==== 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 TRANSFERASE 27-SEP-06 2IHW . COMPND 2 MOLECULE: LIPOAMIDE ACYLTRANSFERASE COMPONENT OF BRANCHED-C . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.KATO,R.M.WYNN,J.L.CHUANG,C.A.BRAUTIGAM,M.CUSTORIO,D.T.CHUA . 1872 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 87232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1389 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 318 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 7 0.4 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 . 155 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 240 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 531 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 0.9 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 11 1 2 0 0 1 4 3 0 0 9 9 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 15 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 0 PARALLEL BRIDGES PER LADDER . 0 15 16 6 6 5 0 0 8 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 6 0 0 0 4 4 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 1 188 A G 0 0 110 0, 0.0 2,-0.3 0, 0.0 327,-0.0 0.000 360.0 360.0 360.0 -8.5 27.1 -34.1 -0.9 2 189 A K - 0 0 177 325,-0.1 2,-0.4 323,-0.1 323,-0.0 -0.915 360.0 -81.3-141.6 166.5 25.3 -31.7 -3.2 3 190 A D - 0 0 91 -2,-0.3 2,-0.4 323,-0.1 323,-0.2 -0.601 40.6-160.4 -75.8 125.5 26.4 -28.6 -5.2 4 191 A R E -A 325 0A 125 321,-1.3 321,-2.3 -2,-0.4 2,-0.4 -0.886 5.9-152.4-103.6 130.6 26.5 -25.4 -3.1 5 192 A T E +A 324 0A 93 -2,-0.4 319,-0.2 319,-0.2 317,-0.0 -0.913 19.5 174.5-108.7 143.2 26.4 -22.0 -5.0 6 193 A E E -A 323 0A 60 317,-2.6 317,-2.3 -2,-0.4 2,-0.3 -0.971 31.7-109.5-146.3 153.0 27.9 -18.8 -3.6 7 194 A P E -A 322 0A 63 0, 0.0 2,-0.9 0, 0.0 315,-0.3 -0.653 31.1-123.3 -85.5 138.1 28.8 -15.2 -4.2 8 195 A V + 0 0 13 313,-3.0 2,-0.3 -2,-0.3 433,-0.0 -0.759 58.8 172.0 -68.1 106.9 32.4 -14.2 -4.6 9 196 A K > - 0 0 143 -2,-0.9 3,-1.5 3,-0.0 4,-0.1 -0.779 24.5 -2.6-130.0 167.9 32.1 -11.7 -1.8 10 197 A G T > S- 0 0 57 1,-0.3 3,-1.0 -2,-0.3 4,-0.3 -0.287 125.0 -1.8 56.0-121.7 34.0 -9.3 0.5 11 198 A F T >> S+ 0 0 78 1,-0.2 3,-1.5 2,-0.2 4,-0.6 0.772 118.9 74.4 -75.6 -26.9 37.7 -9.4 -0.1 12 199 A H H <> S+ 0 0 87 -3,-1.5 4,-1.5 1,-0.3 -1,-0.2 0.711 82.1 75.1 -62.1 -15.5 37.8 -12.0 -2.8 13 200 A K H <> S+ 0 0 118 -3,-1.0 4,-2.1 1,-0.2 -1,-0.3 0.836 88.4 58.2 -64.3 -37.4 36.4 -9.4 -5.2 14 201 A A H <> S+ 0 0 36 -3,-1.5 4,-2.7 -4,-0.3 -1,-0.2 0.878 102.2 52.5 -62.3 -42.2 39.8 -7.7 -5.5 15 202 A M H X S+ 0 0 17 -4,-0.6 4,-2.4 -3,-0.2 5,-0.3 0.915 108.3 51.9 -61.5 -43.5 41.6 -10.8 -6.7 16 203 A V H X S+ 0 0 16 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.977 112.3 45.3 -54.9 -57.1 39.0 -11.2 -9.5 17 204 A K H X S+ 0 0 160 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 115.2 47.5 -48.8 -55.9 39.5 -7.5 -10.6 18 205 A T H X S+ 0 0 48 