==== 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 12-NOV-04 1XZX . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.SANDLER,P.WEBB,J.W.APRILETTI,B.R.HUBER,M.TOGASHI,S.T.CUNHA . 249 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 76.7 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 55.0 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 1 0 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 0 0 0 0 1 0 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 1 200 X H 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.2 0.2 45.1 62.9 2 201 X M >> + 0 0 62 3,-0.1 4,-1.4 4,-0.0 3,-0.8 0.913 360.0 179.2 89.1 48.9 -3.0 43.5 61.2 3 202 X E H 3> S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.893 72.6 51.9 -49.9 -61.6 -3.2 40.0 62.8 4 203 X E H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.713 109.9 48.1 -50.5 -31.6 -6.3 38.6 61.1 5 204 X L H <> S+ 0 0 116 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.822 108.7 51.0 -85.5 -38.3 -5.2 39.4 57.5 6 205 X Q H <>S+ 0 0 71 -4,-1.4 5,-2.5 -3,-0.4 3,-0.4 0.936 115.1 45.9 -52.5 -49.9 -1.6 37.9 57.7 7 206 X K H ><5S+ 0 0 57 -4,-1.8 3,-3.0 -5,-0.2 -2,-0.2 0.966 109.5 55.5 -56.8 -53.3 -3.3 34.8 59.1 8 207 X S H 3<5S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.655 106.6 49.2 -60.4 -25.7 -5.9 35.0 56.3 9 208 X I T 3<5S- 0 0 133 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.309 123.7-106.2 -83.5 -2.1 -3.3 35.0 53.6 10 209 X G T < 5S+ 0 0 62 -3,-3.0 -3,-0.2 1,-0.3 2,-0.2 0.518 73.3 139.3 76.1 7.2 -1.6 31.9 55.3 11 210 X H < - 0 0 46 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.534 47.0-141.7 -80.2 152.6 1.4 33.7 56.8 12 211 X K - 0 0 146 -2,-0.2 -5,-0.0 186,-0.1 -1,-0.0 -0.876 22.2-136.5-118.3 94.4 2.5 32.8 60.4 13 212 X P - 0 0 13 0, 0.0 185,-0.3 0, 0.0 186,-0.2 -0.343 14.5-153.6 -61.6 130.6 3.6 36.0 62.1 14 213 X E - 0 0 84 184,-0.2 2,-0.3 1,-0.1 182,-0.2 -0.265 43.8 -55.3 -88.3 172.9 6.8 35.9 64.2 15 214 X P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 177,-0.1 -0.481 45.5-133.5 -65.2 129.0 7.4 38.2 67.1 16 215 X T > - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.112 35.5-102.9 -59.2 164.2 7.3 42.0 66.9 17 216 X D H > S+ 0 0 150 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.898 125.9 51.3 -62.0 -40.9 10.2 43.8 68.6 18 217 X E H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.941 109.9 51.7 -65.2 -39.1 8.0 44.7 71.6 19 218 X E H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.878 103.1 57.5 -62.3 -39.9 7.1 40.9 71.8 20 219 X W H X S+ 0 0 89 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.832 107.9 47.9 -62.6 -32.9 10.7 39.8 71.8 21 220 X E H X S+ 0 0 145 -4,-1.4 4,-2.4 -3,-0.4 -2,-0.2 0.917 110.3 50.5 -65.9 -50.5 11.3 42.0 74.9 22 221 X L