==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 21-NOV-03 1RKH . COMPND 2 MOLECULE: VITAMIN D3 RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.L.VANHOOKE,M.M.BENNING,C.B.BAUER,J.W.PIKE,H.F DELUCA . 253 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 73.5 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 2 0 0 0 0 1 0 0 1 0 1 0 1 1 0 1 0 0 0 0 0 1 0 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 123 A K 0 0 125 0, 0.0 2,-0.4 0, 0.0 182,-0.1 0.000 360.0 360.0 360.0 167.6 32.6 1.1 18.1 2 124 A L - 0 0 22 1,-0.1 177,-0.1 180,-0.1 5,-0.0 -0.600 360.0-129.5 -76.5 128.5 36.3 0.2 18.4 3 125 A S > - 0 0 57 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.051 26.8-105.6 -64.5 174.4 37.3 -2.2 21.3 4 126 A E H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.887 121.4 52.7 -74.3 -35.3 40.1 -1.3 23.6 5 127 A E H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.926 109.1 50.5 -59.7 -45.7 42.5 -3.8 22.0 6 128 A Q H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 111.1 47.4 -62.2 -39.9 41.7 -2.3 18.6 7 129 A Q H X S+ 0 0 90 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.874 111.9 52.1 -66.6 -37.3 42.5 1.2 19.9 8 130 A H H X S+ 0 0 102 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.942 108.1 49.4 -59.6 -53.6 45.7 -0.2 21.5 9 131 A I H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.882 112.5 49.2 -55.5 -43.5 46.8 -1.8 18.2 10 132 A I H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.953 110.9 48.5 -63.2 -51.3 46.1 1.5 16.4 11 133 A A H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.896 112.5 49.9 -55.6 -42.7 48.1 3.6 18.9 12 134 A I H X S+ 0 0 46 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.922 112.5 45.8 -62.3 -43.0 51.0 1.0 18.7 13 135 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 111.5 52.1 -73.2 -40.0 51.2 1.2 14.9 14 136 A L H X S+ 0 0 28 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.921 114.0 43.3 -55.9 -50.1 50.9 5.0 14.7 15 137 A D H X S+ 0 0 72 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 111.5 54.1 -63.3 -45.7 53.8 5.3 17.2 16 138 A A H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.875 112.1 45.4 -56.6 -40.3 55.8 2.5 15.4 17 139 A H H >X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 3,-1.0 0.936 110.0 52.8 -68.5 -46.2 55.4 4.5 12.1 18 140 A H H 3< S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.1 49.0 -55.6 -36.6 56.3 7.9 13.7 19 141 A K H 3< S+ 0 0 135 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.642 120.7 34.7 -79.4 -17.2 59.5 6.2 15.1 20 142 A T H << S+ 0 0 12 -3,-1.0 2,-0.5 -4,-0.7 -2,-0.2 0.421 109.5 64.9-117.5 -4.4 60.5 4.7 11.7 21 143 A Y < - 0 0 15 -4,-2.1 -1,-0.2 -5,-0.1 33,-0.0 -0.899 61.5-167.5-125.4 105.5 59.3 7.4 9.3 22 144 A D > - 0 0 52 -2,-0.5 3,-1.7 1,-0.1 5,-0.1 -0.807 5.6-162.3 -90.3 105.9 61.1 10.7 9.5 23 145 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.562 88.3 60.4 -74.0 -6.3 59.0 13.2 7.4 24 146 A T T 3 S- 0 0 100 82,-0.0 -2,-0.0 -3,-0.0 81,-0.0 0.553 95.3-143.8 -88.9 -12.4 62.0 15.7 7.3 25 147 A Y X + 0 0 29 -3,-1.7 3,-2.1 1,-0.1 4,-0.2 0.766 41.8 157.3 59.9 29.4 64.1 13.0 