==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 20-JAN-03 1NQ1 . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.HUBER,M.DESCLOZEAUX,B.L.WEST,S.T.CUNHA-LIMA,H.T.NGUYEN, . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 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 . 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.6 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 . 6 2.4 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 2 0 0 2 0 0 2 1 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 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 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 1 199 A A >> 0 0 120 0, 0.0 4,-0.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -69.8 33.1 27.5 43.8 2 200 A A H 3>> + 0 0 51 2,-0.2 4,-3.4 1,-0.2 5,-0.5 0.207 360.0 100.4 -96.1 13.8 35.1 26.8 47.0 3 201 A M H 3>5S+ 0 0 146 2,-0.2 4,-0.9 3,-0.2 -1,-0.2 0.786 102.3 35.8 -62.2 -22.4 32.7 24.1 48.3 4 202 A E H <>5S+ 0 0 24 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.907 113.6 53.2 -89.3 -63.4 35.7 22.4 46.7 5 203 A E H X5S+ 0 0 60 -4,-0.7 4,-1.6 1,-0.2 -2,-0.2 0.776 120.4 37.2 -45.4 -32.5 38.5 24.8 47.6 6 204 A L H X5S+ 0 0 116 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.932 111.1 55.3 -84.5 -57.8 37.3 24.4 51.3 7 205 A Q H XXS+ 0 0 82 -4,-0.9 5,-1.3 -5,-0.5 4,-1.1 0.732 113.1 49.4 -48.4 -21.2 36.4 20.7 51.2 8 206 A K H <5S+ 0 0 79 -4,-2.2 3,-0.4 -6,-0.2 -1,-0.2 0.961 102.0 55.6 -81.4 -64.2 40.0 20.3 50.0 9 207 A S H <5S+ 0 0 90 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.789 106.9 55.8 -37.7 -38.0 41.8 22.5 52.7 10 208 A I H <5S- 0 0 137 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.995 121.1-109.6 -57.5 -62.7 40.1 20.2 55.2 11 209 A G T <5 + 0 0 50 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.1 0.261 67.1 144.5 143.0 3.6 41.5 17.0 53.6 12 210 A H < - 0 0 33 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.459 40.8-150.8 -69.2 138.3 38.4 15.5 52.0 13 211 A K - 0 0 129 -2,-0.1 -1,-0.1 188,-0.1 -5,-0.1 -0.805 26.2-140.6-112.6 83.5 39.1 13.8 48.7 14 212 A P - 0 0 12 0, 0.0 187,-0.3 0, 0.0 188,-0.3 -0.196 6.1-141.7 -52.2 122.6 35.6 14.4 47.1 15 213 A E - 0 0 88 186,-0.2 2,-0.3 1,-0.2 184,-0.2 -0.102 45.9 -67.6 -70.8 179.8 34.1 11.5 45.0 16 214 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.545 51.7-114.8 -76.2 134.8 32.2 12.5 41.8 17 215 A T > - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.346 34.1-102.9 -66.4 148.6 28.9 14.3 42.2 18 216 A D H > S+ 0 0 153 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.811 124.9 46.0 -38.4 -44.0 25.8 12.4 41.1 19 217 A E H >> S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 3,-1.1 0.927 105.5 58.1 -69.5 -46.5 25.7 14.5 37.9 20 218 A E H 3> S+ 0 0 21 -3,-0.3 4,-2.9 1,-0.3 5,-0.2 0.879 100.2 60.4 -51.9 -36.2 29.4 14.1 37.2 21 219 A W H 3X S+ 0 0 85 -4,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.900 101.5 51.8 -58.5 -38.8 28.8 10.4 37.2 22 220 A E H < S+ 0 0 