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.897 114.0 44.7 -55.2 -47.3 43.3 -7.8 -10.5 19 206 A M H X S+ 0 0 3 -4,-2.4 4,-0.6 1,-0.3 -1,-0.2 0.812 111.1 52.8 -80.7 -25.1 43.6 -11.0 -12.4 20 207 A S H >< S+ 0 0 44 -4,-2.3 3,-1.1 -5,-0.3 4,-0.3 0.887 107.5 52.5 -69.4 -35.7 41.2 -10.0 -15.0 21 208 A A H >< S+ 0 0 45 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.844 100.1 65.6 -66.3 -27.1 43.2 -6.8 -15.5 22 209 A A H >< S+ 0 0 1 -4,-1.3 3,-1.8 1,-0.3 -1,-0.3 0.741 82.3 74.9 -72.6 -21.6 46.2 -9.1 -15.9 23 210 A L T << S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.703 83.6 67.6 -60.4 -23.9 44.7 -10.7 -19.2 24 211 A K T < S+ 0 0 157 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.519 88.1 81.2 -70.4 -3.7 45.6 -7.5 -21.1 25 212 A I S < S- 0 0 9 -3,-1.8 2,-0.9 -4,-0.1 140,-0.1 -0.904 78.2-136.8-112.2 112.8 49.4 -8.3 -20.6 26 213 A P - 0 0 5 0, 0.0 178,-2.4 0, 0.0 2,-0.3 -0.536 28.6-143.6 -64.7 103.5 51.1 -10.8 -22.9 27 214 A H E -C 203 0B 12 -2,-0.9 2,-0.5 176,-0.2 176,-0.2 -0.552 12.9-161.7 -79.5 129.5 53.1 -12.8 -20.4 28 215 A F E -C 202 0B 14 174,-2.6 174,-1.7 -2,-0.3 2,-0.5 -0.937 13.9-146.6 -99.5 132.0 56.5 -14.0 -21.5 29 216 A G E +CD 201 632B 7 603,-1.8 603,-2.7 -2,-0.5 2,-0.4 -0.837 22.8 169.5-106.8 129.4 58.0 -16.8 -19.3 30 217 A Y E +CD 200 631B 1 170,-2.7 170,-2.7 -2,-0.5 2,-0.3 -0.945 9.5 178.2-137.2 121.3 61.6 -17.3 -18.5 31 218 A C E +C 199 0B 12 599,-2.7 598,-2.4 -2,-0.4 2,-0.3 -0.795 3.8 165.4-118.9 162.2 62.8 -19.7 -15.9 32 219 A D E -C 198 0B 8 166,-2.7 166,-2.6 -2,-0.3 2,-0.4 -0.937 32.7-108.8-156.3 176.7 66.2 -20.9 -14.5 33 220 A E E -C 197 0B 20 -2,-0.3 2,-0.4 164,-0.2 164,-0.2 -0.962 26.3-160.5-115.8 140.1 68.0 -22.8 -11.7 34 221 A V E -C 196 0B 0 162,-3.1 162,-2.3 -2,-0.4 2,-0.9 -0.974 17.1-131.8-121.6 131.0 70.2 -21.0 -9.2 35 222 A D E +C 195 0B 56 -2,-0.4 3,-0.4 160,-0.2 4,-0.2 -0.753 26.7 176.0 -90.0 107.6 72.8 -22.7 -7.0 36 223 A L > + 0 0 0 158,-3.3 4,-2.5 -2,-0.9 5,-0.3 0.241 43.4 111.7 -97.7 14.0 72.3 -21.5 -3.5 37 224 A T H > S+ 0 0 50 157,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.887 84.5 44.4 -53.4 -46.9 74.9 -23.6 -1.7 38 225 A E H > S+ 0 0 82 -3,-0.4 4,-3.6 1,-0.2 -1,-0.2 0.935 113.3 51.3 -61.6 -44.4 77.0 -20.5 -0.8 39 226 A L H > S+ 0 0 0 184,-0.4 4,-3.3 2,-0.2 -2,-0.2 0.835 108.6 49.9 -64.9 -35.4 73.9 -18.5 0.2 40 227 A V H X S+ 0 0 32 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.912 113.4 46.4 -72.2 -42.9 72.7 -21.2 2.6 41 228 A K H X S+ 0 0 121 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.973 113.7 50.2 -56.1 -56.7 76.1 -21.4 4.1 42 229 A L H X S+ 0 0 11 -4,-3.6 4,-1.1 1,-0.2 -2,-0.2 0.880 111.7 47.2 -46.9 -52.7 76.1 -17.6 4.3 43 230 A R H >X S+ 0 0 45 -4,-3.3 4,-2.7 2,-0.2 3,-0.6 0.905 105.8 57.2 -61.1 -45.5 72.6 -17.5 5.9 44 231 A E H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.924 110.5 46.6 -54.4 -39.7 73.5 -20.2 8.5 45 