==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-FEB-07 2JGY . COMPND 2 MOLECULE: UMP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MOCHE,D.OGG,C.ARROWSMITH,H.BERGLUND,R.BUSAM,R.COLLINS, . 494 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 15.2 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 . 1 0.2 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 . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 3 1 1 0 0 2 2 2 2 2 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 8 6 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 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 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 1 222 A S 0 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.1 38.9 12.1 -13.8 2 223 A M - 0 0 151 0, 0.0 248,-0.1 0, 0.0 2,-0.0 -0.989 360.0 -45.5-178.2 178.2 40.5 11.1 -10.4 3 224 A E - 0 0 82 247,-0.3 2,-0.4 -2,-0.3 247,-0.0 -0.250 53.6-118.8 -68.8 149.0 42.4 11.7 -7.2 4 225 A L - 0 0 70 1,-0.0 2,-0.1 4,-0.0 -1,-0.1 -0.729 20.0-130.7 -93.8 138.2 45.6 13.7 -7.2 5 226 A S > - 0 0 38 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.371 29.3-106.6 -74.4 166.8 48.9 12.3 -6.1 6 227 A F H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.913 122.4 53.0 -60.5 -41.6 51.1 14.1 -3.7 7 228 A G H 4 S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.838 108.3 49.2 -62.2 -37.1 53.5 15.1 -6.5 8 229 A A H >4 S+ 0 0 29 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.894 110.3 51.1 -69.6 -40.8 50.6 16.5 -8.6 9 230 A R H >< S+ 0 0 15 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.869 100.9 62.7 -64.0 -35.2 49.4 18.5 -5.6 10 231 A A T 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.707 103.1 51.7 -63.4 -20.8 53.0 19.9 -5.1 11 232 A E T < S+ 0 0 146 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.348 78.1 127.3 -97.0 3.1 52.6 21.5 -8.6 12 233 A L X - 0 0 37 -3,-1.8 3,-1.6 -4,-0.1 8,-0.1 -0.340 67.1-124.0 -63.1 142.0 49.3 23.3 -8.0 13 234 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.831 109.3 40.4 -56.9 -35.1 49.5 27.0 -8.8 14 235 A R T 3 S+ 0 0 165 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.238 85.1 132.8 -99.2 11.3 48.3 28.1 -5.3 15 236 A I < - 0 0 28 -3,-1.6 176,-0.1 -6,-0.1 175,-0.1 -0.344 60.9-118.5 -63.9 139.3 50.3 25.6 -3.4 16 237 A H > - 0 0 17 174,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.613 21.6-123.7 -74.1 138.6 52.3 26.9 -0.4 17 238 A P H > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.844 112.5 49.1 -52.0 -38.4 56.1 26.4 -0.8 18 239 A V H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 111.4 49.8 -69.7 -40.6 56.3 24.5 2.5 19 240 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.916 111.1 49.6 -58.8 -44.6 53.4 22.3 1.4 20 241 A S H X S+ 0 0 12 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.932 110.6 49.4 -62.6 -44.6 55.0 21.7 -1.9 21 242 A K H X S+ 0 0 106 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.932 113.6 46.9 -59.0 -46.3 58.3 20.7 -0.3 22 243 