7 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.2 0.992 112.5 41.9 -71.9 -68.8 35.6 5.9 24.5 32 230 A V H >< S+ 0 0 71 -4,-1.7 3,-1.0 1,-0.3 -2,-0.2 0.786 113.9 56.7 -48.1 -32.6 35.1 2.1 24.8 33 231 A A H 3< S+ 0 0 67 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.878 111.8 39.5 -68.4 -38.8 32.6 2.4 21.9 34 232 A T T << S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-1.2 -2,-0.2 -0.027 102.3 108.0-100.3 29.7 35.2 4.0 19.5 35 233 A N S < S- 0 0 19 -3,-1.0 4,-0.1 1,-0.2 -3,-0.1 0.011 70.4 -83.3 -95.4-160.1 38.0 1.8 20.8 36 234 A A S S- 0 0 29 2,-0.4 89,-0.2 73,-0.1 -1,-0.2 0.422 72.0 -51.5 -83.3-142.8 40.1 -1.1 19.4 37 235 A Q S S- 0 0 71 88,-0.1 2,-0.4 87,-0.0 88,-0.1 0.323 99.3 -73.4 -82.2 7.8 39.4 -4.9 19.3 38 236 A G - 0 0 46 -6,-0.1 -2,-0.4 1,-0.1 87,-0.0 -0.930 58.1-105.4 139.1-111.8 38.5 -5.0 23.0 39 237 A S + 0 0 68 -2,-0.4 2,-0.3 -4,-0.1 -1,-0.1 0.364 52.9 134.9 148.1 71.2 41.4 -4.7 25.5 40 238 A H - 0 0 176 3,-0.1 2,-0.4 2,-0.0 -1,-0.0 -0.921 50.5 -93.6-141.2 166.7 42.9 -7.7 27.6 41 239 A W S S+ 0 0 229 -2,-0.3 74,-0.0 1,-0.1 -2,-0.0 -0.609 87.5 33.9 -80.2 121.8 46.0 -9.6 28.8 42 240 A K S S- 0 0 201 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.803 103.0 -13.9 96.9 93.8 47.3 -12.5 26.8 43 241 A Q + 0 0 91 1,-0.0 -3,-0.1 0, 0.0 0, 0.0 0.806 68.0 108.4 63.1 132.2 47.3 -12.8 23.0 44 242 A K + 0 0 122 1,-0.3 -3,-0.0 82,-0.1 -1,-0.0 -0.084 50.1 118.1 168.7 -42.2 45.5 -11.0 20.1 45 243 A Q - 0 0 67 1,-0.1 2,-0.7 82,-0.1 -1,-0.3 0.016 56.9-142.1 -49.4 145.7 48.3 -9.0 18.5 46 244 A K E -a 127 0A 125 80,-2.2 82,-0.6 3,-0.0 -1,-0.1 -0.689 28.9-137.8-111.1 76.0 49.4 -9.6 14.8 47 245 A F E -a 128 0A 111 -2,-0.7 3,-0.1 80,-0.2 82,-0.1 -0.037 19.5-118.0 -38.3 114.7 53.1 -9.1 15.3 48 246 A L - 0 0 15 80,-1.4 -1,-0.1 1,-0.1 4,-0.1 -0.315 43.3 -86.3 -58.7 132.4 54.4 -7.0 12.4 49 247 A P > - 0 0 64 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.133 35.8-131.9 -42.3 128.9 57.0 -8.9 10.3 50 248 A D T 3 S+ 0 0 122 1,-0.3 -2,-0.1 -3,-0.1 80,-0.0 0.656 103.1 65.5 -61.0 -18.3 60.4 -8.4 11.9 51 249 A D T 3 S+ 0 0 95 3,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.448 82.5 95.8 -84.8 -1.1 61.9 -7.5 8.5 52 250 A I S < S+ 0 0 6 -3,-1.9 85,-0.1 1,-0.2 84,-0.1 -0.731 90.4 4.9 -89.3 136.3 59.8 -4.4 8.3 53 251 A G 0 0 6 -2,-0.4 -1,-0.2 83,-0.1 84,-0.1 0.924 360.0 360.0 54.0 99.4 61.4 -1.2 9.5 54 252 A Q 0 0 155 -3,-0.1 -1,-0.1 82,-0.1 4,-0.1 -0.874 360.0 360.0-146.8 360.0 65.1 -1.8 10.4 55 ! 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 56 263 A K 0 0 156 0, 0.0 2,-0.4 0, 0.0 82,-0.2 0.000 360.0 360.0 360.0-153.5 66.0 7.6 6.3 57 264 A V - 0 0 22 80,-0.1 2,-2.0 181,-0.1 80,-0.2 -0.962 360.0-136.8-131.2 116.3 62.5 6.2 6.2 58 265 A D >> - 0 0 42 78,-2.2 4,-1.8 -2,-0.4 3,-1.3 -0.507 20.5-167.3 -70.8 87.3 61.7 2.5 5.8 59 266 A L H 3> S+ 0 0 89 -2,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.657 81.0 67.0 -49.7 -20.1 58.9 3.0 3.3 60 267 A E H 3> S+ 0 0 98 