232 A E H 3< S+ 0 0 74 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.697 113.7 47.3 -80.5 -14.7 76.3 -17.9 9.6 46 233 A L H XX S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.6 3,-0.7 0.767 91.4 78.6 -91.2 -25.0 74.2 -14.8 9.6 47 234 A K H 3X S+ 0 0 77 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.830 90.6 55.7 -46.2 -42.4 71.2 -16.2 11.6 48 235 A P H 3> S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.876 109.9 45.1 -64.3 -38.0 73.1 -15.9 15.0 49 236 A I H <4 S+ 0 0 57 -3,-0.7 -2,-0.2 -4,-0.3 6,-0.1 0.860 117.5 43.2 -70.6 -42.5 73.7 -12.1 14.4 50 237 A A H >X>S+ 0 0 0 -4,-2.1 3,-2.7 2,-0.2 5,-1.7 0.967 112.2 51.9 -74.9 -48.7 70.1 -11.4 13.3 51 238 A F H ><5S+ 0 0 174 -4,-3.3 3,-1.5 1,-0.3 -2,-0.2 0.939 105.9 57.7 -43.7 -48.4 68.6 -13.6 16.0 52 239 A A T 3<5S+ 0 0 80 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.557 109.1 45.8 -63.6 -4.1 70.8 -11.5 18.4 53 240 A R T <45S- 0 0 112 -3,-2.7 -1,-0.3 2,-0.2 -2,-0.2 0.457 123.2-101.9-115.5 -8.4 69.0 -8.4 17.1 54 241 A G T <<5S+ 0 0 63 -3,-1.5 2,-0.4 -4,-1.0 -3,-0.2 0.663 83.1 116.5 101.4 23.8 65.5 -9.8 17.3 55 242 A I < - 0 0 21 -5,-1.7 -1,-0.3 -8,-0.1 2,-0.3 -0.978 56.6-141.8-132.8 123.4 65.0 -10.6 13.6 56 243 A K - 0 0 179 -2,-0.4 2,-0.5 67,-0.1 71,-0.1 -0.628 22.7-147.7 -77.0 148.2 64.4 -13.8 11.8 57 244 A L + 0 0 8 -2,-0.3 -10,-0.1 -14,-0.1 -6,-0.1 -0.925 19.4 176.6-129.9 102.8 66.3 -13.9 8.5 58 245 A S - 0 0 45 -2,-0.5 4,-0.4 1,-0.1 65,-0.0 -0.156 48.9 -97.5 -86.0-170.9 64.9 -15.8 5.6 59 246 A F S >> S+ 0 0 36 1,-0.1 4,-2.0 2,-0.1 3,-0.6 0.717 107.5 86.1 -74.4 -20.9 66.3 -16.0 2.1 60 247 A M H 3> S+ 0 0 11 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.853 81.0 55.3 -56.4 -45.3 63.9 -13.3 1.0 61 248 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.935 111.2 47.8 -51.7 -42.0 66.1 -10.2 2.1 62 249 A F H <> S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.4 -2,-0.2 0.969 114.0 45.0 -61.6 -49.4 68.8 -11.7 -0.1 63 250 A F H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.896 114.5 49.9 -59.6 -44.5 66.5 -12.3 -3.0 64 251 A L H X S+ 0 0 0 -4,-3.6 4,-2.0 2,-0.2 -1,-0.2 0.888 112.0 45.8 -63.0 -46.1 65.0 -8.8 -2.6 65 252 A K H X S+ 0 0 1 -4,-2.6 4,-3.3 -5,-0.3 5,-0.2 0.906 111.7 52.4 -66.5 -42.1 68.3 -7.0 -2.5 66 253 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.3 -2,-0.2 0.924 110.6 47.4 -63.3 -38.9 69.7 -8.9 -5.4 67 254 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.892 111.2 52.5 -66.8 -35.1 66.5 -8.0 -7.5 68 255 A S H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.982 111.0 44.6 -62.9 -54.2 67.0 -4.4 -6.4 69 256 A L H >X S+ 0 0 13 -4,-3.3 4,-1.0 1,-0.2 3,-0.7 0.919 113.6 53.4 -52.5 -44.6 70.6 -4.5 -7.5 70 257 A G H >X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 3,-0.7 0.900 104.6 53.3 -54.6 -45.8 69.4 -6.1 -10.7 71 258 A L H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 7,-0.2 0.686 