==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-NOV-09 3KME . COMPND 2 MOLECULE: TNF-ALPHA-CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 508 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 3 0.6 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 . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 1 0 1 1 0 0 0 1 0 0 0 2 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 3 2 2 2 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 . 4 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 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 1 218 A P 0 0 67 0, 0.0 5,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.3 19.5 31.5 40.7 2 219 A D > - 0 0 51 3,-0.3 3,-1.6 1,-0.1 0, 0.0 -0.879 360.0-160.2 -95.7 110.9 16.8 34.0 41.8 3 220 A P G > S+ 0 0 87 0, 0.0 250,-0.7 0, 0.0 3,-0.5 0.739 93.4 58.3 -65.1 -19.2 15.0 32.4 44.8 4 221 A M G 3 S+ 0 0 104 1,-0.2 248,-0.3 248,-0.2 3,-0.1 0.582 116.7 33.6 -80.5 -14.4 12.1 34.8 44.1 5 222 A K G < S+ 0 0 72 -3,-1.6 -3,-0.3 246,-0.1 -1,-0.2 -0.427 84.4 105.0-139.9 59.5 11.7 33.3 40.5 6 223 A N < + 0 0 26 245,-1.0 53,-1.9 -3,-0.5 2,-0.4 0.351 62.0 79.1-120.6 2.7 12.7 29.6 40.8 7 224 A T E -aB 59 251A 0 244,-2.1 244,-2.7 51,-0.2 2,-0.8 -0.969 60.0-149.9-124.9 127.3 9.2 27.9 40.6 8 225 A a E -a 60 0A 0 51,-3.0 53,-1.7 -2,-0.4 2,-0.3 -0.823 25.7-145.7 -91.9 108.3 7.0 27.1 37.6 9 226 A K E -a 61 0A 19 -2,-0.8 108,-1.6 240,-0.4 107,-0.8 -0.651 16.8-146.7 -78.2 136.1 3.4 27.3 39.0 10 227 A L E -ac 62 117A 0 51,-2.8 53,-2.9 -2,-0.3 54,-1.5 -0.856 20.9-150.4-110.6 144.0 1.0 24.8 37.4 11 228 A L E -ac 64 118A 1 106,-2.6 108,-2.9 -2,-0.4 2,-0.5 -0.928 29.0-163.3 -98.9 116.0 -2.7 24.6 36.5 12 229 A V E -ac 65 119A 0 52,-2.9 54,-2.7 -2,-0.7 2,-0.5 -0.908 2.9-163.3-103.9 128.9 -3.4 20.9 36.8 13 230 A V E -ac 66 120A 0 106,-2.9 108,-3.4 -2,-0.5 2,-0.6 -0.964 9.1-164.8-119.8 126.1 -6.6 19.6 35.2 14 231 A A E -ac 67 121A 0 52,-2.9 54,-2.8 -2,-0.5 108,-0.2 -0.926 18.9-150.8-104.0 114.1 -8.2 16.2 35.9 15 232 A D > - 0 0 0 106,-2.1 4,-2.7 -2,-0.6 5,-0.1 -0.232 33.2 -93.7 -75.6 178.0 -10.8 15.3 33.2 16 233 A H H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.813 126.3 55.4 -60.7 -33.9 -13.9 13.2 33.8 17 234 A R H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.938 111.3 43.7 -63.9 -47.0 -12.0 10.0 32.7 18 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.5 2,-0.2 5,-2.4 0.932 113.5 52.0 -63.3 -46.8 -9.3 10.7 35.4 19 236 A Y H <5S+ 0 0 29 -4,-2.7 6,-2.2 49,-0.3 7,-0.5 0.912 116.5 39.3 -55.5 -47.4 -12.0 11.6 38.0 20 237 A R H <5S+ 0 0 164 -4,-2.6 4,-0.3 4,-0.2 -2,-0.2 0.941 128.1 28.4 -68.9 -55.0 -13.9 8.3 37.3 21 238 A Y H <5S+ 0 0 117 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.795 135.0 24.6 -84.8 -32.3 -11.0 5.8 36.9 22 239 A M T <5S+ 0 0 25 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.808 