H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.889 113.1 48.5 -52.3 -38.8 8.2 40.5 76.6 23 222 X I H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.836 108.5 51.8 -72.2 -41.0 9.6 37.1 75.7 24 223 X K H X S+ 0 0 60 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.952 110.9 49.1 -64.3 -47.8 13.1 37.9 77.1 25 224 X T H X S+ 0 0 53 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.898 115.1 41.6 -54.0 -50.4 11.6 39.1 80.4 26 225 X V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.930 114.3 53.0 -67.9 -43.4 9.3 36.0 81.0 27 226 X T H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.964 111.6 43.6 -57.6 -48.5 12.0 33.6 79.8 28 227 X E H X S+ 0 0 63 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.907 111.7 56.5 -67.1 -37.2 14.7 35.1 82.3 29 228 X A H X S+ 0 0 3 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.908 113.1 40.0 -53.6 -43.6 12.0 35.1 85.1 30 229 X H H X S+ 0 0 2 -4,-2.5 4,-0.6 -3,-0.3 3,-0.5 0.919 114.2 50.9 -77.1 -49.6 11.4 31.5 84.6 31 230 X V H >< S+ 0 0 66 -4,-2.8 3,-0.7 -5,-0.3 6,-0.2 0.900 110.7 51.1 -61.4 -36.1 15.0 30.5 84.1 32 231 X A H 3< S+ 0 0 65 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.9 38.9 -62.0 -37.0 16.1 32.3 87.3 33 232 X T H 3< S+ 0 0 8 -4,-1.1 2,-1.0 -3,-0.5 -1,-0.2 0.241 87.4 104.4-105.7 15.2 13.4 30.6 89.4 34 233 X N S X< S- 0 0 14 -3,-0.7 3,-2.0 -4,-0.6 -1,-0.1 -0.696 80.4-117.2 -99.5 85.1 13.6 27.2 87.9 35 234 X A T 3 S- 0 0 17 -2,-1.0 -2,-0.1 1,-0.3 5,-0.1 0.218 88.7 -5.1 -22.0 118.2 15.5 25.0 90.5 36 235 X Q T > S- 0 0 100 3,-0.1 3,-1.2 2,-0.1 -1,-0.3 0.622 91.1-141.9 64.2 17.6 18.8 23.6 89.2 37 236 X G T < - 0 0 30 -3,-2.0 3,-0.5 1,-0.2 -5,-0.0 0.063 67.9 -20.0 37.9-124.7 18.3 24.9 85.7 38 237 X S T 3 S+ 0 0 95 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.462 126.8 77.5 -94.1 -7.4 19.6 22.6 82.9 39 238 X H X> + 0 0 134 -3,-1.2 4,-1.5 1,-0.2 3,-0.5 0.170 65.4 105.5 -86.4 17.6 21.8 20.7 85.4 40 239 X W T 34 + 0 0 44 -3,-0.5 -1,-0.2 1,-0.2 4,-0.2 0.867 60.4 67.3 -73.8 -38.6 18.7 18.7 86.9 41 240 X K T 34 S+ 0 0 106 -3,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.742 116.0 29.0 -59.0 -22.8 19.1 15.1 85.4 42 241 X Q T <4 S+ 0 0 151 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.740 110.3 64.3-103.1 -35.9 22.3 14.6 87.5 43 242 X K S < S+ 0 0 49 -4,-1.5 2,-0.5 -7,-0.1 -2,-0.2 0.173 87.0 108.8 -72.9 21.6 21.7 16.8 90.5 44 243 X R - 0 0 32 -4,-0.2 2,-0.5 -3,-0.1 80,-0.2 -0.887 56.6-151.7-117.3 124.6 18.7 14.5 91.4 45 244 X K E -a 124 0A 104 78,-2.4 80,-1.7 -2,-0.5 2,-0.3 -0.771 21.2-132.8 -86.1 117.7 18.2 11.9 94.3 46 245 X F E -a 125 0A 111 -2,-0.5 80,-0.2 78,-0.2 3,-0.1 -0.539 25.6-120.5 -68.1 127.1 15.8 8.9 93.5 47 246 X L - 0 0 8 78,-2.4 80,-0.1 -2,-0.3 -1,-0.1 -0.541 41.3 -92.7 -75.7 133.6 13.4 8.5 96.4 48 247 X