==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 08-MAY-02 1LPQ . COMPND 2 MOLECULE: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*(8OG) . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.T.LESHER,Y.POMMIER,L.STEWART,M.R.REDINBO . 557 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 3 1 3 0 1 1 2 4 0 1 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 3 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 1 202 A K 0 0 256 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.4 -23.9 -6.8 -4.4 2 203 A W - 0 0 71 143,-0.0 2,-1.9 0, 0.0 3,-0.2 -0.776 360.0-150.0-152.9 103.3 -24.7 -6.2 -0.8 3 204 A K > + 0 0 95 -2,-0.3 3,-1.2 1,-0.2 4,-0.1 -0.525 26.8 166.0 -77.3 82.9 -25.1 -2.8 0.7 4 205 A W G > + 0 0 23 -2,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.758 68.1 69.9 -67.3 -26.7 -23.9 -3.6 4.3 5 206 A W G 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.563 92.8 56.7 -69.4 -10.4 -23.5 0.1 5.0 6 207 A E G < S+ 0 0 126 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.478 94.7 98.0 -96.4 -4.4 -27.3 0.5 5.0 7 208 A E S < S- 0 0 99 -3,-1.6 2,-0.5 -4,-0.1 -3,-0.0 -0.399 88.9 -94.0 -83.7 159.3 -27.3 -2.2 7.6 8 209 A E - 0 0 182 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.614 48.2-114.0 -76.5 120.1 -27.6 -1.7 11.4 9 210 A R - 0 0 152 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 -0.114 31.8-103.7 -56.3 146.0 -24.2 -1.5 13.0 10 211 A Y - 0 0 83 1,-0.1 -1,-0.1 5,-0.1 3,-0.1 -0.304 40.2 -92.7 -71.0 152.0 -23.1 -4.3 15.4 11 212 A P - 0 0 84 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.168 54.1 -88.2 -59.2 157.0 -23.0 -3.8 19.2 12 213 A E S S+ 0 0 109 1,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.489 113.0 27.7 -67.6 136.8 -19.7 -2.7 20.7 13 214 A G S S+ 0 0 48 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 -0.369 98.6 86.8 111.6 -57.0 -17.6 -5.7 21.4 14 215 A I - 0 0 68 -3,-0.4 -1,-0.2 -2,-0.3 194,-0.2 -0.566 44.0-178.6 -83.7 146.0 -18.8 -8.3 18.9 15 216 A K - 0 0 71 192,-2.9 2,-0.3 1,-0.5 193,-0.2 0.787 67.4 -2.5-106.4 -49.2 -17.3 -8.5 15.4 16 217 A W - 0 0 0 191,-0.8 -1,-0.5 193,-0.2 3,-0.1 -0.924 43.6-153.8-141.7 166.4 -19.3 -11.4 13.8 17 218 A K S S+ 0 0 145 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.717 86.1 28.3-108.1 -38.4 -22.0 -13.9 14.7 18 219 A F + 0 0 53 168,-0.1 125,-2.6 169,-0.1 2,-0.4 -0.990 63.5 178.8-130.8 136.3 -21.1 -16.7 12.2 19 220 A L E +A 142 0A 0 -2,-0.4 167,-1.9 123,-0.2 2,-0.3 -0.988 5.9 164.3-141.8 129.7 -17.8 -17.6 10.6 20 221 A E E +A 141 0A 59 121,-2.7 121,-3.4 -2,-0.4 2,-0.3 -0.987 8.8 140.4-147.3 136.4 -16.9 -20.4 8.2 21 222 A H - 0 0 9 169,-0.4 119,-0.1 -2,-0.3 116,-0.1 -0.988 54.8-108.5-166.2 166.8 -13.9 -21.1 5.9 22 223 A K - 0 0 119 117,-0.4 118,-0.1 1,-0.3 169,-0.1 0.074 58.3-128.9 -89.7 21.5 -11.6 -23.8 4.4 23 224 A G - 0 0 4 2,-0.1 -1,-0.3 114,-0.0 2,-0.1 -0.244 50.4 -28.7 64.5-154.9 -8.7 -22.5 6.5 24 225 A P - 0 0 8 0, 0.0 2,-0.6 0, 0.0 129,-0.2 -0.360 46.4-123.2 -95.3 172.7 -5.4 -21.7 4.7 25 226 A V B -c 153 0B 26 127,-2.1 129,-1.4 -2,-0.1 -2,-0.1 -0.870 33.6-149.4-116.4 92.5 -3.5 -22.9 1.6 26 227 A F - 0 0 37 -2,-0.6 151,-0.1 127,-0.2 149,-0.0 0.098 28.6 -85.1 -52.2 172.7 -0.1 -24.0 2.8 27 228 A A - 0 0 25 149,-0.3 -1,-0.1 128,-0.2 128,-0.1 -0.467 49.3 -91.5 -84.1 157.2 3.0 -23.8 0.6 28 229 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.321 48.5 -91.0 -68.8 147.5 4.0 -26.4 -2.1 29 230 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.028 51.1 -90.4 -52.3 157.6 6.4 -29.3 -1.3 30 231 A Y - 0 0 48 1,-0.1 24,-0.0 0, 0.0 21,-0.0 -0.594 35.3-145.1 -75.1 128.8 10.1 -28.8 -1.9 31 232 A E - 0 0 148 -2,-0.4 -1,-0.1 -3,-0.1 0, 0.0 -0.829 17.6-135.9 -98.8 106.3 11.1 -29.7 -5.4 32 233 A P - 0 0 92 0, 0.0 3,-0.1 0, 0.0 22,-0.0 -0.122 27.7 -99.2 -53.3 157.3 14.6 -31.3 -5.3 33 234 A L - 0 0 31 1,-0.1 4,-0.0 4,-0.1 71,-0.0 -0.422 41.6 -92.1 -80.1 153.9 17.1 -30.2 -7.9 34 235 A P > - 0 0 52 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.248 37.7-110.7 -61.0 153.7 17.9 -32.2 -11.0 35 236 A E T 3 S+ 0 0 183 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.840 119.7 59.6 -55.4 -29.7 20.8 -34.6 -10.7 36 237 A N T 3 S+ 0 0 133 1,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.181 82.9 85.9 -87.8 17.1 22.6 -32.2 -13.1 37 238 A V < - 0 0 19 -3,-2.2 2,-0.2 -4,-0.0 -1,-0.1 -0.843 