==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-NOV-10 2XZ9 . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE-PROTEIN KINASE (PTS SYSTEM EI . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER TENGCONGENSIS; . AUTHOR A.E.OBERHOLZER,S.M.WALTERSPERGER,P.SCHNEIDER,U.BAUMANN,B.ERN . 633 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 2 2 4 0 3 1 2 0 3 0 5 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 8 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 2 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 1 256 A L > 0 0 151 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 14.3 9.1 16.3 2 257 A K T 3 + 0 0 93 1,-0.2 30,-0.0 29,-0.1 277,-0.0 0.578 360.0 64.3 -64.9 -9.3 15.2 6.5 13.7 3 258 A D T 3 S+ 0 0 104 2,-0.1 -1,-0.2 0, 0.0 29,-0.0 0.619 75.6 99.2 -95.9 -14.5 11.4 6.6 13.1 4 259 A L S < S- 0 0 75 -3,-1.2 2,-0.1 1,-0.1 275,-0.0 -0.466 80.4-111.8 -65.5 144.5 11.1 10.2 11.9 5 260 A P - 0 0 33 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.382 21.1-107.7 -77.9 157.8 11.0 10.4 8.1 6 261 A A E +A 14 0A 0 8,-0.5 8,-2.4 -2,-0.1 2,-0.4 -0.699 69.9 145.9 -79.0 88.6 13.7 11.8 5.8 7 262 A E E -A 13 0A 76 -2,-1.5 6,-0.3 6,-0.2 8,-0.0 -0.997 47.6-124.5-141.5 125.8 11.5 14.8 5.1 8 263 A T > - 0 0 5 4,-2.6 3,-2.2 -2,-0.4 275,-0.2 -0.219 32.2-107.1 -67.4 159.6 12.5 18.4 4.4 9 264 A P T 3 S+ 0 0 86 0, 0.0 277,-0.1 0, 0.0 -1,-0.1 0.741 121.8 54.8 -61.8 -20.6 11.2 21.2 6.5 10 265 A D T 3 S- 0 0 58 275,-0.2 -2,-0.1 2,-0.1 276,-0.1 0.150 127.1 -94.8 -99.7 19.1 9.1 22.2 3.5 11 266 A G S < S+ 0 0 56 -3,-2.2 2,-0.6 1,-0.2 275,-0.1 0.786 74.0 139.1 85.3 30.5 7.5 18.8 3.1 12 267 A K - 0 0 55 270,-0.1 -4,-2.6 -4,-0.1 2,-0.4 -0.944 32.3-163.3-104.9 122.1 9.5 16.7 0.6 13 268 A K E -A 7 0A 120 -2,-0.6 2,-0.3 -6,-0.3 -6,-0.2 -0.831 9.2-177.8-104.7 140.9 10.0 13.1 1.7 14 269 A V E -A 6 0A 5 -8,-2.4 -8,-0.5 -2,-0.4 2,-0.5 -0.902 28.5-111.6-126.2 163.0 12.5 10.6 0.3 15 270 A M E -b 267 0B 43 251,-2.6 253,-2.9 -2,-0.3 2,-0.5 -0.820 21.4-159.6 -95.9 129.9 13.1 7.0 1.1 16 271 A L E +b 268 0B 0 -2,-0.5 19,-2.8 251,-0.2 20,-0.2 -0.947 21.6 170.7-108.8 127.3 16.2 5.8 2.9 17 272 A A E -b 269 0B 0 251,-3.2 253,-2.0 -2,-0.5 2,-0.3 -0.767 26.9-109.3-131.2 170.7 17.0 2.1 2.5 18 273 A A E -bc 270 37B 0 18,-2.4 21,-1.3 251,-0.3 20,-1.1 -0.810 10.6-141.3-107.5 145.7 19.9 -0.3 3.2 19 274 A N E - c 0 39B 18 251,-2.0 253,-0.4 -2,-0.3 2,-0.3 -0.892 31.5-176.2 -93.5 129.9 22.4 -2.1 1.1 20 275 A I E - c 0 40B 2 19,-2.9 21,-2.7 -2,-0.5 251,-0.0 -0.924 29.7-169.4-128.2 157.5 22.9 -5.6 2.4 21 276 A G S S+ 0 0 18 1,-0.4 23,-0.4 -2,-0.3 -1,-0.1 0.513 77.9 11.8-117.8 -13.6 25.2 -8.6 1.5 22 277 A T S > S- 0 0 44 22,-0.1 3,-2.1 21,-0.1 -1,-0.4 -0.970 81.8-100.3-155.7 161.6 23.7 -11.4 3.7 23 278 A P G > S+ 0 0 14 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.758 114.7 71.8 -56.2 -24.8 20.5 -11.9 5.8 24 279 A K G 3 S+ 0 0 182 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.658 85.8 66.7 -66.5 -15.8 22.6 -11.1 8.9 25 280 A D G <> S+ 0 0 64 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.565 78.4 84.8 -80.2 -10.5 22.7 -7.5 7.9 26 281 A V H <> S+ 0 0 0 -3,-1.5 4,-2.5 -4,-0.2 5,-0.3 0.911 81.8 55.8 -62.9 -45.3 19.0 -7.0 8.4 27 282 A A H > S+ 0 0 59 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.923 110.4 45.6 -55.3 -47.2 19.0 -6.3 12.2 28 283 A S H > S+ 0 0 57 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.868 109.7 55.7 -65.8 -36.4 21.5 -3.4 11.7 29 284 A A H <>S+ 0 0 0 -4,-1.7 5,-2.5 1,-0.2 3,-0.4 0.953 112.4 41.4 -59.6 -49.6 19.5 -2.0 8.8 30 285 A L H ><5S+ 0 0 42 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.882 109.1 58.9 -66.9 -38.3 16.3 -1.8 10.9 31 286 A A H 3<5S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.5 48.7 -60.1 -28.7 18.1 -0.5 13.9 32 287 A N T 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.305 125.1-102.4 -96.4 8.1 19.2 2.4 11.8 33 288 A G T < 5 + 0 0 7 -3,-1.9 -3,-0.2 1,-0.2 -17,-0.2 0.706 52.9 177.4 83.5 21.9 15.7 3.1 10.4 34 289 A A < - 0 0 4 -5,-2.5 -17,-0.2 -6,-0.2 -1,-0.2 -0.351 20.6-157.5 -57.7 137.5 16.0 1.6 7.0 35 290 A E S S- 0 0 47 -19,-2.8 2,-0.3 1,-0.2 -18,-0.2 0.339 70.6 -27.6 -98.1 2.7 12.7 1.8 5.1 36 291 A G S S- 0 0 0 -20,-0.2 -18,-2.4 36,-0.2 2,-0.6 -0.954 72.9 -83.8 170.3 179.6 13.6 -1.1 2.9 37 292 A V E -cd 18 74B 1 36,-2.8 38,-3.0 -2,-0.3 3,-0.2 -0.964 33.7-176.7-111.7 109.6 16.5 -2.9 1.3 38 293 A G E S+ 0 0 2 -20,-1.1 2,-0.3 -2,-0.6 -19,-0.2 0.624 76.8 23.5 -81.3 -14.4 17.4 -1.0 -1.9 39 294 A L E -c 19 0B 5 -21,-1.3 -19,-2.9 231,-0.1 2,-0.7 -0.812 58.1-177.3-154.0 111.1 20.1 -3.5 -2.8 40 295 A F E -cd 20 76B 0 35,-2.1 37,-2.1 -2,-0.3 2,-0.3 -0.933 23.7-150.7-105.0 102.2 20.3 -7.2 -1.6 41 296 A R - 0 0 82 -21,-2.7 3,-0.2 -2,-0.7 37,-0.1 -0.580 9.3-166.1 -72.2 137.1 23.6 -8.4 -3.2 42 297 A T > + 0 0 0 35,-0.4 3,-1.4 -2,-0.3 4,-0.4 0.352 59.5 102.2-111.5 7.1 23.3 -12.1 -3.9 43 298 A E G >> + 0 0 19 1,-0.3 3,-2.0 2,-0.2 4,-1.6 0.807 67.6 74.9 -60.0 -29.2 27.0 -13.0 -4.5 44 299 A F G 34 S+ 0 0 56 -23,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.801 91.3 56.7 -55.1 -31.0 27.2 -14.5 -1.0 45 300 A L G <4 S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.714 113.8 37.9 -71.4 -21.0 25.3 -17.5 -2.2 46 301 A Y T <4 S+ 0 0 2 -3,-2.0 3,-0.3 -4,-0.4 -2,-0.2 0.605 102.1 84.7-106.4 -17.9 27.8 -18.2 -5.0 47 302 A M S < S+ 0 0 70 -4,-1.6 3,-0.1 1,-0.2 40,-0.0 -0.435 83.5 20.6 -90.4 160.1 31.1 -17.4 -3.3 48 303 A D S S+ 0 0 164 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.906 103.8 90.2 57.0 49.9 33.4 -19.5 -1.1 49 304 A R S S- 0 0 64 -3,-0.3 40,-0.3 4,-0.0 -1,-0.2 -0.957 72.3-127.4-162.6 176.2 32.0 -22.8 -2.2 50 305 A N S S+ 0 0 122 -2,-0.3 2,-0.3 38,-0.1 -3,-0.0 0.151 84.4 44.8-123.5 16.5 32.4 -25.6 -4.7 51 306 A S S S- 0 0 63 -5,-0.1 39,-0.1 3,-0.0 3,-0.0 -0.977 89.6 -88.5-152.5 160.5 28.9 -26.0 -6.2 52 307 A L - 0 0 68 -2,-0.3 2,-0.2 1,-0.1 -6,-0.1 -0.494 53.0-103.6 -68.9 142.7 26.1 -23.9 -7.5 53 