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 111.6 50.2 -61.0 -50.0 56.6 18.4 2.1 23 244 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.872 110.3 50.1 -57.0 -43.1 54.5 16.8 -0.7 24 245 A R H X S+ 0 0 134 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.867 110.9 49.4 -65.4 -38.1 57.5 16.1 -2.8 25 246 A L H X S+ 0 0 23 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.901 110.0 51.1 -66.4 -41.5 59.4 14.5 0.1 26 247 A M H X>S+ 0 0 0 -4,-2.4 5,-1.4 2,-0.2 4,-0.9 0.930 113.8 44.8 -58.7 -43.8 56.4 12.3 0.8 27 248 A Q H <5S+ 0 0 62 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.943 115.7 46.8 -67.6 -46.1 56.3 11.2 -2.8 28 249 A K H <5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.893 122.1 33.1 -62.1 -46.7 60.1 10.7 -3.0 29 250 A K H <5S- 0 0 29 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.418 102.0-126.8 -92.9 -1.5 60.4 8.7 0.2 30 251 A E T <5 + 0 0 99 -4,-0.9 2,-0.4 -3,-0.4 213,-0.2 0.935 63.1 136.1 49.8 55.3 57.0 7.0 0.0 31 252 A T < + 0 0 0 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.993 41.5 174.8-138.8 140.9 56.1 8.1 3.5 32 253 A N + 0 0 0 -2,-0.4 187,-2.4 23,-0.2 2,-0.4 0.125 49.9 128.0-113.6 7.8 53.0 9.6 5.2 33 254 A L E -a 219 0A 2 22,-0.4 24,-2.7 185,-0.2 25,-1.4 -0.642 37.2-176.3 -93.2 123.8 54.5 9.5 8.7 34 255 A C E -ab 220 58A 0 185,-2.9 187,-2.8 -2,-0.4 2,-0.4 -0.972 23.4-151.4-107.1 111.5 54.8 12.3 11.2 35 256 A L E -ab 221 59A 1 23,-2.4 25,-3.3 -2,-0.6 2,-0.6 -0.740 6.6-136.2 -89.8 128.8 56.7 11.0 14.2 36 257 A S E -ab 222 60A 10 185,-2.8 2,-1.1 -2,-0.4 187,-0.5 -0.747 9.7-159.7 -84.7 119.3 56.1 12.4 17.6 37 258 A A + 0 0 4 23,-2.9 2,-1.7 -2,-0.6 25,-0.5 -0.621 20.7 168.6 -96.4 73.5 59.4 13.0 19.5 38 259 A D + 0 0 45 -2,-1.1 2,-0.3 23,-0.1 23,-0.1 -0.593 28.8 131.5 -90.3 77.2 57.9 13.1 23.0 39 260 A V - 0 0 6 -2,-1.7 23,-0.2 23,-0.1 26,-0.1 -0.865 54.5-144.3-129.5 160.7 61.2 13.0 24.8 40 261 A S S S+ 0 0 36 -2,-0.3 27,-2.8 26,-0.1 28,-0.5 0.579 76.6 56.1-103.5 -14.0 62.9 15.0 27.6 41 262 A L S > S- 0 0 75 25,-0.2 4,-2.0 26,-0.2 3,-0.3 -0.943 74.5-126.1-129.8 147.2 66.6 15.1 26.6 42 263 A A H > S+ 0 0 9 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.868 110.2 56.4 -55.3 -42.3 68.5 16.3 23.6 43 264 A R H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.930 107.7 49.0 -58.8 -44.3 70.3 12.9 23.1 44 265 A E H > S+ 0 0 49 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.920 113.4 47.6 -59.7 -44.8 66.9 11.2 22.9 45 266 A L H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 115.3 42.5 -63.1 -50.6 65.6 13.7 20.4 46 267 A L H X S+ 0 0 24 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.882 114.7 49.8 -68.8 -39.8 68.7 13.6 18.1 47 268 A Q H X S+ 0 0 110 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.887 112.2 48.2 -66.4 -36.8 69.1 9.8 18.2 48 269 A L H X S+ 0 0 13 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.939 112.6 48.9 -66.5 -47.1 65.4 9.3 17.4 49 270 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.851 113.6 46.9 -57.3 -41.0 65.6 11.8 14.5 50 271 A D H < S+ 0 0 87 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.938 117.2 41.8 -69.0 -44.7 68.8 10.1 13.2 51 272 A A H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.882 127.4 28.9 -71.0 -42.9 67.3 6.5 13.4 52 273 A L H >X S+ 0 0 5 -4,-2.7 3,-1.9 -5,-0.2 4,-0.7 0.574 90.8 97.8-102.3 -11.0 63.8 7.2 12.1 53 274 A G G >< S+ 0 0 0 -4,-1.5 3,-1.2 -5,-0.3 -1,-0.1 0.857 80.9 56.2 -41.3 -49.8 64.5 10.2 9.8 54 275 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.776 108.6 48.3 -58.8 -25.1 64.6 8.0 6.7 55 276 A S G <4 S+ 0 0 3 -3,-1.9 -22,-0.4 -4,-0.1 2,-0.2 0.540 105.6 65.1 -92.1 -9.6 61.1 6.6 7.4 56 277 A I << - 0 0 2 -3,-1.2 -22,-0.2 -4,-0.7 3,-0.1 -0.738 55.2-155.3-120.0 158.4 59.3 9.9 8.1 57 278 A C S S+ 0 0 0 -24,-2.7 30,-2.3 1,-0.3 2,-0.3 0.554 87.5 18.0 -97.8 -13.6 58.2 13.1 6.3 58 279 A M E -bc 34 87A 0 -25,-1.4 -23,-2.4 28,-0.3 2,-0.4 -0.995 59.0-147.2-159.5 147.0 58.0 15.1 9.5 59 280 A L E -bc 35 88A 0 28,-2.5 30,-2.9 -2,-0.3 2,-0.6 -0.992 19.1-148.3-121.8 124.2 59.2 15.1 13.1 60 281 A K E -bc 36 89A 12 -25,-3.3 -23,-2.9 -2,-0.4 2,-0.2 -0.843 21.3-171.0 -99.6 120.8 56.9 16.7 15.7 61 282 A T E - c 0 90A 6 28,-2.8 30,-2.6 -2,-0.6 2,-0.2 -0.669 28.4-160.2-109.5 159.9 58.7 18.3 18.6 62 283 A H > + 0 0 8 -25,-0.5 3,-1.9 -2,-0.2 4,-0.3 -0.750 15.2 178.3-130.9 87.2 57.8 19.9 22.0 63 284 A V G > S+ 0 0 5 1,-0.3 3,-1.3 -2,-0.2 6,-0.2 0.783 74.3 70.1 -61.8 -25.3 60.8 22.0 22.7 64 285 A D G 3 S+ 0 0 7 1,-0.3 -1,-0.3 293,-0.1 295,-0.3 0.497 99.1 47.5 -76.9 0.7 59.2 23.2 25.9 65 286 A I G < S+ 0 0 2 -3,-1.9 2,-0.9 292,-0.2 292,-0.6 0.379 82.8 110.3-109.5 2.5 59.6 19.7 27.5 66 287 A L X - 0 0 5 -3,-1.3 3,-1.6 -4,-0.3 292,-0.3 -0.645 54.4-161.7 -82.3 106.4 63.3 19.4 26.5 67 288 A N T 3 S+ 0 0 70 -27,-2.8 -1,-0.2 -2,-0.9 -26,-0.2 0.785 87.5 36.5 -63.4 -28.4 65.1 19.7 29.7 68 289 A D T 3 S+ 0 0 71 -28,-0.5 -1,-0.3 -3,-0.1 5,-0.1 -0.146 82.9 161.6-119.3 38.1 68.5 20.5 28.1 69 290 A F < + 0 0 15 -3,-1.6 2,-0.3 -6,-0.2 3,-0.0 -0.283 2.9 158.9 -50.2 134.2 67.2 22.7 25.2 70 291 A T >> - 0 0 63 40,-0.1 4,-1.4 1,-0.0 3,-0.5 -0.941 52.3-115.2-145.2 160.7 69.8 24.9 23.5 71 292 A L H 3> S+ 0 0 79 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.816 117.3 62.1 -61.4 -29.4 69.7 26.5 20.1 72 293 A D H 3> S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 99.5 53.6 -62.6 -38.4 72.8 24.4 19.2 73 294 A V H <> S+ 0 0 11 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.917 108.7 50.0 -58.8 -43.8 70.6 21.3 19.8 74 295 A M H X S+ 0 0 5 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.892 106.9 53.6 -64.7 -39.6 68.1 22.7 17.3 75 296 A K H X S+ 0 0 131 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 108.5 50.1 -61.8 -39.3 70.9 23.3 14.8 76 297 A E H X S+ 0 0 112 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.880 110.5 50.2 -64.1 -39.4 71.9 19.6 15.1 77 298 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.915 107.9 52.5 -64.7 -44.5 68.3 18.6 14.6 78 299 A I H X S+ 0 0 36 