==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/SIGNALING PROTEIN 19-FEB-13 4JAV . COMPND 2 MOLECULE: HISTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.I.PODGORNAIA,P.CASINO,A.MARINA,M.T.LAUB . 731 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 7.9 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 . 2 0.3 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 . 45 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 0 0 2 1 5 2 1 1 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 2 4 2 0 2 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 2 0 1 4 1 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 . 2 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 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 1 234 A N 0 0 157 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.2 0.6 -16.5 -16.6 2 235 A V - 0 0 74 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.784 360.0 -94.9-127.6 165.0 -0.3 -18.0 -13.1 3 236 A T > - 0 0 91 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.362 33.8-114.3 -76.8 163.5 -2.4 -17.0 -10.1 4 237 A E H > S+ 0 0 81 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.818 115.1 53.3 -67.7 -33.9 -0.9 -15.2 -7.0 5 238 A S H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 110.8 45.0 -67.3 -44.7 -1.6 -18.2 -4.8 6 239 A K H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.843 109.5 55.8 -70.7 -35.0 0.2 -20.7 -7.1 7 240 A E H X S+ 0 0 80 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.809 110.2 48.5 -63.7 -30.5 3.1 -18.2 -7.5 8 241 A L H X S+ 0 0 15 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.931 110.1 46.9 -75.4 -49.6 3.4 -18.2 -3.7 9 242 A E H X S+ 0 0 108 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.829 112.6 52.1 -65.4 -32.9 3.3 -22.0 -3.1 10 243 A R H X S+ 0 0 69 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.976 110.5 46.6 -61.9 -56.6 5.9 -22.5 -5.8 11 244 A L H X S+ 0 0 36 -4,-1.6 4,-2.4 1,-0.3 -2,-0.2 0.871 111.9 51.1 -55.3 -43.0 8.3 -19.9 -4.3 12 245 A K H X S+ 0 0 77 -4,-2.4 4,-1.7 2,-0.2 -1,-0.3 0.849 109.9 50.3 -62.0 -37.6 7.8 -21.4 -0.8 13 246 A R H X S+ 0 0 64 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.893 110.2 49.8 -67.7 -42.3 8.6 -24.9 -2.3 14 247 A I H X S+ 0 0 27 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.891 108.3 54.7 -60.6 -41.9 11.8 -23.4 -4.0 15 248 A D H X S+ 0 0 19 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.895 104.3 53.2 -58.8 -45.2 12.8 -21.9 -0.6 16 249 A R H X S+ 0 0 160 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.905 113.5 43.1 -56.0 -44.9 12.6 -25.2 1.2 17 250 A M H X S+ 0 0 22 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.836 113.2 50.4 -75.9 -35.4 14.9 -26.8 -1.3 18 251 A K H X S+ 0 0 37 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.929 112.8 49.1 -60.4 -47.5 17.3 -23.9 -1.4 19 252 A T H X S+ 0 0 27 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.893 111.8 47.8 -57.3 -44.7 17.3 -24.1 2.4 20 253 A E H X S+ 0 0 98 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.857 111.8 50.3 -68.9 -36.9 18.0 -27.8 2.3 21 254 A F H X S+ 0 0 22 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.970 111.7 46.2 -62.2 -56.1 20.8 -27.4 -0.3 22 255 A I H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.856 111.3 53.1 -57.0 -41.0 22.6 -24.7 1.7 23 256 A A H X S+ 0 0 7 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.908 112.7 44.3 -60.2 -44.7 22.3 -26.7 5.0 24 257 A N H X S+ 0 0 78 -4,-1.8 4,-2.4 2,-0.2 3,-0.5 0.952 113.3 47.3 -66.6 -52.5 23.9 -29.8 3.4 25 258 A I