==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 03-OCT-03 1R49 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.INTERTHAL,P.M.QUIGLEY,W.G.HOL,J.J.CHAMPOUX . 547 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 7.9 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 . 2 0.4 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 . 37 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 37.1 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+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 1 2 0 0 1 1 1 2 2 0 3 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 2 4 1 3 0 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 . 1 3 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 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 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 -23.5 -5.2 -6.6 2 203 A W - 0 0 86 1,-0.2 230,-0.1 537,-0.0 2,-0.1 -0.780 360.0-106.8 170.7-168.6 -21.7 -5.9 -3.5 3 204 A K + 0 0 74 -2,-0.2 -1,-0.2 142,-0.0 3,-0.1 0.395 53.3 43.4 -57.7-143.7 -23.7 -4.3 0.7 4 205 A W + 0 0 20 1,-0.1 229,-0.0 -2,-0.1 536,-0.0 -0.795 52.0 90.9 172.9 -36.2 -23.6 -2.4 2.8 5 206 A W S S+ 0 0 50 1,-0.2 2,-2.2 3,-0.0 4,-0.2 0.996 105.5 63.6 -50.6 -27.4 -23.2 1.2 3.9 6 207 A E S S+ 0 0 148 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.400 94.4 104.2 -79.3 77.9 -26.9 1.0 3.4 7 208 A E S S- 0 0 107 -2,-2.2 2,-0.9 -4,-0.1 -4,-0.0 -0.958 80.0 -95.3-160.1 165.7 -26.7 -1.5 6.3 8 209 A E - 0 0 171 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.770 52.5 -95.8-105.4 99.6 -27.5 -1.5 10.0 9 210 A R - 0 0 204 -2,-0.9 -1,-0.1 -4,-0.2 -4,-0.0 0.428 27.8-138.3 -5.1 105.1 -24.6 -0.8 12.4 10 211 A Y - 0 0 68 1,-0.1 -1,-0.1 5,-0.1 3,-0.1 -0.669 32.4-118.1 -64.0 129.8 -22.9 -3.8 13.8 11 212 A P > - 0 0 86 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.309 34.8 -85.2 -70.0 156.2 -22.2 -3.0 17.5 12 213 A E T 3 S+ 0 0 179 1,-0.2 2,-0.4 3,-0.0 3,-0.1 -0.220 111.9 32.0 -50.7 148.8 -18.7 -2.8 18.9 13 214 A G T 3 S+ 0 0 34 1,-0.1 2,-0.5 195,-0.1 -1,-0.2 -0.182 98.0 90.5 94.4 -41.9 -17.2 -6.1 20.0 14 215 A I < + 0 0 42 -3,-0.9 194,-0.2 -2,-0.4 -1,-0.1 -0.785 41.3 170.2 -92.5 126.0 -18.9 -8.3 17.5 15 216 A K - 0 0 64 192,-1.8 2,-0.3 -2,-0.5 -1,-0.2 0.843 66.7 -12.1 -96.1 -48.4 -17.1 -8.8 14.2 16 217 A W - 0 0 7 191,-0.6 -1,-0.4 193,-0.1 3,-0.1 -0.964 38.0-154.6-149.7 163.2 -19.2 -11.6 12.7 17 218 A K S S+ 0 0 143 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.730 91.1 27.6-105.5 -41.1 -22.0 -14.0 13.4 18 219 A F + 0 0 56 168,-0.1 125,-3.5 2,-0.0 -1,-0.4 -0.987 65.0 168.7-125.6 133.7 -21.2 -16.6 10.7 19 220 A L E +A 142 0A 0 -2,-0.4 167,-3.0 123,-0.2 2,-0.3 -0.942 6.8 155.8-146.4 121.6 -17.7 -17.2 9.2 20 221 A E E +A 141 0A 50 121,-1.7 121,-2.7 -2,-0.3 2,-0.2 -0.988 6.3 154.2-149.3 136.5 -16.7 -20.2 7.0 21 222 A H - 0 0 16 -2,-0.3 119,-0.1 169,-0.2 116,-0.1 -0.746 47.7-105.2-145.4-168.1 -13.9 -20.7 4.5 22 223 A K - 0 0 85 117,-0.4 118,-0.1 1,-0.3 169,-0.0 0.169 60.6-113.0-116.7 15.9 -11.7 -23.3 2.7 23 224 A G - 0 0 8 2,-0.1 -1,-0.3 114,-0.1 2,-0.2 -0.036 46.8 -46.5 77.4 178.5 -8.4 -22.7 4.5 24 225 A P - 0 0 10 0, 0.0 2,-0.8 0, 0.0 129,-0.2 -0.588 46.5-119.8 -93.0 145.5 -5.1 -21.4 3.2 25 226 A V B -c 153 0B 28 127,-2.3 129,-2.9 -2,-0.2 -2,-0.1 -0.736 35.2-145.6 -83.9 108.8 -3.3 -22.3 0.0 26 227 A F - 0 0 47 -2,-0.8 151,-0.1 127,-0.2 149,-0.0 -0.224 28.5 -85.0 -72.1 162.1 0.1 -23.7 1.1 27 228 A A - 0 0 17 149,-0.3 -1,-0.1 128,-0.2 3,-0.1 -0.528 53.8-104.0 -70.1 128.3 3.3 -23.2 -0.9 28 229 A P - 0 0 101 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.225 49.8 -85.3 -53.8 137.9 3.6 -25.9 -3.5 29 230 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.036 54.2 -92.3 -47.5 145.9 6.2 -28.7 -2.6 30 231 A Y - 0 0 51 -3,-0.1 24,-0.1 1,-0.1 -3,-0.0 -0.450 33.8-140.7 -70.3 124.1 9.8 -27.9 -3.5 31 232 A E - 0 0 136 -2,-0.3 -1,-0.1 -3,-0.1 0, 0.0 -0.772 22.8-125.2 -87.3 118.3 10.9 -29.2 -6.9 32 233 A P - 0 0 93 0, 0.0 -1,-0.0 0, 0.0 22,-0.0 -0.210 34.6 -89.1 -62.8 152.5 14.4 -30.6 -6.8 33 234 A L - 0 0 20 1,-0.1 4,-0.0 2,-0.1 21,-0.0 -0.303 45.0-104.7 -66.2 142.3 17.0 -29.3 -9.1 34 235 A P > - 0 0 43 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.102 34.8-105.2 -55.6 164.3 17.5 -30.9 -12.6 35 236 A E T 3 S+ 0 0 153 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.948 117.3 50.6 -61.9 -52.1 20.5 -33.1 -13.1 36 237 A N T 3 S+ 0 0 130 1,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.154 90.1 90.1 -79.1 21.2 22.6 -30.7 -15.2 37 238 A V < + 0 0 13 -3,-1.2 2,-0.2 -4,-0.0 -1,-0.1 -0.905 65.4 179.8-115.8 100.7 22.1 -27.9 -12.7 38 239 A K - 0 0 82 -2,-0.6 2,-0.4 9,-0.1 66,-0.3 -0.571 27.3-148.0-108.8 163.0 25.0 -28.3 -10.3 39 240 A F E -D 46 0C 4 7,-1.0 7,-1.8 -2,-0.2 2,-0.5 -0.954 15.4-163.4-131.5 112.7 26.4 -26.6 -7.2 40 241 A Y E -DE 45 100C 54 60,-0.9 60,-2.1 -2,-0.4 2,-0.7 -0.829 7.4-161.5-102.1 131.0 30.2 -26.6 -6.6 41 242 A Y E > S-DE 44 99C 19 3,-2.7 3,-0.6 -2,-0.5 58,-0.2 -0.895 88.5 -8.3-109.5 102.6 31.8 -25.8 -3.2 42 243 A D T 3 S- 0 0 97 56,-2.3 -1,-0.2 -2,-0.7 57,-0.1 0.703 130.3 -59.3 82.9 24.3 35.5 -24.8 -3.8 43 244 A G T 3 S+ 0 0 60 55,-0.4 2,-0.5 1,-0.3 -1,-0.2 0.163 113.5 125.4 86.4 -18.0 35.1 -25.9 -7.5 44 245 A K E < -D 41 0C 156 -3,-0.6 -3,-2.7 1,-0.1 -1,-0.3 -0.640 66.8-120.4 -77.9 121.4 34.2 -29.3 -6.1 45 246 A V E -D 40 0C 72 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.338 37.3-176.0 -62.4 137.5 30.9 -30.5 -7.5 46 247 A M E -D 39 0C 33 -7,-1.8 -7,-1.0 -2,-0.0 2,-0.6 -0.995 26.9-154.3-142.0 144.8 28.2 -31.2 -4.9 47 248 A K - 0 0 163 -2,-0.3 2,-0.1 -9,-0.1 -9,-0.1 -0.928 27.1-153.4-117.5 103.6 24.7 -32.6 -4.6 48 249 A L - 0 0 12 -2,-0.6 37,-0.0 1,-0.1 -2,-0.0 -0.362 23.9 -96.2 -78.0 154.2 23.0 -31.2 -1.5 49 250 A S >> - 0 0 32 1,-0.1 4,-3.9 -2,-0.1 3,-0.6 -0.295 43.5-103.6 -61.0 154.1 20.2 -32.9 0.5 50 251 A P H 3> S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.818 122.0 49.1 -54.7 -37.6 16.7 -31.6 -0.5 51 252 A K H 3> S+ 0 0 126 2,-0.2 4,-1.2 1,-0.2 33,-0.1 0.844 118.7 39.4 -71.3 -34.6 16.4 -29.5 2.7 52 253 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.847 114.4 53.1 -80.5 -37.4 19.9 -27.9 2.1 53 254 A E H X S+ 0 0 26 -4,-3.9 4,-1.6 2,-0.2 -2,-0.2 0.827 104.8 58.2 -66.1 -33.1 19.4 -27.7 -1.7 54 255 A E H >X S+ 0 0 32 -4,-1.7 4,-1.2 -5,-0.3 3,-0.9 0.989 108.1 43.0 -58.5 -61.4 16.1 -25.8 -1.1 55 256 A V H >X S+ 0 0 3 -4,-1.2 4,-1.4 1,-0.3 3,-0.8 0.904 107.8 61.5 -51.8 -45.9 17.8 -23.1 0.9 56 257 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -1,-0.3 0.873 101.0 53.8 -49.1 -41.8 20.6 -22.9 -1.6 57 258 A T H < S+ 0 0 0 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.831 104.5 49.1 -57.4 -34.4 20.7 -18.6 -5.9 61 262 A K H 3< S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.842 112.2 46.3 -76.4 -34.2 17.7 -16.5 -6.9 62 263 A M T >< S+ 0 0 10 -4,-1.0 3,-1.8 -5,-0.2 6,-0.5 0.179 76.7 112.3 -93.8 18.8 19.0 -13.4 -5.1 63 264 A L T < S+ 0 0 54 -3,-0.7 -1,-0.2 1,-0.3 -3,-0.1 0.195 78.1 51.4 -78.4 20.2 22.5 -13.8 -6.5 64 265 A D T 3 S+ 0 0 112 -3,-0.2 -1,-0.3 41,-0.0 2,-0.2 0.167 95.9 92.0-133.9 11.9 21.9 -10.6 -8.5 65 266 A H S < S- 0 0 66 -3,-1.8 3,-0.4 1,-0.1 4,-0.1 -0.715 79.7-119.6-115.7 160.6 20.7 -8.4 -5.6 66 267 A E S > S+ 0 0 118 -2,-0.2 3,-2.5 1,-0.2 4,-0.4 0.842 105.5 72.2 -63.8 -35.1 22.3 -6.0 -3.2 67 268 A Y G > S+ 0 0 31 1,-0.3 3,-1.9 2,-0.2 7,-0.3 0.906 94.4 52.1 -46.5 -50.7 21.1 -8.1 -0.2 68 269 A T G 3 S+ 0 0 9 -6,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.425 101.5 61.8 -73.9 1.7 23.7 -10.8 -1.0 69 270 A T G < S+ 0 0 96 -3,-2.5 2,-0.4 -4,-0.1 -1,-0.3 0.451 89.1 89.9 -99.6 -3.4 26.5 -8.2 -1.1 70 271 A K S <> S- 0 0 92 -3,-1.9 4,-2.4 -4,-0.4 5,-0.2 -0.778 70.4-141.6-103.7 138.8 25.9 -7.3 2.6 71 272 A E H > S+ 0 0 155 -2,-0.4 4,-3.8 2,-0.2 5,-0.3 0.943 99.1 55.1 -60.9 -55.2 27.6 -8.9 5.6 72 273 A I H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 113.4 45.6 -46.1 -45.7 24.7 -8.9 8.0 73 274 A F H > S+ 0 0 0 -6,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.978 116.2 42.3 -59.7 -60.7 22.7 -10.8 5.3 74 275 A R H X S+ 0 0 69 -4,-2.4 4,-1.7 -7,-0.3 5,-0.2 0.793 113.5 55.0 -60.6 -31.3 25.4 -13.3 4.4 75 276 A K H X S+ 0 0 128 -4,-3.8 4,-1.5 -5,-0.2 -1,-0.2 0.951 114.2 38.4 -66.6 -50.2 26.2 -13.8 8.1 76 277 A N H X S+ 0 0 19 -4,-2.2 4,-1.9 93,-0.3 96,-0.3 0.870 113.7 56.5 -69.3 -39.0 22.6 -14.6 9.1 77 278 A F H X S+ 0 0 1 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.949 107.6 45.4 -58.9 -53.8 21.9 -16.7 6.0 78 279 A F H X S+ 0 0 23 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.941 110.1 53.3 -59.2 -51.1 24.8 -19.1 6.3 79 280 A K H X S+ 0 0 60 -4,-1.5 4,-0.8 1,-0.3 -1,-0.2 0.911 114.4 42.6 -50.3 -47.5 24.2 -19.8 10.0 80 281 A D H X S+ 0 0 17 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.854 113.6 51.9 -69.2 -35.6 20.6 -20.7 9.3 81 282 A W H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.797 102.2 61.3 -69.2 -29.0 21.6 -22.6 6.2 82 283 A R H >< S+ 0 0 83 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.790 99.9 55.7 -66.5 -27.2 24.1 -24.5 8.4 83 284 A K H 3< S+ 0 0 132 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.820 100.9 56.2 -75.4 -31.8 21.1 -25.7 10.5 84 285 A E T 3< S+ 0 0 51 -4,-0.9 2,-0.4 -3,-0.2 -1,-0.3 0.030 93.9 103.3 -88.1 28.4 19.4 -27.2 7.4 85 286 A M < - 0 0 7 -3,-0.8 2,-0.1 -34,-0.1 -3,-0.0 -0.925 69.3-127.6-120.9 137.2 22.5 -29.3 6.8 86 287 A T > - 0 0 58 -2,-0.4 4,-3.7 1,-0.1 5,-0.2 -0.427 36.8-103.8 -74.3 152.6 23.2 -33.0 7.4 87 288 A N H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.835 122.0 59.6 -44.8 -40.5 26.4 -33.9 9.3 88 289 A E H > S+ 0 0 156 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.983 117.7 27.3 -49.1 -68.8 27.9 -34.9 6.0 89 290 A E H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.933 114.6 65.0 -62.7 -50.0 27.5 -31.4 4.4 90 291 A K H < S+ 0 0 67 -4,-3.7 -1,-0.2 1,-0.3 -3,-0.2 0.890 107.0 42.9 -36.8 -56.7 27.7 -29.6 7.8 91 292 A N H < S+ 0 0 130 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.864 118.8 44.6 -62.4 -38.8 31.3 -30.8 8.2 92 293 A I H < S+ 0 0 71 -4,-1.4 2,-0.8 -3,-0.4 -2,-0.2 0.981 103.8 60.1 -72.8 -60.9 32.3 -30.0 4.6 93 294 A I < + 0 0 0 -4,-2.4 -1,-0.1 1,-0.2 3,-0.1 -0.619 55.8 155.5 -75.1 109.0 30.7 -26.6 3.9 94 295 A T + 0 0 89 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.659 61.4 28.6-108.3 -24.1 32.4 -24.3 6.5 95 296 A N - 0 0 54 1,-0.1 3,-0.5 -17,-0.0 -1,-0.3 -0.990 60.9-139.5-142.3 152.4 32.0 -20.9 4.7 96 297 A L S > S+ 0 0 15 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.852 96.5 67.3 -76.4 -36.1 29.6 -19.3 2.2 97 298 A S T 3 S+ 0 0 93 1,-0.3 -1,-0.2 -56,-0.1 -55,-0.1 0.708 96.1 57.1 -61.9 -20.7 32.2 -17.5 0.1 98 299 A K T 3 S+ 0 0 89 -3,-0.5 -56,-2.3 -57,-0.1 -55,-0.4 0.606 88.1 96.5 -86.4 -12.5 33.6 -20.8 -1.1 99 300 A C E < -E 41 0C 17 -3,-1.9 2,-0.6 -58,-0.2 -58,-0.2 -0.530 63.0-149.8 -80.5 143.9 30.2 -21.9 -2.5 100 301 A D E +E 40 0C 57 -60,-2.1 -60,-0.9 -2,-0.2 3,-0.3 -0.910 27.1 161.4-120.7 104.4 29.4 -21.4 -6.2 101 302 A F >> + 0 0 7 -2,-0.6 4,-2.8 1,-0.2 3,-0.6 0.447 44.6 109.2 -95.4 -3.3 25.7 -20.8 -7.0 102 303 A T H 3> S+ 0 0 64 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.753 79.0 48.7 -51.7 -31.8 26.4 -19.2 -10.5 103 304 A Q H 3> S+ 0 0 63 -3,-0.3 4,-1.6 -65,-0.2 -1,-0.3 0.905 112.8 45.8 -74.8 -43.6 25.0 -22.3 -12.3 104 305 A M H <> S+ 0 0 0 -3,-0.6 4,-1.9 -66,-0.3 5,-0.2 0.862 112.6 54.0 -64.6 -36.8 21.8 -22.5 -10.2 105 306 A S H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.979 107.3 47.7 -59.4 -58.3 21.5 -18.7 -10.7 106 307 A Q H X S+ 0 0 112 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.842 108.9 60.1 -50.8 -35.1 21.7 -18.9 -14.5 107 308 A Y H X S+ 0 0 56 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.947 107.0 39.5 -62.8 -55.5 19.1 -21.7 -14.3 108 309 A F H X S+ 0 0 25 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.819 113.0 58.4 -66.4 -29.7 16.3 -19.8 -12.7 109 310 A K H X S+ 0 0 106 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.855 109.5 44.3 -64.5 -36.2 17.2 -16.9 -14.9 110 311 A A H X S+ 0 0 