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.942 108.5 35.2 -68.0 -48.4 57.9 -0.6 3.8 61 268 A A H <> S+ 0 0 0 -3,-1.3 4,-1.9 2,-0.2 3,-0.5 0.983 111.7 59.8 -67.3 -59.7 56.8 0.1 7.4 62 269 A F H X S+ 0 0 4 -4,-1.8 4,-1.7 74,-0.3 5,-0.2 0.763 104.6 53.9 -38.6 -35.5 55.5 3.6 6.7 63 270 A S H X S+ 0 0 53 -4,-1.1 4,-1.7 -5,-0.3 -1,-0.3 0.973 104.8 50.9 -66.8 -56.2 53.1 1.9 4.3 64 271 A H H X S+ 0 0 65 -4,-1.4 4,-1.4 -3,-0.5 -2,-0.2 0.902 115.2 45.1 -46.3 -50.6 51.7 -0.6 6.8 65 272 A F H >< S+ 0 0 19 -4,-1.9 3,-1.6 1,-0.2 4,-0.5 0.991 113.0 44.7 -58.3 -78.3 51.0 2.3 9.2 66 273 A T H >< S+ 0 0 9 -4,-1.7 3,-0.5 1,-0.3 4,-0.5 0.691 106.5 69.3 -40.1 -21.7 49.4 4.9 6.9 67 274 A K H 3< S+ 0 0 67 -4,-1.7 3,-0.5 1,-0.2 -1,-0.3 0.976 110.7 27.3 -62.9 -55.9 47.5 1.8 5.7 68 275 A I T S+ 0 0 31 -3,-0.5 4,-2.3 -4,-0.5 -1,-0.2 0.775 73.8 59.0 -85.0 -29.2 45.8 5.2 9.8 70 277 A T H > S+ 0 0 49 -3,-0.5 4,-0.9 -4,-0.5 -1,-0.2 0.868 104.1 52.7 -69.6 -34.4 42.4 6.3 8.4 71 278 A P H >> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.978 110.7 46.3 -63.6 -51.9 40.5 3.9 10.6 72 279 A A H 3X S+ 0 0 18 -4,-1.0 4,-1.8 1,-0.3 3,-0.3 0.961 110.2 53.0 -51.8 -58.0 42.2 5.3 13.8 73 280 A I H 3X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.3 0.729 109.6 51.4 -53.8 -21.1 41.7 8.9 12.8 74 281 A T H < S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.3 0.986 111.1 48.9 -55.3 -61.3 34.7 9.6 20.1 80 287 A A H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.3 7,-0.2 0.792 107.4 57.9 -49.9 -32.4 34.5 13.4 19.9 81 288 A K H 3< S+ 0 0 120 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.838 99.8 57.1 -67.7 -35.3 31.1 13.0 18.2 82 289 A K T << S+ 0 0 91 -4,-1.5 -1,-0.2 -3,-1.5 -52,-0.2 0.366 86.5 89.3 -79.3 4.6 29.7 11.1 21.2 83 290 A L X> - 0 0 1 -3,-1.0 3,-1.7 -4,-0.3 4,-1.3 -0.900 68.1-153.4-107.8 104.8 30.5 14.0 23.6 84 291 A P H 3> S+ 0 0 78 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.802 93.6 59.1 -41.6 -45.4 27.4 16.4 23.7 85 292 A M H 34 S+ 0 0 32 1,-0.2 4,-0.1 2,-0.2 103,-0.1 0.876 103.0 54.3 -57.2 -38.2 29.6 19.3 24.7 86 293 A F H X4 S+ 0 0 7 -3,-1.7 3,-2.9 1,-0.2 -1,-0.2 0.976 105.2 51.3 -58.3 -57.5 31.5 18.8 21.5 87 294 A C H 3< S+ 0 0 77 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 98.7 67.9 -50.9 -32.2 28.4 18.9 19.3 88 295 A E T 3< S+ 0 0 131 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.505 88.1 91.9 -68.8 -2.3 27.5 22.2 21.0 89 296 A L S < S- 0 0 6 -3,-2.9 5,-0.1 -4,-0.1 -3,-0.0 -0.743 89.6 -96.9-101.6 144.3 30.5 23.7 19.3 90 297 A P > - 0 0 44 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.238 35.3-118.1 -52.5 133.9 30.6 25.5 15.9 91 298 A C H > S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.830 115.1 60.8 -44.0 -37.4 31.7 23.2 13.1 92 299 A E H >> S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.972 109.8 39.0 -53.9 -59.4 34.7 25.5 12.6 93 300 A D H 3> S+ 0 0 2 -3,-0.5 4,-2.8 1,-0.3 5,-0.2 0.823 107.0 63.2 -60.9 -38.5 35.9 24.9 16.1 94 301 A Q H 3X S+ 0 0 44 