H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.839 105.3 61.6 -63.5 -33.5 26.7 -28.1 1.5 26 259 A S H X S+ 0 0 1 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.910 110.1 40.8 -54.3 -45.4 27.6 -26.1 4.7 27 260 A H H >X S+ 0 0 84 -4,-1.2 4,-1.0 -3,-0.5 3,-0.7 0.902 112.7 53.3 -72.4 -43.3 28.3 -29.4 6.5 28 261 A E H 3< S+ 0 0 92 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.873 107.8 52.2 -58.4 -39.6 30.0 -31.0 3.5 29 262 A L H 3X S+ 0 0 3 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.721 100.3 64.2 -68.4 -24.6 32.4 -28.0 3.3 30 263 A R H S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.896 113.5 53.6 -60.4 -39.7 37.9 -30.8 4.3 33 266 A L H X S+ 0 0 1 -4,-1.1 4,-3.5 2,-0.2 5,-0.2 0.910 105.0 52.9 -61.7 -46.2 38.5 -27.6 6.3 34 267 A T H X S+ 0 0 65 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.943 113.2 45.0 -51.7 -51.4 38.9 -29.5 9.6 35 268 A A H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.934 113.1 50.3 -57.7 -50.0 41.4 -31.8 7.9 36 269 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.940 114.7 44.1 -54.0 -51.3 43.2 -28.8 6.3 37 270 A K H X S+ 0 0 33 -4,-3.5 4,-2.9 2,-0.2 5,-0.3 0.918 112.5 50.8 -60.3 -49.3 43.4 -27.0 9.7 38 271 A A H X S+ 0 0 18 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.940 115.1 42.6 -56.8 -51.2 44.5 -30.0 11.7 39 272 A Y H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.905 113.6 51.5 -63.4 -45.0 47.3 -30.8 9.2 40 273 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.946 113.9 44.2 -56.5 -50.5 48.4 -27.1 8.9 41 274 A E H X S+ 0 0 68 -4,-2.9 4,-1.8 1,-0.2 5,-0.2 0.891 110.8 54.0 -63.0 -42.9 48.6 -26.7 12.7 42 275 A T H X S+ 0 0 2 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.908 112.4 44.4 -59.4 -44.8 50.3 -30.0 13.2 43 276 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.955 110.6 54.0 -61.3 -53.1 53.1 -29.1 10.7 44 277 A Y H >< S+ 0 0 61 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.805 110.4 44.2 -57.6 -37.6 53.5 -25.5 12.0 45 278 A N H 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.720 118.2 43.3 -83.9 -22.5 54.2 -26.4 15.6 46 279 A S T XX S+ 0 0 0 -4,-1.0 3,-0.7 -3,-0.6 4,-0.6 -0.113 82.4 135.5-107.0 33.6 56.5 -29.3 14.8 47 280 A L G X4 S+ 0 0 26 -3,-0.8 3,-1.0 1,-0.3 -1,-0.1 0.915 71.0 32.0 -53.1 -66.7 58.2 -27.1 12.2 48 281 A G G 34 S+ 0 0 67 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.606 121.3 53.9 -67.1 -10.2 61.9 -27.7 12.8 49 282 A E G <4 S+ 0 0 87 -3,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.284 75.7 114.1-117.4 9.2 61.3 -31.3 13.9 50 283 A L << - 0 0 27 -3,-1.0 2,-0.2 -4,-0.6 -7,-0.0 -0.594 67.3-116.3 -83.2 142.4 59.3 -33.1 11.2 51 284 A D > - 0 0 84 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.573 26.8-124.3 -67.5 137.4 60.7 -36.0 9.1 52 285 A L H > S+ 0 0 106 1,-0.2 4,-2.5 -2,-0.2 -1,-0.1 0.865 111.8 50.7 -54.9 -41.1 60.9 -34.9 5.5 53 286 A S H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 111.6 48.1 -63.2 -39.6 58.7 -37.9 4.4 54 287 A T H > S+ 0 0 4 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.882 111.5 49.3 -70.3 -40.6 56.1 -37.0 7.1 55 288 A L H X S+ 0 0 16 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.908 109.8 53.3 -61.9 -42.4 56.1 -33.3 6.0 56 289 A K H X S+ 0 0 95 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.892 112.2 43.5 -58.7 -43.1 55.7 -34.5 2.4 57 290 A E H X S+ 0 0 40 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.876 110.3 55.1 -73.7 -38.6 52.6 -36.6 3.3 58 291 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.819 110.3 47.3 -63.4 -33.6 51.1 -33.9 5.5 59 292 