69.3-169.2-118.7 91.7 22.3 -29.1 -10.9 38 239 A K - 0 0 78 -2,-0.6 66,-0.4 9,-0.1 65,-0.3 -0.522 18.2-151.3 -91.2 150.0 25.4 -29.3 -8.6 39 240 A F E -D 46 0C 9 7,-0.8 7,-1.3 -2,-0.2 2,-0.4 -0.673 17.8-146.7-105.8 161.8 26.5 -27.4 -5.5 40 241 A Y E +DE 45 100C 73 60,-1.2 60,-2.6 -2,-0.2 2,-0.4 -0.992 19.3 178.5-142.2 137.6 30.1 -26.9 -4.6 41 242 A Y E > S-DE 44 99C 14 3,-2.1 3,-1.1 -2,-0.4 58,-0.2 -0.967 85.2 -9.8-136.3 117.3 32.2 -26.7 -1.4 42 243 A D T 3 S- 0 0 92 56,-1.7 57,-0.1 -2,-0.4 3,-0.1 0.832 124.0 -68.7 63.9 31.3 36.0 -26.3 -1.5 43 244 A G T 3 S+ 0 0 58 55,-0.6 -1,-0.3 1,-0.2 2,-0.1 0.081 111.0 121.0 77.7 -26.7 35.5 -27.0 -5.2 44 245 A K E < S-D 41 0C 160 -3,-1.1 -3,-2.1 1,-0.1 -1,-0.2 -0.417 71.0-109.8 -69.2 142.1 34.6 -30.6 -4.5 45 246 A V E -D 40 0C 73 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.392 40.1-176.6 -71.0 154.0 31.1 -31.6 -5.7 46 247 A M E -D 39 0C 29 -7,-1.3 2,-0.8 -2,-0.0 -7,-0.8 -0.933 25.1-148.0-158.1 130.2 28.5 -32.2 -3.0 47 248 A K - 0 0 86 -2,-0.3 2,-0.1 -9,-0.1 -9,-0.1 -0.854 28.4-145.5 -99.2 103.7 24.9 -33.4 -3.0 48 249 A L - 0 0 11 -2,-0.8 37,-0.0 1,-0.1 -2,-0.0 -0.351 17.5-109.3 -71.8 146.4 23.1 -31.6 -0.1 49 250 A S >> - 0 0 30 -2,-0.1 4,-2.8 1,-0.1 3,-0.7 -0.429 42.5 -96.6 -70.9 154.6 20.4 -33.3 1.9 50 251 A P H 3> S+ 0 0 87 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.819 118.5 45.3 -33.9 -71.6 16.9 -31.9 1.3 51 252 A K H 3> S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.843 121.2 42.3 -51.7 -37.6 16.3 -29.5 4.2 52 253 A A H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.830 113.0 50.5 -79.9 -34.6 19.8 -28.1 3.6 53 254 A E H X S+ 0 0 29 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.846 109.8 55.7 -68.9 -31.0 19.5 -28.1 -0.2 54 255 A E H X S+ 0 0 35 -4,-3.1 4,-1.4 -5,-0.3 -2,-0.2 0.978 112.7 37.3 -63.9 -57.3 16.3 -26.3 0.4 55 256 A V H X S+ 0 0 3 -4,-1.9 4,-1.2 1,-0.2 3,-0.3 0.923 112.3 60.9 -62.1 -41.5 17.8 -23.5 2.4 56 257 A A H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.7 0.916 102.4 52.3 -51.9 -43.9 20.8 -23.5 0.1 57 258 A T H 3X S+ 0 0 3 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.886 97.2 63.7 -63.8 -38.0 18.5 -22.6 -2.7 58 259 A F H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.848 108.4 44.4 -54.0 -32.9 16.9 -19.6 -1.0 59 260 A F H XX S+ 0 0 5 -4,-1.2 3,-2.7 -3,-0.7 4,-0.9 0.958 111.8 51.9 -74.1 -52.6 20.4 -18.1 -1.1 60 261 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 4,-0.3 0.912 103.4 57.0 -48.8 -51.3 21.1 -19.2 -4.7 61 262 A K T 3< S+ 0 0 137 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.608 116.0 40.4 -58.8 -8.0 17.8 -17.6 -5.9 62 263 A M T X4 S+ 0 0 43 -3,-2.7 3,-3.7 -5,-0.3 6,-0.4 0.471 76.4 113.0-118.8 -6.9 19.3 -14.4 -4.4 63 264 A L T << S+ 0 0 51 -3,-1.3 -2,-0.1 -4,-0.9 5,-0.1 0.818 77.6 54.3 -30.9 -58.8 22.9 -14.5 -5.3 64 265 A D T 3 S+ 0 0 155 -4,-0.3 2,-0.5 4,-0.1 -1,-0.3 0.507 89.9 98.7 -60.9 -4.8 22.7 -11.5 -7.7 65 266 A H S X S- 0 0 90 -3,-3.7 3,-2.0 1,-0.1 4,-0.3 -0.771 73.9-140.5 -92.8 125.8 21.2 -9.4 -4.8 66 267 A E G >> S+ 0 0 127 -2,-0.5 3,-2.5 1,-0.3 4,-1.2 0.750 97.7 78.0 -52.9 -26.4 23.6 -7.1 -2.9 67 268 A Y G >4 S+ 0 0 50 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.932 86.0 61.4 -47.1 -47.2 21.8 -8.2 0.2 68 269 A T G <4 S+ 0 0 10 -3,-2.0 -1,-0.3 -6,-0.4 -2,-0.2 0.622 99.8 54.6 -58.3 -15.4 23.8 -11.4 -0.0 69 270 A T G <4 S+ 0 0 96 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.2 0.828 83.3 100.8 -89.6 -32.4 27.1 -9.5 0.3 70 271 A K S S+ 0 0 142 1,-0.2 4,-3.2 2,-0.2 3,-0.2 0.980 104.9 50.8 -55.7 -68.1 27.8 -9.2 6.7 72 273 A I H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.742 112.8 50.3 -44.2 -29.6 24.7 -9.6 8.9 73 274 A F H > S+ 0 0 0 -3,-0.3 4,-3.1 -6,-0.2 -1,-0.2 0.961 114.2 40.5 -76.2 -53.0 23.0 -11.4 6.0 74 275 A R H X S+ 0 0 65 -4,-2.2 4,-1.4 -7,-0.2 5,-0.2 0.803 118.8 51.0 -64.0 -29.0 25.8 -13.8 5.3 75 276 A K H X S+ 0 0 47 -4,-3.2 4,-2.4 -5,-0.3 -2,-0.2 0.994 115.1 38.5 -68.7 -68.6 26.3 -14.2 9.1 76 277 A N H X S+ 0 0 24 -4,-2.0 4,-1.8 93,-0.3 5,-0.2 0.857 114.9 55.2 -49.7 -46.2 22.6 -14.9 9.9 77 278 A F H >X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.2 3,-0.9 0.980 110.8 41.9 -54.2 -65.5 22.1 -17.0 6.8 78 279 A F H 3X S+ 0 0 29 -4,-1.4 4,-2.8 1,-0.3 5,-0.3 0.929 108.0 61.7 -46.2 -56.5 24.9 -19.5 7.5 79 280 A