128.9 42.6 -98.7 -43.3 -8.2 7.3 39.0 23 240 A G S > - 0 0 105 -3,-1.7 4,-1.9 -7,-0.5 -1,-0.2 -0.988 58.4-151.1-127.6 134.1 -14.0 11.1 44.6 27 244 A E H > S+ 0 0 95 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.882 99.6 52.1 -66.1 -44.2 -12.4 14.6 44.7 28 245 A S H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.938 112.0 46.3 -59.7 -46.0 -10.1 13.8 47.7 29 246 A T H > S+ 0 0 53 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.890 114.5 48.8 -62.2 -43.0 -8.8 10.7 45.9 30 247 A T H X S+ 0 0 0 -4,-1.9 4,-1.7 -7,-0.3 -2,-0.2 0.940 115.9 41.4 -61.6 -53.4 -8.3 12.7 42.7 31 248 A T H X S+ 0 0 22 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.915 112.4 53.3 -64.8 -45.1 -6.5 15.6 44.3 32 249 A N H X S+ 0 0 89 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.904 108.3 51.6 -56.7 -45.7 -4.3 13.5 46.7 33 250 A Y H X S+ 0 0 38 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.928 115.5 41.7 -54.5 -51.0 -3.0 11.4 43.7 34 251 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.871 112.4 51.9 -66.9 -43.3 -2.1 14.6 41.8 35 252 A I H X S+ 0 0 89 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.935 114.7 44.4 -59.3 -48.0 -0.5 16.5 44.7 36 253 A E H X S+ 0 0 116 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.903 113.6 49.3 -65.4 -44.6 1.7 13.4 45.5 37 254 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.957 113.3 46.1 -60.5 -53.4 2.7 12.9 41.8 38 255 A I H X S+ 0 0 5 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.887 111.5 52.7 -57.8 -40.2 3.6 16.6 41.3 39 256 A D H X S+ 0 0 87 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.902 110.5 46.2 -64.5 -40.7 5.6 16.7 44.6 40 257 A R H X S+ 0 0 72 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.903 114.5 48.7 -68.8 -37.0 7.7 13.5 43.6 41 258 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.924 107.6 55.3 -63.5 -45.1 8.2 15.1 40.1 42 259 A D H X S+ 0 0 4 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.879 101.1 59.0 -55.7 -41.6 9.2 18.4 41.9 43 260 A D H X S+ 0 0 57 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.898 105.1 49.6 -54.7 -42.2 11.9 16.4 43.8 44 261 A I H X S+ 0 0 27 -4,-1.2 4,-0.5 -3,-0.4 -2,-0.2 0.972 117.9 39.5 -61.5 -51.9 13.6 15.3 40.5 45 262 A Y H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 13,-0.4 0.923 114.2 50.7 -61.5 -54.3 13.6 18.9 39.2 46 263 A R H 3< S+ 0 0 67 -4,-3.2 11,-2.1 1,-0.3 12,-0.2 0.840 112.6 47.8 -56.8 -38.4 14.5 20.7 42.4 47 264 A N H 3< S+ 0 0 113 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.3 0.537 89.1 104.6 -82.5 -8.3 17.5 18.4 43.0 48 265 A T << - 0 0 16 -3,-1.4 2,-0.9 -4,-0.5 10,-0.4 -0.628 62.1-149.9 -79.8 127.4 18.8 18.7 39.4 49 266 A A > - 0 0 19 -2,-0.4 3,-1.4 1,-0.2 7,-0.2 -0.881 9.8-163.7 -94.1 101.6 21.9 21.0 39.0 50 267 A W T 3 S+ 0 0 3 5,-2.5 189,-0.3 -2,-0.9 -1,-0.2 0.784 92.0 33.6 -59.4 -29.9 21.3 22.3 35.4 51 268 A D T 3 S- 0 0 58 4,-0.3 -1,-0.3 188,-0.1 3,-0.1 0.173 117.2-110.6-106.8 8.5 24.9 23.5 35.0 52 269 A N S < S+ 0 0 92 -3,-1.4 -2,-0.1 3,-0.2 4,-0.1 0.644 100.2 61.7 65.0 20.7 26.3 20.5 37.2 53 270 A A S S- 0 0 48 2,-0.1 -1,-0.2 375,-0.0 375,-0.0 0.082 118.2 -31.3-133.5-113.7 27.1 23.1 39.9 54 271 A G S S+ 0 0 48 -3,-0.1 2,-2.2 1,-0.1 -4,-0.0 0.389 95.4 106.7-100.0 -0.5 24.9 25.5 41.9 55 272 A F + 0 0 25 2,-0.0 -5,-2.5 -54,-0.0 -4,-0.3 -0.522 60.1 109.5 -81.3 74.5 22.2 26.2 39.4 56 273 A K + 0 0 120 -2,-2.2 -9,-0.2 -7,-0.2 -7,-0.1 -0.808 26.5 77.9-136.5 176.9 19.7 24.0 41.2 57 274 A G + 0 0 23 -11,-2.1 2,-0.4 1,-0.3 -11,-0.2 0.560 60.8 136.4 90.4 10.3 16.5 24.5 43.3 58 275 A Y + 0 0 8 -13,-0.4 -1,-0.3 -10,-0.4 -10,-0.3 -0.802 28.1 133.9 -91.3 132.5 14.3 25.1 40.2 59 276 A G E -a 7 0A 0 -53,-1.9 -51,-3.0 -2,-0.4 2,-0.3 -0.725 45.7 -92.1-154.3-160.9 11.0 23.3 40.4 60 277 A I E -a 8 0A 1 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.965 24.4-178.8-132.8 148.5 7.2 23.1 40.0 61 278 A Q E -a 9 0A 36 -53,-1.7 -51,-2.8 -2,-0.3 2,-0.4 -0.992 32.5-109.6-146.4 148.7 4.2 23.6 42.3 62 279 A I E +a 10 0A 47 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.639 27.9 176.5 -79.5 127.7 0.5 23.3 41.8 63 280 A E E S- 0 0 93 -53,-2.9 2,-0.3 1,-0.4 -52,-0.2 0.722 73.0 -1.3 -91.9 -39.4 -1.4 26.6 41.9 64 281 A Q E -a 11 0A 83 -54,-1.5 -52,-2.9 2,-0.0 2,-0.5 -0.972 54.0-150.5-156.3 141.3 -4.8 25.1 41.1 65 282 A I E -a 12 0A 33 -2,-0.3 2,-0.5 -54,-0.2 -52,-0.2 -0.980 15.3-158.4-112.9 116.3 -6.4 21.7 40.4 66 283 A R E -a 13 0A 68 -54,-2.7 -52,-2.9 -2,-0.5 2,-0.6 -0.820 8.5-159.0 -92.1 130.5 -9.5 21.8 38.2 67 284 A I E -a 14 0A 38 -2,-0.5 2,-0.9 -54,-0.2 -52,-0.2 -0.952 5.5-162.0-117.4 110.3 -11.6 18.7 38.7 68 285 A L - 0 0 36 -54,-2.8 -49,-0.3 -2,-0.6 -50,-0.1 -0.833 9.9-179.4 -95.8 99.4 -14.0 17.9 35.9 69 286 A K + 0 0 113 -2,-0.9 -1,-0.2 -50,-0.1 -54,-0.0 0.804 64.8 25.1 -69.6 -32.9 -16.6 15.5 37.5 70 287 A S S S- 0 0 80 1,-0.1 -54,-0.2 -51,-0.0 -53,-0.1 -0.864 94.8 -82.7-131.1 160.7 -18.7 14.9 34.4 71 288 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.279 49.3-106.0 -62.3 152.5 -18.3 15.0 30.6 72 289 A Q - 0 0 85 10,-1.9 12,-0.5 8,-0.1 2,-0.2 -0.720 32.2-125.8 -80.5 124.3 -18.6 18.4 28.9 73 290 A E - 0 0 179 -2,-0.5 2,-0.3 10,-0.1 9,-0.1 -0.513 33.4-168.2 -70.5 130.3 -21.9 18.7 27.0 74 291 A V - 0 0 58 -2,-0.2 3,-0.1 4,-0.1 5,-0.1 -0.943 19.7-124.0-125.7 150.2 -21.2 19.6 23.3 75 292 A K > - 0 0 151 -2,-0.3 3,-2.3 1,-0.2 0, 0.0 -0.466 56.0 -71.0 -82.1 158.7 -23.4 20.9 20.4 76 293 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.282 124.7 13.0 -57.2 135.9 -23.3 18.8 17.1 77 294 A G T 3 S+ 0 0 92 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.285 104.4 115.6 80.6 -9.1 -20.0 19.3 15.3 78 295 A E < - 0 0 91 -3,-2.3 2,-0.3 2,-0.0 -1,-0.2 -0.755 