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.846 107.3 56.1 -75.3 -37.5 51.3 -31.5 2.6 60 293 A E H X S+ 0 0 58 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.930 106.8 50.3 -57.6 -47.1 49.8 -34.0 0.2 61 294 A V H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.908 109.4 50.9 -58.8 -44.9 46.7 -34.3 2.5 62 295 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.909 112.9 46.4 -58.4 -44.6 46.4 -30.5 2.6 63 296 A I H X S+ 0 0 19 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.911 113.6 47.7 -65.5 -45.0 46.5 -30.4 -1.2 64 297 A D H X S+ 0 0 94 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.929 114.7 45.7 -61.1 -47.5 44.0 -33.3 -1.6 65 298 A Q H X S+ 0 0 48 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.847 109.2 56.2 -65.8 -34.9 41.6 -31.7 0.9 66 299 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.895 108.8 48.0 -60.1 -41.2 42.0 -28.4 -0.8 67 300 A N H X S+ 0 0 55 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.870 110.8 49.6 -68.0 -40.1 40.9 -30.0 -4.1 68 301 A H H X S+ 0 0 84 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 112.3 47.9 -64.2 -44.3 37.9 -31.7 -2.5 69 302 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 109.0 54.8 -61.4 -42.4 36.9 -28.4 -0.9 70 303 A E H X S+ 0 0 51 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.882 108.1 49.0 -58.4 -42.2 37.4 -26.7 -4.3 71 304 A N H X S+ 0 0 99 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.932 112.7 46.8 -61.2 -47.9 35.0 -29.2 -5.8 72 305 A L H X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.831 109.5 54.6 -65.1 -33.5 32.4 -28.6 -3.1 73 306 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.860 104.0 55.4 -67.6 -35.8 32.8 -24.9 -3.5 74 307 A N H X S+ 0 0 50 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.829 102.2 56.5 -65.4 -34.6 32.0 -25.2 -7.2 75 308 A E H X S+ 0 0 86 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.926 112.7 41.6 -58.6 -47.1 28.7 -27.0 -6.4 76 309 A L H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.838 113.5 52.9 -69.4 -36.9 27.8 -23.9 -4.3 77 310 A L H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.911 109.4 48.7 -66.0 -42.9 29.1 -21.5 -6.9 78 311 A D H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.908 108.6 53.5 -61.3 -46.5 27.1 -23.2 -9.7 79 312 A F H X S+ 0 0 4 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.870 114.1 43.4 -52.2 -41.4 24.0 -23.0 -7.5 80 313 A S H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.897 115.3 46.7 -74.6 -42.9 24.7 -19.3 -7.1 81 314 A R H <>S+ 0 0 44 -4,-3.0 5,-2.3 1,-0.2 -2,-0.2 0.765 107.0 60.1 -70.8 -27.3 25.5 -18.7 -10.8 82 315 A L H ><5S+ 0 0 10 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.931 106.0 45.0 -65.7 -48.6 22.4 -20.7 -11.9 83 316 A E T 3<5S+ 0 0 38 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.560 117.6 46.7 -73.0 -8.4 20.0 -18.3 -10.1 84 317 A R T 3 5S- 0 0 70 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.2 0.347 105.5-134.7-106.5 0.3 22.0 -15.5 -11.6 85 318 A K T < 5 + 0 0 183 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.2 0.812 67.0 120.4 44.9 44.2 22.0 -17.1 -15.0 86 319 A S < + 0 0 44 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.1 -0.669 30.9 159.2-137.8 78.7 25.7 -16.4 -15.5 87 320 A L - 0 0 16 -2,-0.3 2,-0.2 -5,-0.1 -9,-0.0 -0.779 27.9-137.1-103.8 148.4 27.8 -19.6 -16.1 88 321 A Q - 0 0 103 -2,-0.3 2,-0.3 2,-0.0 134,-0.1 -0.536 12.8-161.0 -99.0 164.9 31.2 -19.8 -17.7 89 322 A I - 0 0 40 -2,-0.2 2,-0.3 133,-0.1 130,-0.0 -0.994 9.6-165.6-148.4 143.6 32.6 -22.3 -20.2 90 323 A N - 0 0 116 -2,-0.3 45,-0.2 