K H 3X S+ 0 0 78 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.3 0.845 117.5 30.5 -36.1 -48.9 24.1 -19.6 11.2 80 281 A D H < S+ 0 0 117 -4,-2.8 3,-3.1 -5,-0.4 -1,-0.3 0.942 100.4 56.6 -71.9 -48.5 23.8 -24.7 9.3 83 284 A K H 3< S+ 0 0 127 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.895 106.4 51.9 -48.2 -44.8 21.0 -25.5 11.8 84 285 A E T 3< S+ 0 0 34 -4,-2.1 -1,-0.3 -33,-0.1 2,-0.3 0.258 93.4 108.7 -78.5 13.4 19.1 -27.2 9.0 85 286 A M S < S- 0 0 9 -3,-3.1 2,-0.1 -5,-0.2 5,-0.1 -0.694 72.7-115.3 -96.8 147.9 22.3 -29.3 8.2 86 287 A T >> - 0 0 54 -2,-0.3 4,-1.5 1,-0.1 3,-1.0 -0.455 33.4-108.8 -75.0 150.7 22.8 -33.0 8.8 87 288 A N H 3> S+ 0 0 120 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.848 118.9 48.3 -49.5 -44.9 25.5 -34.0 11.3 88 289 A E H 34 S+ 0 0 72 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.815 111.5 52.0 -66.6 -29.3 27.9 -35.3 8.6 89 290 A E H <> S+ 0 0 18 -3,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.701 100.2 62.1 -80.1 -21.0 27.4 -32.2 6.5 90 291 A K H < S+ 0 0 68 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.917 97.5 56.9 -71.1 -40.3 28.2 -29.9 9.4 91 292 A N T < S+ 0 0 133 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.731 114.5 40.6 -62.0 -21.5 31.7 -31.2 9.7 92 293 A I T 4 S+ 0 0 84 -4,-0.4 2,-0.8 -3,-0.2 -2,-0.2 0.934 106.0 58.5 -88.3 -67.6 32.3 -30.3 6.1 93 294 A I < + 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -52,-0.0 -0.525 55.1 150.5 -70.8 105.6 30.7 -26.9 5.5 94 295 A T + 0 0 83 -2,-0.8 -1,-0.2 -3,-0.1 -4,-0.0 0.368 67.0 21.0-118.2 4.9 32.2 -24.4 8.0 95 296 A N - 0 0 50 -17,-0.0 -17,-0.1 0, 0.0 -2,-0.1 0.675 66.4-138.7-147.2 -24.3 32.1 -21.1 6.2 96 297 A L S S+ 0 0 6 1,-0.1 -3,-0.0 -18,-0.1 -19,-0.0 0.347 91.1 85.5 76.2 -12.9 29.6 -20.3 3.3 97 298 A S S S+ 0 0 95 1,-0.2 -1,-0.1 3,-0.1 -56,-0.0 0.664 88.5 47.9 -91.3 -20.8 32.4 -18.4 1.6 98 299 A K S S+ 0 0 102 2,-0.1 -56,-1.7 -56,-0.0 2,-0.9 0.328 88.3 109.9 -97.5 4.5 33.8 -21.6 -0.0 99 300 A C E -E 41 0C 12 -58,-0.2 2,-0.8 -57,-0.1 -58,-0.2 -0.738 59.2-153.6 -88.2 105.8 30.2 -22.5 -1.1 100 301 A D E +E 40 0C 63 -60,-2.6 -60,-1.2 -2,-0.9 3,-0.3 -0.670 25.9 163.6 -81.6 108.8 29.9 -22.2 -4.9 101 302 A F > + 0 0 6 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.453 42.8 110.1-102.1 -1.7 26.2 -21.5 -5.6 102 303 A T H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.700 77.5 51.4 -47.4 -24.5 26.9 -20.3 -9.2 103 304 A Q H > S+ 0 0 25 -3,-0.3 4,-2.2 -65,-0.3 -1,-0.2 0.964 107.9 45.9 -79.4 -56.7 25.2 -23.5 -10.5 104 305 A M H > S+ 0 0 1 -66,-0.4 4,-2.3 2,-0.2 5,-0.2 0.895 115.4 51.5 -52.8 -40.9 21.9 -23.4 -8.7 105 306 A S H >X S+ 0 0 21 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.997 107.7 48.5 -58.3 -67.2 21.7 -19.8 -9.5 106 307 A Q H 3X S+ 0 0 154 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.762 112.1 56.0 -43.5 -29.2 22.4 -20.3 -13.3 107 308 A Y H 3X S+ 0 0 69 -4,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.939 107.8 42.1 -71.2 -51.4 19.7 -22.9 -12.9 108 309 A F H X S+ 0 0 124 -4,-2.5 4,-2.7 1,-0.3 3,-1.8 0.975 108.3 43.1 -48.8 -66.5 17.7 -18.0 -13.9 110 311 A A H 3X S+ 0 0 55 -4,-1.5 4,-3.0 1,-0.3 -1,-0.3 0.839 110.3 59.4 -47.2 -36.3 17.0 -20.2 -16.9 111 312 A Q H 3X S+ 0 0 90 -4,-1.6 4,-0.5 1,-0.2 -1,-0.3 0.866 108.2 43.2 -62.7 -36.1 14.0 -21.4 -15.0 112 313 A T H < S+ 0 0 47 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.943 107.1 47.9 -58.9 -45.3 13.8 -17.5 -18.6 114 315 A A H 3< S+ 0 0 58 -4,-3.0 3,-0.3 1,-0.3 -1,-0.3 0.700 113.7 48.5 -68.2 -18.4 11.5 -20.4 -19.3 115 316 A R H 3< S+ 0 0 72 -4,-0.5 3,-0.3 -3,-0.4 -1,-0.3 0.430 101.4 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533 A D G 3 S- 0 0 75 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.389 127.6 -76.3 64.8 -8.5 10.9 1.4 7.0 333 534 A S G < S+ 0 0 24 -3,-0.5 2,-0.9 1,-0.3 -1,-0.3 0.667 85.2 153.8 90.2 22.1 14.1 3.4 7.4 334 535 A I < - 0 0 81 -3,-2.4 -4,-0.9 -5,-0.1 -1,-0.3 -0.754 48.1-120.2 -83.9 105.5 13.1 6.2 5.0 335 536 A R E -M 329 0J 143 -2,-0.9 2,-0.5 -6,-0.2 -6,-0.2 -0.073 21.1-153.7 -52.3 142.1 15.1 9.1 6.4 336 537 A Y E +M 328 0J 24 -8,-3.2 -8,-2.2 -6,-0.0 2,-0.4 -0.939 22.8 161.5-125.1 108.5 13.4 12.3 7.7 337 538 A Y E +M 327 0J 96 -2,-0.5 -10,-0.2 -10,-0.2 2,-0.1 -0.977 11.6 137.5-124.4 136.3 15.4 15.5 7.5 338 539 A N E -M 326 0J 55 -12,-2.5 -12,-1.3 -2,-0.4 2,-0.3 -0.447 42.5-137.0 176.3 107.1 13.8 18.9 7.7 339 540 A K E -M 325 0J 61 -14,-0.2 -14,-0.3 -2,-0.1 -2,-0.0 -0.519 29.4-165.1 -69.7 124.5 14.7 22.1 9.5 340 541 A V E -M 324 0J 18 -16,-3.1 -16,-3.1 -2,-0.3 2,-0.7 -0.944 18.3-142.9-125.2 122.1 11.5 23.5 11.0 341 542 A P E +M 323 0J 68 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.671 35.1 179.7 -78.7 110.1 10.9 27.1 12.4 342 543 A V - 0 0 12 -20,-1.0 2,-0.2 -2,-0.7 -21,-0.0 -0.164 35.1 -59.9 -98.9-166.4 8.7 26.6 15.4 343 544 A E >> - 0 0 81 1,-0.1 4,-2.3 -2,-0.1 3,-1.1 -0.556 42.7-124.1 -79.1 140.4 7.1 28.9 18.0 344 545 A K H 3> S+ 0 0 121 1,-0.3 4,-2.2 -2,-0.2 5,-0.3 0.925 115.1 51.7 -48.0 -48.9 9.4 30.9 20.1 345 546 A R H 3> S+ 0 0 49 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.768 109.7 49.7 -61.5 -28.0 7.8 29.4 23.2 346 547 A V H <> S+ 0 0 0 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.809 108.5 52.1 -81.1 -34.3 8.4 25.9 21.8 347 548 A F H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.974 112.4 42.7 -66.6 -55.9 12.0 26.4 21.0 348 549 A K H X S+ 0 0 113 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.918 120.1 46.6 -55.8 -41.3 13.0 27.7 24.5 349 550 A N H X S+ 0 0 26 -4,-1.2 4,-1.0 -5,-0.3 3,-0.4 0.878 108.8 52.8 -66.5 -43.0 10.9 24.9 25.8 350 551 A L H < S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.941 105.8 55.0 -59.5 -46.1 12.4 22.3 23.5 351 552 A Q H >< S+ 0 0 95 -4,-2.9 3,-1.1 1,-0.2 -1,-0.3 0.783 95.7 72.9 -56.9 -26.8 15.8 23.4 24.7 352 553 A L H >< S+ 0 0 93 -4,-0.8 2,-1.9 -3,-0.4 3,-1.4 0.970 95.2 45.1 -53.6 -61.5 14.5 22.6 28.2 353 554 A F T 3< S+ 0 0 13 -4,-1.0 -1,-0.3 -3,-0.4 12,-0.1 -0.152 100.4 81.0 -77.0 45.9 14.5 18.8 27.8 354 555 A M T < + 0 0 45 -2,-1.9 3,-0.5 -3,-1.1 2,-0.3 0.474 68.1 89.4-126.7 -10.4 18.0 19.3 26.3 355 556 A E S < S+ 0 0 129 -3,-1.4 3,-0.1 -4,-0.2 -3,-0.0 -0.698 88.6 18.5 -94.6 144.0 20.2 19.7 29.4 356 557 A N S S+ 0 0 154 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.838 98.4 116.5 70.1 37.0 21.8 16.7 31.2 357 558 A K - 0 0 49 -3,-0.5 -1,-0.2 4,-0.1 6,-0.0 -0.993 55.8-142.4-142.6 133.5 21.4 14.3 28.3 358 559 A Q > - 0 0 139 -2,-0.4 3,-1.5 1,-0.1 -50,-0.3 -0.322 45.0 -95.4 -79.3 171.4 23.8 12.4 26.0 359 560 A P T 3 S+ 0 0 62 0, 0.0 -50,-2.0 0, 0.0 -49,-0.2 0.794 124.8 57.0 -58.9 -29.6 22.8 12.0 22.3 360 561 A E T 3 S+ 0 0 145 -52,-0.2 2,-0.4 -53,-0.1 -2,-0.0 0.077 83.7 110.2 -91.6 23.9 21.3 8.6 23.0 361 562 A D S < S- 0 0 65 -3,-1.5 -53,-2.2 1,-0.1 -52,-0.2 -0.847 81.8 -98.3-103.9 136.8 18.9 9.9 25.6 362 563 A D B > -K 307 0I 74 -2,-0.4 3,-1.0 -55,-0.2 -55,-0.3 -0.245 26.9-148.8 -49.0 123.0 15.1 10.0 25.1 363 564 A L T 3 S+ 0 0 0 -57,-2.6 -56,-0.2 1,-0.3 -1,-0.2 0.873 96.6 32.9 -65.7 -36.4 14.3 13.6 24.1 364 565 A F T 3 S+ 0 0 0 -58,-0.6 3,-0.4 -60,-0.4 -1,-0.3 -0.355 80.9 171.1-116.1 54.6 10.9 13.3 25.7 365 566 A D < + 0 0 51 -3,-1.0 3,-0.1 1,-0.2 -60,-0.0 -0.333 69.2 39.5 -62.1 148.3 11.5 11.0 28.7 366 567 A R S S+ 0 0 171 1,-0.3 2,-0.3 -96,-0.0 -1,-0.2 0.784 110.2 80.9 78.0 31.6 8.5 10.8 31.0 367 568 A L + 0 0 8 -3,-0.4 -1,-0.3 -63,-0.1 2,-0.3 -0.962 48.8 146.7-162.1 146.0 6.3 10.8 27.8 368 569 A N >> - 0 0 82 -2,-0.3 4,-2.5 1,-0.1 3,-0.8 -0.954 61.9 -78.1-176.0 164.0 5.2 8.2 25.3 369 570 A T H 3> S+ 0 0 15 -2,-0.3 4,-3.6 1,-0.3 5,-0.5 0.856 123.8 59.9 -38.5 -50.1 2.4 7.2 23.0 370 571 A G H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.915 111.9 36.8 -45.7 -56.6 0.5 5.7 26.0 371 572 A I H <> S+ 0 0 65 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.915 117.8 53.1 -63.6 -45.8 0.4 9.1 27.8 372 573 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.908 116.7 35.3 -58.7 -48.2 -0.1 11.0 24.6 373 574 A N H X S+ 0 0 29 -4,-3.6 4,-3.2 -5,-0.2 -1,-0.2 0.925 109.3 63.5 -73.8 -43.5 -3.1 9.0 23.4 374 575 A K H < S+ 0 0 130 -4,-2.4 -1,-0.2 -5,-0.5 -2,-0.2 0.816 111.6 41.2 -47.1 -32.3 -4.5 8.5 26.8 375 576 A H H >X S+ 0 0 37 -4,-1.3 4,-2.0 2,-0.2 3,-1.6 0.845 111.2 51.2 -86.5 -40.4 -4.9 12.3 26.8 376 577 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.3 7,-0.3 0.847 105.2 60.3 -65.9 -30.6 -6.1 12.8 23.3 377 578 A Q H 3< S+ 0 0 85 -4,-3.2 -1,-0.3 1,-0.2 5,-0.3 0.269 106.6 46.9 -80.4 12.4 -8.7 10.2 24.1 378 579 A D H <4 S+ 0 0 123 -3,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.602 109.6 50.9-114.1 -42.3 -9.9 12.5 26.9 