46.4-165.9 -95.3 137.4 -18.5 20.9 18.4 79 296 A K - 0 0 66 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.852 9.4-179.8-120.3 156.0 -15.6 19.2 20.3 80 297 A H > - 0 0 31 -2,-0.3 3,-2.1 -8,-0.1 24,-0.1 -0.961 38.0-120.4-152.1 143.1 -14.1 19.8 23.8 81 298 A Y T 3 S+ 0 0 6 -2,-0.3 23,-0.1 1,-0.3 14,-0.1 0.748 116.2 47.2 -58.8 -26.3 -11.2 18.0 25.5 82 299 A N T 3 S+ 0 0 3 -67,-0.1 -10,-1.9 -66,-0.1 -1,-0.3 0.293 84.1 124.5 -98.7 7.9 -13.5 16.9 28.3 83 300 A M S < S- 0 0 14 -3,-2.1 -10,-0.1 -12,-0.3 -67,-0.0 -0.214 71.6-115.3 -63.8 161.2 -16.4 15.7 26.0 84 301 A A S S+ 0 0 66 -12,-0.5 2,-0.1 2,-0.1 -1,-0.1 0.884 91.8 69.6 -65.6 -41.0 -17.6 12.0 26.5 85 302 A K S S- 0 0 49 1,-0.1 2,-0.2 9,-0.0 -2,-0.1 -0.463 81.7-119.0 -86.4 151.5 -16.5 10.8 23.1 86 303 A S - 0 0 11 4,-0.3 9,-0.1 6,-0.3 8,-0.1 -0.549 40.1-107.6 -80.2 153.0 -13.0 10.3 21.7 87 304 A Y S S+ 0 0 85 -2,-0.2 9,-2.0 1,-0.1 13,-0.1 -0.993 85.8 3.5-135.2 135.9 -11.9 12.3 18.6 88 305 A P S S+ 0 0 79 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.999 136.9 34.2 -86.7 -10.6 -11.4 11.7 15.6 89 306 A N > - 0 0 82 5,-0.3 3,-1.7 1,-0.1 -2,-0.1 -0.891 60.3-171.3-113.1 104.2 -12.6 8.0 16.0 90 307 A E T 3 S+ 0 0 73 -2,-0.7 -4,-0.3 1,-0.3 -1,-0.1 0.690 83.7 68.5 -62.4 -23.7 -15.4 7.6 18.6 91 308 A E T 3 S+ 0 0 98 -6,-0.1 -1,-0.3 -5,-0.0 2,-0.3 0.553 89.7 84.2 -73.5 -9.1 -15.1 3.8 18.4 92 309 A K S < S- 0 0 72 -3,-1.7 -6,-0.3 2,-0.1 34,-0.1 -0.667 82.5-129.5 -96.5 152.5 -11.6 4.1 20.1 93 310 A D S S+ 0 0 72 -2,-0.3 2,-0.3 32,-0.2 33,-0.1 0.851 90.3 37.6 -63.3 -34.0 -10.9 4.3 23.8 94 311 A A S S- 0 0 9 31,-0.5 -5,-0.3 30,-0.1 -2,-0.1 -0.841 78.4-112.5-124.0 160.7 -8.8 7.4 23.2 95 312 A W - 0 0 6 -2,-0.3 2,-0.4 1,-0.1 32,-0.3 -0.276 53.1 -87.4 -70.5 166.0 -8.4 10.6 21.2 96 313 A D > - 0 0 75 -9,-2.0 4,-2.2 1,-0.1 5,-0.1 -0.675 47.3-131.0 -70.0 125.6 -5.5 11.0 18.7 97 314 A V H > S+ 0 0 25 -2,-0.4 4,-2.2 2,-0.2 5,-0.2 0.878 101.8 49.3 -55.3 -44.4 -2.9 12.4 21.2 98 315 A K H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 112.3 48.6 -63.6 -43.1 -1.8 15.4 19.1 99 316 A M H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 110.4 52.7 -64.8 -37.6 -5.4 16.5 18.5 100 317 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.919 109.3 47.4 -63.9 -46.1 -6.2 16.1 22.2 101 318 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 113.7 48.4 -62.1 -43.5 -3.3 18.4 23.2 102 319 A E H X S+ 0 0 74 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 114.4 46.6 -59.4 -44.2 -4.3 21.0 20.6 103 320 A Q H X S+ 0 0 17 -4,-2.6 4,-2.8 2,-0.2 -22,-0.3 0.931 111.4 50.4 -65.7 -46.3 -8.0 20.8 21.9 104 321 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.942 111.4 49.4 -55.0 -49.7 -6.9 21.1 25.5 105 322 A S H X S+ 0 0 1 -4,-2.6 4,-0.5 2,-0.2 54,-0.4 0.902 111.9 49.1 -57.4 -43.2 -4.8 24.2 24.6 106 323 A F H >< S+ 0 0 61 -4,-2.3 3,-1.1 