2,-0.1 46,-0.1 -0.755 16.1-161.5-134.0 87.4 36.2 -23.3 -21.3 91 324 A R + 0 0 105 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.382 18.4 159.1 -73.4 143.2 36.3 -25.3 -24.5 92 325 A E E -A 132 0A 106 40,-1.1 40,-1.3 38,-0.1 2,-0.5 -0.953 50.2 -89.9-158.7 147.2 39.4 -27.4 -25.5 93 326 A K E +A 131 0A 143 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.447 60.6 161.6 -63.2 110.4 40.0 -30.4 -27.8 94 327 A V E -A 130 0A 28 36,-2.9 36,-2.5 -2,-0.5 2,-0.6 -0.929 45.5-106.4-130.5 156.0 39.4 -33.5 -25.7 95 328 A D E > -A 129 0A 50 -2,-0.3 4,-0.7 34,-0.2 34,-0.2 -0.737 23.8-163.2 -81.4 120.3 38.7 -37.2 -26.3 96 329 A L H > S+ 0 0 0 32,-2.6 4,-1.8 -2,-0.6 5,-0.3 0.776 79.1 71.2 -75.2 -27.7 35.1 -37.8 -25.4 97 330 A a H > S+ 0 0 2 1,-0.2 4,-1.3 31,-0.2 3,-0.3 0.943 107.7 30.2 -55.2 -58.8 35.6 -41.6 -25.2 98 331 A D H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.663 111.3 70.4 -79.0 -14.5 37.6 -41.7 -22.0 99 332 A L H X S+ 0 0 16 -4,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.881 106.6 36.8 -67.3 -40.4 35.8 -38.6 -20.7 100 333 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.827 113.2 59.3 -76.1 -33.6 32.6 -40.7 -20.3 101 334 A E H X S+ 0 0 95 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.802 101.8 55.1 -65.0 -31.5 34.7 -43.6 -19.2 102 335 A S H X S+ 0 0 52 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.908 109.8 45.3 -63.3 -44.6 35.9 -41.4 -16.4 103 336 A A H < S+ 0 0 0 -4,-1.0 4,-0.3 2,-0.2 -2,-0.2 0.804 108.8 56.2 -72.3 -31.2 32.3 -40.7 -15.3 104 337 A V H >X S+ 0 0 19 -4,-2.2 4,-1.1 1,-0.2 3,-0.7 0.886 111.3 43.8 -66.0 -41.1 31.4 -44.4 -15.6 105 338 A N H 3< S+ 0 0 91 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.797 107.7 61.1 -70.8 -29.8 34.2 -45.3 -13.2 106 339 A A T 3< S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.541 115.9 30.8 -74.5 -7.3 33.2 -42.3 -11.0 107 340 A I T <> S+ 0 0 10 -3,-0.7 4,-3.1 -4,-0.3 5,-0.3 0.522 84.7 98.3-130.0 -12.2 29.7 -43.9 -10.4 108 341 A K H X S+ 0 0 113 -4,-1.1 4,-1.4 1,-0.2 8,-0.1 0.813 88.1 53.3 -51.1 -34.5 30.1 -47.7 -10.5 109 342 A E H > S+ 0 0 165 -4,-0.4 4,-1.0 2,-0.2 3,-0.3 0.959 114.1 39.4 -63.8 -53.0 30.2 -47.7 -6.7 110 343 A F H 4 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.814 113.3 57.0 -67.7 -32.3 27.0 -45.8 -6.4 111 344 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.6 1,-0.2 3,-0.8 0.804 104.1 52.4 -68.6 -32.3 25.4 -47.7 -9.3 112 345 A S H ><5S+ 0 0 79 -4,-1.4 3,-1.5 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15.4-145.8-109.1 117.2 62.0 -13.0 -15.8 694 81 D V E -qr 665 715F 0 20,-2.6 22,-3.5 -2,-0.6 2,-0.5 -0.683 15.1-175.5 -81.8 129.5 58.9 -14.9 -16.9 695 82 D L E + r 0 716F 3 -30,-2.7 2,-0.3 -2,-0.4 -28,-0.2 -0.874 23.8 160.3-124.7 94.5 57.2 -16.9 -14.2 696 83 D T E - r 0 717F 8 20,-1.9 22,-2.1 -2,-0.5 -30,-0.1 -0.831 49.5-141.8-124.6 156.3 54.3 -18.7 -15.8 697 84 D A + 0 0 58 -2,-0.3 2,-0.5 20,-0.2 20,-0.1 0.034 59.9 133.8 -97.0 23.1 52.0 -21.7 -15.2 698 85 D K - 0 0 71 1,-0.1 -2,-0.1 2,-0.1 6,-0.1 -0.659 41.4-164.9 -84.8 124.4 52.1 -22.6 -18.9 699 86 D G + 0 0 70 -2,-0.5 -1,-0.1 18,-0.1 2,-0.1 0.897 65.2 85.5 -71.9 -44.8 52.7 -26.3 -19.7 700 87 D G - 0 0 27 1,-0.1 3,-0.4 2,-0.0 4,-0.4 -0.385 61.8-157.3 -64.7 132.0 53.6 -25.8 -23.4 701 88 D E S > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.322 86.3 79.4 -94.4 5.8 57.2 -25.1 -24.1 702 89 D E H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.810 92.0 55.1 -71.4 -34.9 56.3 -23.5 -27.5 703 90 D D H > S+ 0 0 32 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.855 100.4 58.7 -61.5 -39.5 55.4 -20.6 -25.3 704 91 D E H > S+ 0 0 57 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.869 106.3 47.5 -60.1 -40.5 58.9 -20.6 -23.8 705 92 D S H X S+ 0 0 81 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.928 111.7 50.2 -64.0 -47.3 60.4 -20.1 -27.3 706 93 D L H X S+ 0 0 82 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.783 114.7 45.2 -62.1 -31.2 57.9 -17.3 -28.0 707 94 D A H <>S+ 0 0 2 -4,-1.9 5,-1.8 2,-0.2 3,-0.3 0.924 110.9 49.6 -78.8 -49.7 58.9 -15.6 -24.7 708 95 D L H ><5S+ 0 0 80 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.825 110.6 52.5 -60.1 -35.0 62.7 -16.0 -24.9 709 96 D S H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 102.5 58.8 -67.6 -36.6 62.6 -14.5 -28.5 710 97 D L T 3<5S- 0 0 39 -4,-0.8 -1,-0.2 -3,-0.3 -28,-0.2 0.360 134.4 -80.3 -80.4 5.3 60.6 -11.5 -27.3 711 98 D G T < 5S+ 0 0 30 -3,-0.8 -19,-0.5 1,-0.3 2,-0.4 0.436 75.3 152.4 116.1 2.8 63.4 -10.5 -24.8 712 99 D A < - 0 0 6 -5,-1.8 -1,-0.3 1,-0.2 -19,-0.2 -0.514 32.2-158.4 -68.5 119.6 62.8 -12.7 -21.8 713 100 D R S S- 0 0 143 -21,-1.7 2,-0.3 -2,-0.4 -20,-0.2 0.692 78.3 -1.1 -73.6 -21.1 66.2 -13.2 -20.0 714 101 D K E -r 693 0F 75 -22,-1.0 -20,-2.6 -7,-0.1 2,-0.5 -0.931 60.5-146.9-162.9 149.3 64.8 -16.4 -18.4 715 102 D V E -r 694 0F 11 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.948 20.7-176.1-122.3 110.7 61.5 -18.4 -18.3 716 103 D M E -r 695 0F 10 -22,-3.5 -20,-1.9 -2,-0.5 2,-0.2 -0.831 17.9-131.1-107.2 143.7 60.7 -20.2 -15.1 717 104 D R E -r 696 0F 147 -2,-0.3 -20,-0.2 -22,-0.2 -18,-0.1 -0.620 35.9 -74.3 -94.9 151.2 57.7 -22.5 -14.5 718 105 D K S S+ 0 0 45 -22,-2.1 2,-0.1 -2,-0.2 -1,-0.0 -0.595 103.8 54.3 -83.3 149.2 55.1 -22.4 -11.7 719 106 D P S S- 0 0 40 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.567 91.1-133.2 -72.1 152.4 55.2 -23.2 -8.8 720 107 D F - 0 0 6 -2,-0.1 -2,-0.1 -4,-0.1 -429,-0.1 -0.535 6.0-142.9 -85.0 138.1 58.3 -21.1 -8.1 721 108 D S > - 0 0 12 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.895 7.5-149.8 -99.9 112.4 61.3 -22.3 -6.2 722 109 D P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.699 95.3 50.0 -54.9 -28.5 62.7 -19.5 -4.0 723 110 D S H > S+ 0 0 57 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.946 114.4 41.7 -74.7 -51.8 66.3 -20.9 -4.2 724 111 D Q H > S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.836 118.2 49.5 -61.3 -35.4 66.3 -21.2 -8.0 725 112 D F H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 3,-0.4 0.940 109.9 46.8 -71.0 -51.8 64.5 -17.9 -8.3 726 113 D I H X S+ 0 0 17 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.808 108.4 58.7 -62.3 -31.0 66.8 -15.8 -6.0 727 114 D E H X S+ 0 0 145 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.882 107.7 45.5 -63.6 -41.0 69.8 -17.3 -7.8 728 115 D E H X S+ 0 0 26 -4,-1.1 4,-1.3 -3,-0.4 -2,-0.2 0.816 109.5 54.7 -73.0 -33.7 68.6 -15.9 -11.1 729 116 D V H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 3,-0.2 0.904 111.2 44.3 -67.8 -42.7 67.8 -12.5 -9.7 730 117 D K H >< S+ 0 0 87 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.827 109.2 59.7 -66.8 -33.2 71.4 -12.1 -8.3 731 118 D H H 3< S+ 0 0 129 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.817 110.6 39.9 -62.9 -33.8 72.6 -13.5 -11.7 732 119 D L T 3< S+ 0 0 19 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.388 114.1 52.4-100.9 1.4 71.0 -10.6 -13.5 733 120 D L < 0 0 26 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.211 360.0 360.0-121.7 13.3 71.8 -7.8 -11.0 734 121 D N 0 0 168 -4,-0.3 -3,-0.1 -3,-0.3 -4,-0.0 -0.218 360.0 360.0-134.1 360.0 75.6 -8.3 -10.7