P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.178 25.5-123.7 -53.2 131.2 13.8 5.0 97.8 49 248 X E T 3 S+ 0 0 174 1,-0.3 -2,-0.1 -3,-0.1 78,-0.0 0.761 110.3 62.1 -37.6 -35.5 11.5 2.3 96.4 50 249 X D T 3 S+ 0 0 104 2,-0.1 2,-1.0 1,-0.0 -1,-0.3 0.768 77.1 83.1 -77.2 -27.1 10.3 1.6 100.0 51 250 X I < 0 0 9 -3,-2.0 83,-0.1 6,-0.1 79,-0.1 -0.779 360.0 360.0 -75.7 109.4 8.9 5.1 100.6 52 251 X G 0 0 29 -2,-1.0 6,-0.1 81,-0.1 -2,-0.1 -0.226 360.0 360.0-116.5 360.0 6.0 3.7 98.9 53 ! 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 54 264 X V 0 0 80 0, 0.0 2,-0.5 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 98.8 -2.1 8.5 102.9 55 265 X D > - 0 0 55 78,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.400 360.0-154.8 -56.3 110.4 1.5 7.1 103.3 56 266 X L H > S+ 0 0 113 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.715 83.0 51.1 -71.0 -29.8 2.8 9.5 105.9 57 267 X E H > S+ 0 0 92 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.877 111.4 49.3 -82.4 -39.7 6.6 9.4 105.3 58 268 X A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.961 110.9 51.5 -48.0 -53.7 6.2 10.2 101.6 59 269 X F H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.890 109.7 51.3 -53.6 -38.3 3.9 13.0 102.6 60 270 X S H X S+ 0 0 65 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.921 106.5 50.2 -74.9 -48.8 6.5 14.2 104.9 61 271 X H H X S+ 0 0 58 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.899 114.0 47.4 -50.8 -40.8 9.4 14.3 102.4 62 272 X F H X S+ 0 0 23 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.859 110.9 50.4 -78.0 -32.0 7.1 16.3 99.9 63 273 X T H X S+ 0 0 12 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.811 103.1 60.5 -76.4 -18.7 6.0 18.7 102.5 64 274 X K H < S+ 0 0 75 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.919 114.6 35.4 -68.9 -41.3 9.6 19.3 103.5 65 275 X I H X S+ 0 0 23 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.559 97.6 82.2 -89.6 -6.7 10.4 20.6 100.0 66 276 X I H X S+ 0 0 28 -4,-1.0 4,-2.2 1,-0.2 5,-0.2 0.801 78.9 65.1 -71.4 -28.3 7.1 22.3 99.1 67 277 X T H X S+ 0 0 45 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.962 105.3 44.0 -65.0 -44.3 7.8 25.6 100.8 68 278 X P H > S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.839 111.5 54.4 -62.7 -35.5 10.8 26.5 98.5 69 279 X A H X S+ 0 0 11 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.917 108.5 48.3 -67.5 -40.6 8.9 25.4 95.4 70 280 X I H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.8 0.922 111.2 51.9 -60.9 -37.9 6.0 27.7 96.3 71 281 X T H 3X S+ 0 0 54 -4,-1.9 4,-2.7 1,-0.3 -2,-0.2 0.932 101.6 57.5 -76.8 -35.6 8.4 30.5 96.9 72 282 X R H 3X S+ 0 0 36 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.734 105.7 53.9 -59.1 -22.9 10.1 30.1 93.5 73 283 X V H < S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 6,-0.3 0.877 105.3 59.5 -66.5 -42.7 5.7 36.4 89.2 78 288 X K H 3< S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 100.8 58.6 -58.6 -31.1 7.5 39.3 90.9 79 289 X K T 3< S+ 0 0 100 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.301 87.3 86.6 -83.9 8.3 9.9 39.4 87.9 80 290 X L X> - 0 0 2 -3,-2.1 4,-1.4 1,-0.1 3,-1.0 -0.942 69.5-154.4-102.8 114.4 7.0 40.1 85.6 81 291 X P H 3> S+ 0 0 91 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.829 93.4 60.2 -56.8 -34.5 6.4 43.9 85.5 82 292 X M H 34 S+ 0 0 40 1,-0.2 4,-0.2 2,-0.2 103,-0.1 0.851 102.4 52.0 -60.3 -32.7 2.8 43.3 84.6 83 293 X F H X4 S+ 0 0 8 -3,-1.0 3,-1.4 -6,-0.3 -1,-0.2 0.917 107.3 52.7 -70.9 -37.7 2.3 41.4 87.8 84 294 X C H 3< S+ 0 0 74 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.781 98.1 66.4 -66.2 -24.8 3.8 44.4 89.8 85 295 X E T 3< S+ 0 0 115 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.491 90.7 87.5 -73.2 1.3 1.3 46.7 88.1 86 296 X L S < S- 0 0 10 -3,-1.4 5,-0.1 -4,-0.2 -3,-0.0 -0.718 86.8 -96.0-105.0 152.1 -1.6 45.0 89.9 87 297 X P >> - 0 0 43 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.202 36.5-111.9 -64.0 151.2 -3.1 45.6 93.3 88 298 X C H 3> S+ 0 0 75 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.838 115.4 50.8 -57.3 -46.2 -1.9 43.5 96.3 89 299 X E H 3> S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.846 111.2 50.5 -56.7 -41.4 -5.2 41.6 96.8 90 300 X D H <> S+ 0 0 1 -3,-0.7 4,-3.0 1,-0.2 -2,-0.2 0.935 109.3 50.6 -66.3 -44.8 -5.2 40.7 93.0 91 301 X Q H X S+ 0 0 49 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.774 111.3 46.9 -59.5 -41.4 -1.7 39.4 93.1 92 302 X I H X S+ 0 0 91 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.872 112.6 51.7 -68.5 -42.2 -2.4 37.2 96.1 93 303 X I H X S+ 0 0 42 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.959 110.9 45.9 -62.3 -46.3 -5.5 36.0 94.3 94 304 X L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.914 113.2 51.7 -65.7 -38.2 -3.6 35.1 91.1 95 305 X L H X S+ 0 0 23 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.956 109.1 46.9 -62.1 -53.7 -0.8 33.4 93.0 96 306 X K H < S+ 0 0 81 -4,-2.6 4,-0.5 1,-0.2 3,-0.2 0.943 115.6 49.3 -52.1 -43.4 -3.1 31.2 95.1 97 307 X G H < S+ 0 0 24 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.889 119.9 32.8 -60.3 -47.4 -4.9 30.3 91.8 98 308 X C H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.1 5,-0.3 0.571 91.0 94.2 -90.0 -4.5 -1.8 29.5 89.7 99 309 X C H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.3 5,-0.2 0.919 91.3 37.3 -69.3 -48.3 0.4 28.0 92.2 100 310 X M H > S+ 0 0 16 -4,-0.5 4,-2.7 1,-0.2 -1,-0.3 0.884 115.2 57.3 -64.2 -32.1 -0.4 24.3 91.8 101 311 X E H > S+ 0 0 7 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.880 