96.7 67.0 -72.1 -17.9 66.7 -3.4 -11.3 72 259 A L H << S+ 0 0 95 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.916 109.4 37.7 -60.9 -42.0 69.4 -0.7 -11.1 73 260 A Q H << S+ 0 0 123 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.791 127.2 36.6 -80.5 -31.0 70.9 -2.1 -14.3 74 261 A F >< + 0 0 45 -4,-1.6 3,-1.5 1,-0.1 4,-0.3 -0.626 66.3 165.5-122.3 75.0 67.6 -3.0 -15.9 75 262 A P G > + 0 0 66 0, 0.0 3,-2.6 0, 0.0 16,-0.3 0.804 66.4 75.2 -62.7 -31.6 65.3 -0.1 -14.9 76 263 A I G > S+ 0 0 31 1,-0.3 3,-0.9 -3,-0.1 13,-0.1 0.802 88.3 60.9 -50.4 -32.1 62.7 -1.1 -17.5 77 264 A L G < S+ 0 0 3 -3,-1.5 93,-0.4 1,-0.3 -1,-0.3 0.685 101.3 53.9 -71.7 -16.6 61.7 -4.0 -15.3 78 265 A N G < S+ 0 0 0 -3,-2.6 13,-1.7 -4,-0.3 -1,-0.3 -0.328 96.2 100.7-107.0 43.5 60.7 -1.6 -12.6 79 266 A A E < -J 90 0C 0 -3,-0.9 91,-0.4 11,-0.2 2,-0.3 -0.671 60.7-135.6-116.3 177.5 58.4 0.4 -14.8 80 267 A S E -J 89 0C 9 9,-2.2 9,-2.6 -2,-0.2 2,-0.3 -0.947 11.2-149.5-129.2 159.9 54.7 0.7 -15.6 81 268 A V E -J 88 0C 23 87,-0.7 7,-0.2 -2,-0.3 2,-0.0 -0.782 17.7-123.1-124.7 158.6 52.8 1.0 -18.8 82 269 A D > - 0 0 59 5,-1.2 3,-1.5 -2,-0.3 -1,-0.1 -0.123 47.3 -58.4 -98.8-159.7 49.6 2.8 -19.6 83 270 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.884 133.3 7.5 -53.1 -54.1 46.1 2.0 -21.0 84 271 A N T 3 S- 0 0 100 3,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.002 113.0 -95.1-116.8 38.9 47.3 0.6 -24.3 85 272 A C S < S+ 0 0 3 -3,-1.5 3,-0.1 2,-0.1 -2,-0.1 0.944 84.5 129.0 56.1 52.5 51.0 0.5 -23.7 86 273 A Q + 0 0 130 1,-0.3 392,-2.9 391,-0.1 2,-0.4 0.604 69.0 35.5-103.1 -21.8 51.8 3.9 -25.4 87 274 A N E - K 0 477C 57 390,-0.3 -5,-1.2 2,-0.0 2,-0.5 -1.000 65.3-152.7-142.7 141.0 53.8 5.3 -22.5 88 275 A I E -JK 81 476C 15 388,-3.0 388,-3.0 -2,-0.4 2,-0.6 -0.930 4.2-156.5-115.1 128.9 56.2 3.9 -20.0 89 276 A T E -JK 80 475C 37 -9,-2.6 -9,-2.2 -2,-0.5 2,-0.5 -0.942 11.2-151.3-106.1 114.7 56.8 5.3 -16.6 90 277 A Y E -JK 79 474C 46 384,-2.8 384,-2.1 -2,-0.6 2,-0.4 -0.718 17.9-141.6 -82.4 122.0 60.2 4.4 -15.2 91 278 A K - 0 0 56 -13,-1.7 382,-0.1 -2,-0.5 -13,-0.1 -0.716 15.6-159.2 -98.0 132.1 60.0 4.3 -11.4 92 279 A A S S+ 0 0 27 -2,-0.4 2,-0.5 379,-0.1 -1,-0.1 0.793 73.4 76.6 -73.5 -27.3 62.7 5.5 -9.1 93 280 A S - 0 0 37 -15,-0.1 2,-1.4 2,-0.1 -2,-0.1 -0.744 68.4-148.2 -96.4 126.3 61.6 3.5 -6.1 94 281 A H + 0 0 8 -2,-0.5 20,-3.1 2,-0.1 2,-0.9 -0.763 29.4 169.2 -88.5 90.0 62.2 -0.2 -5.9 95 282 A N - 0 0 16 -2,-1.4 52,-2.8 18,-0.2 53,-1.0 -0.836 18.1-162.4-103.4 89.9 59.1 -1.0 -3.9 96 283 A I E -Ef 111 148B 0 15,-1.2 15,-2.7 -2,-0.9 2,-0.2 -0.641 7.2-139.6 -87.8 127.2 59.1 -4.8 -4.0 97 284 A G E -Ef 110 149B 1 51,-3.1 53,-2.6 -2,-0.4 2,-0.7 -0.560 2.5-151.8 -80.4 139.6 56.0 -6.7 -3.3 98 285 A I E - f 0 150B 14 11,-2.9 2,-0.2 -2,-0.2 53,-0.2 -0.945 23.3-133.8-109.1 103.8 56.0 -9.9 -1.3 99 286 A A + 0 0 24 51,-2.1 53,-0.4 -2,-0.7 2,-0.3 -0.432 33.0 177.6 -62.4 127.4 53.1 -11.9 -2.5 100 287 A M E -L 107 0D 33 7,-2.1 7,-2.7 -2,-0.2 2,-0.4 -0.958 24.6-148.6-131.0 147.3 51.1 -13.4 0.5 101 288 A D E +L 106 0D 57 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.972 23.7 176.5-114.0 132.6 48.0 -15.5 1.0 102 289 A T E > -L 105 0D 42 3,-1.2 3,-1.9 -2,-0.4 32,-0.1 -0.409 58.6 -71.8-110.9-168.6 46.0 -14.9 4.2 103 290 A E T 3 S+ 0 0 196 1,-0.3 31,-0.1 -2,-0.1 -2,-0.0 0.708 145.2 43.0 -51.9 -20.5 42.7 -16.3 5.6 104 291 A Q T 3 S- 0 0 89 1,-0.4 -1,-0.3 -93,-0.1 2,-0.1 0.176 111.5-135.1-111.2 12.6 41.5 -14.0 2.7 105 292 A G E < +L 102 0D 7 -3,-1.9 -3,-1.2 2,-0.0 -1,-0.4 -0.363 66.6 47.7 65.8-141.6 44.1 -15.0 0.1 106 293 A L E +L 101 0D 32 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 0.036 55.2 149.7 -57.5 123.2 46.0 -12.6 -2.1 107 294 A I E -L 100 0D 24 -7,-2.7 -7,-2.1 -9,-0.1 -2,-0.0 -0.960 23.5-164.8-150.2 134.4 47.6 -9.6 -0.4 108 295 A V + 0 0 30 -2,-0.3 -9,-0.2 -9,-0.2 38,-0.1 -0.656 9.7 176.6-131.5 74.1 50.8 -8.0 -1.6 109 296 A P - 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0 0 1 -4,-1.7 -1,-0.2 -37,-0.1 2,-0.1 -0.970 69.0-154.6-108.9 116.2 60.3 -5.9 -22.0 208 395 A D > - 0 0 20 -2,-0.5 4,-1.7 -3,-0.1 5,-0.2 -0.360 27.1-105.3 -87.0 175.2 62.2 -8.2 -24.4 209 396 A G H > S+ 0 0 15 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.865 117.7 55.7 -69.2 -42.7 63.7 -11.7 -23.8 210 397 A A H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.880 106.9 51.8 -58.2 -35.6 67.3 -10.6 -23.6 211 398 A T H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.945 113.2 42.5 -71.0 -42.5 66.3 -8.1 -20.9 212 399 A V H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.927 117.6 49.7 -64.1 -42.1 64.6 -10.7 -18.7 213 400 A S H X S+ 0 0 1 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.989 113.9 41.4 -57.8 -65.8 67.4 -13.0 -19.5 214 401 A R H X S+ 0 0 125 -4,-2.9 4,-1.8 1,-0.2 5,-0.2 0.904 115.1 51.4 -50.8 -46.3 70.2 -10.6 -18.6 215 402 A F H X S+ 0 0 2 -4,-2.9 4,-2.9 -5,-0.3 3,-0.4 0.961 110.4 51.7 -55.5 -44.6 68.4 -9.3 -15.5 216 403 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 -2,-0.2 0.921 108.8 47.9 -63.6 -47.2 68.0 -12.9 -14.5 217 404 A N H X S+ 0 0 44 -4,-2.7 4,-2.5 2,-0.2 -1,-0.3 0.777 113.5 48.4 -57.7 -32.0 71.7 -13.9 -14.8 218 405 A L H X S+ 0 0 37 -4,-1.8 4,-1.7 -3,-0.4 5,-0.2 0.981 113.5 45.6 -76.3 -54.3 72.7 -10.8 -12.9 219 406 A W H >X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 3,-0.6 0.905 116.4 48.7 -46.8 -47.5 70.2 -11.4 -10.1 220 407 A K H >X S+ 0 0 28 -4,-2.8 4,-2.4 -5,-0.3 3,-1.5 0.929 107.4 52.9 -66.8 -44.7 71.4 -15.1 -10.2 221 408 A S H 3X S+ 0 0 26 -4,-2.5 4,-1.0 1,-0.3 7,-0.3 0.744 103.3 58.5 -66.6 -21.7 75.1 -14.2 -10.1 222 409 A Y H << S+ 0 0 19 -4,-1.7 7,-0.4 -3,-0.6 -1,-0.3 0.746 112.3 40.9 -71.2 -22.6 74.5 -12.1 -7.0 223 410 A L H << S+ 0 0 0 -3,-1.5 -184,-0.4 -4,-0.7 -2,-0.2 0.779 114.6 47.3-100.0 -34.7 73.1 -15.1 -5.2 224 