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.891 106.4 53.9 -56.8 -43.4 68.0 20.8 11.5 79 300 A T H X S+ 0 0 67 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.937 110.0 47.3 -57.7 -44.4 71.1 19.1 10.0 80 301 A L H X S+ 0 0 28 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.908 109.4 54.0 -62.3 -40.7 69.4 15.7 10.6 81 302 A A H X>S+ 0 0 7 -4,-2.6 5,-1.9 2,-0.2 4,-1.2 0.889 113.3 42.7 -59.4 -40.3 66.2 17.0 9.0 82 303 A K H <5S+ 0 0 150 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.919 115.8 47.9 -72.5 -45.4 68.2 18.1 5.9 83 304 A C H <5S+ 0 0 93 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.883 125.3 29.1 -62.4 -41.6 70.3 14.9 5.7 84 305 A H H <5S- 0 0 41 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.542 110.3-120.5 -98.8 -11.1 67.3 12.5 6.1 85 306 A E T <5 + 0 0 65 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.999 59.7 128.8 70.3 74.6 64.8 14.8 4.5 86 307 A F < - 0 0 7 -5,-1.9 -28,-0.3 -27,-0.0 -1,-0.2 -0.979 51.6-116.4-146.5 157.4 62.0 15.6 6.9 87 308 A L E -c 58 0A 3 -30,-2.3 -28,-2.5 -2,-0.3 2,-0.6 -0.586 23.9-126.0 -85.5 154.5 60.2 18.8 8.1 88 309 A I E -c 59 0A 2 -2,-0.2 30,-2.4 -30,-0.2 29,-1.2 -0.940 23.5-171.3-104.7 121.4 60.3 20.0 11.7 89 310 A F E -cd 60 118A 1 -30,-2.9 -28,-2.8 -2,-0.6 2,-0.7 -0.960 10.2-155.8-113.4 109.0 56.8 20.6 13.3 90 311 A E E -cd 61 119A 0 28,-2.4 2,-1.9 -2,-0.5 30,-0.8 -0.795 8.2-151.8 -87.1 113.0 56.8 22.2 16.7 91 312 A D E + 0 0 8 -30,-2.6 28,-0.1 -2,-0.7 -1,-0.1 -0.456 45.4 140.0 -87.5 65.6 53.5 21.2 18.3 92 313 A R E - 0 0 11 -2,-1.9 -1,-0.2 28,-0.1 3,-0.1 0.597 51.1-143.9 -86.6 -14.5 53.3 24.4 20.5 93 314 A K E - 0 0 30 -3,-0.3 28,-0.3 1,-0.1 -2,-0.1 0.943 16.3-147.6 45.3 58.4 49.5 24.8 20.0 94 315 A F E + d 0 121A 0 26,-2.0 28,-2.6 1,-0.1 -1,-0.1 -0.316 31.8 162.0 -53.1 133.7 49.7 28.6 19.9 95 316 A A + 0 0 3 26,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.070 33.3 93.9-156.5 37.7 46.4 29.8 21.5 96 317 A D S S- 0 0 9 1,-0.2 245,-0.0 26,-0.1 26,-0.0 -0.717 82.0 -66.0-129.1 176.5 46.8 33.5 22.6 97 318 A I >> - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 3,-0.9 -0.248 54.8-102.5 -65.4 157.9 46.1 36.8 21.1 98 319 A G H 3> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.848 117.5 53.5 -48.9 -47.9 48.1 37.9 18.0 99 320 A N H 3> S+ 0 0 116 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.798 113.9 43.6 -64.5 -29.5 50.5 40.3 19.8 100 321 A T H <> S+ 0 0 14 -3,-0.9 4,-2.2 2,-0.2 3,-0.4 0.919 111.2 50.4 -80.3 -46.9 51.5 37.6 22.3 101 322 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.823 102.5 63.0 -65.8 -31.0 51.9 34.7 20.0 102 323 A K H X S+ 0 0 46 -4,-2.0 4,-2.2 -5,-0.3 5,-0.3 0.938 109.6 40.1 -55.3 -44.5 54.1 36.8 17.7 103 324 A K H X S+ 0 0 92 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.858 113.7 53.0 -75.0 -36.2 56.7 37.1 20.6 104 325 A Q H < S+ 0 0 7 -4,-2.2 8,-0.4 2,-0.2 -1,-0.2 0.798 114.2 44.5 -66.3 -28.3 56.2 33.5 21.7 105 326 A Y H < S+ 0 0 0 -4,-2.0 8,-2.9 -5,-0.2 9,-0.3 0.902 