110.5 42.4 -61.8 -42.1 -0.7 24.8 88.0 102 312 X I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.931 114.1 49.6 -78.2 -41.3 2.7 26.1 87.7 103 313 X M H X S+ 0 0 26 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.884 110.7 51.5 -62.2 -41.2 4.4 23.6 90.1 104 314 X S H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.828 109.2 50.1 -59.4 -41.5 2.7 20.8 88.2 105 315 X L H X S+ 0 0 1 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.942 108.3 51.6 -66.5 -41.7 3.9 22.1 85.0 106 316 X R H < S+ 0 0 13 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.830 115.1 44.8 -68.8 -27.9 7.6 22.4 86.3 107 317 X A H >< S+ 0 0 7 -4,-1.9 3,-0.9 -5,-0.2 12,-0.6 0.874 111.2 51.6 -74.6 -43.8 7.3 18.7 87.5 108 318 X A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.897 103.5 56.2 -63.3 -40.8 5.7 17.4 84.3 109 319 X V T 3< S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.655 102.3 59.7 -71.3 -12.3 8.3 18.9 82.1 110 320 X R T < S+ 0 0 11 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.3 -0.048 74.2 137.1 -95.1 29.7 11.0 16.9 84.2 111 321 X Y < - 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B 0 118A 0 -8,-2.2 -8,-1.7 -2,-0.5 2,-0.1 -0.825 21.3-128.6-123.0 155.1 9.6 10.2 92.3 127 337 X T > - 0 0 58 -2,-0.3 4,-1.8 -10,-0.2 5,-0.2 -0.413 34.6-105.7 -84.2 171.6 7.4 7.5 90.7 128 338 X R H > S+ 0 0 76 -12,-0.4 4,-2.8 2,-0.2 5,-0.1 0.960 121.5 51.2 -53.7 -62.0 3.7 7.7 90.0 129 339 X G H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.883 110.8 48.7 -39.1 -50.8 3.0 5.3 92.9 130 340 X Q H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.891 113.8 43.1 -68.4 -42.9 5.1 7.4 95.3 131 341 X L H <>S+ 0 0 7 -4,-1.8 5,-1.7 2,-0.2 6,-0.3 0.899 117.5 48.5 -68.7 -37.1 3.6 10.8 94.5 132 342 X K H ><>S+ 0 0 88 -4,-2.8 3,-2.4 4,-0.2 5,-1.8 0.998 114.7 43.5 -63.9 -63.7 0.1 9.2 94.5 133 343 X N H 3<5S+ 0 0 79 -4,-3.1 -78,-1.6 1,-0.3 -74,-0.2 0.719 104.8 65.9 -59.7 -22.0 0.5 7.4 97.9 134 344 X G T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.474 132.5 -74.0 -82.5 -2.3 2.1 10.5 99.4 135 345 X G T < 5S+ 0 0 3 -3,-2.4 -3,-0.2 -4,-0.2 -2,-0.2 0.164 110.3 92.8 139.0 -15.2 -1.1 12.6 99.1 136 346 X L T > < - 0 0 24 -5,-1.7 3,-2.0 -4,-0.4 -4,-0.2 0.746 56.0-179.9 -85.1 -19.0 -1.8 13.6 95.5 137 347 X G T >> S+ 0 0 80 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.568 123.2 78.3 -67.0 -14.5 -5.1 10.8 91.0 139 349 X V H <> S+ 0 0 0 -3,-2.0 4,-2.4 2,-0.2 -1,-0.3 0.928 91.7 55.8 -59.5 -39.6 -3.5 14.2 90.7 140 350 X S H <> S+ 0 0 0 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.938 105.0 49.8 -58.3 -46.2 -0.3 12.2 90.4 141 351 X D H X S+ 0 0 29 -4,-0.7 4,-2.6 1,-0.2 5,-0.3 0.931 110.4 50.9 -58.6 -36.5 -1.7 10.3 87.5 142 352 X A H X S+ 0 0 40 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.901 