -4.2 19 160 A K H < S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.756 123.3 28.4 -76.9 -24.1 -9.7 63.7 -4.6 20 161 A T H < S+ 0 0 21 -4,-1.3 2,-0.7 -3,-0.4 77,-0.2 0.379 98.1 84.0-121.4 3.7 -7.3 66.6 -3.8 21 162 A F < - 0 0 18 -4,-1.6 2,-1.7 -5,-0.1 -1,-0.1 -0.873 55.4-164.3-113.4 98.8 -3.8 65.5 -4.8 22 163 A D > - 0 0 34 -2,-0.7 3,-1.7 1,-0.2 5,-0.1 -0.661 10.1-174.7 -79.1 87.9 -3.3 66.2 -8.5 23 164 A T T 3 S+ 0 0 81 -2,-1.7 119,-0.4 1,-0.3 -1,-0.2 0.653 80.5 48.8 -63.6 -18.0 -0.2 64.0 -8.8 24 165 A T T 3 S- 0 0 78 117,-0.1 119,-0.5 -3,-0.1 -1,-0.3 0.382 99.7-135.0-101.0 0.1 0.4 64.9 -12.4 25 166 A F X + 0 0 10 -3,-1.7 3,-2.0 117,-0.2 -2,-0.1 0.747 52.7 150.8 52.4 24.8 0.1 68.7 -11.7 26 167 A S T 3 + 0 0 76 1,-0.3 -1,-0.1 116,-0.0 -3,-0.0 0.706 67.4 51.3 -60.0 -21.9 -2.1 68.8 -14.8 27 168 A H T 3 S+ 0 0 143 -5,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.323 83.7 101.7 -99.8 7.9 -4.1 71.7 -13.4 28 169 A F < + 0 0 19 -3,-2.0 2,-0.3 -4,-0.1 3,-0.1 -0.827 52.8 122.3 -94.4 106.5 -1.0 73.8 -12.5 29 170 A K + 0 0 74 -2,-0.8 3,-0.1 1,-0.1 -2,-0.0 -0.910 37.1 56.6-153.0 178.1 -0.7 76.5 -15.2 30 171 A N S S+ 0 0 161 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.704 76.2 152.9 64.7 18.3 -0.5 80.2 -15.9 31 172 A F - 0 0 41 1,-0.1 -1,-0.2 -3,-0.1 51,-0.1 -0.470 47.1-106.9 -80.8 153.1 2.4 80.2 -13.5 32 173 A R - 0 0 113 49,-0.3 -1,-0.1 -2,-0.1 53,-0.1 -0.401 31.4-161.1 -77.8 153.4 5.2 82.8 -13.7 33 174 A L - 0 0 85 -2,-0.1 3,-0.1 49,-0.1 46,-0.1 -0.960 32.7 -83.3-134.4 151.8 8.7 81.9 -14.9 34 175 A P - 0 0 18 0, 0.0 45,-0.1 0, 0.0 44,-0.1 -0.264 63.0 -86.0 -56.8 136.8 12.1 83.6 -14.5 35 176 A G 0 0 68 43,-0.2 43,-0.0 1,-0.1 -3,-0.0 0.069 360.0 360.0 -42.0 148.9 12.7 86.4 -17.0 36 177 A V 0 0 159 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.533 360.0 360.0 -72.9 360.0 14.2 85.6 -20.4 37 ! 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 38 198 A K >> 0 0 127 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-110.2 22.6 94.4 6.1 39 199 A W H 3> + 0 0 56 1,-0.2 4,-2.0 2,-0.2 218,-0.1 0.575 360.0 74.3 -74.3 -8.3 19.6 92.1 6.1 40 200 A S H 3> S+ 0 0 66 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.901 85.8 58.7 -70.4 -43.2 20.8 91.0 2.7 41 201 A Q H X4 S+ 0 0 79 -3,-0.6 3,-0.8 1,-0.2 -1,-0.2 0.891 110.0 45.3 -52.9 -40.5 23.6 88.9 4.2 42 202 A V H >< S+ 0 0 45 -4,-0.6 3,-0.8 1,-0.2 -1,-0.2 0.930 100.9 65.9 -68.0 -45.7 20.9 87.0 6.1 43 203 A R H >< S+ 0 0 5 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.605 74.6 94.5 -52.4 -10.4 18.8 86.8 2.9 44 204 A K G X< + 0 0 43 -3,-0.8 3,-1.4 -4,-0.6 4,-0.3 0.283 49.3 106.9 -68.3 14.6 21.7 84.6 1.7 45 205 A D G X + 0 0 33 -3,-0.8 3,-1.0 1,-0.3 -1,-0.3 0.798 63.7 70.4 -62.2 -30.7 19.5 81.7 2.9 46 206 A L G X S+ 0 0 25 -3,-1.3 3,-2.0 1,-0.2 -1,-0.3 0.736 76.7 84.6 -59.1 -23.7 18.8 80.9 -0.8 47 207 A C G < S+ 0 0 76 