126.5 26.8 -82.3 -44.7 56.9 32.3 18.1 106 327 A E H < S+ 0 0 103 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.798 123.3 31.7 -85.8 -29.9 59.9 34.6 17.3 107 328 A G X + 0 0 12 -4,-2.4 4,-1.9 -5,-0.3 5,-0.4 0.136 67.3 73.5-118.9-147.2 61.4 35.2 20.8 108 329 A G T 4 S- 0 0 1 206,-0.7 208,-0.2 1,-0.2 206,-0.1 -0.176 102.8 -52.2 59.6-158.3 62.0 34.0 24.3 109 330 A I T 4 S+ 0 0 31 206,-0.3 -1,-0.2 1,-0.2 -38,-0.1 0.759 134.5 58.0 -81.9 -23.5 64.7 31.3 24.7 110 331 A F T 4 S- 0 0 11 -3,-0.3 -2,-0.2 203,-0.2 -1,-0.2 0.810 74.6-161.2 -79.7 -30.4 63.3 28.9 22.1 111 332 A K >< - 0 0 61 -4,-1.9 3,-1.7 1,-0.1 4,-0.4 0.922 17.5-179.8 49.2 51.0 63.3 31.2 19.0 112 333 A I G >> + 0 0 2 -5,-0.4 4,-2.6 -8,-0.4 3,-2.1 0.886 69.8 57.9 -54.7 -47.7 60.9 28.7 17.4 113 334 A A G 34 S+ 0 0 1 -8,-2.9 -1,-0.3 1,-0.3 -7,-0.1 0.728 96.8 65.1 -57.8 -24.1 60.5 30.5 14.1 114 335 A S G <4 S+ 0 0 69 -3,-1.7 -1,-0.3 -9,-0.3 -2,-0.2 0.655 121.9 13.7 -74.5 -16.2 64.2 30.2 13.5 115 336 A W T <4 S+ 0 0 4 -3,-2.1 2,-0.6 -4,-0.4 -2,-0.2 0.575 102.0 92.7-131.3 -19.4 64.2 26.4 13.3 116 337 A A < - 0 0 0 -4,-2.6 -27,-0.2 -5,-0.2 27,-0.1 -0.738 45.3-168.6 -91.5 119.8 60.5 25.1 12.9 117 338 A D S S+ 0 0 23 -29,-1.2 26,-2.4 -2,-0.6 2,-0.4 0.909 80.8 22.5 -63.4 -43.3 59.2 24.6 9.4 118 339 A L E +de 89 143A 2 -30,-2.4 -28,-2.4 24,-0.2 2,-0.3 -0.956 61.8 176.1-130.2 144.3 55.7 24.2 10.8 119 340 A V E -de 90 144A 0 24,-1.2 26,-2.3 -2,-0.4 2,-0.3 -0.859 20.7-135.7-130.5 166.6 53.9 25.2 13.9 120 341 A N E - e 0 145A 1 -30,-0.8 -26,-2.0 -2,-0.3 2,-0.3 -0.880 13.4-163.0-121.7 162.5 50.2 24.8 14.9 121 342 A 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B Q 0 0 73 4,-2.4 4,-0.0 -2,-0.2 20,-0.0 -0.991 360.0 360.0-148.0 152.9 41.9 50.4 30.2 449 421 B L 0 0 143 -2,-0.3 4,-0.1 4,-0.1 39,-0.1 -0.496 360.0 360.0 67.6 360.0 41.2 53.9 31.6 450 ! 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 0.0 451 432 B Y 0 0 172 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.0 33.3 48.8 27.9 452 433 B N + 0 0 81 4,-0.1 -4,-2.4 5,-0.1 -8,-0.0 0.136 360.0 121.4-101.5 18.9 36.8 47.9 29.1 453 434 B S S > S- 0 0 38 -6,-0.2 4,-2.6 -4,-0.1 5,-0.3 -0.524 75.2-117.4 -76.1 147.2 36.8 50.5 31.9 454 435 B P H >>S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.9 0.880 114.8 54.4 -49.2 -42.1 37.3 49.3 35.5 455 436 B Q H >>S+ 0 0 85 3,-0.2 5,-0.9 1,-0.2 4,-0.8 0.898 112.5 41.9 -65.1 -40.7 33.8 50.5 36.5 456 437 B E H >>S+ 0 0 73 -3,-0.3 5,-3.0 3,-0.2 4,-0.9 0.950 119.1 43.6 -67.5 -51.0 32.1 48.6 33.7 457 438 B V H <5S+ 0 0 0 -4,-2.6 6,-2.3 3,-0.2 -2,-0.2 0.936 133.9 16.8 -61.1 -51.3 34.1 45.4 34.1 458 439 B I H <5S+ 0 0 0 -4,-2.6 4,-0.4 -5,-0.3 -3,-0.2 0.863 129.3 47.3 -90.8 -43.9 34.0 45.2 37.9 459 440 B G H <> S+ 0 0 13 -2,-0.4 4,-3.1 -22,-0.4 3,-2.2 0.537 70.4 27.8-116.9 -91.9 49.3 45.9 30.8 470 451 B R H 3> S+ 0 0 188 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.792 112.0 64.6 -51.4 -42.2 50.0 48.9 28.5 471 452 B G H 34 S+ 0 0 18 -24,-0.3 -1,-0.3 1,-0.2 -23,-0.1 