==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-DEC-10 3PZ0 . COMPND 2 MOLECULE: LEUCYL-TRNA SYNTHETASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR R.J.LIU,E.D.WANG . 844 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 52 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 0 4 0 0 1 7 5 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 6 7 3 4 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 4 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 1 228 A E 0 0 192 0, 0.0 2,-0.3 0, 0.0 209,-0.1 0.000 360.0 360.0 360.0 152.2 13.5 12.2 24.1 2 229 A G - 0 0 14 207,-0.1 209,-2.5 41,-0.1 2,-0.4 -0.895 360.0 -57.2 167.5-141.0 10.7 10.0 23.0 3 230 A A E -AB 41 210A 2 38,-2.9 38,-2.3 -2,-0.3 2,-0.6 -0.994 20.6-143.7-140.6 136.7 6.9 10.3 23.1 4 231 A L E -AB 40 209A 32 205,-2.4 205,-1.6 -2,-0.4 2,-0.4 -0.878 29.8-164.2 -87.5 127.2 4.1 10.8 25.6 5 232 A I E -AB 39 208A 1 34,-2.9 34,-2.0 -2,-0.6 2,-1.0 -0.972 14.5-139.3-120.0 133.8 1.2 8.7 24.4 6 233 A R E +A 38 0A 74 201,-2.8 32,-0.2 -2,-0.4 2,-0.2 -0.748 24.7 176.3 -93.7 93.8 -2.4 9.1 25.7 7 234 A F E -A 37 0A 0 30,-1.9 30,-2.8 -2,-1.0 2,-0.3 -0.538 15.9-157.0 -84.8 163.6 -4.0 5.6 26.1 8 235 A Y E -AC 36 111A 22 103,-1.5 103,-3.4 28,-0.3 2,-0.7 -0.986 22.2-134.2-153.4 138.0 -7.6 5.7 27.6 9 236 A V E -AC 35 110A 5 26,-3.2 26,-1.6 -2,-0.3 2,-0.5 -0.819 28.7-144.3 -88.0 115.0 -10.1 3.6 29.4 10 237 A E E -A 34 0A 88 -2,-0.7 2,-0.5 99,-0.6 24,-0.2 -0.718 13.4-166.0 -81.0 125.1 -13.4 3.9 27.7 11 238 A I - 0 0 11 22,-2.3 6,-0.0 -2,-0.5 -2,-0.0 -0.968 8.3-161.3-116.1 116.3 -16.3 3.9 30.2 12 239 A E S S+ 0 0 67 -2,-0.5 -1,-0.1 1,-0.3 22,-0.0 0.899 87.5 24.7 -63.3 -47.3 -19.7 3.4 28.7 13 240 A E > + 0 0 99 1,-0.1 3,-1.4 20,-0.0 -1,-0.3 -0.640 69.5 179.7-121.9 74.6 -21.9 4.7 31.6 14 241 A P G > + 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.692 69.6 73.4 -49.0 -27.6 -19.6 7.1 33.6 15 242 A E G > S+ 0 0 123 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.854 91.7 51.7 -59.5 -42.3 -22.3 7.9 36.1 16 243 A K G < S+ 0 0 120 -3,-1.4 -1,-0.3 1,-0.2 3,-0.0 0.385 110.2 49.1 -81.9 3.4 -22.3 4.6 38.1 17 244 A F G X S+ 0 0 12 -3,-1.3 3,-1.6 -4,-0.2 -1,-0.2 0.302 77.7 102.2-118.9 3.4 -18.5 4.6 38.6 18 245 A L G X + 0 0 44 -3,-1.1 3,-1.5 -4,-0.3 -2,-0.1 0.746 66.1 73.8 -60.9 -26.3 -18.2 8.2 39.9 19 246 A N G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.462 102.9 39.5 -76.4 1.6 -17.9 7.0 43.5 20 247 A a G < S+ 0 0 25 -3,-1.6 -1,-0.3 2,-0.1 48,-0.2 0.022 95.2 92.4-133.9 36.7 -14.3 5.9 42.9 21 248 A V S < S- 0 0 10 -3,-1.5 2,-0.1 46,-0.1 5,-0.1 -0.981 77.7-117.2-118.5 135.2 -13.0 8.7 40.7 22 249 A P >> - 0 0 51 0, 0.0 3,-2.5 0, 0.0 4,-0.7 -0.454 29.8-108.5 -70.8 147.6 -11.2 11.6 42.3 23 250 A E H >> S+ 0 0 140 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.785 114.9 59.1 -43.5 -44.2 -12.8 15.1 41.9 24 251 A E H 34 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.376 109.7 43.6 -75.8 3.0 -10.2 16.4 39.4 25 252 A L H <> S+ 0 0 60 -3,-2.5 4,-1.7 2,-0.1 -1,-0.3 0.406 90.3 87.3-119.2 -7.4 -10.9 13.6 36.9 26 253 A K H S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 6,-0.8 0.834 114.0 57.2 -54.3 -34.6 -13.2 14.6 31.7 29 256 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.960 108.7 39.2 -64.0 -56.0 -14.9 11.3 32.8 30 257 A L H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.397 124.6 38.7 -84.1 7.0 -18.6 12.3 32.4 31 258 A K H < S+ 0 0 163 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.660 130.2 24.3-118.9 -35.6 -18.0 14.3 29.1 32 259 A E H < S- 0 0 83 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.526 95.2-133.3-101.4 -12.0 -15.4 12.3 27.2 33 260 A K < + 0 0 106 -4,-1.3 -22,-2.3 -5,-0.5 2,-0.3 0.891 66.9 119.7 56.9 43.9 -16.3 9.1 28.9 34 261 A R E -A 10 0A 59 -6,-0.8 2,-0.5 -24,-0.2 -1,-0.2 -0.976 56.1-160.6-139.3 144.5 -12.6 8.5 29.4 35 262 A I E -A 9 0A 3 -26,-1.6 -26,-3.2 -2,-0.3 2,-0.2 -0.996 33.6-141.8-117.6 122.1 -9.9 8.0 32.0 36 263 A Y E -A 8 0A 38 -2,-0.5 2,-0.5 -28,-0.2 -28,-0.3 -0.601 12.9-160.6 -88.4 145.6 -6.6 8.8 30.4 37 264 A I E -A 7 0A 0 -30,-2.8 -30,-1.9 -2,-0.2 2,-0.3 -0.903 13.4-151.7-124.1 96.1 -3.4 6.9 31.1 38 265 A D E -A 6 0A 58 -2,-0.5 2,-0.3 -32,-0.2 -32,-0.2 -0.551 19.0-171.3 -69.5 132.6 -0.4 9.0 30.0 39 266 A V E -A 5 0A 0 -34,-2.0 -34,-2.9 -2,-0.3 2,-0.5 -0.954 14.5-144.2-129.7 141.4 2.4 6.7 29.0 40 267 A F E +A 4 0A 43 95,-1.6 2,-0.3 -2,-0.3 -36,-0.2 -0.938 25.4 166.5-112.3 132.5 6.1 7.4 28.2 41 268 A T E -A 3 0A 20 -38,-2.3 -38,-2.9 -2,-0.5 -2,-0.0 -0.959 38.9-160.0-141.2 157.2 8.0 5.5 25.6 42 269 A T S S+ 0 0 66 -2,-0.3 3,-0.1 -40,-0.2 -1,-0.1 0.322 96.9 61.3-109.1 -2.9 11.3 5.7 23.6 43 270 A R > + 0 0 36 -40,-0.1 3,-2.2 1,-0.1 -1,-0.1 -0.459 53.0 150.4-121.8 57.8 9.7 3.3 21.1 44 271 A P G > S+ 0 0 4 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.720 70.5 70.3 -65.9 -16.0 6.6 5.1 19.7 45 272 A D G 3 S+ 0 0 0 1,-0.2 3,-0.2 -3,-0.1 150,-0.1 0.524 94.4 55.6 -71.8 -8.0 7.2 3.1 16.5 46 273 A T G X S+ 0 0 4 -3,-2.2 3,-2.1 1,-0.1 -1,-0.2 0.376 73.3 109.0-103.2 4.3 6.1 0.0 18.4 47 274 A V G X + 0 0 0 -3,-1.2 3,-1.4 1,-0.3 67,-0.2 0.750 69.6 61.1 -56.9 -33.3 2.7 1.4 19.5 48 275 A F G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.676 101.1 56.5 -68.7 -18.4 0.6 -0.8 17.2 49 276 A G G < S+ 0 0 0 -3,-2.1 2,-0.4 134,-0.0 109,-0.3 0.159 72.7 126.9-102.3 15.2 2.0 -3.9 19.0 50 277 A A < + 0 0 0 -3,-1.4 89,-0.2 89,-0.2 3,-0.1 -0.634 24.6 168.6 -70.9 124.6 0.9 -2.9 22.5 51 278 A T + 0 0 8 87,-1.9 