411 A E H < S+ 0 0 54 -4,-2.4 -186,-0.2 1,-0.3 -3,-0.2 0.761 127.1 30.4 -74.6 -26.0 75.5 -17.7 -6.4 225 412 A N S >X S- 0 0 57 -4,-1.0 3,-2.9 -5,-0.3 4,-0.5 -0.665 72.1-179.4-133.5 72.9 78.4 -15.4 -5.6 226 413 A P H 3> S+ 0 0 11 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.645 77.0 69.2 -60.7 -9.9 77.2 -13.3 -2.7 227 414 A A H >> S+ 0 0 12 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.837 84.5 70.0 -71.3 -32.2 80.6 -11.4 -2.7 228 415 A F H X4 S+ 0 0 42 -3,-2.9 3,-1.0 -7,-0.3 4,-0.5 0.874 95.0 56.0 -53.4 -35.4 79.6 -9.9 -5.9 229 416 A M H >X S+ 0 0 1 -4,-0.5 3,-0.8 -7,-0.4 4,-0.6 0.848 96.2 64.9 -63.3 -36.0 77.0 -8.0 -3.8 230 417 A L H << S+ 0 0 2 -3,-0.9 1064,-0.6 -4,-0.7 3,-0.2 0.667 87.8 71.3 -54.8 -26.8 79.7 -6.5 -1.5 231 418 A L T << S+ 0 0 4 -3,-1.0 1064,-2.2 -4,-0.6 1065,-0.3 0.880 107.2 28.2 -71.4 -39.2 81.3 -4.5 -4.3 232 419 A D T <4 S+ 0 0 43 -3,-0.8 2,-0.2 -4,-0.5 -1,-0.2 0.387 91.4 109.6-111.4 10.9 78.6 -1.9 -4.7 233 420 A L < 0 0 1 -4,-0.6 1061,-0.7 -3,-0.2 1062,-0.1 -0.610 360.0 360.0 -88.1 148.5 77.0 -1.6 -1.3 234 421 A K 0 0 87 -2,-0.2 1058,-0.2 1059,-0.2 -1,-0.1 0.551 360.0 360.0-118.4 360.0 77.5 1.5 0.9 235 !* 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 0.0 236 188 B G 0 0 108 0, 0.0 2,-0.3 0, 0.0 327,-0.1 0.000 360.0 360.0 360.0 15.3 54.9 -27.9 -52.8 237 189 B K - 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0 0 4 0, 0.0 178,-2.8 0, 0.0 2,-0.4 -0.661 27.5-147.8 -75.4 102.7 43.8 -16.0 -15.9 262 214 B H E - N 0 438E 13 -2,-1.0 2,-0.5 176,-0.2 176,-0.2 -0.540 15.4-170.4 -81.1 123.0 46.1 -19.0 -15.7 263 215 B F E - N 0 437E 10 174,-2.4 174,-2.0 -2,-0.4 2,-0.4 -0.943 16.6-151.7-104.9 131.9 48.5 -19.3 -12.7 264 216 B G E +MN 162 436E 7 -102,-1.9 -102,-2.2 -2,-0.5 2,-0.4 -0.872 17.0 178.8-107.9 137.9 50.9 -22.1 -13.3 265 217 B Y E -MN 161 435E 0 170,-2.3 170,-3.2 -2,-0.4 2,-0.3 -0.992 7.9-172.8-138.9 133.6 52.4 -24.1 -10.6 266 218 B C E + N 0 434E 12 -106,-2.5 -107,-2.4 -2,-0.4 2,-0.3 -0.847 8.6 165.5-125.8 155.9 54.9 -27.0 -11.1 267 219 B D E - N 0 433E 3 166,-2.2 166,-2.2 -2,-0.3 2,-0.4 -0.945 31.3-119.9-153.2 177.4 56.6 -29.7 -9.1 268 220 B E E - N 0 432E 25 -2,-0.3 2,-0.4 164,-0.2 164,-0.3 -0.975 25.9-156.0-123.0 142.6 58.5 -32.9 -9.3 269 221 B V E - N 0 431E 0 162,-3.9 162,-2.8 -2,-0.4 2,-0.9 -0.963 15.6-130.9-125.8 133.0 57.2 -36.0 -7.6 270 222 B D E + N 0 430E 61 -2,-0.4 3,-0.3 160,-0.2 4,-0.2 -0.743 29.1 174.7 -89.5 102.8 59.3 -39.0 -6.4 271 223 B L > + 0 0 0 158,-2.8 4,-2.4 -2,-0.9 5,-0.2 0.162 42.0 110.8-100.2 19.1 57.4 -42.0 -7.7 272 224 B T H > S+ 0 0 54 157,-0.4 4,-2.1 2,-0.2 3,-0.3 0.959 81.3 45.1 -60.7 -54.3 59.8 -44.7 -6.8 273 225 B E H > S+ 0 0 91 -3,-0.3 4,-2.2 186,-0.3 -1,-0.2 0.885 115.6 50.5 -60.1 -36.8 57.6 -46.3 -4.1 274 226 B L H > S+ 0 0 0 -4,-0.2 4,-2.6 184,-0.2 -1,-0.2 0.817 105.8 54.4 -68.5 -34.2 54.7 -46.0 -6.5 275 227 B V H X S+ 0 0 33 -4,-2.4 