==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 04-SEP-09 3IXP . COMPND 2 MOLECULE: GENE REGULATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIOTHIS VIRESCENS; . AUTHOR D.MORAS,I.M.L.BILLAS,C.BROWNING . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 78.6 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 . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 0 0 4 2 0 0 1 0 2 0 2 1 0 1 0 0 0 2 2 1 1 0 0 0 0 0 1 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 . 1 1 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 . 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 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 1 206 A Q 0 0 106 0, 0.0 63,-0.0 0, 0.0 172,-0.0 0.000 360.0 360.0 360.0 -49.2 -2.9 68.9 52.3 2 207 A E + 0 0 137 2,-0.0 2,-0.3 5,-0.0 5,-0.2 0.547 360.0 107.1-103.2 -19.0 -6.2 67.1 52.9 3 208 A L + 0 0 1 59,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.484 48.4 144.7 -63.9 120.0 -5.9 65.2 49.6 4 209 A S > - 0 0 25 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.988 62.6-113.8-156.1 161.0 -5.1 61.6 50.6 5 210 A I H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.906 116.4 56.5 -65.2 -39.6 -5.6 58.0 49.5 6 211 A E H > S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.922 110.9 43.6 -58.0 -44.4 -7.6 57.4 52.7 7 212 A R H >> S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.931 112.3 50.4 -67.8 -47.4 -10.0 60.2 51.9 8 213 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.862 106.0 60.6 -57.7 -35.4 -10.4 59.3 48.2 9 214 A L H 3< S+ 0 0 50 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.839 106.6 43.1 -63.1 -36.1 -11.2 55.8 49.4 10 215 A E H XX S+ 0 0 106 -4,-1.1 3,-0.8 -3,-0.7 4,-0.7 0.826 109.4 56.7 -82.2 -28.8 -14.2 56.9 51.4 11 216 A M H >< S+ 0 0 10 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.950 96.4 65.5 -61.9 -46.8 -15.4 59.2 48.7 12 217 A E T 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.768 99.8 54.5 -43.1 -32.2 -15.4 56.1 46.4 13 218 A S T <4 S+ 0 0 90 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.766 85.7 97.2 -77.0 -30.6 -18.2 54.8 48.7 14 219 A L S << S- 0 0 65 -3,-2.1 2,-0.4 -4,-0.7 44,-0.0 -0.235 71.2-129.5 -60.6 152.1 -20.5 57.8 48.4 15 220 A V - 0 0 90 228,-1.5 228,-0.7 226,-0.1 -1,-0.1 -0.913 12.8-120.7-113.2 131.0 -23.4 57.5 45.9 16 221 A A - 0 0 24 -2,-0.4 3,-0.2 226,-0.2 38,-0.1 -0.374 35.6-111.9 -65.4 139.7 -24.3 60.0 43.2 17 222 A D - 0 0 42 223,-0.6 2,-0.6 1,-0.2 3,-0.4 -0.460 65.7 -50.1 -74.9 148.7 -27.9 61.4 43.5 18 223 A P S S- 0 0 133 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.272 81.9-107.1 -16.5 59.2 -30.5 60.4 40.8 19 224 A S - 0 0 15 -2,-0.6 2,-1.3 1,-0.2 34,-0.1 0.505 24.4-132.4 -0.7 89.0 -28.2 61.5 38.0 20 225 A E - 0 0 88 -3,-0.4 -1,-0.2 1,-0.1 219,-0.1 -0.395 40.5-111.4 -59.5 93.8 -29.6 64.7 36.6 21 226 A E - 0 0 116 -2,-1.3 2,-0.4 -3,-0.3 -1,-0.1 0.117 40.9-180.0 -35.8 127.1 -29.3 63.6 33.0 22 227 A F - 0 0 25 27,-0.1 2,-2.2 3,-0.1 3,-0.4 -0.988 29.1-130.3-135.1 122.2 -26.8 65.4 30.7 23 228 A Q + 0 0 92 -2,-0.4 204,-0.1 1,-0.2 3,-0.1 -0.271 54.7 138.5 -72.5 56.3 -26.5 64.4 27.0 24 229 A F S S+ 0 0 0 -2,-2.2 200,-1.7 1,-0.2 2,-0.4 0.926 79.3 27.0 -62.9 -44.1 -22.7 63.9 26.8 25 230 A L B S+A 223 0A 14 -3,-0.4 2,-0.3 20,-0.3 198,-0.2 -0.944 78.3 138.0-119.9 140.7 -23.3 60.8 24.7 26 231 A R - 0 0 69 196,-2.4 2,-0.7 -2,-0.4 16,-0.1 -0.941 52.7-110.1-174.4 152.8 -26.4 60.1 22.5 27 232 A V - 0 0 28 -2,-0.3 195,-0.1 11,-0.1 194,-0.1 -0.855 51.4-176.0 -92.8 118.9 -27.4 58.7 19.1 28 233 A G - 0 0 18 193,-0.7 3,-0.2 -2,-0.7 -1,-0.0 -0.247 30.5 -43.5-105.2-165.4 -28.6 61.7 17.2 29 234 A P S S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.182 117.4 8.1 -57.3 150.3 -30.1 62.7 13.9 30 235 A D S S+ 0 0 160 1,-0.1 2,-0.4 -3,-0.1 -2,-0.1 0.900 84.8 173.3 36.5 80.4 -28.7 61.0 10.8 31 236 A S - 0 0 12 2,-0.2 -1,-0.1 -3,-0.2 190,-0.1 -0.900 41.0-135.8-116.2 145.6 -26.5 58.5 12.4 32 237 A N S S+ 0 0 67 -2,-0.4 189,-0.1 187,-0.2 188,-0.1 0.274 74.2 113.2 -81.9 12.8 -24.6 55.7 10.6 33 238 A V S S- 0 0 9 187,-0.2 5,-0.2 1,-0.1 -2,-0.2 -0.781 81.6-111.1 -86.2 109.7 -25.7 53.3 13.4 34 239 A P > - 0 0 66 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.083 26.9-112.3 -44.7 133.2 -28.1 50.9 11.6 35 240 A P G >> S+ 0 0 104 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.786 111.9 58.9 -31.8 -59.3 -31.7 51.3 12.7 36 241 A K G 34 S+ 0 0 171 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.486 110.8 45.7 -60.0 -0.4 -32.2 48.0 14.5 37 242 A F G <> S+ 0 0 93 -3,-2.6 4,-2.6 -4,-0.1 -1,-0.3 0.483 83.3 87.2-122.7 -4.6 -29.4 49.0 16.8 38 243 A R H <> S+ 0 0 78 -3,-1.6 4,-3.8 -4,-0.5 5,-0.3 0.958 86.7 57.2 -61.2 -49.5 -30.1 52.6 17.8 39 244 A A H X S+ 0 0 72 -4,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.936 113.8 38.2 -45.6 -58.5 -32.3 51.5 20.7 40 245 A P H >> S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.967 117.7 49.2 -57.6 -56.6 -29.5 49.5 22.3 41 246 A V H 3X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.891 110.9 51.9 -49.1 -45.2 -26.7 51.9 21.4 42 247 A S H 3X S+ 0 0 48 -4,-3.8 4,-2.2 -5,-0.2 -1,-0.3 0.834 107.0 51.5 -64.0 -35.1 -28.8 54.7 22.8 43 248 A S H < S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.906 105.7 59.6 -53.8 -43.9 -14.3 65.2 41.0 60 265 A R H 3< S+ 0 0 35 -4,-1.6 6,-0.7 1,-0.3 -1,-0.2 0.933 105.8 44.3 -51.9 -56.3 -16.1 68.1 42.7 61 266 A D T 3< S+ 0 0 63 -4,-1.4 -1,-0.3 4,-0.1 -2,-0.2 0.408 84.2 121.7 -73.9 4.3 -15.8 66.8 46.3 62 267 A I S X> S- 0 0 3 -3,-1.6 3,-3.0 -4,-0.4 4,-0.6 -0.561 82.7 -88.4 -71.7 125.4 -12.1 65.9 45.7 63 268 A P T 34 S- 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.040 106.7 -7.5 -34.4 125.1 -10.0 67.8 48.3 64 269 A H T >4 S+ 0 0 49 1,-0.1 3,-0.8 -3,-0.1 4,-0.2 0.269 103.4 111.5 67.0 -11.5 -9.0 71.2 46.9 65 270 A F G X4 S+ 0 0 0 -3,-3.0 3,-2.0 1,-0.3 -4,-0.1 0.959 80.4 43.9 -56.7 -52.8 -10.4 70.4 43.5 66 271 A S G 3< S+ 0 0 53 -6,-0.7 -1,-0.3 -4,-0.6 4,-0.1 0.575 101.2 69.9 -69.9 -8.7 -13.3 72.9 43.8 67 272 A Q G < S+ 0 0 119 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.477 85.8 94.1 -83.2 -3.5 -10.8 75.4 45.2 68 273 A L S < S- 0 0 10 -3,-2.0 2,-0.1 -4,-0.2 -4,-0.0 -0.408 97.3 -82.5 -82.3 164.4 -9.4 75.4 41.6 69 274 A E >> - 0 0 75 1,-0.1 4,-2.4 -2,-0.1 3,-0.5 -0.423 38.2-123.3 -66.5 141.7 -10.6 78.0 39.1 70 275 A M H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.875 110.6 59.5 -55.4 -40.9 -13.9 77.0 37.5 71 276 A E H 3> S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 111.2 42.2 -53.2 -45.0 -12.3 77.2 34.0 72 277 A D H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.908 106.4 58.8 -70.6 -44.7 -9.8 74.5 35.1 73 278 A Q H X S+ 0 0 11 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.882 112.7 44.8 -50.3 -38.7 -12.3 72.3 37.0 74 279 A I H X S+ 0 0 26 -4,-2.0 4,-3.3 -5,-0.2 5,-0.2 0.980 111.6 48.1 -69.3 -60.2 -14.1 72.1 33.6 75 280 A L H X S+ 0 0 44 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.826 111.6 53.2 -51.4 -37.6 -11.1 71.5 31.3 76 281 A L H X S+ 0 0 1 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.949 113.9 38.3 -65.2 -52.1 -9.8 68.8 33.7 77 282 A I H X S+ 0 0 4 -4,-1.5 4,-2.0 -5,-0.3 3,-0.5 0.918 114.7 57.7 -65.5 -40.8 -13.1 66.7 33.8 78 283 A K H < S+ 0 0 70 -4,-3.3 4,-0.3 1,-0.2 -2,-0.2 0.896 110.6 42.4 -55.6 -42.3 -13.5 67.5 30.1 79 284 A G H < S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.671 123.2 33.9 -82.9 -15.8 -10.2 66.0 29.3 80 285 A S H X S+ 0 0 4 -4,-1.3 4,-2.3 -3,-0.5 5,-0.2 0.483 83.6 95.1-118.5 -3.7 -10.3 62.9 31.5 81 286 A W H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 5,-0.1 0.917 89.7 49.5 -57.3 -43.1 -14.0 61.7 31.7 82 287 A N H > S+ 0 0 9 -4,-0.3 4,-2.2 1,-0.2 3,-0.4 0.957 111.5 46.5 -61.5 -52.0 -13.5 59.2 28.9 83 288 A E H > S+ 0 0 14 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.872 111.8 54.1 -59.0 -34.2 -10.3 57.6 30.3 84 289 A L H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.836 106.9 49.7 -70.8 -31.4 -12.1 57.4 33.7 85 290 A L H X S+ 0 0 25 -4,-1.8 4,-2.8 -3,-0.4 -2,-0.2 0.983 114.1 45.1 -67.6 -55.8 -15.1 55.5 32.3 86 291 A L H X S+ 0 0 18 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.879 112.0 51.5 -53.1 -43.4 -12.8 53.0 30.6 87 292 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.912 113.1 46.5 -62.6 -39.7 -10.6 52.7 33.7 88 293 A A H X S+ 0 0 14 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.866 110.2 52.7 -70.3 -36.7 -13.8 52.0 35.7 89 294 A I H X S+ 0 0 19 -4,-2.8 4,-2.4 1,-0.2 17,-0.4 0.967 111.8 46.6 -62.9 -47.6 -15.0 49.6 33.2 90 295 A A H X S+ 0 0 0 -4,-3.1 4,-0.7 2,-0.2 -2,-0.2 0.850 112.3 49.1 -62.5 -37.5 -11.7 47.7 33.4 91 296 A W H >< S+ 0 0 55 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.966 115.4 44.3 -64.7 -49.8 -11.7 47.7 37.2 92 297 A R H >< S+ 0 0 61 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.805 107.8 61.0 -61.9 -33.9 -15.3 46.5 37.3 93 298 A S H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.611 80.9 82.1 -72.4 -16.3 -14.5 43.9 34.5 94 299 A M G X< S+ 0 0 40 -3,-1.1 3,-1.6 -4,-0.7 -1,-0.2 0.862 81.5 64.5 -58.5 -37.5 -11.9 42.0 36.6 95 300 A E G < S+ 0 0 171 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.755 99.8 53.9 -57.2 -26.4 -14.6 40.0 38.4 96 301 A F G < S+ 0 0 78 -3,-1.3 8,-0.5 -4,-0.2 7,-0.4 0.043 83.6 126.2 -99.1 25.7 -15.6 38.4 35.1 97 302 A L < 0 0 19 -3,-1.6 -3,-0.0 1,-0.1 8,-0.0 -0.567 360.0 360.0 -89.4 150.5 -12.1 37.1 34.1 98 303 A T 0 0 162 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.503 360.0 360.0 96.1 360.0 -11.1 33.5 33.2 99 ! 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 0.0 100 318 A S 0 0 117 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.3 -9.7 31.9 24.8 101 319 A P - 0 0 63 0, 0.0 27,-0.0 0, 0.0 31,-0.0 -0.143 360.0 -70.6 -68.6 167.4 -9.6 35.6 25.6 102 320 A P - 0 0 26 0, 0.0 -5,-0.1 0, 0.0 29,-0.1 -0.228 45.2-166.8 -55.0 152.3 -11.8 37.2 28.3 103 321 A Q + 0 0 69 -7,-0.4 12,-2.6 1,-0.1 2,-0.5 0.599 57.9 69.6-119.3 -17.1 -15.4 37.3 27.0 104 322 A L E -B 114 0B 54 -8,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.904 49.1-174.5-115.0 130.9 -17.2 39.6 29.4 105 323 A M E -B 113 0B 17 8,-2.7 8,-4.0 -2,-0.5 2,-0.8 -0.968 19.6-143.3-116.2 131.2 -16.9 43.4 29.9 106 324 A C E + 0 0 4 -2,-0.4 6,-0.2 -17,-0.4 -13,-0.2 -0.810 22.4 174.0-100.5 101.0 -18.8 45.0 32.8 107 325 A L E S- 0 0 21 -2,-0.8 5,-0.2 4,-0.3 -1,-0.2 0.685 74.7 -13.6 -76.6 -17.7 -20.2 48.4 31.8 108 326 A M E > S-B 111 0B 50 3,-1.4 3,-0.9 -19,-0.1 -1,-0.2 -0.944 95.5 -60.5-174.8 158.3 -22.1 48.6 35.1 109 327 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.222 125.1 9.2 -50.3 127.3 -23.2 46.4 38.1 110 328 A G T 3 S+ 0 0 87 1,-0.1 2,-0.3 -4,-0.0 -4,-0.0 0.941 115.6 93.3 65.3 45.2 -25.4 43.7 36.7 111 329 A M E < +B 108 0B 56 -3,-0.9 -3,-1.4 2,-0.0 -4,-0.3 -0.793 47.5 173.2-169.8 122.0 -24.6 44.6 33.1 112 330 A T E - 0 0 55 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.988 25.7-136.4-139.5 147.6 -22.0 43.2 30.8 113 331 A L E -B 105 0B 36 -8,-4.0 -8,-2.7 -2,-0.3 2,-0.4 -0.806 25.3-137.1 -97.9 137.8 -21.0 43.5 27.2 114 332 A H E >> -B 104 0B 72 -2,-0.4 4,-1.7 -10,-0.2 