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.893 81.2 58.2 -44.6 -52.7 22.4 79.8 -1.1 48 208 A S G < S+ 0 0 51 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.3 0.205 100.0 81.1 -67.4 19.5 21.6 76.3 0.2 49 209 A L < + 0 0 92 -3,-2.0 2,-0.2 99,-0.0 99,-0.0 -0.995 45.0 153.1-132.4 132.7 19.1 76.1 -2.7 50 210 A K + 0 0 76 -2,-0.4 99,-2.7 2,-0.1 2,-0.4 -0.735 10.6 156.7-161.2 105.2 19.9 75.3 -6.3 51 211 A V E -A 148 0A 22 97,-0.3 97,-0.2 -2,-0.2 2,-0.2 -0.994 27.3-148.2-137.9 130.0 17.4 73.7 -8.7 52 212 A S E -A 147 0A 13 95,-2.5 95,-1.3 -2,-0.4 2,-0.4 -0.519 21.8-136.6 -86.4 163.1 17.2 73.8 -12.4 53 213 A L E -AB 146 65A 4 12,-2.1 12,-3.7 93,-0.2 2,-0.4 -0.989 17.3-171.9-128.6 131.6 13.7 73.7 -14.0 54 214 A Q E -AB 145 64A 60 91,-2.0 91,-1.7 -2,-0.4 2,-0.5 -0.986 3.1-168.1-124.3 131.9 12.5 71.7 -16.9 55 215 A L E -AB 144 63A 25 8,-3.2 8,-2.6 -2,-0.4 2,-0.7 -0.968 8.5-155.9-120.8 116.0 9.1 72.1 -18.6 56 216 A R E - B 0 62A 74 87,-2.7 6,-0.2 -2,-0.5 5,-0.1 -0.819 17.7-135.8 -94.6 116.4 8.0 69.4 -21.1 57 217 A G > - 0 0 22 4,-3.0 3,-2.2 -2,-0.7 -1,-0.0 -0.360 17.4-120.7 -70.3 149.3 5.5 70.6 -23.6 58 218 A E T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.329 115.6 57.8 -70.0 9.9 2.5 68.5 -24.5 59 219 A D T 3 S- 0 0 127 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.383 126.1 -96.4-117.1 -5.2 3.9 68.7 -28.0 60 220 A G S < S+ 0 0 64 -3,-2.2 -2,-0.1 1,-0.4 2,-0.1 0.259 82.0 129.8 107.0 -11.9 7.3 67.2 -27.2 61 221 A S - 0 0 52 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.349 43.8-148.6 -74.0 158.2 9.3 70.4 -26.8 62 222 A V E -B 56 0A 83 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.970 10.8-168.0-136.7 122.0 11.4 70.9 -23.8 63 223 A W E -B 55 0A 198 -8,-2.6 -8,-3.2 -2,-0.4 2,-0.4 -0.903 12.7-172.0-104.7 132.3 12.3 74.2 -22.0 64 224 A N E -B 54 0A 89 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.992 4.9-162.6-130.2 132.0 15.1 74.0 -19.4 65 225 A Y E -B 53 0A 54 -12,-3.7 -12,-2.1 -2,-0.4 -2,-0.0 -0.930 4.9-168.3-117.4 136.4 16.2 76.7 -17.0 66 226 A K - 0 0 77 -2,-0.4 -14,-0.1 -14,-0.2 -2,-0.0 -0.989 25.8-126.4-122.7 121.1 19.5 77.0 -15.1 67 227 A P - 0 0 28 0, 0.0 9,-0.1 0, 0.0 -15,-0.0 -0.154 22.9-115.8 -63.4 158.5 19.7 79.6 -12.3 68 228 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.168 30.8 -99.5 -77.4-160.3 22.4 82.3 -12.1 69 229 A A - 0 0 71 2,-0.1 2,-0.5 0, 0.0 7,-0.1 -0.909 39.6 -92.5-125.2 153.2 25.1 82.7 -9.4 70 230 A D + 0 0 103 -2,-0.3 5,-0.0 1,-0.1 -26,-0.0 -0.538 64.8 140.5 -67.8 119.1 25.1 85.1 -6.5 71 231 A S S S- 0 0 89 -2,-0.5 2,-0.5 2,-0.3 4,-0.1 -0.324 70.2 -29.4-161.1 67.7 26.9 88.2 -7.7 72 232 A G S S- 0 0 71 2,-0.1 2,-0.1 1,-0.0 -2,-0.1 -0.908 97.0 -48.6 129.0-107.1 25.4 91.5 -6.5 73 233 A G S > S+ 0 0 46 -2,-0.5 3,-1.4 -3,-0.0 -2,-0.3 -0.168 103.9 25.5-135.4-131.1 21.7 91.8 -5.8 74 234 A K G > S+ 0 0 73 1,-0.3 3,-2.6 2,-0.1 4,-0.2 