379 580 A L H < S- 0 0 37 -4,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.814 133.2 -1.6 -64.8 -30.9 -10.0 15.6 24.8 380 581 A M S < S- 0 0 20 -4,-2.0 3,-0.5 -5,-0.2 2,-0.4 -0.984 85.8 -91.7-156.3 157.4 -12.0 13.6 22.2 381 582 A E S S- 0 0 70 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.581 105.1 -9.4 -77.4 128.6 -13.4 10.1 21.8 382 583 A G S S+ 0 0 40 -2,-0.4 -1,-0.2 -5,-0.3 5,-0.2 0.426 91.5 149.3 68.4 -4.5 -11.2 7.8 19.9 383 584 A L + 0 0 0 -3,-0.5 2,-0.3 -7,-0.3 -1,-0.2 -0.375 17.6 168.4 -59.8 138.3 -8.8 10.6 19.0 384 585 A T >> - 0 0 39 -8,-0.1 3,-1.8 -3,-0.1 4,-0.6 -0.964 52.9 -92.5-155.0 140.2 -5.3 9.3 18.7 385 586 A A H >> S+ 0 0 4 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.676 122.3 58.5 -15.2 -56.8 -2.1 10.8 17.3 386 587 A K H >> S+ 0 0 109 1,-0.3 4,-1.2 2,-0.2 3,-1.2 0.877 87.6 69.4 -48.2 -54.8 -2.9 9.3 13.9 387 588 A V H <> S+ 0 0 9 -3,-1.8 4,-2.6 1,-0.3 -1,-0.3 0.756 92.8 65.6 -38.8 -32.3 -6.3 10.9 13.3 388 589 A F H X S+ 0 0 27 -4,-2.6 4,-1.5 1,-0.2 3,-0.8 0.952 120.1 40.3 -44.4 -68.3 -5.2 17.7 8.1 393 594 A A H 3X S+ 0 0 1 -4,-1.2 4,-1.5 -5,-0.3 3,-0.5 0.888 111.9 57.5 -49.2 -47.7 -4.6 16.0 4.8 394 595 A S H 3X S+ 0 0 0 -4,-1.9 4,-1.5 122,-0.3 -1,-0.3 0.871 108.2 46.2 -54.1 -40.0 -8.3 15.2 4.3 395 596 A I H < S+ 0 0 73 -4,-0.7 3,-1.0 2,-0.2 4,-0.4 0.940 103.3 51.7 -79.6 -82.9 -9.6 22.5 -0.0 400 601 A Q H >X S+ 0 0 36 -4,-3.3 3,-1.3 1,-0.3 4,-0.7 0.702 105.9 63.1 -24.0 -41.3 -7.2 22.2 -3.0 401 602 A L H >X S+ 0 0 22 -4,-1.8 3,-2.4 1,-0.3 4,-2.0 0.978 101.5 44.3 -54.3 -65.7 -10.3 21.4 -5.1 402 603 A K H << S+ 0 0 152 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.297 113.2 60.7 -64.4 14.8 -12.2 24.7 -4.6 403 604 A E H <4 S+ 0 0 117 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.536 123.3 9.8-116.3 -18.6 -8.7 26.1 -5.3 404 605 A L H << S+ 0 0 70 -3,-2.4 2,-0.9 -4,-0.7 13,-0.2 0.293 93.3 105.7-148.3 13.1 -8.1 24.7 -8.8 405 606 A T < - 0 0 21 -4,-2.0 9,-0.1 -5,-0.1 -1,-0.1 -0.685 60.4-147.9-101.6 81.1 -11.5 23.2 -10.1 406 607 A A - 0 0 44 -2,-0.9 3,-0.3 1,-0.2 -2,-0.0 -0.053 23.6-114.4 -43.7 143.4 -12.7 25.7 -12.7 407 608 A P S S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.403 99.2 7.0 -65.2 2.8 -16.6 25.8 -12.8 408 609 A D S S+ 0 0 90 2,-0.1 2,-0.3 3,-0.0 -2,-0.0 -0.397 84.1 121.3 172.9 104.2 -16.5 24.4 -16.4 409 610 A E - 0 0 57 -3,-0.3 5,-0.1 -2,-0.1 -4,-0.0 -0.930 62.9 -53.5-157.5 177.7 -13.6 23.1 -18.5 410 611 A N >> - 0 0 56 -2,-0.3 4,-1.0 1,-0.1 3,-0.8 -0.323 53.3-116.1 -61.2 140.7 -12.3 20.1 -20.4 411 612 A I H >> S+ 0 0 77 1,-0.3 3,-2.4 2,-0.2 4,-1.5 0.922 115.6 55.0 -43.2 -59.1 -12.1 16.9 -18.3 412 613 A P H 3> S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.877 100.5 60.9 -43.8 -43.6 -8.3 16.7 -18.5 413 614 A A H <> S+ 0 0 31 -3,-0.8 4,-1.0 2,-0.2 -2,-0.2 0.809 109.8 43.3 -53.9 -32.3 -8.2 20.2 -17.0 414 615 A K H S+ 0 0 15 -4,-1.0 4,-5.5 -13,-0.2 5,-0.5 0.694 119.3 72.6 -59.1 -17.6 -4.8 20.0 -10.9 418 619 A Y H X5S+ 0 0 12 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.990 110.2 27.0 -58.0 -73.0 -6.9 17.4 -9.1 419 620 A N H <5S+ 0 0 41 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.439 129.4 50.8 -68.6 4.1 -4.2 14.7 -9.1 420 621 A R H ><5S+ 0 0 92 -4,-0.6 3,-1.2 2,-0.1 4,-0.4 0.801 108.4 45.5-104.8 -48.7 -1.8 17.7 -9.2 421 622 A A H >X5S+ 0 0 13 -4,-5.5 3,-1.6 1,-0.3 4,-0.7 0.978 107.1 57.7 -58.0 -59.8 -3.1 19.8 -6.3 422 623 A N T 3< S+ 0 0 57 -3,-1.6 4,-1.3 -4,-0.4 3,-0.9 0.777 108.0 61.1 -63.2 -23.2 1.5 18.9 -2.0 425 626 A V G 3< S+ 0 0 2 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.295 105.0 48.0 -84.4 7.5 -0.9 17.1 0.4 426 627 A A G <4>S+ 0 0 0 -3,-2.1 5,-0.8 81,-0.1 -1,-0.2 0.203 111.9 46.9-130.2 10.0 0.9 13.9 -0.2 427 628 A I T <45S+ 0 0 56 -3,-0.9 3,-0.4 3,-0.2 -2,-0.2 0.530 93.4 69.4-124.1 -24.3 4.5 15.2 0.3 428 629 A L T <5S+ 0 0 91 -4,-1.3 -3,-0.1 1,-0.3 -4,-0.1 0.589 103.9 52.5 -71.6 -5.0 4.0 17.1 3.5 429 630 A C T 5S- 0 0 13 -5,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.658 110.3-137.6 -95.7 -26.3 3.6 13.6 4.7 430 631 A N T 5 + 0 0 59 -3,-0.4 2,-0.5 1,-0.2 -3,-0.2 0.925 31.3 177.4 66.1 54.6 6.9 12.7 3.1 431 632 A H < 0 0 25 -5,-0.8 77,-0.8 77,-0.4 -1,-0.2 -0.774 360.0 360.0 -90.0 122.1 6.0 9.3 1.5 432 633 A Q 0 0 83 -2,-0.5 -1,-0.1 75,-0.3 77,-0.1 0.135 360.0 360.0-131.1 360.0 8.9 7.8 -0.6 433 ! 