3,-1.4 -0.834 15.9-123.5-100.6 141.3 -20.2 40.2 25.5 115 333 A R H 3> S+ 0 0 54 -12,-2.6 4,-2.9 -2,-0.4 5,-0.1 0.836 111.3 59.2 -47.0 -40.0 -17.2 40.1 23.2 116 334 A N H 3> S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.875 102.8 50.9 -61.6 -36.6 -19.4 38.9 20.4 117 335 A S H <> S+ 0 0 60 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.902 110.8 50.5 -66.3 -36.8 -21.5 42.0 20.6 118 336 A A H X>S+ 0 0 1 -4,-1.7 5,-2.1 2,-0.2 4,-0.6 0.925 109.3 51.5 -64.1 -43.7 -18.2 43.9 20.4 119 337 A L H ><5S+ 0 0 69 -4,-2.9 3,-1.8 1,-0.2 5,-0.3 0.951 111.0 45.7 -57.4 -53.5 -17.2 41.9 17.3 120 338 A Q H 3<5S+ 0 0 154 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.7 56.8 -58.8 -34.3 -20.5 42.6 15.5 121 339 A A H 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.603 113.4-122.0 -72.7 -11.7 -20.0 46.3 16.6 122 340 A G T <<5S+ 0 0 57 -3,-1.8 3,-0.2 -4,-0.6 -3,-0.2 0.532 87.6 108.6 81.0 6.7 -16.7 46.3 14.8 123 341 A V >< + 0 0 35 -5,-2.1 4,-1.8 -6,-0.2 -4,-0.2 -0.043 32.7 126.1-104.8 29.5 -15.0 47.2 18.1 124 342 A G H > + 0 0 10 -6,-0.4 4,-1.9 -5,-0.3 -1,-0.2 0.901 69.5 47.9 -53.8 -52.3 -13.4 43.9 18.8 125 343 A Q H > S+ 0 0 141 -3,-0.2 4,-3.1 2,-0.2 3,-0.3 0.950 111.7 47.4 -57.7 -54.8 -9.8 45.1 19.3 126 344 A I H > S+ 0 0 16 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.882 110.8 54.2 -55.7 -38.4 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-50.1 -47.5 27.2 56.4 30.7 258 300 D R H X S+ 0 0 113 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.951 113.5 42.9 -57.9 -52.4 26.5 54.3 27.7 259 301 D L H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 112.7 50.0 -63.1 -48.6 23.2 56.0 26.8 260 302 D V H X S+ 0 0 34 -4,-3.1 4,-1.2 -5,-0.2 -1,-0.2 0.886 111.3 54.1 -58.2 -35.1 24.3 59.5 27.5 261 303 D Y H X S+ 0 0 159 -4,-2.1 4,-1.0 -5,-0.3 -2,-0.2 0.933 112.2 39.3 -64.5 -49.9 27.3 58.8 25.3 262 304 D Y H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.758 105.0 67.1 -75.5 -22.9 25.4 57.6 22.2 263 305 D Q H >< S+ 0 0 24 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.932 100.0 50.8 -62.6 -44.0 22.6 60.2 22.5 264 306 D E H >< S+ 0 0 131 -4,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.911 105.0 57.4 -58.2 -43.2 25.1 62.9 21.7 265 307 D G T 3< S+ 0 0 59 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.219 108.8 47.7 -74.7 18.0 26.3 61.0 18.7 266 308 D Y T < S+ 0 0 54 -3,-1.7 -1,-0.3 22,-0.0 -2,-0.2 0.128 72.8 123.4-142.2 19.0 22.7 61.0 17.4 267 309 D E < 0 0 116 -3,-1.5 -2,-0.1 1,-0.1 18,-0.1 0.940 360.0 360.0 -45.4 -89.3 21.6 64.6 17.8 268 310 D Q 0 0 82 17,-0.0 -1,-0.1 66,-0.0 66,-0.1 -0.723 360.0 360.0-134.9 360.0 20.5 65.7 14.3 269 ! 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 0.0 270 334 D M > 0 0 104 0, 0.0 4,-1.0 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 -47.9 8.5 72.2 -1.6 271 335 D P H >> + 0 0 27 0, 0.0 3,-1.9 0, 0.0 4,-0.9 0.996 360.0 48.6 -66.0 -61.2 8.2 72.7 2.2 272 336 D F H 3> S+ 0 0 25 1,-0.3 4,-1.7 74,-0.2 5,-0.2 0.772 102.9 67.2 -46.6 -31.6 6.7 69.3 3.0 273 337 D R H 3> S+ 0 0 184 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.902 102.0 45.8 -59.0 -43.4 9.5 67.9 0.8 274 338 D Q H XX S+ 0 0 58 -3,-1.9 3,-3.1 -4,-1.0 4,-1.7 0.993 111.1 48.5 -61.5 -77.5 12.1 69.0 3.4 275 339 D I H 3X S+ 0 0 8 -4,-0.9 4,-3.0 1,-0.3 5,-0.3 0.808 107.5 54.9 -24.9 -73.5 10.3 67.8 6.6 276 340 D T H 3X S+ 0 0 4 -4,-1.7 4,-1.0 1,-0.2 -1,-0.3 0.728 113.2 44.3 -38.9 -32.5 9.6 64.3 5.2 277 341 D E H X S+ 0 0 97 -4,-1.8 4,-1.5 2,-0.2 3,-0.7 0.968 115.2 39.2 -58.1 -54.4 17.2 61.0 8.9 282 346 D T H 3X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.3 3,-0.2 0.910 109.6 60.1 -62.9 -42.1 16.3 61.3 12.6 283 347 D V H 