111.4 48.1 -66.9 -38.8 -2.8 13.6 85.8 143 353 X I H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 114.6 43.1 -68.8 -47.5 0.7 15.0 86.2 144 354 X F H X S+ 0 0 3 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.928 112.5 52.8 -63.3 -44.0 2.6 12.0 84.9 145 355 X D H X S+ 0 0 86 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.925 111.9 48.5 -62.1 -34.6 0.2 11.5 82.0 146 356 X L H X S+ 0 0 7 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.946 110.5 48.5 -64.7 -47.5 0.8 15.2 81.2 147 357 X G H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.910 110.2 52.4 -62.5 -43.4 4.6 14.9 81.4 148 358 X M H >< S+ 0 0 88 -4,-3.1 3,-0.9 1,-0.2 4,-0.4 0.934 112.9 45.7 -55.6 -46.3 4.6 11.9 79.2 149 359 X S H >< S+ 0 0 38 -4,-2.1 3,-1.0 -5,-0.3 -1,-0.2 0.868 107.7 55.7 -64.9 -37.4 2.5 13.8 76.7 150 360 X L H ><>S+ 0 0 8 -4,-2.1 3,-1.0 1,-0.3 5,-0.7 0.533 86.4 81.9 -75.4 -10.3 4.6 17.0 76.8 151 361 X S T <<5S+ 0 0 64 -3,-0.9 3,-0.5 -4,-0.7 -1,-0.3 0.777 91.3 48.0 -77.4 -22.9 7.7 15.2 75.9 152 362 X S T < 5S+ 0 0 73 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.430 98.7 70.5 -84.3 1.2 6.8 15.2 72.2 153 363 X F T < 5S- 0 0 17 -3,-1.0 -1,-0.2 -4,-0.1 -2,-0.2 0.643 89.6-152.3 -85.5 -11.6 6.0 18.9 72.5 154 364 X N T 5 - 0 0 119 -3,-0.5 -3,-0.1 -4,-0.4 -2,-0.1 0.899 20.5-168.0 43.2 51.6 9.7 19.4 72.9 155 365 X L < - 0 0 35 -5,-0.7 2,-0.2 4,-0.1 -1,-0.1 -0.394 7.0-153.3 -71.9 151.2 9.2 22.6 74.9 156 366 X D >> - 0 0 40 -2,-0.1 4,-2.0 0, 0.0 3,-0.7 -0.603 39.0 -85.9-109.9 179.7 12.0 25.0 75.7 157 367 X D H 3> S+ 0 0 81 1,-0.3 4,-1.3 -2,-0.2 -127,-0.1 0.743 126.0 51.8 -66.1 -25.7 12.4 27.4 78.5 158 368 X T H 3> S+ 0 0 16 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.822 108.3 49.5 -75.7 -36.4 10.5 30.1 76.8 159 369 X E H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.922 114.0 45.8 -71.6 -39.4 7.5 28.0 76.0 160 370 X V H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.908 113.9 51.3 -66.1 -38.7 7.3 26.7 79.6 161 371 X A H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.3 -2,-0.2 0.929 110.7 46.6 -72.1 -34.8 7.8 30.3 80.8 162 372 X L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.896 108.5 54.3 -75.9 -36.6 5.1 31.6 78.6 163 373 X L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.922 108.7 51.7 -55.9 -43.4 2.7 28.8 79.7 164 374 X Q H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.949 108.1 50.7 -63.7 -41.3 3.4 29.9 83.3 165 375 X A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.821 108.7 52.1 -64.9 -35.7 2.6 33.5 82.5 166 376 X V H < S+ 0 0 3 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.926 112.7 44.8 -64.2 -43.5 -0.7 32.5 80.8 167 377 X L H >< S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.946 111.5 53.2 -67.4 -43.2 -1.7 30.5 83.9 