0.735 122.1 20.6 -57.2 -26.7 48.2 51.4 30.7 472 453 B I H X4 S+ 0 0 0 -3,-2.2 3,-1.5 -187,-0.1 -2,-0.2 0.789 123.5 53.8-101.4 -52.1 50.7 50.8 33.5 473 454 B I H 3< S+ 0 0 31 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.797 117.3 36.1 -58.3 -37.5 53.7 49.3 31.7 474 455 B S T 3< S+ 0 0 66 -4,-2.3 -1,-0.3 -5,-0.3 -3,-0.1 0.321 90.8 123.2 -99.9 6.1 54.1 52.1 29.1 475 456 B A S < S- 0 0 28 -3,-1.5 3,-0.4 -5,-0.2 4,-0.1 -0.320 70.5-125.1 -68.3 149.2 53.1 54.9 31.5 476 457 B A S S+ 0 0 119 1,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.897 110.8 26.7 -59.7 -39.0 55.5 57.9 32.1 477 458 B D S > S- 0 0 81 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.902 74.6-172.2-126.4 104.0 55.2 57.1 35.8 478 459 B R H > S+ 0 0 110 -2,-0.5 4,-2.8 -3,-0.4 5,-0.2 0.857 83.7 50.5 -68.0 -37.3 54.3 53.4 36.3 479 460 B L H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 111.6 48.2 -69.6 -41.2 53.7 53.6 40.1 480 461 B E H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.951 113.7 48.1 -59.8 -49.1 51.3 56.5 39.7 481 462 B A H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.909 110.0 51.8 -56.6 -44.9 49.5 54.6 36.9 482 463 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.914 111.5 46.0 -62.1 -44.4 49.3 51.4 39.0 483 464 B E H X S+ 0 0 45 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.876 110.0 55.5 -65.1 -36.7 47.8 53.2 41.9 484 465 B M H X S+ 0 0 121 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.944 112.8 41.1 -60.0 -48.9 45.4 55.0 39.5 485 466 B Y H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.874 113.8 53.5 -66.7 -40.9 44.2 51.7 38.2 486 467 B R H X S+ 0 0 29 -4,-2.7 4,-2.5 -5,-0.2 -205,-0.2 0.931 110.8 45.7 -57.7 -49.2 44.1 50.1 41.7 487 468 B K H X S+ 0 0 116 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.934 113.4 49.8 -61.5 -47.0 41.9 52.9 43.1 488 469 B A H X S+ 0 0 36 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.917 114.7 43.5 -57.6 -47.6 39.6 52.8 40.1 489 470 B A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.884 114.6 49.9 -67.9 -37.9 39.1 49.0 40.3 490 471 B W H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.916 111.3 47.9 -69.3 -41.6 38.7 49.0 44.0 491 472 B E H X S+ 0 0 117 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.892 108.9 55.0 -64.2 -38.8 36.1 51.8 44.0 492 473 B A H < S+ 0 0 0 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.931 110.1 47.3 -57.3 -46.9 34.2 49.9 41.2 493 474 B Y H >< S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.921 111.6 47.8 -58.5 -51.4 34.2 46.9 43.6 494 475 B L H >< S+ 0 0 67 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.874 102.6 67.1 -60.2 -35.0 33.0 48.9 46.6 495 476 B S T 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.705 99.6 50.2 -57.2 -22.4 30.3 50.5 44.4 496 477 B R T < 0 0 45 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.462 360.0 360.0-101.7 -2.9 28.6 47.1 44.0 497 478 B L < 0 0 99 -3,-1.5 -244,-0.1 -4,-0.3 -3,-0.0 -0.443 360.0 360.0 -82.4 360.0 28.3 46.1 47.7