54 -4,-1.8 4,-3.9 -5,-0.2 -2,-0.2 0.940 112.0 52.5 -68.3 -49.6 16.6 -19.2 -17.8 111 312 A Q H X S+ 0 0 60 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.895 111.4 46.7 -52.3 -45.0 13.4 -20.5 -16.1 112 313 A T H X S+ 0 0 66 -4,-3.1 4,-0.6 2,-0.2 -1,-0.2 0.927 115.1 45.5 -64.5 -45.8 12.2 -16.9 -15.8 113 314 A E H X S+ 0 0 101 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.882 112.3 52.5 -63.6 -38.9 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549 A K H X S+ 0 0 89 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.841 114.7 52.0 -57.6 -35.0 12.5 26.3 26.1 349 550 A N H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.848 105.5 54.3 -71.3 -34.8 10.6 23.1 26.9 350 551 A L H < S+ 0 0 0 -4,-3.1 3,-0.4 -3,-0.3 4,-0.4 0.911 104.5 53.3 -66.3 -43.3 12.8 20.9 24.7 351 552 A Q H >< S+ 0 0 90 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.793 104.1 58.4 -61.5 -29.1 16.0 22.1 26.4 352 553 A L H >< S+ 0 0 59 -4,-0.9 3,-0.7 1,-0.2 -1,-0.2 0.860 104.5 48.4 -70.3 -36.8 14.4 21.1 29.8 353 554 A F T 3< S+ 0 0 4 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.519 108.8 62.3 -76.3 -3.8 14.0 17.5 28.6 354 555 A M T < S+ 0 0 55 -3,-0.6 2,-0.4 -4,-0.4 3,-0.2 -0.159 73.5 109.9-120.5 37.1 17.6 17.7 27.5 355 556 A E S < S+ 0 0 120 -3,-0.7 3,-0.1 1,-0.2 -3,-0.0 -0.963 84.2 2.7-117.4 132.5 19.6 18.3 30.7 356 557 A N S S+ 0 0 171 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.964 99.7 120.6 61.6 57.6 21.9 15.8 32.3 357 558 A K - 0 0 49 -3,-0.2 -1,-0.2 4,-0.0 6,-0.0 -0.984 58.9-129.3-152.7 136.8 21.4 13.1 29.6 358 559 A Q > - 0 0 123 -2,-0.3 3,-3.4 1,-0.1 -50,-0.3 -0.664 39.3-105.3 -85.3 141.0 23.6 11.2 27.2 359 560 A P T 3 S+ 0 0 62 0, 0.0 -50,-1.0 0, 0.0 -51,-0.2 0.697 118.2 67.6 -33.1 -32.2 22.6 11.1 23.5 360 561 A E T 3 S+ 0 0 131 -52,-0.1 2,-0.2 -53,-0.1 -2,-0.0 0.474 82.9 98.8 -74.7 -2.5 21.4 7.5 24.0 361 562 A D S < S- 0 0 63 -3,-3.4 -53,-1.6 1,-0.1 2,-0.3 -0.597 85.2 -98.4 -91.6 149.1 18.6 8.6 26.4 362 563 A D B > -L 307 0H 77 -2,-0.2 3,-0.6 -55,-0.2 -55,-0.3 -0.449 23.3-152.1 -66.7 124.7 15.0 9.0 25.4 363 564 A L T 3 S+ 0 0 0 -57,-2.5 2,-1.0 1,-0.3 -56,-0.2 0.937 95.3 42.8 -62.2 -49.3 14.1 12.6 24.7 364 565 A F T > S+ 0 0 0 -58,-0.8 3,-0.6 -60,-0.5 -1,-0.3 -0.574 83.9 167.0 -98.8 69.7 10.4 12.1 25.8 365 566 A D T < + 0 0 53 -2,-1.0 3,-0.1 -3,-0.6 -92,-0.1 -0.378 62.5 37.8 -77.9 164.0 11.0 10.0 28.9 366 567 A R T 3 S+ 0 0 176 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.755 112.2 91.3 60.7 24.0 8.1 9.4 31.3 367 568 A L < + 0 0 12 -3,-0.6 2,-0.3 -63,-0.1 -1,-0.2 -0.992 46.4 157.7-152.4 137.5 6.2 9.3 28.0 368 569 A N > - 0 0 87 -2,-0.3 4,-2.9 -3,-0.1 3,-0.3 -0.957 55.0 -96.6-150.5 168.0 5.1 6.7 25.5 369 570 A T H > S+ 0 0 17 -80,-0.3 4,-3.3 -2,-0.3 5,-0.4 0.905 120.5 62.0 -52.7 -42.8 2.5 6.1 22.8 370 571 A G H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 112.1 34.6 -49.4 -50.9 0.5 4.2 25.3 371 572 A I H > S+ 0 0 43 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.943 116.5 54.3 -70.3 -49.4 0.1 7.3 27.6 372 573 A L H X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.883 112.9 43.3 -54.2 -43.7 -0.1 9.8 24.7 373 574 A N H X S+ 0 0 33 -4,-3.3 4,-2.6 -5,-0.2 3,-0.3 0.872 109.7 56.2 -71.3 -37.9 -2.9 7.9 23.1 374 575 A K H < S+ 0 0 141 -4,-1.6 -2,-0.2 -5,-0.4 -1,-0.2 0.916 107.3 50.1 -58.0 -43.1 -4.7 7.4 26.4 375 576 A H H X S+ 0 0 17 -4,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.770 110.8 52.7 -63.9 -26.3 -4.6 11.1 26.8 376 577 A L H >X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.3 3,-0.9 0.945 104.6 48.8 -78.8 -51.3 -6.1 11.4 23.3 377 578 A Q H 3< S+ 0 0 98 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.435 105.6 67.9 -68.3 4.4 -9.1 9.1 23.6 378 579 A D H 34 S+ 0 0 119 -5,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.845 106.7 33.3 -86.8 -43.2 -9.6 11.2 26.7 379 580 A L H << S+ 0 0 39 -3,-0.9 2,-0.3 -4,-0.8 -2,-0.2 0.948 133.3 18.0 -78.0 -53.9 -10.4 14.4 24.9 380 581 A M S >< S- 0 0 13 -4,-2.0 3,-1.3 3,-0.1 -1,-0.3 -0.930 92.7 -96.8-122.7 