168 378 X L H 3< S+ 0 0 1 -4,-2.8 2,-1.8 1,-0.3 -2,-0.2 0.944 105.1 55.6 -55.3 -48.7 -0.6 33.3 86.2 169 379 X M T 3< S+ 0 0 0 -4,-2.3 2,-0.9 -5,-0.1 -1,-0.3 -0.304 71.2 149.3 -83.1 57.0 -2.7 36.0 84.4 170 380 X S X - 0 0 0 -2,-1.8 3,-1.1 -3,-0.6 13,-0.1 -0.787 28.9-168.3 -96.8 109.8 -6.0 34.2 84.7 171 381 X S T 3 S+ 0 0 33 -2,-0.9 -1,-0.1 1,-0.3 5,-0.1 0.509 74.7 73.1 -75.1 -0.8 -8.8 36.8 84.9 172 382 X D T 3 + 0 0 114 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.370 64.5 121.8 -98.5 11.7 -11.5 34.3 85.9 173 383 X R S X S- 0 0 29 -3,-1.1 3,-1.2 1,-0.1 2,-0.2 -0.427 73.3 -98.3 -76.6 148.8 -10.4 33.8 89.4 174 384 X P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.421 100.9 17.3 -71.3 130.6 -12.9 34.6 92.1 175 385 X G T 3 S+ 0 0 64 1,-0.3 -82,-0.1 -2,-0.2 2,-0.1 0.510 79.6 152.8 99.5 7.5 -12.7 38.0 93.8 176 386 X L < - 0 0 21 -3,-1.2 -1,-0.3 1,-0.1 3,-0.2 -0.414 28.2-167.5 -77.0 149.6 -10.4 39.7 91.3 177 387 X A S S+ 0 0 81 1,-0.1 2,-1.2 -90,-0.1 3,-0.2 0.889 81.2 49.2 -96.6 -54.9 -10.8 43.5 91.1 178 388 X C > + 0 0 34 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.365 66.2 149.9 -86.2 56.2 -8.8 44.2 87.9 179 389 X V H > + 0 0 72 -2,-1.2 4,-2.2 -3,-0.2 5,-0.2 0.946 69.6 45.8 -46.4 -60.7 -10.4 41.7 85.5 180 390 X E H > S+ 0 0 79 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.895 113.2 51.3 -67.8 -30.2 -10.1 43.5 82.2 181 391 X R H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 107.9 51.0 -70.1 -40.4 -6.5 44.5 82.9 182 392 X I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 110.7 50.7 -59.1 -39.1 -5.5 40.9 83.7 183 393 X E H X S+ 0 0 26 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.897 107.0 53.4 -64.8 -43.8 -7.1 39.8 80.4 184 394 X K H X S+ 0 0 60 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.944 110.3 46.9 -58.1 -38.4 -5.2 42.4 78.5 185 395 X Y H X S+ 0 0 31 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.952 112.7 50.9 -73.4 -40.1 -2.0 41.1 80.0 186 396 X Q H >X S+ 0 0 28 -4,-2.4 4,-3.1 2,-0.2 3,-0.7 0.964 108.9 49.2 -51.1 -58.8 -3.0 37.5 79.2 187 397 X D H 3X S+ 0 0 98 -4,-3.0 4,-2.5 1,-0.3 5,-0.3 0.910 108.4 55.3 -55.6 -36.4 -3.8 38.3 75.6 188 398 X S H 3X S+ 0 0 40 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.3 0.912 110.8 44.1 -65.1 -37.1 -0.5 40.0 75.4 189 399 X F H S+ 0 0 10 -4,-2.1 4,-1.6 2,-0.2 5,-0.5 0.870 105.4 55.6 -68.1 -34.9 5.7 29.1 68.3 198 408 X N H <5S+ 0 0 18 -4,-2.3 -2,-0.2 -185,-0.3 -1,-0.2 0.913 109.0 48.8 -58.5 -42.6 5.5 30.2 64.6 199 409 X Y H <5S+ 0 0 107 -4,-1.9 -1,-0.2 -186,-0.2 -2,-0.2 0.808 107.8 55.2 -64.5 -31.5 9.1 31.1 64.9 200 410 X R H <5S- 0 0 79 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.832 88.0-153.9 -76.5 -30.5 9.9 27.8 66.5 201 411 X K T <5 - 0 0 132 -4,-1.6 -3,-0.1 -5,-0.1 -2,-0.1 0.960 