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 0.0 434 641 A E 0 0 156 0, 0.0 2,-0.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -45.7 15.9 7.0 -13.8 435 642 A K + 0 0 93 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.607 360.0 94.1-103.7 69.6 15.7 7.1 -17.6 436 643 A S S S+ 0 0 56 -2,-0.8 -1,-0.2 4,-0.0 3,-0.1 0.639 79.3 45.2-125.5 -39.3 12.0 7.7 -18.0 437 644 A M S > S+ 0 0 86 -3,-0.3 3,-2.2 1,-0.2 4,-0.4 0.863 106.3 57.6 -78.6 -38.8 11.4 11.5 -18.2 438 645 A M T 3 S+ 0 0 91 1,-0.3 4,-0.4 -4,-0.3 3,-0.3 0.594 100.8 65.4 -66.0 -6.1 14.1 12.2 -20.7 439 646 A N T 3 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.073 82.4 76.3-100.2 18.5 12.0 9.6 -22.6 440 647 A L S X>>S+ 0 0 26 -3,-2.2 4,-4.8 3,-0.1 3,-0.7 0.671 84.7 61.8 -99.2 -24.6 9.1 12.1 -22.8 441 648 A Q H 3>>S+ 0 0 103 -4,-0.4 4,-1.4 -3,-0.3 5,-1.0 0.969 99.1 52.1 -65.6 -53.6 10.7 14.2 -25.5 442 649 A T H 345S+ 0 0 114 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.1 0.497 127.3 29.6 -62.0 1.3 10.8 11.4 -28.1 443 650 A K H <>5S+ 0 0 124 -3,-0.7 4,-2.9 3,-0.1 5,-0.4 0.642 123.2 41.0-121.7 -64.7 7.1 11.1 -27.1 444 651 A I H X5S+ 0 0 33 -4,-4.8 4,-2.8 1,-0.2 5,-0.2 0.935 119.9 46.6 -54.0 -51.4 5.7 14.5 -26.0 445 652 A D H X4< S+ 0 0 103 -4,-2.9 3,-0.9 1,-0.3 4,-0.3 0.761 114.5 63.8 -63.4 -26.4 2.6 13.7 -30.3 448 655 A K H >X S+ 0 0 103 -4,-2.8 3,-1.4 -5,-0.4 4,-0.7 0.834 97.3 56.3 -66.5 -31.9 3.0 17.5 -29.7 449 656 A E H S+ 0 0 48 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.3 0.739 90.3 63.6 -68.1 -18.8 0.6 16.1 -33.9 451 658 A L H <> S+ 0 0 51 -3,-1.4 4,-1.5 -4,-0.3 -2,-0.2 0.992 103.3 40.4 -63.9 -64.4 -0.4 19.7 -33.0 452 659 A A H X S+ 0 0 32 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.703 109.6 68.9 -58.5 -18.6 1.3 21.3 -35.9 453 660 A D H < S+ 0 0 58 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.996 112.3 24.5 -61.6 -74.2 -0.2 18.4 -37.8 454 661 A A H < S+ 0 0 16 -4,-2.0 -1,-0.2 29,-0.2 -2,-0.2 0.562 118.7 70.7 -68.2 -6.7 -3.8 19.4 -37.5 455 662 A R H < S+ 0 0 129 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.975 97.9 43.1 -71.7 -77.3 -2.5 22.9 -37.2 456 663 A R S < S+ 0 0 183 -4,-1.9 2,-0.1 2,-0.1 0, 0.0 -0.373 117.4 42.8 -58.2 158.1 -1.3 23.5 -40.7 457 664 A D S S+ 0 0 84 1,-0.1 2,-0.6 0, 0.0 6,-0.0 -0.412 89.1 78.3 78.4-174.9 -4.2 21.9 -42.6 458 665 A L S S+ 0 0 37 1,-0.2 4,-0.4 -2,-0.1 3,-0.2 0.206 86.4 71.8 61.5 -27.6 -7.2 23.3 -40.6 459 666 A K S >> S+ 0 0 129 -2,-0.6 4,-3.0 -4,-0.3 3,-0.7 0.676 83.8 63.9 -83.5 -25.0 -6.0 26.1 -42.9 460 667 A S H 3> S+ 0 0 24 1,-0.3 4,-0.8 2,-0.2 5,-0.4 0.526 87.4 70.8 -74.8 -5.7 -7.6 23.9 -45.5 461 668 A A H 3> S+ 0 0 1 -3,-0.2 4,-1.0 3,-0.2 -1,-0.3 0.875 113.7 24.7 -75.0 -38.0 -10.7 24.7 -43.5 462 669 A K H <> S+ 0 0 115 -3,-0.7 4,-0.9 -4,-0.4 -2,-0.2 0.934 118.4 58.2 -86.1 -63.2 -10.4 28.2 -45.0 463 670 A A H < S+ 0 0 67 -4,-3.0 4,-0.3 2,-0.2 5,-0.2 0.774 119.2 35.4 -36.3 -36.6 -8.5 27.5 -48.1 464 671 A D H X S+ 0 0 62 -4,-0.8 4,-0.7 -5,-0.2 -2,-0.2 0.952 123.5 35.0 -86.4 -73.4 -11.3 25.1 -49.0 465 672 A A H < S+ 0 0 16 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.2 0.221 101.9 101.0 -68.7 22.5 -14.6 26.6 -47.8 466 673 A K T < S+ 0 0 147 -4,-0.9 -3,-0.1 -6,-0.1 -2,-0.1 0.827 98.4 1.4 -69.5-107.5 -13.0 29.9 -48.7 467 674 A V T 4 S+ 0 0 86 -4,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.932 119.9 91.9 -45.8 -51.4 -14.2 31.1 -52.1 468 675 A M < - 0 0 91 -4,-0.7 -4,-0.0 -5,-0.2 2,-0.0 -0.010 59.7-170.4 -42.8 147.7 -16.4 28.1 -52.1 469 676 A K + 0 0 190 4,-0.0 -1,-0.1 5,-0.0 -4,-0.1 -0.439 45.9 83.1-148.1 69.4 -19.9 28.7 -50.6 470 677 A D S S- 0 0 79 -2,-0.0 -5,-0.0 -5,-0.0 -2,-0.0 0.247 79.2-104.8-130.4-102.9 -22.0 25.6 -50.0 471 678 A A S S+ 0 0 58 0, 0.0 -6,-0.0 0, 0.0 -3,-0.0 0.242 102.2 72.3-172.4 -25.9 -22.0 23.0 -47.1 472 679 A K S > S+ 0 0 177 2,-0.2 3,-0.8 1,-0.1 -7,-0.1 0.911 106.9 40.6 -68.9 -44.2 -20.2 20.0 -48.5 473 680 A T G > S+ 0 0 26 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.943 107.2 62.1 -68.7 -48.6 -16.9 21.8 -48.4 474 681 A K G 3 S+ 0 0 108 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.300 87.4 77.7 -63.3 13.3 -17.7 23.5 -45.0 475 682 A K G < S+ 0 0 124 -3,-0.8 4,-0.5 2,-0.2 -1,-0.3 0.388 83.8 62.1-100.4 -1.9 -17.8 19.9 -43.6 476 683 A V S <> S+ 0 0 47 -3,-2.3 4,-1.1 