==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-03 1PXV . COMPND 2 MOLECULE: CYSTEINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.FILIPEK,M.RZYCHON,A.OLEKSY,M.GRUCA,A.DUBIN,J.POTEMPA, . 588 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 2 0.3 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 . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 0 4 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 8 8 3 3 2 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 2 0 2 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 1 211 A G 0 0 109 0, 0.0 2,-0.3 0, 0.0 191,-0.1 0.000 360.0 360.0 360.0 147.5 31.4 -12.7 -2.4 2 212 A H - 0 0 84 189,-0.1 2,-0.3 191,-0.0 189,-0.0 -0.885 360.0-154.6-169.8 136.4 28.2 -10.8 -1.9 3 213 A H - 0 0 140 -2,-0.3 2,-0.3 191,-0.0 191,-0.0 -0.758 24.8-110.5-113.5 159.4 25.5 -9.4 -4.2 4 214 A H - 0 0 79 -2,-0.3 2,-0.2 187,-0.0 184,-0.0 -0.686 39.6-169.0 -84.4 144.0 23.0 -6.6 -3.9 5 215 A H - 0 0 97 -2,-0.3 2,-0.2 184,-0.1 348,-0.1 -0.755 24.7 -97.0-125.4 173.9 19.3 -7.7 -3.6 6 216 A H - 0 0 44 -2,-0.2 3,-0.1 346,-0.1 335,-0.0 -0.641 19.6-156.5 -88.9 157.1 15.9 -6.2 -3.7 7 217 A H > + 0 0 26 -2,-0.2 3,-1.6 1,-0.1 181,-0.1 -0.319 34.2 150.4-129.6 51.9 14.1 -5.3 -0.4 8 218 A E T 3 + 0 0 18 1,-0.3 -1,-0.1 3,-0.0 345,-0.0 0.692 63.4 61.3 -56.3 -33.7 10.5 -5.3 -1.7 9 219 A F T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.651 79.7 97.5 -82.6 -12.2 8.9 -6.3 1.6 10 220 A D < - 0 0 36 -3,-1.6 2,-0.6 1,-0.1 -3,-0.1 -0.457 63.4-149.2 -73.1 147.7 10.0 -3.3 3.6 11 221 A Q - 0 0 81 -2,-0.1 130,-2.4 3,-0.0 2,-1.1 -0.924 6.3-162.9-116.8 100.2 7.4 -0.6 4.0 12 222 A V E +A 140 0A 32 -2,-0.6 128,-0.2 128,-0.2 3,-0.1 -0.765 16.2 171.6 -84.9 100.2 9.2 2.8 4.2 13 223 A Q E + 0 0 74 126,-1.9 2,-0.3 -2,-1.1 -1,-0.2 0.734 65.6 9.1 -84.7 -20.5 6.3 4.8 5.6 14 224 A Y E -A 139 0A 77 125,-1.6 125,-2.5 -3,-0.2 2,-0.3 -0.955 61.4-177.5-160.3 136.7 8.4 8.0 6.3 15 225 A E E +A 138 0A 97 -2,-0.3 2,-0.4 123,-0.2 123,-0.2 -1.000 3.3 177.2-142.5 134.7 12.0 9.1 5.4 16 226 A N E +A 137 0A 25 121,-2.8 121,-2.4 -2,-0.3 2,-0.3 -0.877 13.0 170.5-142.1 100.6 13.8 12.3 6.4 17 227 A T E -A 136 0A 24 -2,-0.4 119,-0.2 119,-0.2 3,-0.1 -0.885 43.3 -84.8-121.8 150.9 17.4 12.7 5.4 18 228 A L > - 0 0 4 117,-3.1 3,-2.1 -2,-0.3 89,-0.1 -0.258 51.7-107.5 -58.3 123.9 19.7 15.7 5.5 19 229 A K T 3 S+ 0 0 124 87,-0.4 28,-0.2 1,-0.3 -1,-0.1 -0.251 99.5 8.4 -51.5 132.5 19.4 17.9 2.5 20 230 A N T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.352 85.0 153.7 74.8 3.4 22.3 17.7 0.1 21 231 A F < + 0 0 33 -3,-2.1 2,-0.3 114,-0.1 -1,-0.2 -0.405 11.5 162.6 -64.9 132.8 24.0 14.7 1.8 22 