2,-0.3 -2,-0.4 -1,-0.2 0.416 65.8 14.2-116.5 -6.8 -1.1 -5.8 24.0 52 279 A F E -D 138 0A 0 86,-1.0 86,-2.9 67,-0.2 2,-0.4 -0.979 62.5-135.1-159.4 166.9 -1.1 -4.5 27.5 53 280 A V E -De 137 121A 0 67,-2.0 69,-3.3 -2,-0.3 2,-0.4 -0.968 16.4-157.3-122.9 138.5 -0.5 -1.4 29.7 54 281 A V E -De 136 122A 0 82,-2.4 82,-2.6 -2,-0.4 2,-0.4 -0.980 3.1-165.2-120.8 130.8 1.4 -1.4 33.0 55 282 A L E -De 135 123A 0 67,-2.2 69,-1.1 -2,-0.4 80,-0.2 -0.902 32.1-106.9-103.9 141.3 1.1 1.2 35.8 56 283 A A > - 0 0 0 78,-3.3 3,-2.0 -2,-0.4 6,-0.2 -0.337 33.1-113.3 -56.7 144.6 3.6 1.4 38.6 57 284 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.811 117.1 50.7 -50.4 -34.7 2.2 0.1 42.0 58 285 A E T 3 S+ 0 0 54 29,-0.1 -2,-0.1 4,-0.1 70,-0.0 0.331 80.1 123.2 -90.8 4.5 2.3 3.7 43.4 59 286 A H X - 0 0 20 -3,-2.0 3,-2.0 75,-0.2 75,-0.1 -0.522 65.4-134.2 -67.5 131.8 0.4 5.3 40.5 60 287 A P T 3> S+ 0 0 76 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.744 103.0 64.3 -60.4 -26.6 -2.7 7.1 41.8 61 288 A L H 3> S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.536 83.9 79.6 -74.2 -6.6 -4.8 5.5 39.0 62 289 A V H <> S+ 0 0 1 -3,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.968 98.1 36.5 -69.1 -53.1 -4.2 2.0 40.4 63 290 A P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.895 118.2 54.1 -65.4 -35.8 -6.8 2.1 43.2 64 291 A V H X S+ 0 0 13 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.946 114.5 38.1 -58.4 -53.3 -9.2 4.1 40.9 65 292 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.864 114.0 55.3 -70.6 -36.5 -9.0 1.6 38.0 66 293 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.857 105.2 53.4 -65.1 -35.9 -9.0 -1.4 40.3 67 294 A a H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.967 112.5 44.4 -59.7 -52.4 -12.2 -0.1 42.0 68 295 A I H X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.910 110.8 54.3 -55.9 -46.6 -13.8 0.1 38.5 69 296 A G H <>S+ 0 0 0 -4,-3.1 5,-2.3 37,-0.4 6,-0.9 0.877 107.8 50.8 -56.3 -40.6 -12.4 -3.4 37.6 70 297 A E H ><5S+ 0 0 41 -4,-2.3 3,-2.1 4,-0.2 -2,-0.2 0.944 106.0 54.6 -59.9 -51.7 -14.0 -4.8 40.8 71 298 A R H 3<5S+ 0 0 110 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.5 49.5 -49.7 -39.9 -17.4 -3.2 39.8 72 299 A L T 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.444 114.4-119.1 -83.1 -1.9 -17.2 -5.0 36.4 73 300 A G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.712 85.6 109.4 72.2 23.1 -16.4 -8.3 38.1 74 301 A N < + 0 0 75 -5,-2.3 2,-0.3 -6,-0.2 33,-0.3 0.550 68.7 46.6-106.0 -14.0 -13.0 -8.6 36.3 75 302 A A S S- 0 0 13 -6,-0.9 2,-0.7 31,-0.2 -2,-0.1 -0.915 70.3-125.2-132.4 158.6 -10.6 -8.0 39.2 76 303 A b > - 0 0 20 29,-0.4 4,-1.4 -2,-0.3 637,-0.1 -0.900 21.7-161.4 -98.4 109.9 -9.9 -9.0 42.8 77 304 A Y H > S+ 0 