1,-0.2 4,-0.2 0.967 115.9 41.3 -62.0 -54.1 -7.8 25.7 22.8 107 324 A D H 3< S+ 0 0 35 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.791 118.8 44.6 -64.5 -35.0 -10.3 25.2 25.6 108 325 A I H 3X S+ 0 0 2 -4,-2.5 4,-3.0 -5,-0.2 3,-0.3 0.338 79.4 115.3 -92.9 5.8 -7.9 26.1 28.5 109 326 A A H 4 S+ 0 0 53 -3,-0.3 3,-1.6 1,-0.2 4,-0.2 0.892 112.0 56.9 -69.1 -40.8 -6.6 30.0 32.3 112 329 A A H >< S+ 0 0 1 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.818 96.4 64.5 -62.7 -32.3 -3.2 29.0 30.5 113 330 A S T 3< S+ 0 0 38 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.695 102.7 49.7 -63.4 -19.5 -2.4 32.7 29.9 114 331 A K T < S+ 0 0 125 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.367 106.2 60.5-101.0 -0.9 -2.2 33.2 33.7 115 332 A V S < S- 0 0 8 -3,-1.3 3,-0.1 -4,-0.2 -105,-0.1 -0.912 78.7-122.5-127.6 159.4 0.1 30.3 34.7 116 333 A a S S- 0 0 4 -107,-0.8 29,-1.8 -2,-0.3 2,-0.3 0.940 97.7 -1.8 -62.7 -47.5 3.7 29.1 33.9 117 334 A L E -c 10 0A 0 -108,-1.6 -106,-2.6 27,-0.2 2,-0.4 -0.994 57.4-151.2-143.8 150.8 2.2 25.7 32.6 118 335 A A E -cd 11 162A 0 43,-2.7 45,-1.0 -2,-0.3 2,-0.4 -0.977 19.4-168.3-117.3 134.7 -1.1 23.9 32.3 119 336 A H E -cd 12 163A 0 -108,-2.9 -106,-2.9 -2,-0.4 2,-0.5 -0.989 10.2-148.9-129.9 127.6 -1.1 20.1 32.4 120 337 A L E -cd 13 164A 0 43,-2.8 45,-2.5 -2,-0.4 2,-0.5 -0.808 6.6-162.4 -92.4 132.3 -4.0 17.7 31.6 121 338 A F E +cd 14 165A 0 -108,-3.4 -106,-2.1 -2,-0.5 -103,-0.3 -0.962 23.9 163.0-112.9 123.1 -4.3 14.4 33.4 122 339 A T E - 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0 0 0 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.507 35.1-156.4 -78.4 140.6 14.5 19.2 26.5 194 414 A E - 0 0 91 -2,-0.2 -56,-0.1 1,-0.2 43,-0.1 -0.479 43.0 -67.6 -98.6 176.2 14.3 17.1 23.4 195 415 A H - 0 0 77 -58,-0.3 21,-0.2 -2,-0.2 -1,-0.2 -0.396 53.6-108.2 -66.7 142.9 14.5 13.3 23.3 196 416 A D - 0 0 4 19,-1.2 2,-0.3 17,-0.1 -1,-0.1 -0.597 38.0-134.0 -69.0 127.7 17.9 11.8 24.3 197 417 A P > - 0 0 57 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.656 8.4-134.1 -89.2 146.4 19.5 10.3 21.1 198 418 A D T 3 S+ 0 0 117 -2,-0.3 6,-0.2 1,-0.3 5,-0.0 0.812 102.5 72.4 -59.2 -32.6 21.1 6.8 20.9 199 419 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.471 89.4 62.8 -62.5 -7.8 24.1 8.5 19.0 200 420 A L X> - 0 0 93 -3,-1.5 4,-1.2 1,-0.1 3,-1.1 -0.899 65.6-170.8-125.4 93.1 25.2 10.1 22.3 201 421 A A T 34 S+ 0 0 76 -2,-0.5 3,-0.2 1,-0.3 -1,-0.1 0.813 85.8 60.9 -53.2 -37.3 26.2 7.3 24.8 202 422 A E T 34 S+ 0 0 132 1,-0.2 30,-0.3 2,-0.1 -1,-0.3 0.835 113.4 37.4 -57.7 -37.0 26.6 9.9 27.7 203 423 A c T <4 S+ 0 0 0 -3,-1.1 10,-0.6 1,-0.2 -2,-0.2 0.578 126.7 35.3 -95.2 -12.9 22.8 10.8 27.2 204 424 A A S < S- 0 0 7 -4,-1.2 -1,-0.2 -3,-0.2 8,-0.2 -0.517 82.7-173.9-138.4 67.3 21.5 7.2 26.4 205 425 A P - 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