2,-0.1 -2,-0.2 0.627 96.6 59.3 -94.3 -20.3 -14.0 19.8 -43.6 477 684 A V H > S+ 0 0 24 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.874 104.1 47.6 -76.9 -40.1 -13.9 22.7 -41.1 478 685 A E H 4 S+ 0 0 86 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.867 112.2 51.8 -68.8 -33.9 -15.9 21.0 -38.4 479 686 A S H >> S+ 0 0 38 -4,-0.5 4,-1.3 2,-0.2 3,-1.0 0.832 102.5 60.6 -69.9 -32.6 -13.6 17.9 -38.9 480 687 A K H >< S+ 0 0 27 -4,-1.1 3,-1.5 1,-0.3 4,-0.4 0.982 105.2 45.8 -55.7 -58.6 -10.6 20.1 -38.5 481 688 A K T 3X S+ 0 0 119 -4,-1.7 4,-1.0 1,-0.3 -1,-0.3 0.493 102.1 68.8 -63.9 -3.8 -11.6 21.1 -35.0 482 689 A K H <> S+ 0 0 137 -3,-1.0 4,-1.0 2,-0.2 3,-0.3 0.859 102.1 44.0 -79.8 -38.5 -12.3 17.3 -34.5 483 690 A A H S+ 0 0 31 -4,-0.4 4,-1.2 -5,-0.2 -2,-0.2 0.847 105.6 27.4 -87.2 -38.0 -8.4 19.9 -32.4 485 692 A Q H X S+ 0 0 132 -4,-1.0 4,-1.0 -3,-0.3 5,-0.2 0.668 118.3 62.4 -92.3 -21.4 -9.8 18.8 -29.0 486 693 A R H X S+ 0 0 121 -4,-1.0 4,-0.5 -5,-0.2 -2,-0.2 0.783 120.3 22.7 -72.9 -27.5 -8.7 15.2 -29.7 487 694 A L H < S+ 0 0 11 -4,-0.6 4,-0.5 2,-0.2 6,-0.3 0.780 113.3 64.4-106.2 -46.0 -5.1 16.3 -29.9 488 695 A E H X S+ 0 0 57 -4,-1.2 4,-2.9 -5,-0.3 3,-0.4 0.858 112.1 43.7 -48.4 -32.5 -5.1 19.6 -27.9 489 696 A E H X S+ 0 0 13 -4,-1.0 4,-6.5 2,-0.3 -1,-0.3 0.952 103.2 61.0 -74.5 -51.7 -6.0 17.1 -25.1 490 697 A Q H < S+ 0 0 61 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.506 114.9 40.4 -53.2 2.8 -3.4 14.7 -26.3 491 698 A L H >4 S+ 0 0 33 -4,-0.5 3,-0.9 -3,-0.4 4,-0.4 0.675 121.0 37.9-113.5 -53.5 -1.3 17.7 -25.4 492 699 A M H >< S+ 0 0 94 -4,-2.9 3,-0.5 1,-0.3 4,-0.4 0.736 104.6 73.8 -71.1 -23.8 -3.0 18.8 -22.2 493 700 A K T 3< S+ 0 0 113 -4,-6.5 -1,-0.3 -6,-0.3 -3,-0.1 0.190 109.0 30.6 -75.8 16.5 -3.5 15.2 -21.4 494 701 A L T <> S+ 0 0 49 -3,-0.9 4,-0.6 -5,-0.2 -1,-0.2 0.279 89.9 95.8-150.3 -5.6 0.3 15.1 -20.6 495 702 A E H <> S+ 0 0 86 -3,-0.5 4,-0.7 -4,-0.4 -2,-0.1 0.676 86.8 55.4 -65.2 -16.7 0.8 18.6 -19.3 496 703 A V H >> S+ 0 0 22 -4,-0.4 4,-3.0 2,-0.2 3,-1.7 0.959 94.8 59.2 -79.3 -59.1 0.3 17.2 -15.9 497 704 A Q H 3> S+ 0 0 61 1,-0.3 4,-0.7 2,-0.2 5,-0.2 0.704 102.8 62.2 -44.2 -18.0 3.0 14.5 -15.9 498 705 A A H 3< S+ 0 0 41 -4,-0.6 4,-0.4 1,-0.1 -1,-0.3 0.929 114.1 28.3 -74.1 -48.4 5.2 17.6 -16.5 499 706 A T H << S+ 0 0 13 -3,-1.7 4,-0.5 -4,-0.7 -2,-0.2 0.633 122.2 56.5 -86.7 -18.4 4.3 19.2 -13.2 500 707 A D H >< S+ 0 0 27 -4,-3.0 3,-2.3 2,-0.2 4,-0.4 0.979 107.3 38.7 -75.4 -77.5 3.7 15.9 -11.4 501 708 A R T 3< S+ 0 0 90 -4,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.673 119.3 51.5 -49.6 -21.5 6.9 13.8 -11.8 502 709 A E T 3 S+ 0 0 149 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.691 121.0 31.8 -90.6 -19.7 8.9 17.0 -11.3 503 710 A E S < S+ 0 0 114 -3,-2.3 -2,-0.2 -4,-0.5 -1,-0.2 0.023 126.6 44.5-120.6 22.8 7.0 17.9 -8.1 504 711 A N S S+ 0 0 21 -4,-0.4 -3,-0.1 -3,-0.1 -2,-0.1 0.017 79.3 109.5-156.1 32.7 6.4 14.3 -7.1 505 712 A K S S+ 0 0 53 -3,-0.1 -3,-0.1 -5,-0.1 -2,-0.1 0.932 87.7 19.6 -77.2 -91.7 9.7 12.4 -7.6 506 713 A Q S S+ 0 0 162 1,-0.2 2,-1.0 2,-0.0 -1,-0.1 0.804 121.8 67.7 -50.1 -32.8 11.5 11.4 -4.4 507 714 A I S S- 0 0 24 -75,-0.1 -75,-0.3 2,-0.0 -1,-0.2 -0.752 74.0-170.0 -98.5 92.9 8.1 11.9 -2.6 508 715 A A - 0 0 44 -2,-1.0 -77,-0.4 -77,-0.8 3,-0.1 -0.329 12.1-158.7 -75.2 160.0 5.7 9.1 -3.8 509 716 A L > + 0 0 23 -5,-0.1 4,-1.0 1,-0.1 -1,-0.1 -0.284 46.8 126.5-138.8 52.3 2.0 9.2 -2.9 510 717 A G T 4 S+ 0 0 64 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.679 80.0 53.3 -80.9 -17.3 0.6 5.7 -3.3 511 718 A T T >> S+ 0 0 46 3,-0.1 4,-2.4 -85,-0.1 3,-1.4 0.856 98.6 64.9 -81.8 -39.7 -0.8 5.9 0.3 512 719 A S T 34 S+ 0 0 1 1,-0.3 2,-2.1 2,-0.2 5,-0.4 0.951 98.8 49.4 -46.2 -68.2 -2.6 9.2 -0.4 513 720 A K T 3< S+ 0 0 55 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.031 126.6 28.4 -68.3 35.8 -5.1 7.8 -3.0 514 721 A L T <4 S+ 0 0 63 -2,-2.1 -2,-0.2 -3,-1.4 -1,-0.2 0.236 120.0 26.5-152.2 -70.5 -5.9 5.0 -0.5 515 722 A N S < S+ 0 0 73 -4,-2.4 2,-4.6 1,-0.1 -1,-0.5 0.056 111.6 28.0 -87.4-157.3 -5.5 5.7 3.2 516 723 A F S S+ 0 0 16 -3,-0.1 2,-0.5 2,-0.0 -122,-0.3 0.248 98.8 90.5 23.1 -6.2 -5.7 9.0 5.0 517 724 A L S S- 0 0 13 -2,-4.6 -274,-0.1 -5,-0.4 -126,-0.1 -0.952 79.8-124.5-118.5 124.1 -8.1 10.7 2.5 518 725 A D > - 0 0 1 -2,-0.5 4,-0.5 -128,-0.2 3,-0.2 -0.509 