0 76 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.876 86.8 49.9 -63.2 -39.9 -9.7 -5.9 44.8 78 305 A S H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.889 105.5 57.1 -68.2 -40.3 -7.8 -7.3 47.8 79 306 A D H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.832 109.7 46.7 -55.3 -37.4 -5.1 -8.9 45.6 80 307 A V H X S+ 0 0 6 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.941 112.1 48.7 -71.2 -48.4 -4.4 -5.4 44.2 81 308 A E H X S+ 0 0 38 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 112.6 49.5 -55.0 -45.1 -4.3 -3.8 47.6 82 309 A N H X S+ 0 0 79 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.886 111.6 49.1 -58.7 -43.3 -1.9 -6.6 48.8 83 310 A F H X S+ 0 0 5 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.923 111.8 47.6 -64.2 -48.7 0.3 -6.1 45.8 84 311 A V H X S+ 0 0 16 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.905 113.1 47.1 -63.2 -43.5 0.5 -2.3 46.2 85 312 A E H X S+ 0 0 114 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.901 115.0 46.6 -66.7 -39.4 1.3 -2.4 50.0 86 313 A K H >X S+ 0 0 95 -4,-2.0 3,-0.8 -5,-0.2 4,-0.6 0.891 112.9 49.4 -63.7 -42.1 4.0 -5.1 49.4 87 314 A M H >< S+ 0 0 9 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.817 103.3 60.8 -74.8 -29.4 5.5 -3.2 46.5 88 315 A K H 3< S+ 0 0 114 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.667 97.0 60.9 -67.3 -20.6 5.6 -0.0 48.5 89 316 A K H << S+ 0 0 177 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.785 91.2 87.2 -76.1 -26.7 7.9 -1.7 51.1 90 317 A M S << S- 0 0 72 -3,-0.6 2,-0.2 -4,-0.6 -3,-0.0 -0.362 73.2-131.5 -77.3 150.5 10.6 -2.3 48.4 91 318 A S > - 0 0 51 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.499 31.9-101.2 -89.5 167.5 13.3 0.1 47.4 92 319 A T H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.921 124.1 52.1 -51.0 -49.5 14.2 1.0 43.9 93 320 A R H > S+ 0 0 175 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 108.0 50.8 -54.0 -50.1 17.2 -1.4 44.0 94 321 A E H > S+ 0 0 95 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.829 111.5 46.9 -62.3 -35.7 15.0 -4.3 45.2 95 322 A R H < S+ 0 0 9 -4,-1.9 3,-0.3 2,-0.2 -1,-0.2 0.862 112.8 47.5 -77.0 -37.2 12.4 -3.9 42.4 96 323 A T H < S+ 0 0 89 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.876 111.1 52.5 -66.2 -39.0 14.9 -3.5 39.5 97 324 A M H < S+ 0 0 125 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.619 78.2 121.5 -78.4 -15.1 16.9 -6.6 40.7 98 325 A E < - 0 0 81 -4,-0.6 -3,-0.0 -3,-0.3 -4,-0.0 -0.308 48.3-161.0 -55.5 121.0 13.9 -8.9 40.8 99 326 A E S S+ 0 0 157 -2,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.800 73.9 62.9 -72.0 -32.8 14.5 -11.9 38.5 100 327 A D S S- 0 0 98 52,-0.0 2,-0.5 -3,-0.0 49,-0.1 -0.777 80.7-130.5-102.6 140.5 10.8 -12.8 38.5 101 328 A K - 0 0 22 -2,-0.4 2,-0.4 47,-0.1 -2,-0.0 -0.763 25.4-173.7 -85.9 125.9 8.0 -10.6 37.2 102 329 A E + 0 0 64 -2,-0.5 23,-2.1 2,-0.0 2,-0.3 -0.975 14.2 154.0-118.8 139.2 5.0 -10.2 39.5 103 330 A G E - F 0 124A 9 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.957 30.4-139.6-153.1 170.7 1.8 -8.4 38.6 104 331 A V E - F 0 123A 21 19,-2.3 19,-2.3 -2,-0.3 2,-0.3 -0.995 22.9-123.9-136.3 142.8 -1.9 -7.9 39.1 105 332 A F E - F 0 122A 48 -2,-0.3 -29,-0.4 17,-0.2 17,-0.2 -0.676 12.4-156.6 -83.0 137.2 -4.8 -7.4 36.6 106 333 A L E - 0 0 0 15,-2.2 -37,-0.4 -2,-0.3 -31,-0.2 0.577 35.7-119.3 -93.6 -11.0 -6.8 -4.3 37.3 107 334 A G E S+ 0 0 0 14,-0.4 2,-0.3 1,-0.3 -33,-0.2 0.554 77.7 101.2 88.5 8.2 -10.0 -5.5 35.5 108 335 A V E - 0 0 4 13,-0.5 13,-1.9 -34,-0.1 2,-0.5 -0.855 60.9-137.1-124.7 161.6 -10.1 -2.8 32.9 109 336 A Y E - F 0 120A 97 -2,-0.3 -99,-0.6 11,-0.2 2,-0.2 -0.979 13.5-149.2-123.8 122.5 -9.1 -2.4 29.3 110 337 A A E -CF 9 119A 0 9,-2.5 9,-2.9 -2,-0.5 2,-0.5 -0.556 20.0-121.6 -81.2 151.5 -7.4 0.6 27.9 111 338 A T E -CF 8 118A 1 -103,-3.4 -103,-1.5 7,-0.2 7,-0.2 -0.871 17.5-133.7 -96.6 126.7 -8.0 1.7 24.3 112 339 A N >> - 0 0 0 5,-2.7 4,-2.9 -2,-0.5 3,-0.9 -0.726 11.2-152.2 -76.5 114.4 -4.9 1.8 22.1 113 340 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.599 89.8 62.1 -68.8 -10.5 -5.1 5.2 20.3 114 341 A A T 34 S+ 0 0 8 -67,-0.2 -66,-0.1 3,-0.1 -107,-0.0 0.812 128.2 1.4 -82.1 -32.8 -3.2 3.8 17.3 115 342 A N T <4 S- 0 0 57 -3,-0.9 -1,-0.1 2,-0.1 -67,-0.0 0.418 91.9-114.2-137.2 -3.4 -5.7 1.1 16.3 116 343 A G < + 0 0 48 -4,-2.9 2,-0.1 1,-0.2 0, 0.0 0.486 62.7 150.3 78.4 3.5 -8.7 1.3 18.7 117 344 A E - 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0 0 0 78,-2.7 3,-1.8 -2,-0.4 6,-0.2 -0.423 35.0-111.1 -62.2 148.6 -5.6 -36.5 2.2 269 284 B P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.810 118.4 48.6 -54.7 -32.9 -4.2 -39.9 3.2 270 285 B E T 3 S+ 0 0 44 29,-0.1 70,-0.0 4,-0.1 -2,-0.0 0.397 80.2 123.7 -92.5 2.7 -4.2 -41.1 -0.4 271 286 B H X - 0 0 21 -3,-1.8 3,-1.6 75,-0.2 75,-0.1 -0.449 66.7-130.7 -59.7 131.2 -2.4 -38.0 -1.8 272 287 B P T 3> S+ 0 0 75 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.769 103.8 63.4 -54.8 -32.6 0.8 -39.0 -3.7 273 288 B L H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.601 83.1 82.1 -71.7 -11.0 2.9 -36.4 -1.8 274 289 B V H <> S+ 0 0 0 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.967 97.1 35.8 -61.9 -58.1 2.2 -38.1 1.6 275 290 B P H > S+ 0 0 62 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.821 117.7 56.4 -65.5 -28.0 5.0 -40.9 1.4 276 291 B V H X S+ 0 0 14 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.971 113.9 35.6 -64.0 -56.1 7.3 -38.4 -0.4 277 292 