147.5 -12.1 12.9 21.8 381 582 A E T 3 S- 0 0 140 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.1 -0.380 101.0 -7.2 -66.5 130.3 -13.7 9.5 21.4 382 583 A G T 3 S+ 0 0 32 -5,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.772 93.2 154.5 57.3 30.7 -11.4 6.9 19.7 383 584 A L < + 0 0 0 -3,-1.3 2,-0.2 -7,-0.1 -1,-0.2 -0.765 13.2 167.5 -94.1 131.8 -8.8 9.5 18.9 384 585 A T > - 0 0 44 -2,-0.4 4,-0.7 -8,-0.2 3,-0.3 -0.749 49.0 -93.8-132.0-179.1 -5.2 8.5 18.4 385 586 A A T >4 S+ 0 0 2 -2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.874 119.1 56.8 -65.6 -39.7 -1.9 9.9 17.1 386 587 A K T >> S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 3,-1.1 0.820 94.3 69.0 -63.2 -32.2 -2.3 8.5 13.6 387 588 A V H 3> S+ 0 0 10 -3,-0.3 4,-2.3 1,-0.2 3,-0.3 0.879 88.6 64.7 -52.5 -41.5 -5.7 10.3 13.2 388 589 A F H S+ 0 0 14 -3,-1.1 4,-2.1 -4,-0.5 -1,-0.2 0.882 107.5 53.6 -72.8 -39.8 -2.1 12.9 9.9 390 591 A T H < S+ 0 0 2 -4,-1.3 4,-0.4 -3,-0.3 121,-0.3 0.916 114.4 42.6 -59.8 -44.4 -5.4 11.8 8.2 391 592 A Y H >X S+ 0 0 23 -4,-2.3 4,-1.7 2,-0.2 3,-1.2 0.953 111.0 54.6 -64.8 -51.7 -6.9 15.1 9.2 392 593 A N H 3X S+ 0 0 21 -4,-2.4 4,-1.0 1,-0.3 -2,-0.2 0.835 117.6 34.8 -55.6 -36.7 -3.9 17.2 8.3 393 594 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.139 112.7 53.6-120.0 21.8 -3.8 15.8 4.8 394 595 A S H X> S+ 0 0 16 -3,-1.2 4,-3.1 -4,-0.4 3,-0.5 0.656 113.6 46.5 -89.0 -58.6 -7.3 15.3 3.8 395 596 A I H 3X S+ 0 0 53 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.849 113.6 50.0 -38.2 -48.4 -7.9 19.0 4.8 396 597 A T H 3X S+ 0 0 36 -4,-1.0 4,-1.9 -5,-0.3 -1,-0.3 0.886 111.4 46.8 -65.9 -41.3 -4.8 19.9 2.8 397 598 A L H <> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 5,-0.3 0.961 111.0 52.5 -62.3 -50.9 -5.9 18.0 -0.3 398 599 A Q H X S+ 0 0 31 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.892 113.7 43.2 -51.6 -45.9 -9.4 19.5 -0.2 399 600 A Q H X S+ 0 0 96 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.833 108.9 59.4 -69.8 -34.1 -8.0 23.0 0.0 400 601 A Q H < S+ 0 0 39 -4,-1.9 3,-0.3 -5,-0.2 4,-0.3 0.900 108.5 41.9 -64.9 -43.4 -5.4 22.3 -2.7 401 602 A L H >X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 3,-1.7 0.943 108.5 57.6 -69.4 -48.7 -7.9 21.4 -5.4 402 603 A K H 3< S+ 0 0 156 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.676 117.9 36.8 -57.5 -15.6 -10.4 24.2 -4.6 403 604 A E T 3< S+ 0 0 120 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.375 126.2 37.7-116.1 -0.9 -7.5 26.5 -5.2 404 605 A L T <4 S+ 0 0 62 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.2 0.752 89.7 92.3-110.2 -51.0 -5.9 24.6 -8.1 405 606 A T < - 0 0 10 -4,-2.9 9,-0.1 12,-0.1 -1,-0.0 -0.269 68.9-141.8 -55.0 116.2 -8.8 23.2 -10.1 406 607 A A > - 0 0 34 7,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.739 8.5-145.2 -85.4 110.8 -9.7 25.7 -12.9 407 608 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 91.7 42.6 -46.2 -38.2 -13.5 25.6 -13.2 408 609 A D T 3 S+ 0 0 133 -3,-0.0 6,-0.1 2,-0.0 -3,-0.0 0.493 90.1 106.6 -96.0 -4.9 -13.7 26.1 -17.0 409 610 A E < - 0 0 93 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.139 69.5-102.9 -74.9 169.5 -11.0 23.8 -18.2 410 611 A N > - 0 0 68 1,-0.0 4,-1.5 4,-0.0 5,-0.2 -0.225 40.4 -88.2 -87.2-179.4 -11.4 20.4 -19.9 411 612 A I H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.909 119.8 44.0 -62.7 -55.2 -11.0 16.9 -18.5 412 613 A P H > S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.882 117.5 48.2 -58.3 -38.5 -7.2 16.1 -18.9 413 614 A A H > S+ 0 0 19 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.756 112.9 48.2 -72.8 -26.0 -6.3 19.6 -17.7 414 615 A K H X S+ 0 0 15 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.2 0.785 107.6 56.4 -79.7 -30.5 -8.7 19.1 -14.8 415 616 A I H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.894 105.6 50.4 -66.6 -40.3 -7.1 15.7 -14.1 416 617 A L H X S+ 0 0 17 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.857 103.8 58.6 -66.7 -36.1 -3.7 17.3 -13.8 417 618 A S H X S+ 0 0 17 