308 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.518 39.8-120.3 -68.7 131.7 23.7 -22.8 -4.8 54 309 A S > - 0 0 59 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.211 18.6-112.1 -66.4 161.6 20.4 -24.8 -4.9 55 310 A E H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.917 119.2 51.3 -58.1 -43.9 17.1 -23.2 -5.4 56 311 A E H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 108.5 50.4 -63.6 -42.2 16.1 -24.2 -1.9 57 312 A E H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 114.4 44.0 -61.4 -45.9 19.2 -22.6 -0.4 58 313 A Q H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.941 112.2 53.7 -62.8 -47.4 18.7 -19.4 -2.2 59 314 A F H X S+ 0 0 8 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.916 106.0 51.9 -53.9 -48.5 15.0 -19.4 -1.4 60 315 A E H X S+ 0 0 82 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.891 112.0 46.8 -59.6 -39.0 15.6 -19.8 2.3 61 316 A A H X S+ 0 0 11 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.920 115.1 44.8 -68.8 -44.5 18.0 -16.8 2.3 62 317 A Y H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.936 113.3 50.8 -65.2 -46.0 15.7 -14.6 0.3 63 318 A K H X S+ 0 0 28 -4,-3.2 4,-3.1 -5,-0.2 5,-0.3 0.905 105.9 56.0 -58.1 -42.7 12.6 -15.5 2.4 64 319 A E H X S+ 0 0 83 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.938 112.1 41.4 -57.4 -47.6 14.4 -14.8 5.6 65 320 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.934 114.5 51.6 -65.9 -44.9 15.2 -11.2 4.6 66 321 A V H <>S+ 0 0 1 -4,-2.6 5,-0.7 1,-0.2 64,-0.3 0.910 114.1 43.8 -60.2 -44.5 11.8 -10.7 3.1 67 322 A E H ><5S+ 0 0 93 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 0.924 112.5 50.9 -65.2 -46.9 10.1 -11.8 6.2 68 323 A K H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.747 101.7 62.5 -67.9 -22.4 12.3 -9.9 8.6 69 324 A M T ><5S- 0 0 0 -4,-1.7 3,-2.0 -5,-0.2 -1,-0.3 0.460 98.4-142.5 -82.7 -0.8 11.8 -6.7 6.7 70 325 A G T < 5 - 0 0 59 -3,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.820 68.2 -34.5 44.7 54.8 8.1 -6.9 7.5 71 326 A G T 3 -J 103 0C 3 -2,-0.3 3,-2.1 21,-0.3 21,-0.2 -0.775 46.7 -81.7-134.3-179.2 32.4 -12.5 -13.0 83 338 A G G > S+ 0 0 14 19,-0.6 3,-1.0 1,-0.3 9,-0.1 0.477 113.1 78.5 -68.1 -3.2 35.5 -14.7 -13.5 84 339 A D G 3 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.1 10,-0.0 0.600 83.3 66.3 -76.9 -12.3 37.7 -12.4 -11.4 85 340 A K G < S- 0 0 108 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.433 98.4-146.8 -83.5 -1.0 36.0 -14.0 -8.4 86 341 A E < + 0 0 164 -3,-1.0 -3,-0.1 1,-0.2 -2,-0.1 0.850 25.4 178.2 31.6 72.5 37.8 -17.1 -9.6 87 342 A L > - 0 0 20 1,-0.2 4,-0.6 -5,-0.1 3,-0.4 -0.929 23.0-145.2-106.2 116.3 35.2 -19.6 -8.5 88 343 A P T >4 S+ 0 0 85 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.888 94.0 42.6 -47.0 -66.5 36.2 -23.2 -9.3 89 344 A Y T 34 S+ 0 0 46 -40,-0.3 -37,-0.1 1,-0.3 -39,-0.1 0.819 101.4 70.4 -53.6 -37.2 32.9 -24.8 -10.2 90 345 A L T 34 S- 0 0 10 -3,-0.4 -1,-0.3 -44,-0.1 -7,-0.0 0.717 89.4-151.6 -56.8 -21.1 31.8 -21.7 -12.1 91 346 A D << + 0 0 144 -3,-2.2 -2,-0.1 -4,-0.6 -1,-0.1 0.947 26.7 177.3 44.7 76.1 34.3 -22.6 -14.8 92 347 A M - 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0 0 0 -5,-2.3 -1,-0.2 1,-0.1 -20,-0.1 -0.352 15.1-159.6 -55.0 135.6 30.6 15.2 -39.3 584 521 B D + 0 0 33 -22,-2.0 -251,-2.5 1,-0.3 2,-0.4 0.824 68.2 26.7 -89.9 -37.1 33.4 17.4 -40.8 585 522 B E E -ls 333 563E 26 -23,-1.5 -21,-1.7 -253,-0.2 2,-0.5 -0.995 57.0-163.5-138.1 131.0 36.1 14.8 -41.3 586 523 B F E -ls 334 564E 0 -253,-2.9 -251,-3.2 -2,-0.4 2,-0.4 -0.961 13.0-169.9-111.2 118.4 36.1 11.0 -41.8 587 524 B S E +l 335 0E 0 -23,-3.0 2,-0.3 -2,-0.5 -251,-0.3 -0.933 22.5 140.9-115.0 134.0 39.5 9.3 -41.2 588 525 B M E -l 336 0E 5 -253,-1.9 -251,-1.8 -2,-0.4 -232,-0.1 -0.954 56.5 -53.6-159.0 166.2 39.9 5.7 -42.2 589 526 B S >> - 0 0 71 -2,-0.3 3,-2.1 -253,-0.2 4,-0.5 -0.328 61.7-117.1 -47.0 133.0 42.0 2.8 -43.6 590 527 B A G >4 S+ 0 0 14 -253,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.839 109.9 58.1 -51.0 -42.7 43.1 4.2 -47.0 591 528 B T G 34 S+ 0 0 106 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.625 98.8 61.1 -70.5 -11.1 41.3 1.6 -49.1 592 529 B S G <> S+ 0 0 32 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.653 83.4 83.6 -84.1 -17.2 37.9 2.5 -47.5 593 530 B I H S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.896 110.4 48.6 -58.7 -42.5 36.8 5.5 -52.4 595 532 B E H > S+ 0 0 106 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.914 112.9 46.9 -63.8 -44.6 33.6 3.6 -51.2 596 533 B I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.921 111.6 51.9 -63.0 -42.6 32.8 6.3 -48.6 597 534 B K H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 107.2 53.5 -58.7 -42.9 33.4 9.1 -51.2 598 535 B N H X S+ 0 0 79 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.896 108.6 48.9 -60.8 -42.1 31.0 7.3 -53.6 599 536 B I H >< S+ 0 0 21 -4,-1.8 3,-1.1 2,-0.2 -2,-0.2 0.955 111.9 48.0 -62.4 -51.4 28.2 7.2 -51.0 600 537 B I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.895 109.9 52.7 -56.4 -42.6 28.6 10.9 -50.2 601 538 B R H 3< S+ 0 0 80 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.662 111.6 48.1 -70.4 -13.2 28.6 11.9 -53.8 602 539 B N T << S+ 0 0 119 -3,-1.1 2,-0.4 -4,-0.7 -1,-0.2 0.181 100.1 70.1-116.5 17.0 25.4 9.9 -54.4 603 540 B V S < S- 0 0 20 -3,-1.2 -275,-0.2 -4,-0.2 2,-0.2 -0.999 78.6-119.6-135.1 135.6 23.2 11.1 -51.5 604 541 B E > - 0 0 90 -2,-0.4 4,-2.6 -278,-0.2 5,-0.2 -0.486 16.6-135.3 -68.8 138.7 21.5 14.5 -51.0 605 542 B Y H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 108.1 55.5 -59.2 -42.0 22.6 16.2 -47.8 606 543 B E H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 110.4 45.6 -58.6 -39.8 19.0 17.1 -47.1 607 544 B K H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.892 109.5 54.2 -69.1 -41.5 18.1 13.4 -47.4 608 545 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -28,-0.3 0.883 106.0 53.7 -60.4 -38.0 21.1 12.4 -45.2 609 546 B K H X S+ 