5.5 26 148 A A G > + 0 0 65 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.736 61.6 63.3 -62.0 -28.0 67.1 14.3 7.4 27 149 A D G > S+ 0 0 55 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.589 76.5 88.8 -73.3 -12.5 69.0 11.0 7.0 28 150 A F G X S+ 0 0 10 -3,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.723 73.5 72.9 -59.9 -20.6 69.1 11.4 3.2 29 151 A R G < S+ 0 0 71 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.741 90.4 58.2 -61.1 -27.5 72.4 13.4 3.7 30 152 A D G < S+ 0 0 130 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.589 88.0 96.0 -81.7 -10.9 74.2 10.1 4.5 31 153 A F S < S- 0 0 21 -3,-1.2 15,-0.1 -4,-0.3 16,-0.1 -0.456 93.5 -89.6 -78.6 152.5 73.3 8.4 1.2 32 154 A R - 0 0 79 13,-0.4 -1,-0.1 -2,-0.1 17,-0.1 -0.381 63.8 -96.4 -51.7 134.5 75.6 8.4 -1.8 33 155 A P - 0 0 97 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.184 34.9-109.2 -63.6 150.9 74.7 11.5 -3.6 34 156 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.635 29.7-160.9 -72.7 136.3 72.2 11.5 -6.6 35 157 A V + 0 0 80 7,-0.8 2,-0.4 -2,-0.3 9,-0.1 -0.998 13.9 175.1-120.2 125.6 73.7 12.1 -10.0 36 158 A R 0 0 82 -2,-0.4 80,-0.0 1,-0.2 0, 0.0 -1.000 360.0 360.0-124.5 123.4 71.5 13.2 -12.9 37 159 A M 0 0 161 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.963 360.0 360.0 -73.3 360.0 73.6 13.9 -16.0 38 ! 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 39 218 A S 0 0 104 0, 0.0 80,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.6 73.2 4.6 -19.4 40 219 A P - 0 0 97 0, 0.0 79,-0.0 0, 0.0 0, 0.0 0.766 360.0-127.9 -64.7 -26.0 75.7 4.9 -16.6 41 220 A L > + 0 0 34 3,-0.1 3,-1.5 2,-0.0 78,-0.1 0.915 40.4 177.1 66.6 54.5 72.8 4.2 -14.2 42 221 A S T 3 + 0 0 19 1,-0.3 -7,-0.8 2,-0.1 4,-0.3 0.600 68.5 53.5 -70.2 -16.0 73.7 7.3 -12.3 43 222 A M T 3> S+ 0 0 0 76,-2.4 4,-2.5 73,-0.2 5,-0.3 0.455 83.9 90.7 -98.8 -5.5 70.9 7.1 -9.8 44 223 A L H <> S+ 0 0 9 -3,-1.5 4,-2.3 75,-0.9 5,-0.2 0.877 85.1 47.2 -61.0 -44.5 71.6 3.5 -8.7 45 224 A P H > S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 -13,-0.4 0.952 117.3 44.0 -62.1 -46.5 74.1 4.3 -5.7 46 225 A H H > S+ 0 0 0 -13,-0.3 4,-1.9 -4,-0.3 -2,-0.2 0.928 119.5 40.5 -61.6 -49.7 71.7 7.0 -4.3 47 226 A L H X S+ 0 0 23 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.842 110.2 58.3 -71.7 -34.8 68.5 4.9 -4.7 48 227 A A H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.913 111.0 44.1 -54.5 -46.9 70.2 1.7 -3.6 49 228 A D H X S+ 0 0 29 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.876 111.4 54.0 -65.0 -41.0 71.0 3.5 -0.3 50 229 A L H X S+ 0 0 25 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.922 113.4 41.3 -58.5 -48.1 67.6 5.0 -0.1 51 230 A V H X S+ 0 0 35 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.879 114.3 52.9 -65.6 -39.9 66.0 1.5 -0.4 52 231 A S H X S+ 0 0 10 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.942 111.2 45.4 -61.9 -52.2 68.6 -0.0 1.9 53 232 A Y H X S+ 0 0 33 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.903 112.1 53.9 -50.2 -47.3 67.8 2.6 4.6 54 233 A S H X S+ 0 0 11 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.816 103.4 