4,-1.7 -3,-0.3 -2,-0.2 0.930 113.8 42.0 -66.1 -42.8 56.6 -47.7 -9.4 276 228 B K H X S+ 0 0 110 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.916 112.6 54.9 -65.6 -44.3 57.3 -50.7 -7.2 277 229 B L H X S+ 0 0 44 -4,-2.2 4,-1.3 1,-0.3 -2,-0.2 0.890 107.1 50.3 -59.9 -41.5 53.8 -50.6 -5.8 278 230 B R H X S+ 0 0 49 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.890 103.1 61.1 -64.1 -38.4 52.4 -50.8 -9.3 279 231 B E H < S+ 0 0 106 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 107.3 44.5 -56.5 -40.4 54.7 -53.8 -10.1 280 232 B E H < S+ 0 0 107 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.773 115.2 46.5 -76.5 -27.8 53.1 -55.9 -7.4 281 233 B L H >X S+ 0 0 70 -4,-1.3 4,-2.2 -3,-0.3 3,-0.9 0.801 93.4 80.7 -82.6 -30.4 49.5 -55.0 -8.2 282 234 B K H 3X S+ 0 0 79 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.854 92.1 48.0 -40.5 -52.6 50.0 -55.5 -11.9 283 235 B P H 3> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.816 111.7 50.1 -63.8 -31.6 49.6 -59.4 -11.7 284 236 B I H <> S+ 0 0 94 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.846 114.2 44.2 -70.6 -39.6 46.4 -59.1 -9.5 285 237 B A H <>S+ 0 0 6 -4,-2.2 5,-2.6 2,-0.2 -1,-0.2 0.774 113.4 50.8 -77.0 -27.7 44.8 -56.6 -12.0 286 238 B F H ><5S+ 0 0 172 -4,-1.8 3,-1.4 -5,-0.3 -2,-0.2 0.884 108.8 51.7 -75.2 -41.9 45.9 -58.7 -14.9 287 239 B A H 3<5S+ 0 0 79 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.937 110.8 49.0 -54.6 -45.9 44.4 -61.7 -13.2 288 240 B R T 3<5S- 0 0 153 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.451 122.9-109.7 -75.8 0.2 41.2 -59.6 -12.9 289 241 B G T < 5S+ 0 0 60 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.376 78.5 121.2 87.8 -3.1 41.4 -58.7 -16.6 290 242 B I < - 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0 0 66 -4,-1.5 3,-2.6 -5,-0.4 -1,-0.3 -0.573 69.7-180.0-139.1 82.5 90.5 -76.1 -39.3 1636 413 G P T >> S+ 0 0 15 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.586 74.7 83.5 -60.2 -14.1 92.3 -79.2 -40.8 1637 414 G A H >> S+ 0 0 61 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.952 84.3 59.9 -45.6 -50.0 89.8 -81.3 -38.9 1638 415 G F H <4 S+ 0 0 107 -3,-2.6 4,-0.4 -7,-0.3 -1,-0.2 0.735 96.5 58.7 -58.6 -29.0 87.5 -80.6 -41.9 1639 416 G M H X> S+ 0 0 8 -3,-0.8 3,-1.1 -7,-0.4 4,-0.8 0.929 97.9 62.3 -63.8 -45.2 90.1 -82.3 -44.3 1640 417 G L H X< S+ 0 0 133 -4,-1.3 3,-1.8 -3,-0.7 -2,-0.2 0.912 88.8 69.4 -38.3 -64.4 89.8 -85.6 -42.4 1641 418 G L T 3< S+ 0 0 149 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.600 106.6 33.2 -38.8 -37.1 86.0 -86.1 -43.0 1642 419 G D T <4 S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.645 93.1 96.7-104.4 -11.1 86.3 -86.9 -46.7 1643 420 G L << 0 0 70 -3,-1.8 -115,-0.0 -4,-0.8 0, 0.0 -0.302 360.0 360.0 -81.4 164.1 89.6 -88.7 -47.3 1644 421 G K 0 0 267 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.363 360.0 360.0-144.5 360.0 90.1 -92.5 -47.5 1645 !