17.7-149.5 -63.0 123.4 -11.9 10.4 2.9 519 726 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 3,-0.3 0.691 93.3 67.8 -69.6 -17.6 -13.0 8.9 -0.4 520 727 A R H >>S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.965 88.6 63.0 -65.5 -51.0 -16.2 10.7 -0.1 521 728 A I H >5S+ 0 0 7 1,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.818 116.4 33.0 -40.4 -36.3 -14.4 14.1 -0.6 522 729 A T H X5S+ 0 0 6 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.848 113.6 56.7 -91.5 -41.4 -13.6 12.7 -4.0 523 730 A V H X5S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.781 112.0 44.5 -61.5 -31.1 -16.7 10.6 -4.8 524 731 A A H X5S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.912 109.7 53.7 -79.2 -47.0 -18.9 13.7 -4.4 525 732 A W H X<>S+ 0 0 0 -4,-2.1 5,-1.0 1,-0.2 3,-1.0 0.998 109.6 43.3 -61.6 -69.4 -16.9 13.3 -9.0 527 734 A K H ><5S+ 0 0 101 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.756 109.7 64.4 -45.2 -32.1 -20.7 13.1 -9.2 528 735 A K H 3<5S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.923 111.7 29.2 -60.8 -52.2 -20.6 17.0 -9.0 529 736 A W T <<5S- 0 0 96 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 -0.046 109.9-112.8-102.6 31.3 -18.9 17.6 -12.3 530 737 A G T < 5 + 0 0 65 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.505 65.6 154.5 53.3 3.2 -20.3 14.5 -14.0 531 738 A V < - 0 0 5 -5,-1.0 -1,-0.2 -6,-0.3 2,-0.1 -0.425 48.4-112.1 -65.5 131.0 -16.6 13.2 -14.0 532 739 A P >> - 0 0 73 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.396 11.4-145.4 -66.8 133.9 -16.5 9.4 -14.1 533 740 A I H >> S+ 0 0 31 1,-0.3 4,-1.6 2,-0.2 3,-1.3 0.903 97.7 68.3 -64.3 -40.9 -15.2 7.6 -11.0 534 741 A E H 34 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.665 93.3 62.2 -52.5 -17.3 -13.6 4.9 -13.1 535 742 A K H <4 S+ 0 0 55 -3,-1.2 -1,-0.3 3,-0.1 -2,-0.2 0.856 112.2 29.7 -80.5 -36.5 -11.2 7.6 -14.4 536 743 A I H << S+ 0 0 23 -3,-1.3 -2,-0.2 -4,-0.6 2,-0.1 0.939 122.9 40.4 -86.2 -60.1 -9.5 8.5 -11.1 537 744 A Y S < S- 0 0 11 -4,-1.6 2,-0.2 1,-0.1 -24,-0.0 -0.404 81.5-127.5 -86.1 165.3 -9.7 5.2 -9.1 538 745 A N > - 0 0 75 -2,-0.1 4,-2.1 -3,-0.0 5,-0.4 -0.646 36.6 -79.5-112.8 172.5 -9.1 1.7 -10.7 539 746 A K H > S+ 0 0 153 1,-0.2 4,-0.5 -2,-0.2 -2,-0.0 0.757 129.0 38.1 -34.2 -46.3 -11.0 -1.6 -10.7 540 747 A T H >> S+ 0 0 87 2,-0.2 4,-1.1 1,-0.1 3,-0.9 0.926 111.5 55.9 -78.1 -48.4 -9.9 -2.6 -7.3 541 748 A Q H >> S+ 0 0 30 1,-0.3 3,-2.2 2,-0.2 4,-2.0 0.950 103.4 54.4 -49.4 -58.5 -10.0 0.8 -5.6 542 749 A R H 3< S+ 0 0 94 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.797 105.7 56.9 -46.6 -31.8 -13.7 1.3 -6.5 543 750 A E H << S+ 0 0 120 -3,-0.9 3,-0.4 -4,-0.5 -1,-0.3 0.781 106.9 45.7 -73.8 -27.5 -14.3 -2.0 -4.8 544 751 A K H << S+ 0 0 35 -3,-2.2 3,-0.3 -4,-1.1 -2,-0.2 0.817 118.9 42.7 -82.5 -31.2 -12.8 -1.0 -1.5 545 752 A F S X S+ 0 0 1 -4,-2.0 4,-1.0 -5,-0.2 3,-0.3 0.102 73.1 122.2 -99.8 19.5 -14.7 2.3 -1.6 546 753 A A H > S+ 0 0 38 -3,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.691 78.8 51.2 -55.6 -17.5 -18.0 0.8 -2.8 547 754 A W H > S+ 0 0 4 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.869 106.6 51.7 -85.9 -40.0 -19.5 2.4 0.4 548 755 A A H 4 S+ 0 0 0 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.514 114.3 45.9 -74.5 -4.4 -18.0 5.8 -0.3 549 756 A I H >< S+ 0 0 36 -4,-1.0 3,-1.0 -7,-0.1 -2,-0.2 0.856 110.3 46.2 -99.0 -58.1 -19.5 5.7 -3.8 550 757 A D H 3< S+ 0 0 61 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.785 120.2 39.3 -56.7 -34.4 -23.1 4.4 -3.3 551 758 A M T 3< S+ 0 0 77 -4,-1.6 2,-0.3 -5,-0.1 -1,-0.2 -0.199 94.0 84.8-119.8 47.1 -23.8 6.8 -0.4 552 759 A A < - 0 0 6 -3,-1.0 2,-0.2 -29,-0.1 -25,-0.1 -0.989 52.6-164.7-143.7 130.2 -22.2 10.2 -1.1 553 760 A D > - 0 0 47 -2,-0.3 3,-3.1 1,-0.1 -29,-0.1 -0.678 44.0-100.2-111.5 167.6 -23.8 13.0 -3.1 554 761 A E T 3 S+ 0 0 104 1,-0.3 -30,-0.1 -2,-0.2 -1,-0.1 0.798 124.5 69.8 -52.6 -25.4 -22.3 16.1 -4.7 555 762 A D T 3 S+ 0 0 152 2,-0.0 -1,-0.3 -31,-0.0 2,-0.2 0.374 75.1 118.8 -73.4 -1.0 -23.9 17.5 -1.5 556 763 A Y < - 0 0 37 -3,-3.1 2,-0.4 -36,-0.1 -4,-0.1 -0.473 38.6-178.8 -74.5 141.4 -21.3 15.8 0.7 557 764 A E 0 0 60 -2,-0.2 -2,-0.0 1,-0.2 -36,-0.0 -0.960 360.0 360.0-143.5 120.2 -19.0 17.8 3.0 558 765 A F 0 0 1 -2,-0.4 -1,-0.2 -164,-0.1 -308,-0.1 0.989 360.0 360.0 -66.2 360.0 -16.3 16.3 5.2