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.768 107.8 46.0 -59.9 -23.7 35.1 21.2 16.1 95 302 A I H S+ 0 0 18 -3,-0.4 4,-2.8 -4,-0.3 5,-0.2 0.838 116.1 59.4 -72.1 -29.3 47.6 12.7 17.4 104 311 A E H > S+ 0 0 7 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.964 110.3 39.9 -61.2 -53.3 47.5 13.4 21.2 105 312 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.842 115.8 54.1 -65.1 -32.9 44.6 11.0 21.7 106 313 A M H X S+ 0 0 25 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.896 108.3 47.0 -69.7 -39.5 46.1 8.6 19.2 107 314 A S H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.878 111.4 53.5 -67.6 -38.6 49.5 8.4 21.0 108 315 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 3,-0.2 0.981 110.2 45.5 -57.7 -59.2 47.6 7.9 24.3 109 316 A R H < S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.824 116.3 45.6 -54.5 -37.8 45.6 4.9 22.9 110 317 A A H >< S+ 0 0 11 -4,-1.8 3,-0.9 -5,-0.2 12,-0.5 0.831 112.6 52.3 -76.3 -30.9 48.7 3.4 21.4 111 318 A A H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.830 103.3 56.1 -73.0 -34.6 50.6 4.1 24.6 112 319 A V T 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.191 99.6 63.9 -83.0 15.6 48.1 2.4 26.9 113 320 A R T < S+ 0 0 48 -3,-0.9 2,-0.6 -5,-0.2 -1,-0.3 -0.128 73.1 137.2-125.9 32.1 48.5 -0.8 24.8 114 321 A Y < - 0 0 33 -3,-0.9 7,-0.2 7,-0.2 3,-0.1 -0.742 40.3-158.1 -88.9 120.4 52.1 -1.3 25.7 115 322 A D B >> -C 120 0B 64 5,-2.9 4,-1.7 -2,-0.6 5,-1.2 -0.846 3.3-163.8 -98.0 109.2 53.1 -4.8 26.5 116 323 A P T 45S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.791 85.9 59.1 -60.8 -29.2 56.2 -4.8 28.7 117 324 A E T 45S+ 0 0 86 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.996 121.6 21.4 -64.0 -65.9 56.8 -8.5 27.9 118 325 A S T 45S- 0 0 40 2,-0.1 -1,-0.2 12,-0.0 3,-0.1 0.585 103.3-132.3 -79.2 -8.3 57.1 -8.3 24.1 119 326 A E T <5 + 0 0 123 -4,-1.7 12,-0.4 1,-0.2 2,-0.3 0.906 62.4 127.6 56.6 45.3 57.9 -4.6 24.5 120 327 A T B < -C 115 0B 6 -5,-1.2 -5,-2.9 10,-0.1 -1,-0.2 -0.968 52.8-141.6-137.1 150.3 55.4 -3.6 21.9 121 328 A L E -B 129 0A 0 8,-1.4 8,-1.7 -2,-0.3 2,-0.5 -0.564 20.0-132.8 -98.3 167.2 52.5 -1.3 21.3 122 329 A T E > -B 128 0A 23 -12,-0.5 3,-1.0 6,-0.2 6,-0.3 -0.917 15.7-150.7-129.7 104.9 49.4 -2.3 19.4 123 330 A L E >> S-B 127 0A 30 4,-3.0 3,-2.8 -2,-0.5 4,-1.0 -0.525 81.5 -4.9 -76.7 138.5 48.2 0.2 16.9 124 331 A N T 34 S- 0 0 22 1,-0.3 -1,-0.3 -2,-0.2 -14,-0.0 0.663 120.3 -79.5 53.4 15.7 44.4 0.2 16.1 125 332 A G T <4 S+ 0 0 9 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.1 0.600 127.8 68.3 70.7 12.3 44.4 -2.8 18.4 126 333 A E T <4 S+ 0 0 63 -3,-2.8 -80,-2.2 1,-0.2 2,-0.4 0.664 81.1 59.7-120.3 -69.7 45.6 -5.0 15.6 127 334 A M E < -aB 46 123A 18 -4,-1.0 -4,-3.0 -82,-0.2 2,-0.3 -0.544 63.5-154.9 -76.0 120.2 49.2 -4.3 14.5 128 335 A A E +aB 47 122A 2 -82,-0.6 -80,-1.4 -2,-0.4 2,-0.3 -0.704 18.7 179.8 -89.6 144.4 52.0 -4.7 17.1 129 336 A V E - B 0 121A 1 -8,-1.7 -8,-1.4 -2,-0.3 2,-0.2 -0.955 19.8-130.3-141.8 158.0 55.1 -2.6 16.4 