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.707 114.8 58.2 -73.3 -22.7 7.2 -35.7 2.3 278 293 B A H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.804 106.1 49.2 -74.0 -31.6 7.1 -38.4 5.0 279 294 B c H X S+ 0 0 12 -4,-1.5 4,-2.3 2,-0.2 3,-0.2 0.935 112.7 47.1 -68.9 -46.2 10.3 -39.8 3.7 280 295 B I H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.896 110.4 52.7 -60.8 -42.7 11.8 -36.3 3.7 281 296 B G H <>S+ 0 0 0 -4,-2.2 5,-1.5 37,-0.4 6,-1.3 0.793 108.2 51.9 -63.0 -30.9 10.5 -35.8 7.2 282 297 B E H ><5S+ 0 0 42 -4,-1.3 3,-2.2 -3,-0.2 -2,-0.2 0.956 105.9 53.0 -67.5 -53.0 12.2 -39.0 8.3 283 298 B R H 3<5S+ 0 0 114 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.823 111.0 48.1 -48.6 -38.3 15.6 -37.9 6.8 284 299 B L T 3<5S- 0 0 92 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.455 113.4-120.6 -86.4 -5.0 15.3 -34.7 8.9 285 300 B G T < 5S+ 0 0 65 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.459 85.9 105.3 81.6 3.7 14.4 -36.6 12.1 286 301 B N S - 0 0 25 -2,-0.4 4,-1.9 29,-0.3 5,-0.2 -0.858 21.4-166.2 -97.2 102.7 7.8 -41.4 12.3 289 304 B Y H > S+ 0 0 54 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.845 84.0 51.0 -61.1 -43.6 7.5 -43.1 8.9 290 305 B S H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 107.5 54.4 -63.0 -42.9 5.9 -46.3 10.1 291 306 B D H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 111.6 45.3 -50.0 -51.6 3.2 -44.3 12.0 292 307 B V H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 111.5 52.1 -61.6 -46.7 2.4 -42.4 8.8 293 308 B E H X S+ 0 0 91 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.898 109.8 49.8 -53.4 -45.0 2.4 -45.6 6.7 294 309 B N H X S+ 0 0 73 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.879 109.0 51.1 -66.0 -41.9 -0.1 -47.2 9.2 295 310 B F H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.942 111.1 48.6 -58.4 -51.9 -2.4 -44.2 9.1 296 311 B V H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 112.9 46.3 -55.1 -52.0 -2.5 -44.3 5.3 297 312 B E H X S+ 0 0 97 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.893 114.4 49.1 -62.3 -39.0 -3.2 -48.1 5.1 298 313 B K H >< S+ 0 0 100 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.904 112.3 47.5 -62.1 -45.8 -5.9 -47.7 7.8 299 314 B M H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.825 103.3 62.0 -68.6 -34.6 -7.5 -44.8 5.9 300 315 B K H 3< S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.696 97.2 58.9 -62.9 -23.7 -7.5 -46.6 2.6 301 316 B K T << S+ 0 0 174 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.3 0.462 94.3 87.9 -84.4 -2.8 -9.8 -49.3 4.0 302 317 B M S < S- 0 0 52 -3,-1.4 2,-0.2 -4,-0.1 -3,-0.0 -0.707 73.1-130.1-101.4 147.1 -12.4 -46.7 4.8 303 318 B S > - 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