0 0 77 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 109.9 46.8 -64.1 -40.8 19.8 14.8 -42.5 610 547 B E H X S+ 0 0 103 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.911 113.4 48.5 -64.6 -44.7 16.4 13.1 -42.5 611 548 B I H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.896 110.9 50.6 -62.5 -42.2 17.9 9.7 -42.4 612 549 B A H X S+ 0 0 3 -4,-2.7 4,-2.5 -36,-0.2 -2,-0.2 0.927 110.5 49.9 -60.5 -45.6 20.2 10.7 -39.5 613 550 B E H X S+ 0 0 123 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.911 110.4 50.0 -59.9 -43.9 17.2 12.1 -37.7 614 551 B K H >< S+ 0 0 97 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.922 110.9 49.4 -59.2 -46.4 15.3 8.8 -38.2 615 552 B A H >< S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.899 108.0 53.2 -60.8 -41.9 18.3 6.8 -36.9 616 553 B L H 3< S+ 0 0 33 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.569 106.3 55.7 -72.6 -8.5 18.5 9.0 -33.8 617 554 B N T << S+ 0 0 124 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.423 91.0 95.6 -99.2 -1.0 14.8 8.3 -33.2 618 555 B M < - 0 0 43 -3,-1.5 3,-0.1 -4,-0.3 -3,-0.0 -0.506 59.5-153.3 -93.2 161.4 15.2 4.5 -33.2 619 556 B S S S+ 0 0 50 -2,-0.2 2,-0.4 1,-0.1 -478,-0.3 0.589 70.8 59.2-108.5 -15.5 15.6 2.3 -30.2 620 557 B E >> - 0 0 53 1,-0.1 4,-2.1 -79,-0.1 3,-0.6 -0.967 61.3-147.1-130.2 126.9 17.5 -0.8 -31.5 621 558 B A H 3> S+ 0 0 5 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.883 102.6 57.7 -52.5 -42.9 21.0 -1.1 -33.1 622 559 B R H 3> S+ 0 0 178 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 107.7 46.4 -59.0 -39.0 19.7 -4.0 -35.2 623 560 B E H <> S+ 0 0 85 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.874 110.9 52.0 -73.6 -36.8 16.9 -1.9 -36.7 624 561 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.927 110.3 48.9 -62.5 -45.0 19.2 1.0 -37.4 625 562 B E H X S+ 0 0 62 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.895 109.7 52.4 -61.1 -40.5 21.6 -1.4 -39.2 626 563 B K H X S+ 0 0 138 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.924 110.5 47.8 -60.8 -46.3 18.6 -2.8 -41.2 627 564 B M H X S+ 0 0 31 -4,-2.3 4,-1.9 1,-0.2 3,-0.2 0.918 111.3 49.7 -60.4 -46.3 17.6 0.7 -42.3 628 565 B M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.850 104.6 57.7 -67.5 -34.0 21.1 1.7 -43.3 629 566 B K H X S+ 0 0 152 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.900 109.9 45.8 -60.6 -37.7 21.5 -1.4 -45.4 630 567 B D H < S+ 0 0 106 -4,-1.5 4,-0.5 -3,-0.2 -2,-0.2 0.844 107.5 58.7 -71.5 -35.8 18.4 -0.4 -47.4 631 568 B V H < S+ 0 0 22 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.914 116.7 30.7 -60.4 -44.1 19.7 3.2 -47.6 632 569 B I H < S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.533 88.2 102.0 -97.0 -4.4 22.9 2.3 -49.4 633 570 B K < 0 0 168 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 0.838 360.0 360.0 -46.3 -42.9 21.6 -0.8 -51.3 634 571 B D 0 0 169 -4,-0.5 -1,-0.1 -3,-0.3 -4,-0.0 -0.377 360.0 360.0 -54.4 360.0 21.3 1.2 -54.4