==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-DEC-09 3L3P . COMPND 2 MOLECULE: IPAH9.8; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR A.SEYEDARABI,J.A.SULLIVAN,C.SASAKAWA,R.W.PICKERSGILL . 263 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 0 0 2 1 1 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 253 A S > 0 0 93 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-178.8 -6.2 -0.7 9.7 2 254 A L H > + 0 0 3 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.865 360.0 64.8 -73.4 -40.3 -8.0 2.0 11.7 3 255 A A H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.763 109.8 40.8 -55.8 -27.9 -5.0 4.0 12.8 4 256 A D H > S+ 0 0 98 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.746 109.8 55.7 -93.7 -29.3 -4.2 4.9 9.1 5 257 A A H < S+ 0 0 3 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.806 112.9 42.9 -73.2 -31.5 -7.8 5.6 8.0 6 258 A V H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.897 108.9 57.0 -77.7 -44.2 -8.4 8.2 10.7 7 259 A T H >< S+ 0 0 18 -4,-0.8 3,-1.5 -5,-0.3 -2,-0.2 0.712 89.8 74.1 -64.4 -22.8 -5.0 9.9 10.3 8 260 A A T 3< S+ 0 0 45 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.413 88.2 62.9 -73.1 2.2 -5.5 10.7 6.6 9 261 A W T < S+ 0 0 7 -3,-1.4 47,-0.3 2,-0.1 -1,-0.3 0.422 93.5 76.5-104.0 -2.7 -8.0 13.4 7.5 10 262 A F S < S- 0 0 5 -3,-1.5 43,-0.1 -4,-0.1 2,-0.0 -0.721 83.1-103.1-112.2 156.1 -5.4 15.6 9.4 11 263 A P >> - 0 0 68 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.294 46.3 -93.9 -69.5 164.6 -2.6 18.0 8.3 12 264 A E H 3> S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 3,-0.1 0.801 121.1 54.3 -49.3 -43.6 1.1 16.9 8.5 13 265 A N H 34 S+ 0 0 118 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.900 117.2 34.5 -60.8 -45.3 1.7 18.4 11.9 14 266 A K H <> S+ 0 0 93 -3,-0.6 4,-2.0 1,-0.2 5,-0.3 0.571 98.4 88.3 -86.7 -11.0 -1.2 16.5 13.7 15 267 A Q H X S+ 0 0 48 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.877 88.1 44.8 -55.1 -46.8 -0.8 13.4 11.5 16 268 A S H X S+ 0 0 80 -4,-0.7 4,-1.2 -3,-0.3 -1,-0.2 0.904 116.4 40.9 -71.4 -46.7 1.8 11.6 13.7 17 269 A D H > S+ 0 0 79 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.803 112.8 53.6 -77.2 -30.9 0.3 12.1 17.2 18 270 A V H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.892 108.8 51.3 -65.6 -40.3 -3.3 11.5 16.1 19 271 A S H < S+ 0 0 33 -4,-1.5 4,-0.3 -5,-0.3 -2,-0.2 0.853 107.0 55.0 -61.4 -36.0 -2.1 8.2 14.6 20 272 A Q H >< S+ 0 0 139 -4,-1.2 3,-0.5 1,-0.2 -1,-0.2 0.860 108.6 47.5 -65.3 -39.0 -0.5 7.5 18.0 21 273 A I H >< S+ 0 0 87 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.949 105.1 55.9 -68.0 -52.3 -3.8 7.9 19.9 22 274 A W G >< S+ 0 0 2 -4,-1.9 3,-0.9 1,-0.3 4,-0.3 0.454 85.7 81.3 -69.3 -1.4 -6.1 5.8 17.7 23 275 A H G < S+ 0 0 115 -3,-0.5 -1,-0.3 -4,-0.3 4,-0.2 0.516 80.7 68.1 -81.7 -2.4 -3.9 2.7 18.0 24 276 A A G < S+ 0 0 85 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.543 100.4 46.9 -88.2 -10.1 -5.5 2.0 21.4 25 277 A F S X S+ 0 0 27 -3,-0.9 3,-1.4 -4,-0.1 -2,-0.2 0.475 75.2 112.4-108.6 -6.7 -8.9 1.3 19.8 26 278 A E T 3 S+ 0 0 44 -4,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.774 83.0 41.6 -35.7 -48.4 -7.6 -1.1 17.1 27 279 A H T 3 S+ 0 0 196 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.424 85.3 119.0-108.4 56.0 -9.3 -4.1 18.6 28 280 A E S X S- 0 0 69 -3,-1.4 3,-1.2 -2,-0.3 4,-0.4 -0.690 78.0 -79.3 -99.5 166.0 -12.7 -2.7 19.7 29 281 A E T 3 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.2 44,-0.1 -0.431 116.7 8.5 -66.1 141.1 -15.9 -4.1 18.2 30 282 A H T 3> S+ 0 0 63 1,-0.1 4,-2.9 -2,-0.1 3,-0.4 0.376 91.4 120.0 68.6 -2.6 -16.7 -2.8 14.7 31 283 A A H <> S+ 0 0 2 -3,-1.2 4,-1.1 1,-0.2 -2,-0.1 0.823 71.0 58.5 -59.5 -32.6 -13.3 -1.2 14.6 32 284 A N H 4 S+ 0 0 139 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.905 114.2 34.3 -58.5 -45.8 -12.7 -3.4 11.5 33 285 A T H >> S+ 0 0 26 -3,-0.4 4,-1.5 2,-0.2 3,-0.9 0.835 108.5 62.1 -86.5 -36.8 -15.6 -1.9 9.6 34 286 A F H 3X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.845 100.1 58.2 -57.4 -36.0 -15.6 1.7 10.8 35 287 A S H 3X S+ 0 0 12 -4,-1.1 4,-0.9 -5,-0.3 -1,-0.3 0.776 103.8 52.1 -64.3 -29.9 -12.1 2.0 9.2 36 288 A A H <> S+ 0 0 37 -3,-0.9 4,-2.0 -4,-0.4 -1,-0.2 0.856 104.9 55.9 -73.1 -38.0 -13.6 1.0 5.9 37 289 A F H X S+ 0 0 60 -4,-1.5 4,-1.5 1,-0.2 5,-0.2 0.896 103.7 53.3 -60.2 -44.9 -16.3 3.7 6.2 38 290 A L H X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.842 110.5 47.6 -60.7 -36.9 -13.7 6.5 6.6 39 291 A D H < S+ 0 0 85 -4,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.852 113.4 47.1 -71.9 -36.7 -12.0 5.4 3.4 40 292 A R H < S+ 0 0 119 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.637 112.0 50.9 -80.9 -15.2 -15.3 5.2 1.5 41 293 A L H >< S+ 0 0 45 -4,-1.5 3,-0.7 -5,-0.2 -1,-0.2 0.706 100.0 66.6 -84.2 -25.2 -16.2 8.7 2.9 42 294 A S T 3< S+ 0 0 58 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.1 0.665 88.6 66.8 -70.9 -18.4 -12.8 9.9 1.7 43 295 A D T 3 S+ 0 0 120 -4,-0.4 2,-2.4 1,-0.2 3,-0.3 0.831 76.9 85.9 -72.4 -34.3 -13.8 9.4 -2.0 44 296 A T < + 0 0 91 -3,-0.7 -1,-0.2 -4,-0.3 -4,-0.0 -0.414 38.5 135.7 -76.4 71.7 -16.5 12.2 -2.0 45 297 A V 0 0 87 -2,-2.4 -1,-0.2 6,-0.0 6,-0.1 0.595 360.0 360.0 -85.1 -15.4 -14.3 15.2 -2.8 46 298 A S 0 0 141 -3,-0.3 -3,-0.0 2,-0.0 0, 0.0 -0.671 360.0 360.0 -86.4 360.0 -17.0 16.2 -5.2 47 ! 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 48 302 A T 0 0 94 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 151.8 -14.4 20.3 -1.7 49 303 A S + 0 0 127 2,-0.0 -4,-0.0 3,-0.0 0, 0.0 -0.916 360.0 19.7-144.5 114.4 -12.4 22.5 0.7 50 304 A G S > S+ 0 0 27 -2,-0.3 4,-0.8 0, 0.0 -1,-0.0 0.112 95.5 93.7 116.1 -18.7 -13.1 22.7 4.4 51 305 A F H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.878 81.4 54.7 -73.0 -41.3 -15.0 19.4 4.7 52 306 A R H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.813 106.9 54.6 -58.9 -30.9 -12.0 17.3 5.7 53 307 A E H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.787 106.7 50.3 -70.9 -31.2 -11.5 19.9 8.4 54 308 A Q H X S+ 0 0 131 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.852 112.3 46.1 -74.8 -38.3 -15.1 19.2 9.6 55 309 A V H X S+ 0 0 9 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.894 111.4 51.7 -70.5 -43.3 -14.6 15.4 9.6 56 310 A A H X S+ 0 0 7 -4,-2.2 4,-1.9 -47,-0.3 -2,-0.2 0.904 108.8 51.1 -59.5 -43.8 -11.3 15.7 11.5 57 311 A A H X S+ 0 0 35 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.863 113.0 46.3 -60.4 -38.8 -12.9 17.9 14.1 58 312 A W H >X S+ 0 0 81 -4,-1.4 4,-0.9 2,-0.2 3,-0.7 0.890 109.5 53.6 -69.0 -42.2 -15.6 15.2 14.4 59 313 A L H 3X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 3,-0.4 0.814 101.8 60.0 -63.1 -32.7 -13.0 12.4 14.6 60 314 A E H 3X S+ 0 0 88 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.804 100.3 56.1 -62.9 -31.4 -11.3 14.3 17.5 61 315 A K H S+ 0 0 65 -2,-0.5 4,-0.7 2,-0.2 -1,-0.1 0.660 95.2 50.2 -76.6 -19.1 -15.6 5.9 24.6 67 321 A E H > S+ 0 0 144 2,-0.2 4,-2.0 3,-0.1 -1,-0.1 0.867 108.2 48.2 -86.7 -44.3 -19.4 6.0 24.5 68 322 A L H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 115.3 47.5 -60.2 -41.7 -19.8 8.3 21.5 69 323 A R H X S+ 0 0 9 -4,-1.4 4,-2.0 -7,-0.3 -1,-0.2 0.827 106.7 57.9 -68.7 -35.0 -17.2 6.2 19.7 70 324 A Q H X S+ 0 0 87 -4,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.919 113.3 39.4 -57.5 -46.8 -19.1 3.1 20.7 71 325 A Q H >X S+ 0 0 106 -4,-2.0 4,-2.5 2,-0.2 3,-0.7 0.978 115.2 49.6 -67.6 -57.8 -22.2 4.4 19.0 72 326 A S H 3X S+ 0 0 21 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.777 110.1 52.6 -56.6 -32.7 -20.6 5.9 15.9 73 327 A F H 3X S+ 0 0 2 -4,-2.0 4,-1.1 2,-0.2 -1,-0.3 0.870 113.0 44.6 -67.3 -39.2 -18.6 2.7 15.3 74 328 A A H X S+ 0 0 36 -4,-1.2 4,-1.2 -3,-0.3 3,-1.1 0.846 103.5 60.5 -83.6 -38.9 -26.8 -9.3 -4.4 90 344 A T H 3X S+ 0 0 67 -4,-2.5 4,-2.0 1,-0.3 -2,-0.2 0.816 96.7 62.3 -58.9 -32.8 -24.8 -7.5 -7.2 91 345 A W H 3X S+ 0 0 153 -4,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.817 101.7 51.5 -62.3 -33.0 -23.0 -10.8 -7.8 92 346 A N H <> S+ 0 0 7 -3,-1.1 4,-1.1 -4,-0.4 -1,-0.2 0.828 110.1 48.9 -69.5 -34.9 -26.4 -12.4 -8.7 93 347 A N H X S+ 0 0 86 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.788 108.8 53.2 -74.6 -30.9 -27.0 -9.6 -11.1 94 348 A L H X S+ 0 0 93 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.850 109.4 48.0 -69.4 -37.5 -23.6 -10.1 -12.7 95 349 A R H X S+ 0 0 48 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.764 107.6 56.5 -73.4 -26.7 -24.3 -13.8 -13.2 96 350 A K H X S+ 0 0 73 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.840 109.1 46.8 -69.1 -35.7 -27.6 -12.7 -14.7 97 351 A T H X S+ 0 0 92 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.911 108.9 54.8 -68.6 -45.6 -25.6 -10.6 -17.2 98 352 A L H X S+ 0 0 91 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.909 105.8 51.0 -56.0 -48.8 -23.2 -13.5 -17.9 99 353 A L H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.891 107.4 53.2 -58.2 -44.8 -26.0 -15.9 -18.8 100 354 A V H X S+ 0 0 54 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.919 115.9 40.8 -55.0 -46.0 -27.5 -13.4 -21.3 101 355 A H H X S+ 0 0 111 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.925 113.5 51.2 -70.8 -48.1 -24.1 -13.1 -22.9 102 356 A Q H X>S+ 0 0 58 -4,-3.4 5,-2.6 1,-0.2 4,-1.2 0.869 111.8 48.9 -56.9 -40.4 -23.1 -16.8 -22.8 103 357 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.888 112.1 46.9 -68.2 -41.8 -26.5 -17.7 -24.4 104 358 A S H <5S+ 0 0 54 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.720 