232 A K - 0 0 70 18,-0.3 2,-0.6 -2,-0.2 21,-0.1 -0.986 41.0-123.8-150.9 131.9 26.1 12.6 -0.6 23 233 A I + 0 0 40 -2,-0.3 3,-0.1 1,-0.2 133,-0.0 -0.720 39.9 161.9 -71.3 121.7 28.8 10.1 0.0 24 234 A R + 0 0 112 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.575 57.0 25.3-118.9 -19.6 31.8 11.4 -1.9 25 235 A E - 0 0 56 11,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.981 64.9-139.2-148.7 156.6 34.8 9.6 -0.5 26 236 A Q - 0 0 34 -2,-0.3 2,-0.5 -3,-0.1 126,-0.2 -0.921 18.5-123.5-122.6 140.0 35.5 6.4 1.3 27 237 A Q + 0 0 0 124,-2.7 4,-0.0 -2,-0.4 6,-0.0 -0.734 41.1 150.7 -86.0 123.1 37.8 5.7 4.3 28 238 A F + 0 0 77 -2,-0.5 443,-2.1 442,-0.1 2,-1.6 0.383 63.3 1.8-111.6-114.5 40.5 3.1 3.8 29 239 A D S S+ 0 0 56 441,-0.2 2,-0.3 431,-0.1 441,-0.1 -0.408 107.9 75.6 -83.6 59.9 43.9 2.8 5.4 30 240 A N S S- 0 0 14 -2,-1.6 441,-0.3 431,-0.1 41,-0.2 -0.963 76.9-122.0-155.4 171.1 43.8 5.8 7.7 31 241 A S S S+ 0 0 1 39,-2.7 3,-0.4 -2,-0.3 43,-0.3 -0.032 72.4 117.9-109.3 26.3 42.3 6.9 11.1 32 242 A W >> + 0 0 26 1,-0.2 4,-2.6 38,-0.1 3,-0.9 0.184 24.9 127.3 -83.7 18.3 40.5 9.9 9.6 33 243 A A H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.780 74.4 49.1 -44.5 -42.9 36.9 8.8 10.3 34 244 A A H 3> S+ 0 0 0 -3,-0.4 4,-3.1 433,-0.4 -1,-0.3 0.867 111.1 50.9 -68.1 -39.5 36.0 12.0 12.1 35 245 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.908 111.4 47.8 -64.3 -40.3 37.4 14.0 9.2 36 246 A F H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.936 115.7 45.6 -62.3 -46.3 35.3 11.9 6.8 37 247 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.949 114.6 45.4 -64.4 -48.0 32.2 12.4 8.9 38 248 A M H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.883 111.6 54.3 -62.4 -37.1 32.6 16.1 9.5 39 249 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 12,-0.3 0.919 110.9 44.7 -64.7 -41.7 33.4 16.6 5.7 40 250 A A H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -18,-0.3 0.904 115.3 47.5 -71.5 -35.4 30.2 14.9 4.7 41 251 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.905 114.7 44.0 -72.1 -44.7 28.1 16.7 7.2 42 252 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.876 111.2 55.1 -68.1 -35.9 29.6 20.1 6.4 43 253 A N H X>S+ 0 0 6 -4,-2.5 5,-2.3 -5,-0.3 4,-0.5 0.903 113.1 44.9 -61.5 -39.2 29.3 19.4 2.6 44 254 A A H <5S+ 0 0 0 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.965 118.9 37.8 -70.0 -51.9 25.6 18.7 3.2 45 255 A T H <5S+ 0 0 20 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 122.3 42.8 -76.7 -25.4 24.8 21.6 5.5 46 256 A K H <5S- 0 0 84 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.505 107.2-129.2 -89.8 -9.2 26.9 24.2 3.7 47 257 A N T <5 + 0 0 91 -4,-0.5 2,-0.3 -3,-0.5 -3,-0.2 0.974 67.7 106.5 57.6 59.1 25.7 22.7 0.3 48 258 A T < - 0 0 41 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.851 67.3-136.7-150.9-178.9 29.2 22.3 -1.1 49 259 A D S S+ 0 0 106 -2,-0.3 -6,-0.1 -3,-0.1 -5,-0.1 0.265 74.0 100.3-133.3 13.2 31.8 19.8 -2.0 50 260 A T + 0 0 92 -7,-0.1 2,-0.3 2,-0.0 -11,-0.0 0.623 59.5 87.9 -80.7 -17.7 34.9 21.4 -0.8 51 261 A Y + 0 0 33 -12,-0.3 2,-0.3 -13,-0.1 3,-0.1 -0.618 50.6 165.1 -80.8 143.8 35.3 19.6 2.5 52 262 A N > - 0 0 43 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.989 44.9-112.9-153.9 152.4 37.3 16.4 2.5 53 263 A A H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.888 111.5 52.5 -51.4 -49.7 38.8 14.2 5.2 54 264 A H H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 111.0 46.0 -57.1 -48.6 42.4 14.7 4.2 55 265 A D H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 112.7 50.7 -66.7 -35.4 42.2 18.5 4.3 56 266 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.938 112.0 47.1 -63.2 -49.1 40.3 18.5 7.6 57 267 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.885 109.8 53.3 -60.8 -38.8 43.0 16.2 9.1 58 268 A R H < S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.882 107.4 51.5 -64.2 -37.2 45.8 18.4 7.8 59 269 A T H < S+ 0 0 91 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.4 45.1 -67.3 -36.1 44.2 21.5 9.4 60 270 A L H < S+ 0 0 30 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.788 124.9 32.5 -77.2 -22.5 44.0 19.6 12.7 61 271 A Y S >< S+ 0 0 47 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 -0.578 70.7 161.7-131.6 61.2 47.6 18.3 12.3 62 272 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.673 75.1 44.7 -59.2 -26.6 49.5 21.1 10.4 63 273 A E T 3 S+ 0 0 190 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.485 85.4 107.5-100.0 -4.6 53.0 19.9 11.4 64 274 A V S < S- 0 0 39 -3,-1.0 5,-0.1 -6,-0.2 -3,-0.1 -0.505 75.8-107.9 -74.6 138.8 52.6 16.2 10.9 65 275 A S > - 0 0 54 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.254 23.9-117.6 -61.1 153.6 54.5 14.7 7.8 66 276 A E T 4 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.818 117.8 55.4 -60.7 -31.3 52.3 13.6 4.9 67 277 A Q T 4 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.843 112.9 39.0 -70.9 -37.8 53.7 10.1 5.6 68 278 A D T >4 S+ 0 0 92 -3,-0.4 3,-1.3 1,-0.2 -2,-0.2 0.651 93.7 86.9 -88.2 -11.9 52.5 10.1 9.2 69 279 A L G >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.3 -38,-0.2 0.816 76.8 64.5 -59.7 -41.6 49.2 11.9 8.7 70 280 A P G 3 S+ 0 0 36 0, 0.0 -39,-2.7 0, 0.0 -1,-0.3 0.781 100.3 55.1 -52.4 -30.3 47.1 8.7 7.9 71 281 A N G < S+ 0 0 55 -3,-1.3 2,-0.4 -41,-0.2 -2,-0.2 0.402 82.7 105.5 -88.5 9.5 47.7 7.5 11.4 72 282 A C < - 0 0 19 -3,-2.3 -41,-0.2 -4,-0.1 2,-0.1 -0.734 49.8-170.8 -90.8 130.5 46.4 10.6 13.1 73 283 A A - 0 0 6 -2,-0.4 2,-0.4 -41,-0.1 395,-0.2 -0.381 23.9 -99.9-104.9-170.0 43.0 10.2 14.7 74 284 A T B -H 467 0B 0 393,-1.9 393,-2.1 -43,-0.3 389,-0.1 -0.927 19.2-143.5-124.0 135.0 40.7 12.9 16.2 75 285 A F >> - 0 0 90 -2,-0.4 4,-1.7 391,-0.2 3,-0.7 -0.637 29.8-114.7 -85.9 152.2 40.1 14.1 19.8 76 286 A P H 3> S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.908 116.6 54.7 -51.8 -41.5 36.6 15.2 20.9 77 287 A N H 3> S+ 0 0 118 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.840 105.3 53.4 -67.8 -28.3 37.9 18.7 21.5 78 288 A Q H <> S+ 0 0 37 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.843 104.6 55.2 -71.0 -33.6 39.2 18.9 17.9 79 289 A M H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.925 113.4 42.0 -65.0 -40.1 35.8 17.9 16.6 80 290 A I H X S+ 0 0 31 -4,-1.8 4,-2.4 2,-0.2 10,-0.4 0.938 116.3 46.1 -69.3 -49.7 34.3 20.8 18.5 81 291 A E H X S+ 0 0 106 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.895 112.6 51.3 -63.1 -41.5 36.9 23.3 17.7 82 292 A Y H X S+ 0 0 16 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.941 110.5 48.2 -63.9 -45.0 37.0 22.3 14.0 83 293 A G H ><>S+ 0 0 0 -4,-1.8 5,-2.0 -5,-0.3 3,-1.1 0.916 111.4 50.2 -60.4 -42.8 33.2 22.7 13.7 84 294 A K H ><5S+ 0 0 95 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.893 103.4 59.8 -60.5 -41.9 33.3 26.0 15.4 85 295 A S H 3<5S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.728 106.1 49.3 -59.3 -22.6 36.0 27.2 13.0 86 296 A Q T <<5S- 0 0 53 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.224 130.6 -93.4-102.7 12.0 33.5 26.5 10.2 87 297 A G T < 5S+ 0 0 57 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.785 85.3 127.7 83.7 32.7 30.8 28.5 11.8 88 298 A R < - 0 0 60 -5,-2.0 2,-1.6 -8,-0.1 -1,-0.2 -0.978 55.9-140.6-125.3 123.2 29.0 25.6 13.7 89 299 A D - 0 0 114 -2,-0.4 2,-0.2 93,-0.2 -9,-0.1 -0.600 31.0-162.9 -83.9 82.4 28.3 25.7 17.4 90 300 A I - 0 0 6 -2,-1.6 2,-0.4 -10,-0.4 92,-0.2 -0.501 11.5-178.0 -74.5 136.9 29.1 22.1 18.1 91 301 A H E -B 181 0A 112 90,-2.4 90,-3.0 -2,-0.2 2,-0.4 -0.988 22.1-130.0-133.4 139.3 27.8 20.5 21.4 92 302 A Y E -B 180 0A 98 -2,-0.4 2,-0.4 88,-0.2 88,-0.2 -0.714 21.0-171.6 -86.5 140.1 28.5 17.1 22.7 93 303 A Q E -B 179 0A 64 86,-2.6 86,-2.1 -2,-0.4 2,-0.1 -0.990 20.4-130.4-133.0 123.2 25.5 15.0 23.9 94 304 A E E +B 178 0A 162 -2,-0.4 84,-0.3 84,-0.2 2,-0.1 -0.433 68.1 10.7 -72.8 145.5 26.0 11.7 25.7 95 305 A G S S- 0 0 26 82,-3.1 -2,-0.1 -2,-0.1 82,-0.1 -0.260 105.3 -37.3 85.1-171.0 24.1 8.6 24.5 96 306 A V - 0 0 44 