* 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 1646 188 H G 0 0 128 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.2 67.1 -72.2 66.4 1647 189 H K - 0 0 192 2,-0.0 2,-0.7 0, 0.0 0, 0.0 -0.962 360.0-122.3-121.3 137.2 68.5 -72.6 70.0 1648 190 H D - 0 0 172 -2,-0.4 2,-0.5 2,-0.0 0, 0.0 -0.673 33.1-165.3 -74.7 114.7 71.5 -70.9 71.7 1649 191 H R - 0 0 191 -2,-0.7 2,-0.4 2,-0.0 -2,-0.0 -0.884 8.1-163.7-106.7 129.5 73.9 -73.6 73.0 1650 192 H T + 0 0 138 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.862 13.8 169.1-102.7 144.3 76.7 -73.1 75.5 1651 193 H E - 0 0 124 -2,-0.4 -2,-0.0 3,-0.0 3,-0.0 -0.969 34.3-107.9-150.2 138.0 79.6 -75.6 76.0 1652 194 H P - 0 0 88 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.274 33.3-112.8 -54.1 150.1 82.9 -75.5 77.9 1653 195 H V + 0 0 93 4,-0.0 2,-0.2 5,-0.0 5,-0.0 -0.831 51.8 179.7 -81.9 121.6 86.2 -75.3 76.0 1654 196 H K > - 0 0 135 -2,-0.6 3,-1.5 3,-0.0 4,-0.3 -0.627 24.7 -3.7-120.6 177.0 87.9 -78.6 76.7 1655 197 H G T > S- 0 0 44 1,-0.3 3,-3.1 2,-0.2 4,-0.4 0.170 121.9 -9.3 48.4-146.8 91.0 -80.7 76.1 1656 198 H F T 3> S+ 0 0 164 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.487 122.2 81.4 -71.5 6.8 93.7 -79.7 73.8 1657 199 H H H <> S+ 0 0 95 -3,-1.5 4,-1.1 1,-0.2 3,-0.4 0.772 82.3 63.2 -71.9 -25.6 91.3 -76.9 72.8 1658 200 H K H <> S+ 0 0 123 -3,-3.1 4,-2.1 -4,-0.3 -1,-0.2 0.736 91.4 66.9 -68.5 -22.6 92.6 -75.2 76.0 1659 201 H A H > S+ 0 0 43 -4,-0.4 4,-2.7 -3,-0.3 -1,-0.2 0.887 96.4 49.2 -70.3 -43.8 96.1 -75.0 74.5 1660 202 H M H X S+ 0 0 88 -4,-0.6 4,-2.9 -3,-0.4 5,-0.4 0.898 109.4 56.9 -63.0 -41.3 95.3 -72.6 71.6 1661 203 H V H X S+ 0 0 78 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.940 111.2 40.2 -52.1 -54.7 93.6 -70.4 74.3 1662 204 H K H X S+ 0 0 169 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.938 117.0 50.0 -59.9 -48.5 96.8 -70.3 76.4 1663 205 H T H X S+ 0 0 53 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.889 114.9 41.0 -57.8 -50.9 99.2 -69.8 73.3 1664 206 H M H X S+ 0 0 67 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.866 113.5 54.0 -73.5 -33.8 97.2 -67.0 71.7 1665 207 H S H >< S+ 0 0 69 -4,-1.9 3,-1.4 -5,-0.4 4,-0.4 0.916 106.4 54.4 -60.0 -37.1 96.7 -65.4 75.1 1666 208 H A H >< S+ 0 0 38 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.893 99.2 62.4 -66.8 -31.3 100.4 -65.5 75.6 1667 209 H A H >< S+ 0 0 3 -4,-1.4 3,-2.0 1,-0.3 -1,-0.3 0.645 81.8 79.5 -69.6 -16.2 100.9 -63.7 72.3 1668 210 H L T << S+ 0 0 151 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.792 83.4 64.8 -62.3 -27.1 99.1 -60.6 73.5 1669 211 H K T < S+ 0 0 140 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.566 87.7 88.6 -72.0 -2.3 102.3 -59.6 75.4 1670 212 H I S < S- 0 0 14 -3,-2.0 2,-0.7 140,-0.1 140,-0.1 -0.830 75.5-139.9-106.1 115.5 104.0 -59.2 72.0 1671 213 H P - 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