108.8 57.2 -72.3 -23.1 -26.1 -15.1 -27.2 105 359 A E H <5S- 0 0 129 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.775 121.3-111.9 -72.6 -30.2 -22.5 -16.4 -27.7 106 360 A G T <5S+ 0 0 19 -4,-1.2 4,-0.2 -5,-0.2 -3,-0.2 0.676 75.6 133.5 105.4 25.1 -24.0 -19.8 -28.3 107 361 A L S S+ 0 0 7 -6,-0.3 3,-2.6 1,-0.2 -1,-0.2 0.412 80.5 122.0-101.0 -0.1 -26.3 -23.2 -24.7 109 363 A D T 3 S+ 0 0 37 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.761 98.6 5.7 -34.2 -54.9 -27.2 -23.6 -28.4 110 364 A N T 3 S+ 0 0 155 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 -0.025 116.6 86.3-121.7 28.5 -27.8 -27.3 -28.1 111 365 A D <> + 0 0 84 -3,-2.6 4,-1.1 1,-0.1 3,-0.3 -0.623 42.2 148.5-122.4 70.0 -27.4 -27.5 -24.3 112 366 A T H > + 0 0 33 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.726 64.1 67.7 -76.5 -24.4 -30.9 -26.7 -23.2 113 367 A G H > S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 102.2 45.2 -61.7 -41.0 -30.6 -28.9 -20.1 114 368 A A H > S+ 0 0 33 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 114.1 46.8 -72.7 -41.9 -28.1 -26.6 -18.5 115 369 A L H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.891 112.0 51.5 -67.2 -40.6 -29.9 -23.3 -19.3 116 370 A L H X S+ 0 0 46 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.865 112.8 46.4 -62.0 -38.4 -33.2 -24.8 -18.1 117 371 A S H X S+ 0 0 74 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.875 112.9 47.9 -71.3 -41.1 -31.4 -25.8 -14.8 118 372 A L H X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.816 107.9 57.1 -69.1 -32.1 -29.7 -22.4 -14.4 119 373 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.865 102.9 53.8 -64.1 -39.4 -33.1 -20.8 -15.1 120 374 A R H X S+ 0 0 89 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.889 107.4 51.6 -60.8 -41.3 -34.6 -22.7 -12.2 121 375 A E H X S+ 0 0 20 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.892 111.8 45.9 -62.4 -42.8 -31.8 -21.4 -9.9 122 376 A M H X S+ 0 0 23 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.826 111.7 52.7 -69.3 -33.9 -32.6 -17.8 -11.0 123 377 A F H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.897 106.4 51.9 -68.4 -43.1 -36.3 -18.3 -10.5 124 378 A R H X S+ 0 0 15 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.828 108.4 52.3 -63.2 -34.6 -35.9 -19.6 -7.0 125 379 A L H X S+ 0 0 6 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.872 108.1 50.9 -68.0 -39.5 -33.9 -16.5 -6.1 126 380 A E H X S+ 0 0 85 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.841 109.6 50.2 -63.9 -36.0 -36.6 -14.3 -7.5 127 381 A I H X S+ 0 0 2 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.762 106.0 56.0 -76.3 -25.9 -39.2 -16.1 -5.3 128 382 A L H X S+ 0 0 0 -4,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.767 102.1 57.7 -72.3 -28.5 -36.9 -15.6 -2.3 129 383 A E H X S+ 0 0 80 -4,-1.2 4,-2.0 2,-0.2 3,-0.5 0.860 106.4 47.6 -66.8 -38.4 -37.0 -11.9 -3.0 130 384 A D H < S+ 0 0 74 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.797 105.3 59.8 -71.8 -30.9 -40.8 -12.0 -2.7 131 385 A I H < S+ 0 0 17 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 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