130 337 A T > - 0 0 47 -2,-0.3 4,-2.5 -10,-0.2 5,-0.3 -0.516 35.8 -97.2-102.8 177.6 58.5 -2.2 18.1 131 338 A R H > S+ 0 0 74 -12,-0.4 4,-3.0 1,-0.2 5,-0.1 0.980 125.3 39.6 -57.6 -56.6 60.2 1.0 19.0 132 339 A G H > S+ 0 0 28 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.750 112.4 56.9 -66.2 -24.9 62.5 0.9 15.9 133 340 A Q H > S+ 0 0 10 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.973 114.7 37.1 -69.9 -49.4 59.7 -0.3 13.7 134 341 A L H <>S+ 0 0 6 -4,-2.5 5,-1.4 2,-0.2 6,-0.3 0.892 119.0 52.7 -66.1 -39.3 57.5 2.7 14.5 135 342 A K H >X>S+ 0 0 70 -4,-3.0 5,-2.6 -5,-0.3 3,-0.9 0.960 114.6 38.2 -60.7 -54.1 60.6 4.8 14.6 136 343 A N H 3<5S+ 0 0 50 -4,-2.9 -78,-2.2 1,-0.3 -74,-0.3 0.629 102.5 74.8 -73.7 -15.5 61.9 3.8 11.1 137 344 A G T 3<5S- 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 0.183 130.9 -77.3 -82.6 18.0 58.3 3.8 9.8 138 345 A G T <45S+ 0 0 0 -3,-0.9 -2,-0.2 -82,-0.2 -3,-0.2 0.498 113.2 92.1 105.2 3.8 58.4 7.6 9.8 139 346 A L T ><< + 0 0 22 -5,-1.4 3,-2.4 -4,-0.6 -4,-0.2 0.628 56.7 178.8-103.1 -16.6 57.9 8.7 13.5 140 347 A G T >> S+ 0 0 86 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.595 121.7 78.1 -57.7 -8.1 62.2 10.1 18.0 142 349 A V H <> S+ 0 0 1 -3,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.740 87.1 59.6 -73.2 -20.5 58.4 10.3 18.4 143 350 A S H <> S+ 0 0 0 -3,-2.7 4,-3.2 2,-0.2 5,-0.3 0.929 103.1 49.3 -70.6 -44.6 58.4 6.5 18.8 144 351 A D H X S+ 0 0 33 -4,-0.6 4,-2.8 2,-0.2 5,-0.2 0.844 108.3 56.8 -61.6 -35.2 60.6 6.7 21.8 145 352 A A H X S+ 0 0 33 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.984 112.9 37.6 -60.7 -57.3 58.3 9.3 23.2 146 353 A I H X S+ 0 0 4 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.934 117.9 49.6 -62.6 -47.6 55.2 7.1 23.0 147 354 A F H X S+ 0 0 4 -4,-3.2 4,-2.2 1,-0.3 5,-0.2 0.944 111.2 49.6 -58.3 -46.0 57.1 3.9 24.0 148 355 A D H X S+ 0 0 75 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.3 0.853 112.8 49.4 -61.0 -31.6 58.6 5.7 27.0 149 356 A L H >X S+ 0 0 9 -4,-1.9 4,-2.7 -5,-0.2 3,-0.7 0.991 107.0 52.1 -69.6 -59.8 55.1 6.9 27.9 150 357 A G H 3< S+ 0 0 2 -4,-3.1 4,-0.3 1,-0.3 -2,-0.2 0.843 109.7 51.3 -42.3 -43.1 53.5 3.6 27.6 151 358 A M H >< S+ 0 0 76 -4,-2.2 3,-1.1 -5,-0.2 4,-0.4 0.915 111.6 47.2 -62.9 -43.2 56.1 2.2 30.0 152 359 A S H X< S+ 0 0 40 -4,-1.6 3,-0.9 -3,-0.7 4,-0.5 0.872 106.4 56.7 -66.5 -38.0 55.5 5.0 32.4 153 360 A L T 3X>S+ 0 0 14 -4,-2.7 4,-0.6 1,-0.2 5,-0.6 0.481 85.5 85.7 -72.9 -2.0 51.7 4.5 32.2 154 361 A S T X45S+ 0 0 49 -3,-1.1 3,-0.8 -5,-0.3 -1,-0.2 0.938 91.3 46.0 -61.1 -47.0 52.3 0.9 33.3 155 362 A S T <45S+ 0 0 84 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.739 101.3 62.7 -69.3 -28.6 52.3 2.0 36.9 156 363 A F T 345S- 0 0 17 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.703 85.1-155.5 -73.9 -14.4 49.2 4.2 36.8 157 364 A N T <<5 - 0 0 115 -3,-0.8 -3,-0.1 -4,-0.6 -2,-0.1 0.868 22.0-165.4 40.6 48.6 47.2 1.1 35.9 158 365 A L < - 0 0 33 -5,-0.6 2,-0.2 1,-0.1 -1,-0.1 0.039 