55.5 -64.4 -33.8 64.1 2.0 3.9 55 234 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.929 106.0 51.3 -61.6 -45.7 64.4 -1.7 4.6 56 235 A Q H X S+ 0 0 90 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.904 112.9 45.7 -58.0 -41.8 65.9 -1.1 8.0 57 236 A K H X S+ 0 0 60 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.873 109.4 54.1 -70.1 -41.1 63.0 1.2 8.8 58 237 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 110.3 48.1 -57.2 -43.7 60.5 -1.3 7.5 59 238 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.914 108.9 53.3 -61.5 -47.4 62.1 -3.9 9.8 60 239 A G H X S+ 0 0 19 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.863 113.3 43.7 -54.4 -42.3 61.9 -1.5 12.8 61 240 A F H >< S+ 0 0 3 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.919 110.5 55.3 -69.3 -45.2 58.2 -1.0 12.1 62 241 A A H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.844 100.4 58.8 -57.8 -38.8 57.5 -4.7 11.6 63 242 A K H 3< S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 6,-0.2 0.773 104.2 52.7 -64.1 -28.2 59.0 -5.6 15.0 64 243 A M T << S+ 0 0 68 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.493 77.5 117.0 -87.8 -9.2 56.4 -3.4 16.7 65 244 A I S X S- 0 0 2 -3,-1.2 3,-2.5 -4,-0.5 4,-0.5 -0.483 80.0-106.7 -58.7 119.6 53.4 -5.0 15.0 66 245 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 110,-0.1 -0.288 105.5 15.0 -51.5 122.4 51.2 -6.6 17.8 67 246 A G T > S+ 0 0 8 -3,-0.0 3,-1.4 4,-0.0 4,-0.3 0.032 96.3 104.4 101.1 -22.8 51.7 -10.4 17.5 68 247 A F G X S+ 0 0 0 -3,-2.5 3,-1.2 1,-0.3 -4,-0.1 0.827 75.4 58.1 -58.9 -39.9 54.7 -10.2 15.2 69 248 A R G 3 S+ 0 0 204 -4,-0.5 -1,-0.3 1,-0.2 7,-0.1 0.626 94.6 66.3 -63.1 -19.4 57.1 -11.1 18.1 70 249 A D G < S+ 0 0 103 -3,-1.4 -1,-0.2 98,-0.1 -2,-0.2 0.531 86.3 90.8 -83.5 -6.9 55.1 -14.4 18.7 71 250 A L S < S- 0 0 10 -3,-1.2 -4,-0.0 -4,-0.3 2,-0.0 -0.500 89.9 -98.5 -80.4 156.4 56.3 -15.7 15.3 72 251 A T > - 0 0 83 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.349 31.7-114.8 -67.2 158.3 59.5 -17.7 14.9 73 252 A S H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.865 116.6 57.8 -63.6 -34.0 62.5 -15.8 13.7 74 253 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 109.5 42.9 -57.3 -48.8 62.4 -17.9 10.4 75 254 A D H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.879 110.3 56.1 -67.9 -39.9 58.8 -16.8 9.6 76 255 A Q H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.921 110.3 48.3 -52.4 -43.8 59.7 -13.2 10.7 77 256 A I H X S+ 0 0 16 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 110.9 47.7 -64.9 -45.1 62.5 -13.5 8.0 78 257 A V H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.926 112.7 49.2 -61.3 -49.2 60.2 -14.9 5.3 79 258 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.901 115.4 43.7 -60.5 -42.8 57.6 -12.2 5.8 80 259 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.902 111.1 52.6 -72.1 -42.3 60.2 -9.4 5.7 81 260 A K H < S+ 0 0 72 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.913 117.7 37.7 -58.0 -47.9 62.1 -10.8 2.7 82 261 A S H < S+ 0 0 24 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.807 123.4 40.0 -77.5 -27.8 58.9 -11.0 0.6 