3X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.3 -1,-0.3 0.793 107.2 49.4 -56.0 -25.0 14.0 58.3 12.4 284 348 D Q H < S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 6,-0.2 0.949 107.7 50.9 -62.9 -52.7 17.3 51.6 19.7 291 355 D K H 3< S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 108.0 54.2 -57.4 -31.8 19.3 48.7 18.1 292 356 D G T 3< S+ 0 0 41 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.234 84.9 115.0 -88.1 16.4 22.3 49.6 20.3 293 357 D L S X S- 0 0 6 -3,-2.1 3,-3.1 -5,-0.1 4,-0.3 -0.762 80.1-108.2 -92.4 118.6 20.1 49.4 23.4 294 358 D P T 3 S+ 0 0 44 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.192 108.1 25.3 -45.2 114.6 21.0 46.7 25.9 295 359 D G T 3> S+ 0 0 12 -4,-0.1 4,-0.6 4,-0.0 3,-0.2 0.019 86.1 105.1 118.0 -26.0 18.2 44.2 25.5 296 360 D F T X4 S+ 0 0 4 -3,-3.1 3,-0.6 -6,-0.2 -5,-0.1 0.835 83.8 51.8 -55.9 -32.1 17.0 45.0 22.0 297 361 D S T 34 S+ 0 0 100 -4,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.897 93.4 67.3 -73.0 -41.9 18.7 41.7 20.9 298 362 D K T 34 S+ 0 0 156 -3,-0.2 2,-0.3 95,-0.0 -1,-0.2 0.722 93.4 90.5 -52.1 -17.0 17.1 39.5 23.5 299 363 D I S << S- 0 0 3 -4,-0.6 5,-0.1 -3,-0.6 -4,-0.0 -0.610 86.7-100.9 -94.4 144.8 13.9 40.2 21.5 300 364 D S > - 0 0 29 -2,-0.3 4,-0.9 1,-0.1 -1,-0.1 0.037 33.3-116.2 -47.0 157.9 12.3 38.5 18.5 301 365 D Q H > S+ 0 0 133 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.883 113.7 46.4 -71.9 -39.0 12.8 40.0 15.1 302 366 D S H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.788 108.9 56.9 -73.8 -27.1 9.1 40.9 14.4 303 367 D D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.753 101.1 57.2 -74.1 -24.3 8.8 42.4 17.9 304 368 D Q H X S+ 0 0 36 -4,-0.9 4,-3.2 2,-0.2 5,-0.2 0.928 108.2 46.4 -69.5 -43.0 11.7 44.8 17.1 305 369 D I H X S+ 0 0 95 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.833 109.5 55.8 -65.5 -33.7 9.7 46.0 14.1 306 370 D T H X S+ 0 0 30 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.923 114.6 38.7 -64.7 -43.9 6.7 46.3 16.4 307 371 D L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.944 115.6 49.6 -72.1 -50.9 8.6 48.5 18.8 308 372 D L H X S+ 0 0 21 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.873 112.6 49.6 -57.9 -38.0 10.6 50.6 16.2 309 373 D K H < S+ 0 0 57 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.926 117.3 38.5 -67.2 -46.4 7.4 51.3 14.3 310 374 D A H X S+ 0 0 34 -4,-1.6 4,-0.6 -5,-0.2 3,-0.2 0.826 118.5 45.7 -76.0 -34.3 5.3 52.4 17.3 311 375 D C H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.4 0.708 92.0 85.2 -83.3 -19.2 8.1 54.3 19.2 312 376 D S H X S+ 0 0 1 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.888 96.1 35.3 -49.6 -52.5 9.3 56.2 16.1 313 377 D S H > S+ 0 0 10 -4,-0.5 4,-2.2 -3,-0.2 -1,-0.2 0.924 118.0 52.5 -71.7 -42.6 6.8 59.1 16.2 314 378 D E H X S+ 0 0 11 -4,-0.6 4,-1.5 1,-0.2 3,-0.2 0.954 112.8 42.9 -58.8 -49.5 6.7 59.3 20.0 315 379 D V H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.811 108.7 60.8 -67.8 -25.6 10.5 59.5 20.3 316 380 D M H X S+ 0 0 13 -4,-1.3 4,-2.4 -5,-0.4 -1,-0.2 0.918 102.1 52.5 -62.3 -44.3 10.4 61.9 17.4 317 381 D M H X S+ 0 0 29 -4,-2.2 4,-2.7 -3,-0.2 -1,-0.2 0.889 108.6 50.9 -57.8 -42.4 8.3 64.2 19.5 318 382 D L H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 -2,-0.2 0.945 107.6 52.4 -62.2 -49.1 10.8 64.0 22.3 319 383 D R H X S+ 0 0 27 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.951 114.8 40.9 -52.1 -57.2 13.7 64.9 20.0 320 384 D V H >< S+ 0 0 13 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.969 115.3 50.6 -57.7 -53.9 12.0 68.0 18.7 321 385 D A H >< S+ 0 0 5 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.904 101.4 64.0 -51.0 -44.0 10.7 69.0 22.1 322 386 D R H 3< S+ 0 0 78 