0.529 92.8 89.3 -3.0 -75.8 18.3 91.0 -7.3 75 235 A E G > S+ 0 0 43 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.517 80.6 60.2 -2.1 -59.3 19.5 88.1 -9.5 76 236 A I G < S+ 0 0 35 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.527 97.4 61.6 -66.5 3.1 18.9 85.5 -6.7 77 237 A F G X S+ 0 0 30 -3,-2.6 3,-0.9 1,-0.1 -1,-0.3 0.296 70.7 102.5-106.5 6.6 15.2 86.4 -6.6 78 238 A S T < S+ 0 0 38 -3,-2.1 4,-0.3 1,-0.2 -43,-0.2 0.739 84.0 44.2 -63.4 -24.7 14.4 85.4 -10.2 79 239 A L T 3> S+ 0 0 24 -3,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.511 88.6 89.4 -99.6 -5.7 12.8 82.1 -9.2 80 240 A L H <> S+ 0 0 23 -3,-0.9 4,-2.8 1,-0.2 5,-0.2 0.915 84.1 52.4 -59.0 -48.9 10.7 83.4 -6.4 81 241 A P H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 -49,-0.3 0.940 112.8 45.5 -54.7 -48.2 7.6 84.3 -8.4 82 242 A H H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.928 114.7 46.8 -59.6 -49.3 7.5 80.8 -10.0 83 243 A M H X S+ 0 0 53 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.847 108.5 55.8 -63.7 -33.9 8.0 79.1 -6.6 84 244 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.908 109.3 48.2 -63.8 -39.9 5.4 81.3 -5.0 85 245 A D H X S+ 0 0 29 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.880 112.3 47.1 -67.9 -38.9 3.0 80.1 -7.7 86 246 A M H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.931 112.6 50.6 -66.7 -44.8 4.0 76.4 -7.1 87 247 A S H X S+ 0 0 37 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.919 110.6 49.4 -55.8 -48.0 3.6 76.9 -3.4 88 248 A T H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 109.4 50.7 -60.7 -44.5 0.2 78.4 -3.8 89 249 A Y H X S+ 0 0 45 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.932 113.8 45.8 -60.0 -46.0 -1.0 75.6 -6.1 90 250 A M H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.911 110.1 53.3 -63.0 -44.7 0.2 73.0 -3.5 91 251 A F H X S+ 0 0 9 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.880 105.7 54.1 -59.0 -40.7 -1.4 74.9 -0.6 92 252 A K H X S+ 0 0 120 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.912 108.9 48.8 -60.1 -43.3 -4.8 75.0 -2.3 93 253 A G H X S+ 0 0 15 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.858 112.4 48.8 -65.1 -35.0 -4.6 71.2 -2.7 94 254 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.881 110.0 50.1 -71.8 -40.2 -3.7 70.9 1.0 95 255 A I H X S+ 0 0 31 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.928 111.4 49.9 -64.1 -41.6 -6.5 73.2 2.1 96 256 A S H X S+ 0 0 57 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.887 107.3 55.3 -62.6 -41.2 -8.9 71.1 -0.0 97 257 A F H >X S+ 0 0 0 -4,-1.8 4,-0.7 -77,-0.2 3,-0.6 0.963 110.1 44.5 -54.7 -57.3 -7.5 67.9 1.6 98 258 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.902 109.9 55.6 -55.4 -47.8 -8.3 69.1 5.1 99 259 A K H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 103.6 53.5 -60.2 -31.1 -11.8 70.4 4.2 100 260 