81,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.804 61.9-121.3 -91.9 131.4 22.0 8.0 21.4 97 307 A P - 0 0 1 0, 0.0 -2,-0.1 0, 0.0 81,-0.0 -0.452 34.8-104.8 -69.1 147.3 19.8 11.0 20.3 98 308 A S > - 0 0 66 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.265 23.0-114.1 -65.2 158.2 16.1 10.3 20.2 99 309 A Y H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 118.8 51.2 -55.6 -47.1 14.2 9.7 16.9 100 310 A N H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 109.4 48.8 -62.6 -36.9 12.3 12.9 17.5 101 311 A Q H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.923 112.7 47.8 -69.6 -42.2 15.4 14.9 18.2 102 312 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.918 110.8 52.8 -62.6 -39.6 17.1 13.5 15.0 103 313 A D H X S+ 0 0 21 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.948 113.3 42.8 -64.5 -45.0 13.9 14.3 13.0 104 314 A Q H X S+ 0 0 123 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 115.5 47.9 -66.4 -49.7 13.9 17.9 14.2 105 315 A L H <>S+ 0 0 30 -4,-3.0 5,-2.7 2,-0.2 -1,-0.2 0.888 112.2 50.4 -57.4 -41.0 17.7 18.4 13.8 106 316 A T H ><5S+ 0 0 5 -4,-2.7 3,-1.8 -5,-0.2 -87,-0.4 0.935 109.5 49.1 -68.9 -42.2 17.6 16.9 10.3 107 317 A K H 3<5S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.827 110.7 52.7 -66.5 -26.9 14.6 19.2 9.2 108 318 A D T 3<5S- 0 0 118 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.325 117.1-117.7 -87.2 8.3 16.6 22.1 10.6 109 319 A N T < 5 + 0 0 40 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.896 64.0 146.9 53.6 49.8 19.7 21.0 8.5 110 320 A V < - 0 0 39 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.968 40.3-136.1-114.8 126.0 21.8 20.4 11.5 111 321 A G - 0 0 0 -2,-0.4 71,-2.6 -70,-0.1 72,-1.8 -0.575 12.2-158.6 -86.4 147.7 24.4 17.6 11.3 112 322 A I E -C 181 0A 2 22,-0.4 22,-2.9 -2,-0.2 2,-0.5 -0.987 2.4-156.7-128.3 127.6 25.2 15.0 13.9 113 323 A M E -CD 180 133A 0 67,-2.5 67,-2.5 -2,-0.4 2,-0.4 -0.904 16.9-134.9-104.1 131.0 28.4 13.0 14.1 114 324 A I E -CD 179 132A 0 18,-2.2 18,-1.8 -2,-0.5 2,-0.6 -0.657 9.6-157.5 -82.3 131.8 28.3 9.6 16.0 115 325 A L E -CD 178 131A 1 63,-3.0 62,-1.8 -2,-0.4 63,-1.6 -0.968 22.2-178.4-108.0 121.4 31.1 8.8 18.4 116 326 A A E -CD 176 130A 0 14,-2.8 14,-2.5 -2,-0.6 2,-0.4 -0.845 14.6-167.0-124.5 153.3 31.3 5.0 18.9 117 327 A Q E -CD 175 129A 66 58,-2.2 58,-3.2 -2,-0.3 12,-0.2 -0.998 19.7-126.6-142.6 135.4 33.4 2.8 20.9 118 328 A S - 0 0 17 10,-2.6 2,-0.6 -2,-0.4 56,-0.2 -0.207 33.2-106.8 -72.5 168.0 34.0 -1.0 20.8 119 329 A V - 0 0 92 54,-0.4 54,-0.1 8,-0.1 2,-0.1 -0.918 28.5-135.4-108.4 120.7 33.5 -3.2 23.9 120 330 A S - 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