7.3-146.8 -56.0 168.5 44.6 3.4 34.2 159 366 A D > - 0 0 33 1,-0.0 4,-2.6 0, 0.0 5,-0.3 -0.769 34.5 -87.8-130.2 176.4 41.1 2.2 33.3 160 367 A D H > S+ 0 0 73 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 125.1 50.7 -54.8 -48.9 38.8 3.1 30.4 161 368 A T H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.897 112.4 46.4 -57.1 -42.0 37.2 6.0 32.2 162 369 A E H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 117.8 41.9 -67.8 -42.9 40.5 7.5 33.1 163 370 A V H X S+ 0 0 8 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.779 116.6 52.1 -72.9 -24.3 41.8 7.1 29.6 164 371 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.897 112.8 42.0 -77.9 -40.7 38.4 8.3 28.4 165 372 A L H >X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 3,-0.6 0.936 110.2 57.9 -69.0 -46.8 38.4 11.4 30.5 166 373 A L H 3X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.875 105.8 50.5 -48.6 -45.5 42.1 12.1 29.7 167 374 A Q H 3X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.844 107.3 53.5 -65.0 -34.7 41.1 12.1 26.0 168 375 A A H < S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.881 111.9 51.9 -66.9 -32.7 43.1 16.6 25.4 171 378 A L H 3< S+ 0 0 0 -4,-2.0 2,-1.2 1,-0.2 -2,-0.2 0.927 101.4 55.6 -69.1 -50.1 40.1 17.5 23.2 172 379 A M T 3< + 0 0 0 -4,-2.2 2,-1.4 -5,-0.1 -1,-0.2 -0.153 67.8 149.3 -79.6 43.2 38.8 20.6 25.0 173 380 A S X - 0 0 0 -2,-1.2 3,-1.6 -3,-0.6 13,-0.1 -0.650 28.9-168.2 -80.3 94.8 42.2 22.4 24.6 174 381 A S T 3 S+ 0 0 15 -2,-1.4 -1,-0.2 1,-0.3 12,-0.1 0.430 74.8 74.7 -66.1 3.1 40.9 26.0 24.4 175 382 A D T 3 + 0 0 107 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.394 61.6 125.7 -96.9 3.6 44.4 27.1 23.3 176 383 A R S X S- 0 0 31 -3,-1.6 3,-1.6 1,-0.1 -79,-0.1 -0.415 73.6-100.6 -62.8 134.4 44.2 25.7 19.8 177 384 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.327 102.5 18.0 -59.8 132.2 44.9 28.6 17.3 178 385 A G T 3 S+ 0 0 70 1,-0.3 -2,-0.1 -3,-0.1 -82,-0.1 0.223 79.3 155.2 94.4 -14.6 41.9 30.0 15.7 179 386 A L < - 0 0 18 -3,-1.6 -1,-0.3 1,-0.1 3,-0.2 -0.126 23.9-168.5 -48.5 141.0 39.2 28.8 18.1 180 387 A A S S+ 0 0 75 1,-0.2 2,-2.0 -90,-0.1 3,-0.3 0.866 80.4 45.5 -96.2 -64.3 36.2 31.0 18.1 181 388 A C S S+ 0 0 33 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 -0.539 70.3 152.2 -83.6 76.7 34.2 29.8 21.2 182 389 A V > + 0 0 52 -2,-2.0 4,-1.4 -3,-0.2 3,-0.3 0.797 66.4 50.8 -75.4 -35.4 37.3 29.8 23.5 183 390 A E H >> S+ 0 0 75 -3,-0.3 4,-2.3 1,-0.2 3,-0.7 0.986 105.1 53.9 -69.2 -56.4 35.4 30.4 26.7 184 391 A R H 3> S+ 0 0 99 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.603 108.8 54.0 -55.2 -10.6 32.8 27.7 26.3 185 392 A I H 3> S+ 0 0 0 -3,-0.3 4,-2.7 -4,-0.2 -1,-0.3 0.855 104.7 49.1 -91.7 -42.4 35.6 25.3 25.8 186 393 A E H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 3,-0.6 0.924 107.0 53.1 -59.9 -44.7 36.9 13.2 41.6 199 406 A Y H 3X S+ 0 0 25 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.807 106.9 53.5 -60.8 -30.9 36.9 9.9 39.8 200 407 A I H 3X S+ 