A V H << S+ 0 0 54 -4,-1.5 2,-0.5 -3,-0.6 -1,-0.2 0.634 89.2 93.9 -81.0 -12.1 -13.0 67.1 2.8 101 261 A I XX - 0 0 0 -3,-1.2 4,-2.6 -4,-0.7 3,-0.8 -0.699 69.1-147.9 -84.3 124.5 -12.1 65.2 6.0 102 262 A S H 3> S+ 0 0 29 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.891 96.8 58.2 -57.9 -43.9 -14.9 64.9 8.4 103 263 A Y H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.820 113.7 41.0 -57.4 -29.5 -12.7 65.0 11.5 104 264 A F H X4 S+ 0 0 0 -3,-0.8 3,-1.6 -6,-0.3 -2,-0.2 0.883 109.9 55.8 -84.5 -44.0 -11.5 68.4 10.3 105 265 A R H 3< S+ 0 0 129 -4,-2.6 -2,-0.2 -7,-0.3 -3,-0.2 0.797 102.5 59.2 -58.3 -30.2 -14.9 69.7 9.1 106 266 A D T 3< S+ 0 0 126 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.565 86.7 93.6 -78.5 -9.9 -16.3 69.1 12.6 107 267 A L S < S- 0 0 12 -3,-1.6 5,-0.1 -5,-0.2 -3,-0.0 -0.458 94.7 -83.9 -80.9 157.1 -13.8 71.4 14.3 108 268 A P >> - 0 0 43 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.291 40.2-116.5 -57.2 145.0 -14.6 75.1 15.0 109 269 A I H 3> S+ 0 0 88 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.821 116.0 56.1 -54.7 -31.3 -13.9 77.2 11.9 110 270 A E H 3> S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.879 107.3 47.1 -69.2 -38.8 -11.3 79.1 13.9 111 271 A D H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.835 105.9 58.5 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67.2 20.8 202 362 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.932 109.2 51.5 -59.0 -45.2 -7.4 67.8 18.4 203 363 A D H X S+ 0 0 56 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.918 111.7 46.3 -58.3 -45.2 -5.0 66.0 20.7 204 364 A Q H X S+ 0 0 80 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.882 112.0 50.9 -66.7 -38.4 -7.3 63.0 21.0 205 365 A L H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.929 109.0 51.7 -63.6 -44.1 -7.8 62.9 17.2 206 366 A Q H X S+ 0 0 40 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.903 107.6 52.0 -59.5 -42.7 -4.1 63.0 16.7 207 367 A E H X S+ 0 0 98 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.877 108.1 52.4 -62.6 -36.8 -3.6 60.0 19.0 208 368 A Q H X S+ 0 0 84 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.921 110.9 46.5 -65.1 -43.5 -6.2 58.1 17.1 209 369 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 114.0 48.5 -63.8 -42.3 -4.4 58.8 13.8 210 370 A A H X S+ 0 0 12 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.938 112.4 48.0 -63.2 -46.6 -1.1 57.8 15.4 211 371 A I H X S+ 0 0 78 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.904 110.7 52.1 -60.8 -40.9 -2.6 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7.7 222 382 A P + 0 0 103 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.577 37.3 120.1 -80.1 -11.8 6.6 42.3 9.6 223 383 A Q S > S- 0 0 88 1,-0.1 3,-2.2 3,-0.1 4,-0.1 -0.235 72.9-124.3 -59.6 141.6 10.0 42.6 7.9 224 384 A P G > S+ 0 0 111 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.759 