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.686 99.5 54.9 -55.5 -19.9 14.2 68.5 23.5 323 387 D R T << S+ 0 0 96 -3,-2.3 9,-1.9 -4,-0.6 2,-0.5 -0.118 76.1 136.5-107.1 36.7 15.4 71.4 21.4 324 388 D Y E < -C 331 0C 29 -3,-1.5 2,-0.6 7,-0.2 7,-0.2 -0.719 44.4-146.6 -88.4 126.5 12.9 74.0 22.6 325 389 D D E >> -C 330 0C 55 5,-3.0 5,-1.3 -2,-0.5 4,-0.6 -0.810 5.0-161.5 -95.4 119.8 14.3 77.5 23.2 326 390 D A T >45S+ 0 0 42 -2,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.920 87.0 56.0 -63.2 -45.4 12.6 79.3 26.1 327 391 D A T 345S+ 0 0 96 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.877 121.1 27.8 -54.2 -47.3 13.8 82.8 25.1 328 392 D T T 345S- 0 0 81 2,-0.2 -1,-0.3 -3,-0.0 -2,-0.2 0.335 102.1-134.4 -98.6 4.4 12.4 82.7 21.5 329 393 D D T <<5 + 0 0 52 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.881 69.3 86.9 39.1 60.6 9.6 80.2 22.5 330 394 D S E S- 0 0 5 -2,-1.3 3,-0.6 1,-0.2 5,-0.1 -0.363 84.9 -75.4 -87.5 53.2 16.5 72.3 15.8 334 398 D A T 3 S- 0 0 83 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.765 77.4-108.4 55.2 20.4 19.6 73.7 14.2 335 399 D N T 3 - 0 0 69 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.709 48.1-178.3 17.6 80.5 16.7 75.1 12.2 336 400 D N < - 0 0 79 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.277 57.1-113.0 -76.1 13.3 16.7 73.3 8.9 337 401 D Q S S+ 0 0 84 1,-0.1 3,-0.2 2,-0.1 6,-0.2 0.727 101.5 102.2 59.8 19.6 13.8 75.7 8.6 338 402 D A S S+ 0 0 0 -5,-0.1 2,-0.2 1,-0.1 -63,-0.1 0.822 75.9 41.3 -98.6 -43.7 11.9 72.4 8.5 339 403 D Y S S+ 0 0 17 -6,-0.1 2,-0.3 -8,-0.1 -8,-0.3 -0.249 94.6 111.1-101.3 45.2 10.5 72.2 12.1 340 404 D T S > S- 0 0 29 -3,-0.2 4,-2.3 -2,-0.2 5,-0.3 -0.865 81.8-111.2-117.8 152.2 9.6 75.9 12.2 341 405 D R H > S+ 0 0 67 -2,-0.3 4,-0.8 1,-0.2 5,-0.1 0.894 116.1 53.6 -45.3 -46.4 6.2 77.6 12.3 342 406 D D H >> S+ 0 0 78 2,-0.2 4,-3.2 1,-0.2 3,-1.9 0.965 108.2 42.9 -56.0 -64.6 6.8 78.9 8.8 343 407 D N H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.887 112.5 55.5 -51.8 -42.2 7.7 75.8 6.9 344 408 D Y H 3< S+ 0 0 42 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.712 112.5 44.2 -64.4 -19.2 4.9 73.9 8.7 345 409 D R H X< S+ 0 0 131 -3,-1.9 3,-2.3 -4,-0.8 -2,-0.2 0.886 112.1 48.9 -87.4 -49.0 2.6 76.7 7.3 346 410 D K H 3< S+ 0 0 122 -4,-3.2 -74,-0.2 1,-0.3 -2,-0.2 0.745 113.5 51.4 -60.6 -21.8 4.2 76.7 3.9 347 411 D A T 3< S- 0 0 23 -4,-2.0 2,-0.9 -5,-0.4 -1,-0.3 0.446 114.0-123.7 -93.5 -3.5 3.6 72.9 4.1 348 412 D G S < S+ 0 0 52 -3,-2.3 2,-2.8 -5,-0.2 3,-0.5 -0.380 87.5 99.6 95.0 -56.6 0.0 73.4 5.1 349 413 D M + 0 0 19 -2,-0.9 -1,-0.1 1,-0.2 -3,-0.1 -0.347 39.3 126.8 -66.0 71.1 0.1 71.5 8.4 350 414 D A >> + 0 0 27 -2,-2.8 3,-1.6 -5,-0.2 4,-0.5 0.701 56.5 72.3-100.2 -25.5 0.4 74.6 10.6 351 415 D Y H >> S+ 0 0 151 -3,-0.5 3,-0.8 1,-0.3 4,-0.6 0.915 91.4 61.2 -54.2 -42.0 -2.5 73.8 12.8 352 416 D V H 3> S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.696 84.8 81.0 -57.8 -23.4 -0.4 71.1 14.4 353 417 D I H <> S+ 0 0 15 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 0.908 87.6 50.7 -53.3 -52.6 2.2 73.6 15.6 354 418 D E H < S+ 0 0 12 -4,-3.8 3,-2.0 1,-0.2 4,-0.5 0.946 109.5 57.3 -68.1 -43.3 8.3 69.1 28.7 364 428 D Y H >< S+ 0 0 109 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.876 98.8 61.0 -51.0 -43.3 10.8 72.0 29.0 365 429 D S T 3< S+ 0 0 52 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.641 90.7 69.4 -62.3 -16.9 9.4 72.9 32.4 366 430 D M T < S- 0 0 38 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.749 93.4-142.1 -74.3 -23.9 10.3 69.5 33.8 367 431 D M < - 0 0 131 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.1 0.970 25.2-165.5 62.1 60.2 14.0 70.3 33.7 368 432 D M - 0 0 17 -5,-0.3 -1,-0.2 -4,-0.1 -2,-0.0 -0.565 15.4-130.7 -84.6 142.1 15.3 66.9 32.6 369 433 D D > - 0 0 47 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.208 31.9-110.5 -70.0 171.8 19.0 65.7 32.7 370 434 D N H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.757 127.2 54.6 -76.1 -21.6 20.4 64.1 29.5 371 435 D V H > S+ 0 0 17 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.937 107.7 45.4 -72.4 -49.9 20.2 61.1 31.8 372 436 D H H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.986 118.0 45.3 -54.1 -58.7 16.5 61.6 32.6 373 437 D Y H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.836 113.8 48.6 -54.7 -40.0 15.9 62.2 28.9 374 438 D A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.940 111.4 47.2 -70.8 -47.2 18.1 59.2 27.8 375 439 D L H X S+ 0 0 2 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.915 112.0 53.9 -59.5 -40.6 16.5 56.7 30.1 376 440 D L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.935 104.6 52.0 -60.4 -47.3 13.1 58.0 29.1 377 441 D T H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.926 113.3 46.3 -57.1 -40.3 13.9 57.4 25.4 378 442 D A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.985 111.8 49.9 -62.4 -57.2 14.8 53.9 26.3 379 443 D I H < S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.836 109.5 52.7 -50.6 -38.6 11.8 53.3 28.4 380 444 D V H >< S+ 0 0 0 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.2 0.981 108.1 50.3 -63.0 -53.7 9.6 54.6 25.6 381 445 D I H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.822 111.0 49.6 -53.7 -34.9 11.1 52.2 23.1 382 446 D F T 3< S+ 0 0 0 -4,-2.0 16,-0.3 -5,-0.1 -1,-0.3 0.068 84.4 128.4 -97.3 29.9 10.5 49.2 25.5 383 447 D S S < S- 0 0 4 -3,-1.8 2,-0.8 -5,-0.1 -72,-0.1 -0.446 73.7 -91.1 -82.1 155.8 6.9 50.0 26.2 384 448 D D - 0 0 64 -2,-0.1 -1,-0.1 10,-0.1 -2,-0.1 -0.551 53.1-177.7 -70.2 107.9 4.1 47.4 25.9 385 449 D R > - 0 0 10 -2,-0.8 3,-0.8 1,-0.1 -78,-0.1 -0.822 33.6 -96.1-108.3 146.3 2.8 47.9 22.3 386 450 D P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -257,-0.0 -0.296 106.6 31.3 -60.3 143.2 -0.1 46.0 20.8 387 451 D G T 3 S+ 0 0 67 1,-0.3 2,-0.6 2,-0.0 -81,-0.1 0.713 75.4 151.0 84.8 20.6 1.0 42.9 18.8 388 452 D L < - 0 0 14 -3,-0.8 -1,-0.3 1,-0.2 -85,-0.1 -0.778 37.4-154.9 -89.7 124.9 4.1 41.9 20.7 389 453 D E S S+ 0 0 124 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.840 94.9 29.5 -63.4 -33.7 4.8 38.2 20.5 390 454 D Q > + 0 0 86 1,-0.1 4,-2.0 -3,-0.1 3,-0.4 -0.577 65.3 157.0-130.2 71.7 6.6 38.5 23.8 391 455 D P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.870 77.4 59.8 -59.4 -39.5 5.2 41.3 26.0 392 456 D S H > S+ 0 0 83 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.874 106.8 46.3 -57.8 -40.9 6.6 39.6 29.1 393 457 D L H >> S+ 0 0 39 -3,-0.4 4,-2.1 2,-0.2 3,-1.1 0.982 111.6 48.5 -67.3 -59.3 10.1 39.9 27.7 394 458 D V H 3X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.3 5,-0.2 0.916 108.7 55.1 -47.1 -47.7 9.9 43.5 26.6 395 459 D E H 3X S+ 0 0 48 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.872 106.4 53.7 -55.0 -35.5 8.4 44.3 30.0 396 460 D E H X S+ 0 0 7 -4,-2.1 4,-1.1 1,-0.2 3,-0.8 0.910 113.9 51.7 -51.5 -47.2 13.9 44.8 29.4 398 462 D Q H 3X S+ 0 0 7 -4,-3.3 4,-2.6 -16,-0.3 3,-0.4 0.889 102.4 58.6 -60.6 -41.8 11.9 47.9 30.2 399 463 D R H 3X S+ 0 0 97 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.788 99.3 59.5 -61.1 -26.6 11.9 47.3 33.9 400 464 D Y H S+ 0 0 39 -4,-2.7 5,-3.0 1,-0.2 3,-0.5 0.913 114.3 42.1 -55.5 -45.0 16.8 58.7 44.4 411 475 D N H ><5S+ 0 0 49 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.892 109.6 57.0 -68.6 -41.4 20.5 59.2 44.6 412 476 D Q H 3<5S+ 0 0 86 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.698 119.3 33.8 -63.9 -16.2 20.3 62.6 42.9 413 477 D N T ><5S- 0 0 46 -4,-1.1 3,-0.9 -3,-0.5 -1,-0.2 0.226 109.6-112.2-125.0 13.6 17.9 63.6 45.7 414 478 D S T < 5S- 0 0 96 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.902 75.7 -58.4 56.4 45.8 19.1 61.8 48.8 415 479 D A T 3 > S+ 0 0 81 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.894 110.5 71.7 -62.0 -36.1 10.3 62.2 49.0 418 482 D R H 3> S+ 0 0 40 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.628 76.1 85.0 -54.8 -12.5 10.2 64.4 46.0 419 483 D S H <> S+ 0 0 7 -3,-1.7 4,-3.5 1,-0.3 5,-0.3 0.950 87.3 49.9 -56.4 -49.6 11.9 61.5 44.1 420 484 D A H <> S+ 0 0 4 -3,-1.6 4,-2.7 -4,-0.3 -1,-0.3 0.842 110.6 52.6 -58.4 -32.5 8.5 59.9 43.5 421 485 D V H X S+ 0 0 14 -4,-0.6 4,-2.9 2,-0.2 5,-0.3 0.971 112.9 41.1 -67.8 -52.1 7.4 63.3 42.2 422 486 D I H X S+ 0 0 47 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.968 120.0 45.0 -57.8 -53.4 10.3 63.6 39.7 423 487 D F H X S+ 0 0 10 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.890 113.6 52.9 -56.6 -42.8 10.1 59.9 38.8 424 488 D G H X S+ 0 0 1 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.944 106.5 48.4 -61.1 -52.7 6.3 60.3 38.5 425 489 D K H X S+ 0 0 51 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.872 109.1 56.0 -58.9 -36.0 6.2 63.3 36.1 426 490 D I H >X S+ 0 0 1 -4,-1.9 3,-1.3 -5,-0.3 4,-0.7 0.967 107.4 46.5 -62.7 -48.2 8.7 61.5 33.9 427 491 D L H 3X S+ 0 0 3 -4,-2.0 4,-0.5 1,-0.3 3,-0.5 0.776 103.5 67.8 -63.8 -20.8 6.5 58.5 33.5 428 492 D G H >X S+ 0 0 8 -4,-1.5 4,-1.5 1,-0.2 3,-1.1 0.834 89.1 62.5 -65.6 -32.3 3.7 61.0 32.9 429 493 D I H <>S+ 0 0 20 -4,-2.6 5,-1.5 1,-0.2 3,-1.3 0.885 107.1 59.6 -55.4 -35.9 -2.5 62.6 3.5 448 512 D K H ><5S+ 0 0 101 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.942 109.1 38.3 -57.2 -54.5 -4.0 59.3 2.4 449 513 D L T 3<5S+ 0 0 140 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.092 123.0 44.2 -88.4 25.4 -7.5 60.8 1.6 450 514 D K T < 5S- 0 0 134 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.063 111.8-124.7-145.9 9.7 -5.9 63.9 0.2 451 515 D N T < 5 + 0 0 146 -3,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.879 45.0 169.4 36.2 74.1 -3.3 61.9 -1.7 452 516 D R < - 0 0 138 -5,-1.5 2,-0.8 -8,-0.2 -1,-0.1 -0.756 39.7-100.9-108.7 157.6 -0.0 63.4 -0.5 453 517 D K + 0 0 100 -2,-0.3 -5,-0.0 1,-0.0 -6,-0.0 -0.658 38.1 174.7 -84.1 106.6 3.5 62.1 -1.0 454 518 D L - 0 0 19 -2,-0.8 5,-0.3 -10,-0.0 -2,-0.0 -0.917 39.7-114.7-112.2 106.5 4.9 60.2 2.0 455 519 D P >> - 0 0 23 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.055 29.5-111.8 -39.0 128.1 8.3 58.7 1.1 456 520 D P H 3> S+ 0 0 108 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.675 114.9 69.3 -38.6 -23.7 8.0 54.8 1.2 457 521 D F H 3> S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.983 112.1 27.2 -61.8 -56.2 10.3 54.9 4.3 458 522 D L H <> S+ 0 0 2 -3,-1.4 4,-3.3 2,-0.2 -1,-0.2 0.893 113.5 66.8 -71.1 -41.1 7.6 56.5 6.4 459 523 D E H < S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.823 113.5 34.3 -48.5 -32.9 4.8 55.0 4.3 460 524 D E H >< S+ 0 0 151 -4,-1.4 3,-1.8 -5,-0.3 -2,-0.2 0.922 117.5 48.8 -88.6 -54.7 6.1 51.7 5.7 461 525 D I H 3< S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.845 122.2 36.0 -56.6 -37.8 7.2 52.6 9.2 462 526 D W T 3< S- 0 0 44 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.1 0.069 111.2-129.5-105.7 24.3 3.9 54.4 9.9 463 527 D D < - 0 0 102 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.1 0.248 17.4-151.3 53.6 178.4 1.7 52.0 7.9 464 528 D V 0 0 59 -4,-0.1 -4,-0.1 -3,-0.1 -1,-0.1 0.381 360.0 360.0-151.1 -41.2 -0.9 52.9 5.2 465 529 D A 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.784 360.0 360.0 -31.5 360.0 -3.6 50.2 5.2