83 262 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 3,-0.3 0.711 87.7 88.5 -95.2 -20.0 57.1 -7.9 1.8 84 263 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.3 5,-0.2 0.852 90.7 46.5 -51.9 -50.7 59.9 -5.3 2.2 85 264 A I H > S+ 0 0 14 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.899 114.3 50.7 -57.2 -42.9 59.8 -4.0 -1.4 86 265 A E H > S+ 0 0 0 -4,-0.3 4,-2.3 -3,-0.3 -2,-0.2 0.906 110.6 46.2 -61.7 -46.5 55.9 -3.8 -1.1 87 266 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.760 110.2 55.3 -68.9 -27.0 56.0 -1.8 2.2 88 267 A I H X S+ 0 0 20 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.933 110.5 45.2 -69.7 -42.5 58.6 0.5 0.7 89 268 A M H < S+ 0 0 10 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.905 117.5 45.2 -64.2 -42.1 56.3 1.3 -2.2 90 269 A L H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.972 114.5 45.3 -64.8 -56.7 53.4 1.7 0.2 91 270 A R H >< S+ 0 0 15 -4,-3.0 3,-1.6 1,-0.3 4,-0.3 0.796 102.7 67.8 -59.1 -27.8 55.2 3.8 2.8 92 271 A S G >X S+ 0 0 21 -4,-1.9 4,-1.5 1,-0.3 3,-1.2 0.693 78.4 81.9 -66.8 -19.7 56.7 6.0 -0.1 93 272 A N G <4 S+ 0 0 15 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.758 80.0 67.1 -53.0 -26.2 53.1 7.2 -0.8 94 273 A Q G <4 S+ 0 0 73 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.878 108.6 35.4 -67.7 -35.8 53.7 9.7 2.0 95 274 A S T <4 S+ 0 0 11 -3,-1.2 9,-2.6 -4,-0.3 -1,-0.2 0.670 97.5 105.3 -86.4 -21.4 56.4 11.5 -0.0 96 275 A F E < -A 103 0A 3 -4,-1.5 2,-0.4 7,-0.3 7,-0.3 -0.337 51.3-168.1 -62.3 140.1 54.6 11.0 -3.3 97 276 A T E >> -A 102 0A 26 5,-2.9 5,-1.5 1,-0.1 4,-0.7 -0.996 24.7-152.8-134.2 137.0 52.8 14.0 -4.9 98 277 A M T 45S+ 0 0 70 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.691 83.0 87.7 -80.5 -16.8 50.3 14.2 -7.7 99 278 A D T 45S- 0 0 157 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.931 120.9 -3.8 -41.0 -55.3 51.3 17.8 -8.6 100 279 A D T 45S- 0 0 81 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.130 99.8-105.3-132.3 23.1 54.1 16.3 -10.8 101 280 A M T <5S+ 0 0 75 -4,-0.7 2,-0.3 1,-0.2 13,-0.2 0.900 81.6 117.1 59.9 45.0 53.9 12.5 -10.4 102 281 A S E S+ 0 0 145 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.870 120.6 54.7 -65.2 -35.7 65.3 19.3 -5.5 109 288 A D T 3 S+ 0 0 97 1,-0.3 2,-0.2 -4,-0.0 -1,-0.2 0.894 112.8 44.3 -60.3 -41.4 68.2 16.8 -4.9 110 289 A Y T 3 S+ 0 0 46 -5,-0.1 -5,-2.8 2,-0.1 2,-0.5 -0.362 85.8 107.2-105.6 46.1 65.8 14.4 -3.2 111 290 A K E < -B 104 0A 52 -3,-1.0 2,-0.6 -2,-0.2 -7,-0.2 -0.996 53.9-160.9-121.9 120.5 62.9 14.6 -5.6 112 291 A Y E +B 103 0A 7 -9,-2.6 -9,-2.4 -2,-0.5 2,-0.1 -0.907 11.9 177.0-118.1 123.4 62.6 11.4 -7.6 113 292 A D > - 0 0 65 -2,-0.6 4,-1.7 -11,-0.2 5,-0.2 -0.411 50.3 -80.1-110.2-173.2 60.7 11.3 -10.9 114 293 A V H > S+ 0 0 48 -13,-0.2 4,-1.5 1,-0.2 5,-0.1 0.857 128.4 49.2 -58.0 -36.5 60.1 8.6 -13.5 115 294 A T H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.815 104.2 57.4 -80.8 -31.8 63.5 9.2 -15.1 116 295 A D H 4 S+ 0 0 3 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 108.6 48.0 -56.6 -45.0 65.4 9.0 -11.8 117 296 A V H ><>S+ 0 0 22 -4,-1.7 3,-1.4 1,-0.2 