111.4 65.0 -55.9 -25.2 13.0 43.2 10.2 225 385 A A G 3 S+ 0 0 73 1,-0.2 -2,-0.1 3,-0.0 -4,-0.0 0.743 98.9 53.3 -71.3 -21.7 13.8 46.2 8.1 226 386 A H G X S+ 0 0 40 -3,-2.2 3,-1.8 2,-0.1 4,-0.3 0.234 75.2 126.8 -99.1 12.9 10.5 47.8 9.3 227 387 A R T < S+ 0 0 159 -3,-1.2 -4,-0.0 1,-0.3 0, 0.0 -0.483 84.2 10.3 -68.2 141.0 11.1 47.4 13.0 228 388 A F T 3> S+ 0 0 131 -2,-0.1 4,-2.6 1,-0.1 -1,-0.3 0.621 87.8 133.8 65.9 12.4 10.7 50.7 14.8 229 389 A L H <> + 0 0 5 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.946 69.4 53.5 -58.9 -46.6 9.2 52.2 11.6 230 390 A F H > S+ 0 0 38 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.902 112.3 44.4 -53.9 -43.6 6.4 53.8 13.5 231 391 A L H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 110.7 54.0 -70.5 -38.0 8.9 55.5 15.8 232 392 A K H X S+ 0 0 95 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.900 109.2 49.6 -60.6 -41.7 11.1 56.5 12.9 233 393 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.893 109.9 49.3 -64.1 -42.6 8.1 58.2 11.2 234 394 A M H X S+ 0 0 52 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.900 110.0 51.3 -65.6 -39.6 7.1 60.1 14.4 235 395 A A H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.877 109.2 52.0 -63.3 -37.0 10.7 61.3 14.8 236 396 A M H X S+ 0 0 15 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.903 108.4 50.1 -65.5 -41.0 10.6 62.5 11.2 237 397 A L H X S+ 0 0 15 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.881 109.8 50.6 -65.2 -36.9 7.3 64.4 11.8 238 398 A T H X S+ 0 0 102 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.934 112.3 48.0 -64.7 -43.5 9.0 66.0 14.9 239 399 A E H X S+ 0 0 84 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.874 108.5 53.7 -63.5 -40.1 11.9 67.0 12.6 240 400 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.859 105.5 53.9 -64.3 -35.8 9.6 68.3 9.9 241 401 A R H X S+ 0 0 74 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.904 109.7 47.7 -64.2 -41.9 7.9 70.6 12.5 242 402 A S H X S+ 0 0 65 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.923 111.9 49.0 -64.7 -44.8 11.3 72.0 13.4 243 403 A I H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.867 107.6 57.6 -61.8 -35.9 12.2 72.5 9.7 244 404 A N H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.924 105.3 48.4 -61.1 -47.7 8.8 74.2 9.3 245 405 A A H X S+ 0 0 56 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.909 113.8 46.9 -61.2 -43.0 9.6 76.8 12.0 246 406 A Q H X S+ 0 0 123 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.897 112.5 47.6 -67.5 -41.9 13.0 77.6 10.5 247 407 A H H X S+ 0 0 34 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.823 108.3 55.9 -70.4 -28.5 11.8 77.8 6.9 248 408 A T H X S+ 0 0 32 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.935 109.2 46.7 -66.7 -45.9 9.0 80.1 7.9 249 409 A Q H X S+ 0 0 105 