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.884 107.4 48.9 -57.8 -37.9 -5.1 19.8 -11.4 418 619 A Y H X S+ 0 0 8 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.939 113.1 44.6 -67.5 -48.3 -6.0 16.8 -9.3 419 620 A N H X S+ 0 0 50 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.873 110.7 55.5 -63.4 -37.9 -2.6 15.2 -9.5 420 621 A R H X S+ 0 0 80 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.900 107.1 49.7 -62.7 -41.8 -0.9 18.5 -8.8 421 622 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.951 106.8 56.0 -58.7 -49.3 -2.9 18.8 -5.6 422 623 A N H X S+ 0 0 24 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.823 105.7 51.3 -53.6 -35.7 -1.9 15.3 -4.7 423 624 A R H < S+ 0 0 42 -4,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.908 108.0 51.5 -67.9 -42.4 1.8 16.3 -5.0 424 625 A A H >< S+ 0 0 28 -4,-1.8 3,-1.2 1,-0.2 4,-0.5 0.821 105.2 56.7 -63.0 -31.7 1.3 19.3 -2.8 425 626 A V H >X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.3 3,-0.6 0.821 99.0 61.1 -67.4 -30.6 -0.3 17.0 -0.2 426 627 A A T 3< S+ 0 0 17 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.090 89.4 75.9 -83.5 23.2 2.9 15.0 -0.3 427 628 A I T <4 S+ 0 0 100 -3,-1.2 -1,-0.2 3,-0.1 -2,-0.2 0.786 94.8 41.8-101.7 -37.8 4.8 18.0 0.9 428 629 A L T <4 S+ 0 0 54 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.913 125.8 35.2 -75.7 -43.6 3.8 18.0 4.6 429 630 A C S < S- 0 0 23 -4,-0.9 -1,-0.2 1,-0.1 -3,-0.1 0.453 115.5-133.0 -79.2 0.8 4.2 14.2 5.0 430 631 A N - 0 0 76 -5,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.113 49.7 -15.1 43.6-177.1 7.1 14.6 2.6 431 632 A H 0 0 92 -4,-0.1 -4,-0.1 -3,-0.1 -8,-0.0 -0.034 360.0 360.0 -83.5 158.8 7.4 12.2 -0.3 432 633 A Q 0 0 120 71,-0.2 -6,-0.1 -6,-0.0 -1,-0.0 -0.869 360.0 360.0-157.6 360.0 5.8 8.8 -1.3 433 ! 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 0.0 434 644 A M 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.8 11.5 11.4 -22.0 435 645 A M > + 0 0 148 0, 0.0 4,-1.0 0, 0.0 3,-0.2 -0.973 360.0 57.2 -90.8 8.4 13.0 12.1 -24.3 436 646 A N T 4 S+ 0 0 88 1,-0.2 5,-0.1 2,-0.2 4,-0.0 0.700 102.5 62.4 -62.7 -20.8 11.0 9.7 -26.4 437 647 A L T >> S+ 0 0 28 1,-0.2 3,-2.1 2,-0.2 4,-1.6 0.951 99.4 49.4 -70.3 -51.7 7.9 11.5 -25.3 438 648 A Q H 3> S+ 0 0 86 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.755 102.7 62.8 -62.1 -26.4 8.8 14.9 -26.8 439 649 A T H 3< S+ 0 0 91 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.446 112.2 37.5 -79.7 -0.0 9.6 13.2 -30.2 440 650 A K H <> S+ 0 0 108 -3,-2.1 4,-1.4 3,-0.1 -2,-0.2 0.495 117.6 51.0-117.4 -21.4 5.9 12.1 -30.2 441 651 A I H X S+ 0 0 3 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.941 116.1 38.8 -76.8 -55.2 4.6 15.4 -28.8 442 652 A D H X S+ 0 0 77 -4,-3.0 4,-1.1 2,-0.2 5,-0.2 0.791 114.1 58.9 -65.2 -29.2 6.5 17.7 -31.2 443 653 A A H >> S+ 0 0 52 -5,-0.4 4,-1.7 1,-0.2 3,-0.5 0.957 113.2 35.2 -63.4 -52.6 5.7 15.1 -33.9 444 654 A K H 3X S+ 0 0 63 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.608 106.8 72.3 -77.6 -12.4 1.9 15.4 -33.4 445 655 A K H 3X S+ 0 0 79 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.830 108.8 32.6 -70.5 -34.0 2.4 19.1 -32.6 446 656 A E H X S+ 0 0 18 -4,-0.7 4,-1.7 2,-0.1 3,-1.0 0.885 113.0 42.7 -86.4 -46.6 -1.9 19.3 -35.8 449 659 A A H 3< S+ 0 0 26 -4,-0.9 4,-0.3 1,-0.3 -2,-0.2 0.784 112.9 54.4 -70.9 -28.1 -0.8 22.5 -37.6 450 660 A D T 3< S+ 0 0 79 -4,-3.3 -1,-0.3 2,-0.2 -3,-0.1 0.367 114.1 42.3 -85.6 3.1 -0.4 20.5 -40.9 451 661 A A T <> S+ 0 0 22 -3,-1.0 4,-1.0 -5,-0.2 -2,-0.2 0.490 107.2 57.8-116.8 -21.9 -4.0 19.3 -40.4 452 662 A R H X S+ 0 0 105 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.597 100.5 63.6 -74.6 -13.7 -5.1 22.8 -39.4 453 663 A R H > S+ 0 0 145 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.791 94.4 56.7 -78.9 -32.1 -3.7 23.6 -42.8 454 664 A D H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.926 110.5 44.0 -61.3 -46.4 -6.3 21.3 -44.4 455 665 A L H X S+ 0 0 35 -4,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.749 108.5 61.2 -69.6 -25.5 -9.0 23.4 -42.8 456 666 A K H X S+ 0 0 131 -4,-0.8 4,-1.0 2,-0.2 3,-0.3 0.953 111.8 35.1 -65.4 -51.1 -7.1 26.5 -43.8 457 667 A S H X S+ 0 0 77 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.762 116.1 56.5 -74.6 -26.3 -7.4 25.8 -47.5 458 668 A A H X S+ 0 0 6 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.657 98.5 63.8 -77.1 -17.0 -10.8 24.3 -47.0 459 669 A K H X S+ 0 0 121 -4,-0.8 4,-1.3 -3,-0.3 3,-0.2 0.926 100.7 48.7 -69.8 -45.5 -11.9 27.6 -45.4 460 670 A A H X S+ 0 0 57 -4,-1.0 4,-0.9 1,-0.2 5,-0.3 0.722 102.7 66.0 -68.3 -22.2 -11.3 29.5 -48.7 461 671 A D H X S+ 0 0 78 -4,-0.6 4,-1.7 1,-0.2 3,-0.5 0.962 106.0 38.8 -61.6 -52.9 -13.3 26.9 -50.5 462 672 A A H < S+ 0 0 27 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.744 99.9 77.1 -73.1 -25.4 -16.6 27.8 -48.8 463 673 A K H < S+ 0 0 173 -4,-1.3 -1,-0.2 1,-0.2 3,-0.2 0.899 117.4 13.0 -52.8 -47.0 -16.0 31.5 -48.8 464 674 A V H < S+ 0 0 101 -4,-0.9 2,-0.9 -3,-0.5 -1,-0.2 0.651 125.2 62.3-106.0 -23.4 -16.9 31.9 -52.5 465 675 A M < + 0 0 89 -4,-1.7 2,-1.1 -5,-0.3 -1,-0.2 -0.712 65.9 171.3 -99.9 78.9 -18.5 28.4 -53.0 466 676 A K + 0 0 164 -2,-0.9 -4,-0.1 -3,-0.2 -1,-0.1 -0.224 32.8 118.0 -87.3 46.6 -21.3 28.9 -50.5 467 677 A D S S- 0 0 83 -2,-1.1 -1,-0.1 1,-0.0 -5,-0.0 0.834 70.2-112.3 -77.7-104.5 -23.2 25.8 -51.4 468 678 A A S > S+ 0 0 54 -3,-0.1 4,-1.4 0, 0.0 5,-0.1 0.256 102.6 61.3-164.5 -53.3 -23.7 23.1 -48.7 469 679 A K H > S+ 0 0 172 1,-0.2 4,-0.7 2,-0.2 5,-0.0 0.725 106.9 56.6 -62.1 -21.1 -21.8 19.8 -49.3 470 680 A T H >> S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.880 102.7 51.7 -72.7 -42.2 -18.8 22.2 -49.1 471 681 A K H 3> S+ 0 0 114 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.738 104.2 59.0 -66.6 -23.0 -19.8 23.3 -45.7 472 682 A K H 3X S+ 0 0 107 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.820 106.9 46.7 -72.0 -31.8 -20.0 19.6 -44.8 473 683 A V H X S+ 0 0 31 -4,-2.0 4,-1.0 1,-0.2 3,-0.6 0.899 111.9 45.5 -63.7 -41.6 -15.4 22.4 -43.7 475 685 A E H 3X S+ 0 0 92 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.753 105.8 60.7 -74.1 -25.3 -17.1 20.9 -40.6 476 686 A S H 3< S+ 0 0 46 -4,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.636 107.7 44.6 -78.7 -15.3 -15.4 17.6 -41.2 477 687 A K H S+ 0 0 41 -4,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.848 107.8 45.4 -68.6 -35.5 -10.6 16.5 -37.3 481 691 A V H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.830 109.6 56.5 -72.7 -34.0 -8.6 19.3 -35.9 482 692 A Q H X S+ 0 0 119 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.834 101.5 55.2 -67.7 -34.7 -10.4 18.9 -32.6 483 693 A R H X S+ 0 0 163 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.813 112.7 43.5 -67.4 -30.2 -9.3 15.3 -32.3 484 694 A L H X S+ 0 0 22 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.757 110.3 55.0 -83.8 -28.4 -5.8 16.5 -32.7 485 695 A E H X S+ 0 0 81 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.878 115.1 41.7 -65.3 -40.1 -6.5 19.3 -30.3 486 696 A E H X S+ 0 0 79 -4,-2.6 4,-1.6 2,-0.2 3,-0.4 0.995 112.6 50.1 -66.9 -71.0 -7.6 16.6 -27.9 487 697 A Q H X S+ 0 0 82 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.823 111.8 51.9 -33.5 -50.3 -4.9 14.0 -28.6 488 698 A L H >X S+ 0 0 23 -4,-1.9 4,-3.1 1,-0.2 3,-1.1 0.951 104.7 52.0 -57.9 -56.2 -2.3 16.8 -28.0 489 699 A M H 3X S+ 0 0 71 -4,-1.6 4,-1.7 -3,-0.4 -1,-0.2 0.781 106.2 58.1 -54.0 -27.7 -3.6 18.0 -24.7 490 700 A K H 3X S+ 0 0 83 -4,-1.6 4,-1.6 -3,-0.4 -1,-0.3 0.854 113.9 35.6 -72.0 -35.9 -3.4 14.4 -23.5 491 701 A L H >> 0 0 28 0, 0.0 3,-2.1 0, 0.0 5,-1.4 0.000 360.0 360.0 360.0 -26.4 -1.3 9.0 0.9 506 720 A K T 345 + 0 0 97 1,-0.3 -84,-0.0 2,-0.2 0, 0.0 0.757 360.0 38.0 -50.1 -29.9 -3.4 8.2 -2.1 507 721 A L T 345S+ 0 0 83 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.470 135.5 8.4-101.2 -4.6 -4.0 4.7 -0.7 508 722 A N T <45S+ 0 0 87 -3,-2.1 -2,-0.2 3,-0.0 -118,-0.0 0.667 118.1 43.4-142.6 -52.6 -4.3 5.5 3.0 509 723 A F T <5S+ 0 0 27 -4,-0.8 2,-0.6 2,-0.1 -116,-0.2 0.538 90.2 88.9 -94.5 -7.2 -4.5 9.0 4.4 510 724 A L S > - 0 0 5 -2,-0.6 3,-0.8 -121,-0.3 4,-0.6 -0.537 17.0-150.9 -61.0 120.0 -10.7 10.5 2.5 512 726 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-1.3 0.863 89.9 71.2 -65.2 -37.2 -11.9 9.3 -0.9 513 727 A R H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.823 91.2 60.7 -48.7 -36.5 -15.2 11.1 -0.4 514 728 A I H <> S+ 0 0 10 -3,-0.8 4,-1.5 1,-0.2 -1,-0.3 0.913 108.9 42.3 -56.0 -44.1 -13.3 14.3 -1.0 515 729 A T H S+ 0 0 1 -4,-3.5 5,-4.2 1,-0.2 -2,-0.2 0.852 115.6 45.5 -52.9 -38.8 -15.0 14.3 -9.5 520 734 A K H ><5S+ 0 0 94 -4,-2.2 3,-1.4 -5,-0.3 -1,-0.2 0.940 111.8 48.2 -73.3 -48.7 -18.8 14.7 -9.4 521 735 A K H 3<5S+ 0 0 110 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 118.3 41.1 -64.2 -34.9 -19.0 18.5 -9.2 522 736 A W T 3<5S- 0 0 78 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.230 114.3-117.1 -96.9 14.0 -16.5 19.0 -12.1 523 737 A G T < 5 + 0 0 54 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.904 58.7 155.1 53.1 49.6 -18.1 16.1 -14.1 524 738 A V < - 0 0 6 -5,-4.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.939 45.6-122.4-110.2 116.9 -15.0 13.9 -14.1 525 739 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.327 14.8-136.3 -53.9 130.3 -15.6 10.2 -14.5 526 740 A I G >> S+ 0 0 38 1,-0.3 4,-2.9 2,-0.2 3,-1.3 0.742 97.0 77.4 -63.6 -24.5 -14.0 8.3 -11.5 527 741 A E G 34 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.2 8,-0.1 0.782 91.1 55.2 -55.0 -27.9 -12.6 5.8 -13.9 528 742 A K G <4 S+ 0 0 118 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.722 116.5 33.5 -81.9 -22.7 -9.9 8.3 -14.8 529 743 A I T <4 S+ 0 0 25 -3,-1.3 2,-0.4 -4,-0.4 -2,-0.2 0.778 119.9 45.3-101.2 -35.7 -8.7 8.8 -11.2 530 744 A Y < - 0 0 8 -4,-2.9 -1,-0.2 4,-0.0 2,-0.1 -0.919 67.2-147.0-118.2 135.7 -9.3 5.4 -9.7 531 745 A N > - 0 0 82 -2,-0.4 4,-2.5 -3,-0.1 3,-0.4 -0.294 44.0 -89.7 -83.2 179.5 -8.4 1.9 -11.0 532 746 A K H > S+ 0 0 146 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.855 129.1 56.4 -61.6 -36.7 -10.5 -1.2 -10.3 533 747 A T H > S+ 0 0 88 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.901 112.5 43.6 -56.1 -41.4 -8.5 -1.9 -7.1 534 748 A Q H > S+ 0 0 19 -3,-0.4 4,-2.8 2,-0.2 3,-0.4 0.946 116.1 41.0 -75.9 -51.7 -9.4 1.6 -5.9 535 749 A R H < S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.727 110.0 60.1 -73.6 -20.4 -13.1 1.9 -6.7 536 750 A E H < S+ 0 0 115 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.814 116.1 34.3 -72.6 -29.7 -13.7 -1.7 -5.6 537 751 A K H < S+ 0 0 32 -4,-0.8 3,-0.5 -3,-0.4 -2,-0.2 0.801 119.4 49.7 -90.2 -36.0 -12.4 -0.7 -2.2 538 752 A F S X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.157 74.5 122.5 -90.5 19.3 -13.8 2.8 -2.2 539 753 A A H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.887 72.4 50.1 -45.3 -49.9 -17.2 1.5 -3.3 540 754 A W H > S+ 0 0 3 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.907 113.3 44.3 -60.3 -43.8 -18.9 3.1 -0.3 541 755 A A H 4 S+ 0 0 0 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 110.0 54.7 -71.5 -37.8 -17.4 6.5 -0.9 542 756 A I H < S+ 0 0 46 -4,-3.0 3,-0.3 -7,-0.2 -1,-0.2 0.827 119.0 37.4 -61.2 -30.6 -18.0 6.4 -4.6 543 757 A D H < S+ 0 0 82 -4,-1.6 2,-1.7 -5,-0.3 -2,-0.2 0.967 115.0 44.6 -85.5 -66.4 -21.7 5.8 -3.7 544 758 A M S < S+ 0 0 76 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.2 -0.289 91.1 95.9 -86.0 54.9 -22.6 7.8 -0.6 545 759 A A - 0 0 6 -2,-1.7 -25,-0.1 -3,-0.3 4,-0.1 -0.867 54.8-157.5-146.9 110.1 -21.0 11.1 -1.6 546 760 A D > - 0 0 93 -2,-0.3 3,-0.9 1,-0.1 -25,-0.1 -0.299 39.4-100.5 -77.2 168.1 -22.8 14.1 -3.2 547 761 A E T 3 S+ 0 0 110 1,-0.3 -26,-0.2 -27,-0.1 -1,-0.1 0.638 119.6 59.3 -65.9 -12.5 -21.0 16.7 -5.2 548 762 A D T 3 S+ 0 0 119 -28,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.240 72.4 135.7-113.0 43.4 -21.2 19.0 -2.2 549 763 A Y < 0 0 32 -3,-0.9 -32,-0.1 -36,-0.2 -4,-0.0 -0.787 360.0 360.0 -92.1 131.1 -19.4 16.9 0.4 550 764 A E 0 0 136 -2,-0.5 -2,-0.0 -33,-0.0 -36,-0.0 -0.987 360.0 360.0-126.0 360.0 -16.8 18.6 2.7