13.5-161.2 55.8 51.8 8.4 25.8 63.6 202 412 X H < - 0 0 33 -5,-0.5 2,-0.9 1,-0.1 5,-0.1 -0.332 21.4-123.2 -51.3 147.8 7.6 22.7 65.7 203 413 X H S S+ 0 0 185 2,-0.1 2,-0.4 4,-0.0 -1,-0.1 -0.372 75.9 106.4-102.3 60.9 7.1 19.6 63.6 204 414 X V S > S- 0 0 52 -2,-0.9 3,-1.0 -51,-0.1 2,-0.2 -0.997 73.4-116.9-144.5 127.9 3.7 18.9 64.9 205 415 X T T 3 S- 0 0 95 -2,-0.4 5,-0.1 1,-0.3 -2,-0.1 -0.456 96.6 -1.2 -67.6 136.3 0.4 19.4 63.2 206 416 X H T 3> S+ 0 0 140 -2,-0.2 4,-1.4 1,-0.1 -1,-0.3 0.861 79.0 165.9 52.6 46.4 -1.8 21.9 64.9 207 417 X F H <> + 0 0 11 -3,-1.0 4,-2.8 1,-0.2 3,-0.3 0.924 64.5 56.5 -62.0 -47.8 0.7 22.6 67.8 208 418 X W H > S+ 0 0 39 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.923 108.9 42.6 -54.6 -58.5 -0.9 25.8 69.1 209 419 X P H > S+ 0 0 59 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.787 114.5 53.9 -61.0 -29.7 -4.4 24.4 69.8 210 420 X K H X S+ 0 0 69 -4,-1.4 4,-0.9 -3,-0.3 -2,-0.2 0.867 107.1 48.7 -67.5 -43.6 -2.8 21.4 71.3 211 421 X L H >X S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 4,-0.9 0.952 108.3 55.5 -66.2 -43.9 -0.7 23.4 73.6 212 422 X L H 3X S+ 0 0 68 -4,-2.4 4,-1.4 1,-0.3 3,-0.2 0.801 99.5 60.3 -54.8 -34.7 -3.9 25.4 74.7 213 423 X M H 3X S+ 0 0 107 -4,-1.2 4,-1.6 1,-0.2 -1,-0.3 0.845 99.4 57.3 -61.4 -31.3 -5.5 22.2 75.6 214 424 X K H S+ 0 0 83 3,-0.0 3,-1.7 0, 0.0 -2,-0.1 0.017 111.0 65.8-129.8 -25.2 -2.4 20.0 110.5 239 449 X E T 3 S+ 0 0 104 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.621 90.3 66.7 -75.6 -11.7 1.1 20.1 112.1 240 450 X L T 3 S+ 0 0 32 1,-0.1 -1,-0.3 2,-0.1 -4,-0.0 0.612 87.2 87.5 -80.1 -9.8 2.4 18.1 109.2 241 451 X F S < S- 0 0 10 -3,-1.7 5,-0.1 2,-0.0 -1,-0.1 -0.805 77.9-129.4-105.3 115.9 1.7 21.1 106.9 242 452 X P > - 0 0 22 0, 0.0 4,-1.7 0, 0.0 3,-0.1 -0.141 26.9-117.4 -59.6 146.9 4.2 24.0 106.4 243 453 X P H > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.676 113.0 53.3 -65.0 -26.6 2.6 27.4 106.9 244 454 X L H > S+ 0 0 47 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.900 106.5 54.5 -71.8 -40.3 3.1 28.7 103.3 245 455 X F H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 110.7 47.5 -50.2 -47.2 1.3 25.5 102.1 246 456 X L H X S+ 0 0 43 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.888 110.3 49.1 -68.9 -42.3 -1.6 26.4 104.3 247 457 X E H < S+ 0 0 145 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.820 114.1 45.0 -71.4 -31.6 -1.8 30.0 103.3 248 458 X V H < S+ 0 0 19 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.919 123.5 35.0 -75.5 -41.7 -1.7 29.3 99.5 249 459 X F H < 0 0 30 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.556 360.0 360.0 -99.3 -11.1 -4.2 26.4 99.7 250 460 X E < 0 0 97 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.409 360.0 360.0 114.5 360.0 -6.6 27.6 102.6