5,-1.1 0.871 109.2 53.2 -64.8 -38.8 64.0 5.6 -11.3 118 297 A S H ><5S+ 0 0 50 -4,-1.5 3,-2.2 1,-0.3 4,-0.4 0.913 101.6 60.4 -55.8 -46.9 64.9 4.7 -14.9 119 298 A K T 3<5S+ 0 0 48 -4,-2.3 -76,-2.4 1,-0.3 -75,-0.9 0.271 97.1 62.2 -71.1 12.5 68.5 5.8 -14.1 120 299 A A T < 5S- 0 0 5 -3,-1.4 -1,-0.3 -77,-0.2 -2,-0.2 0.229 128.4 -89.4-113.6 10.2 68.5 3.1 -11.4 121 300 A G T < 5S+ 0 0 24 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.620 87.0 122.8 99.9 13.7 68.1 0.2 -13.9 122 301 A H < - 0 0 26 -5,-1.1 -1,-0.3 -4,-0.4 2,-0.2 -0.808 45.4-143.5-114.2 153.0 64.3 -0.1 -14.1 123 302 A T >> - 0 0 70 -2,-0.3 4,-2.9 1,-0.0 3,-1.9 -0.585 34.0-100.0-108.1 170.6 61.9 0.1 -17.0 124 303 A L H 3> S+ 0 0 102 1,-0.3 4,-2.1 2,-0.2 6,-0.2 0.712 113.3 79.1 -60.3 -20.7 58.4 1.5 -17.6 125 304 A E H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 88,-0.1 0.801 114.0 19.2 -57.4 -33.6 57.2 -2.1 -17.2 126 305 A L H <> S+ 0 0 6 -3,-1.9 4,-2.4 87,-0.1 -2,-0.2 0.759 124.2 56.8 -94.5 -46.3 57.6 -1.4 -13.5 127 306 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -3,-0.2 0.847 104.4 50.8 -64.2 -36.6 57.6 2.4 -13.3 128 307 A E H X S+ 0 0 95 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.945 115.3 40.6 -66.9 -52.4 54.2 3.0 -15.0 129 308 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.872 114.2 56.2 -62.6 -35.1 52.2 0.5 -12.8 130 309 A L H X S+ 0 0 15 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.952 110.5 42.8 -58.8 -50.1 54.2 1.8 -9.8 131 310 A I H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.917 113.6 52.2 -62.4 -44.7 53.1 5.4 -10.5 132 311 A K H X S+ 0 0 132 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.903 109.0 50.6 -57.2 -45.1 49.6 4.3 -11.2 133 312 A F H X S+ 0 0 6 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.966 108.8 52.1 -51.3 -55.2 49.6 2.5 -7.8 134 313 A Q H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.855 112.6 45.9 -53.7 -38.7 50.9 5.7 -6.1 135 314 A V H X S+ 0 0 26 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.937 112.4 47.4 -72.4 -50.0 48.0 7.6 -7.7 136 315 A G H < S+ 0 0 22 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.896 115.0 48.7 -57.8 -41.3 45.2 5.1 -6.9 137 316 A L H >< S+ 0 0 2 -4,-3.2 3,-1.5 -5,-0.2 5,-0.5 0.943 109.2 51.3 -65.2 -47.8 46.6 5.0 -3.3 138 317 A K H >< S+ 0 0 57 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.905 104.9 59.2 -48.3 -47.8 46.7 8.8 -3.0 139 318 A K T 3< S+ 0 0 142 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.560 91.6 65.7 -67.1 -14.0 43.1 9.0 -4.1 140 319 A L T < S- 0 0 25 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.666 92.2-149.7 -74.5 -19.3 41.9 6.8 -1.3 141 320 A N < - 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0 0 5 -2,-1.5 3,-1.4 -3,-0.3 13,-0.1 -0.944 38.6-155.2-113.1 116.1 50.5 -12.1 5.0 158 337 A P T 3 S+ 0 0 28 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.688 86.8 63.9 -65.8 -21.8 50.1 -16.0 5.4 159 338 A D T 3 S+ 0 0 102 3,-0.1 3,-0.1 2,-0.1 7,-0.0 0.406 70.3 127.4 -86.3 2.5 50.4 -16.9 1.7 160 339 A R S X S- 0 0 9 -3,-1.4 3,-1.7 1,-0.1 2,-0.1 -0.331 73.7 -99.2 -60.5 139.4 54.0 -15.7 1.5 161 