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.890 112.2 51.3 -62.5 -35.9 11.5 82.5 9.5 250 410 A R H X S+ 0 0 46 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.935 111.7 47.0 -66.3 -44.7 13.6 82.2 6.4 251 411 A L H X S+ 0 0 28 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 110.1 51.7 -64.2 -44.8 10.6 83.1 4.2 252 412 A L H X S+ 0 0 56 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.889 108.3 52.0 -61.6 -38.6 9.4 86.0 6.3 253 413 A R H X S+ 0 0 89 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.904 112.7 44.4 -64.7 -41.2 12.9 87.6 6.2 254 414 A I H X S+ 0 0 12 -4,-1.7 4,-3.6 1,-0.2 -2,-0.2 0.886 112.3 53.4 -68.6 -39.3 13.0 87.4 2.4 255 415 A Q H < S+ 0 0 28 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 104.8 55.6 -62.7 -37.6 9.5 88.6 2.2 256 416 A D H < S+ 0 0 141 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.882 119.4 30.8 -64.5 -39.1 10.4 91.7 4.3 257 417 A I H < S+ 0 0 75 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.842 138.0 18.3 -87.5 -40.2 13.2 92.7 2.0 258 418 A H S < S- 0 0 66 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 -0.745 81.4-143.9-138.7 88.8 11.7 91.4 -1.3 259 419 A P + 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.169 44.3 135.2 -53.2 138.9 8.0 90.8 -1.3 260 420 A F + 0 0 32 2,-0.1 2,-0.1 -180,-0.1 -5,-0.1 0.320 26.8 124.3-159.5 -18.7 6.8 87.8 -3.4 261 421 A A - 0 0 7 -10,-0.1 -176,-0.0 4,-0.1 -177,-0.0 -0.348 57.6-129.8 -59.2 129.3 4.3 85.9 -1.2 262 422 A T > - 0 0 15 -178,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.236 29.8 -97.1 -72.6 168.5 0.9 85.5 -2.9 263 423 A P H > S+ 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.908 126.4 48.9 -54.7 -42.8 -2.3 86.5 -1.2 264 424 A L H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 112.7 46.8 -64.5 -43.0 -2.9 82.9 -0.1 265 425 A M H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.892 111.1 53.3 -64.4 -38.7 0.6 82.5 1.2 266 426 A Q H X>S+ 0 0 55 -4,-3.0 5,-2.5 2,-0.2 4,-0.7 0.938 110.0 47.7 -60.0 -46.6 0.1 85.9 3.0 267 427 A E H ><5S+ 0 0 132 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.947 113.5 46.9 -57.6 -52.7 -3.0 84.5 4.6 268 428 A L H 3<5S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 115.6 45.3 -62.1 -31.3 -1.4 81.3 5.7 269 429 A F H 3<5S- 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.439 115.7-111.2 -93.7 -0.2 1.7 83.1 7.0 270 430 A G T <<5 + 0 0 41 -3,-1.1 2,-0.5 -4,-0.7 -3,-0.2 0.629 59.6 156.5 83.6 13.4 -0.3 85.8 8.9 271 431 A I < - 0 0 43 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.638 25.3-164.7 -77.3 120.7 0.7 88.7 6.7 272 432 A T - 0 0 114 -2,-0.5 -1,-0.1 2,-0.2 -5,-0.0 0.739 32.9-119.8 -78.9 -26.8 -2.1 91.4 7.0 273 433 A G 0 0 64 1,-0.3 -2,-0.1 -7,-0.1 -1,-0.0 0.347 360.0 360.0 100.4 -5.3 -1.2 93.6 4.1 274 434 A S 0 0 151 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.886 360.0 360.0-104.0 360.0 -0.6 96.7 6.3