0 0 10 -4,-1.6 4,-1.4 -3,-0.2 5,-0.5 0.795 108.2 49.0 -74.9 -28.5 40.6 9.5 40.8 201 408 A N H << S+ 0 0 21 -4,-1.3 3,-0.3 -3,-0.6 -2,-0.2 0.962 110.7 50.6 -71.0 -54.3 39.8 10.1 44.4 202 409 A Y H < S+ 0 0 111 -4,-2.6 -2,-0.2 -188,-0.3 -1,-0.2 0.786 116.4 41.5 -51.1 -33.9 36.9 7.6 44.2 203 410 A R H < S- 0 0 84 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.730 92.2-164.3 -86.6 -26.0 39.4 5.1 42.7 204 411 A K < - 0 0 142 -4,-1.4 2,-0.2 -3,-0.3 -3,-0.1 0.890 3.5-156.1 32.7 90.2 42.2 6.0 45.1 205 412 A H - 0 0 37 -5,-0.5 2,-1.1 2,-0.1 5,-0.1 -0.535 22.2-119.2 -81.8 156.4 45.3 4.6 43.5 206 413 A H S S+ 0 0 187 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.511 76.8 111.9-102.4 67.8 48.1 4.0 45.8 207 414 A V S > S- 0 0 47 -2,-1.1 3,-1.3 -51,-0.0 2,-0.1 -0.997 71.1-117.3-136.5 126.4 50.5 6.3 44.2 208 415 A T T 3 S+ 0 0 92 -2,-0.4 5,-0.1 1,-0.3 -2,-0.1 -0.442 96.3 3.8 -68.2 137.1 51.7 9.5 45.8 209 416 A H T 3> S+ 0 0 129 -2,-0.1 4,-2.2 3,-0.1 -1,-0.3 0.818 80.9 165.0 60.5 31.7 50.7 12.7 44.0 210 417 A F H X> + 0 0 13 -3,-1.3 4,-2.8 1,-0.2 3,-0.6 0.927 68.8 45.0 -43.8 -65.5 48.7 10.7 41.4 211 418 A W H 3> S+ 0 0 38 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.896 111.9 50.5 -50.0 -49.5 46.7 13.6 40.0 212 419 A P H 3> S+ 0 0 69 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.890 114.6 46.9 -59.5 -32.1 49.7 16.0 39.7 213 420 A K H << S+ 0 0 68 -4,-2.2 4,-0.4 -3,-0.6 -2,-0.2 0.889 109.2 52.4 -74.6 -38.9 51.5 13.2 38.0 214 421 A L H X S+ 0 0 1 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.721 107.6 52.7 -70.4 -20.9 48.7 12.4 35.6 215 422 A L H X S+ 0 0 60 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.768 100.1 61.2 -82.7 -27.5 48.5 16.0 34.6 216 423 A M H X S+ 0 0 118 -4,-1.0 4,-1.3 -5,-0.2 -1,-0.2 0.673 100.5 57.3 -70.3 -15.4 52.1 16.0 33.8 217 424 A K H > S+ 0 0 26 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.876 96.0 60.2 -80.4 -41.1 51.1 13.3 31.3 218 425 A V H X S+ 0 0 15 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.946 107.6 48.3 -49.6 -46.3 48.7 15.6 29.6 219 426 A T H X S+ 0 0 82 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.903 109.6 50.0 -61.6 -42.7 51.7 17.8 28.9 220 427 A D H X S+ 0 0 65 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.916 110.3 50.7 -63.8 -39.4 53.8 14.9 27.6 221 428 A L H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.886 108.1 52.9 -63.3 -38.1 51.0 13.9 25.2 222 429 A R H X S+ 0 0 48 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.849 108.4 51.3 -65.4 -31.7 50.8 17.5 24.0 223 430 A M H X S+ 0 0 110 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.760 106.7 51.8 -75.5 -26.7 54.5 17.3 23.3 224 431 A I H X S+ 0 0 10 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.895 109.9 52.8 -73.8 -40.0 54.1 14.1 21.3 225 432 A G H >X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 3,-0.8 0.977 112.3 41.3 -55.5 -60.9 51.4 15.9 19.4 226 433 A A H 3X S+ 0 0 61 -4,-2.3 4,-1.4 1,-0.3 -1,-0.2 0.818 112.9 54.5 -57.2 -36.4 53.6 18.9 18.5 227 434 A C H 3X S+ 0 0 53 -4,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.803 105.3 55.1 -71.0 -27.0 56.6 16.7 17.8 228 435 A H H X S+ 0 0 60 -4,-1.4 4,-1.8 1,-0.3 3,-0.5 0.897 111.3 53.0 -65.0 -39.9 57.3 18.5 12.7 231 438 A R H 3X S+ 0 0 56 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.784 101.2 61.9 -66.5 -22.9 57.7 14.8 11.9 232 439 A F H 3X S+ 0 0 2 -4,-2.1 4,-2.0 -3,-0.4 -1,-0.2 0.838 103.8 49.3 -69.9 -33.5 54.9 15.1 9.4 233 440 A L H XX S+ 0 0 98 -4,-1.1 4,-1.6 -3,-0.5 3,-1.1 0.995 109.0 48.9 -65.9 -67.2 56.9 17.7 7.5 234 441 A H H 3X S+ 0 0 105 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.756 113.9 51.4 -43.4 -25.6 60.1 15.5 7.4 235 442 A M H 3X S+ 0 0 8 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.3 0.868 103.3 55.6 -81.3 -40.0 57.7 12.7 6.2 236 443 A K H << S+ 0 0 109 -4,-2.0 -2,-0.2 -3,-1.1 -3,-0.1 0.982 115.5 38.9 -52.9 -60.1 56.1 14.8 3.4 237 444 A V H < S+ 0 0 125 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.923 122.9 40.3 -58.2 -50.7 59.6 15.5 1.9 238 445 A E H < S+ 0 0 64 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.996 112.3 48.5 -66.1 -69.0 61.1 12.0 2.6 239 446 A C S < S- 0 0 3 -4,-1.4 -181,-0.0 -5,-0.2 5,-0.0 -0.237 100.2 -87.8 -68.5 164.3 58.2 9.5 1.7 240 447 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.229 26.5-119.4 -59.9-171.9 56.2 9.9 -1.5 241 448 A T S S+ 0 0 95 2,-0.1 3,-0.2 1,-0.1 -5,-0.0 0.337 105.9 61.5-113.2 2.2 53.2 12.0 -2.0 242 449 A E S S+ 0 0 89 1,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.740 88.3 65.4 -99.6 -29.3 51.0 9.1 -2.9 243 450 A L S S+ 0 0 66 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.104 77.9 103.7 -83.4 25.9 51.1 7.0 0.2 244 451 A F S S- 0 0 15 -3,-0.2 5,-0.2 -5,-0.0 -1,-0.1 -0.764 71.1-134.7-113.0 88.8 49.3 9.7 2.2 245 452 A P > - 0 0 24 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.115 21.1-118.7 -34.2 149.3 45.7 8.8 2.9 246 453 A P H > S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.940 111.9 42.6 -61.1 -53.0 43.3 11.8 2.2 247 454 A L H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.977 111.4 56.4 -57.0 -57.1 42.0 12.2 5.8 248 455 A F H > S+ 0 0 7 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.863 110.9 46.3 -40.3 -46.4 45.4 11.7 7.2 249 456 A L H < S+ 0 0 53 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.912 109.9 48.6 -69.1 -46.7 46.5 14.6 5.1 250 457 A E H >< S+ 0 0 58 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.937 111.8 51.3 -60.6 -46.2 43.7 17.1 5.8 251 458 A V H 3< S+ 0 0 18 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.872 114.1 43.0 -57.1 -42.3 44.0 16.6 9.5 252 459 A F T 3< S+ 0 0 12 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.119 72.0 98.4-100.4 22.6 47.8 17.1 9.6 253 460 A E < 0 0 115 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.178 360.0 360.0 -87.3 21.6 48.6 20.1 7.4 254 461 A D 0 0 87 -3,-0.2 -1,-0.3 -155,-0.1 -2,-0.1 0.209 360.0 360.0 153.0 360.0 48.5 21.6 10.9