340 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -79,-0.1 -0.414 107.9 25.7 -63.3 128.9 56.2 -18.4 -0.0 162 341 A G T 3 S+ 0 0 49 1,-0.3 2,-0.1 -2,-0.1 -84,-0.1 0.336 80.8 148.2 105.3 -5.5 58.1 -20.2 2.7 163 342 A V < - 0 0 25 -3,-1.7 -1,-0.3 -5,-0.1 3,-0.2 -0.436 22.0-178.0 -70.4 134.8 55.7 -19.6 5.6 164 343 A Q S S+ 0 0 155 1,-0.2 2,-1.8 -2,-0.1 3,-0.2 0.897 76.1 40.2 -91.2 -72.1 55.6 -22.4 8.2 165 344 A D > + 0 0 79 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.492 67.3 161.2 -84.3 67.6 53.0 -21.4 10.8 166 345 A A H > S+ 0 0 39 -2,-1.8 4,-2.4 -3,-0.2 -1,-0.2 0.808 70.0 58.5 -52.2 -37.1 50.5 -20.1 8.4 167 346 A K H > S+ 0 0 151 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 107.8 45.0 -66.0 -46.2 47.7 -20.4 10.9 168 347 A L H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.895 113.4 49.6 -66.3 -41.3 49.4 -18.2 13.4 169 348 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.888 111.9 50.4 -61.0 -38.5 50.3 -15.6 10.7 170 349 A E H X S+ 0 0 81 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.914 108.7 50.5 -66.3 -44.5 46.6 -15.7 9.6 171 350 A A H X S+ 0 0 53 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.875 111.1 49.4 -60.1 -40.4 45.4 -15.1 13.1 172 351 A I H X S+ 0 0 4 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.932 113.9 45.8 -67.0 -41.6 47.7 -12.2 13.5 173 352 A Q H X S+ 0 0 31 -4,-2.3 4,-3.4 2,-0.2 3,-0.4 0.934 108.6 54.8 -63.8 -49.8 46.5 -10.7 10.2 174 353 A D H X S+ 0 0 73 -4,-3.3 4,-3.1 1,-0.3 5,-0.3 0.873 105.1 54.2 -51.3 -45.7 42.8 -11.2 10.9 175 354 A R H X S+ 0 0 76 -4,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.893 114.4 40.5 -56.5 -42.2 43.2 -9.3 14.1 176 355 A L H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.911 114.4 53.6 -71.9 -43.4 44.7 -6.3 12.1 177 356 A S H X S+ 0 0 8 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.906 109.8 47.1 -52.7 -50.6 42.1 -6.8 9.3 178 357 A N H X S+ 0 0 81 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.780 109.9 53.9 -64.0 -32.7 39.2 -6.7 11.8 179 358 A T H X S+ 0 0 1 -4,-1.1 4,-2.5 -5,-0.3 -2,-0.2 0.885 110.0 48.1 -68.4 -39.6 40.8 -3.6 13.3 180 359 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.962 112.5 46.9 -63.4 -49.9 40.9 -2.0 9.9 181 360 A Q H X S+ 0 0 78 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 115.5 46.0 -61.1 -44.7 37.3 -2.9 9.0 182 361 A T H X S+ 0 0 40 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.880 110.9 52.5 -64.1 -41.1 36.0 -1.6 12.4 183 362 A Y H X>S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.6 0.925 110.0 49.8 -60.8 -44.5 38.1 1.6 12.1 184 363 A I H X5S+ 0 0 15 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.930 113.8 44.2 -58.7 -49.1 36.6 2.2 8.7 185 364 A R H <5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 123.9 34.9 -65.3 -31.7 33.0 1.7 10.0 186 365 A C H <5S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.742 132.3 19.2 -97.4 -27.7 33.5 3.8 13.1 187 366 A R H <5S+ 0 0 133 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.468 102.1 80.7-131.0 -8.0 35.8 6.6 12.2 188 367 A H S < - 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