==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 01-AUG-08 2VZG . COMPND 2 MOLECULE: PAXILLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LORENZ,I.VAKONAKIS,E.D.LOWE,I.D.CAMPBELL,M.E.M.NOBLE,M.K.H . 141 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.5 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 1 0 0 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 1 A N 0 0 188 0, 0.0 2,-0.3 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 123.0 -7.4 -20.2 18.4 2 2 A L - 0 0 182 3,-0.0 2,-0.4 4,-0.0 3,-0.1 -0.791 360.0-154.1-101.1 154.8 -10.4 -18.5 20.1 3 3 A S >> - 0 0 26 -2,-0.3 3,-0.9 1,-0.1 4,-0.7 -0.975 24.6-158.6-138.2 125.1 -12.0 -15.5 18.4 4 4 A E H 3> S+ 0 0 140 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.719 91.5 78.5 -67.3 -17.7 -14.0 -12.6 19.8 5 5 A L H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 88.5 54.3 -55.0 -42.6 -15.4 -12.3 16.3 6 6 A D H <> S+ 0 0 43 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.925 110.1 44.2 -61.0 -49.5 -17.8 -15.2 17.0 7 7 A R H X S+ 0 0 155 -4,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.875 111.4 56.0 -61.4 -39.0 -19.3 -13.6 20.1 8 8 A L H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 109.5 44.6 -59.7 -47.2 -19.6 -10.2 18.3 9 9 A L H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.865 111.8 53.3 -68.3 -36.1 -21.7 -11.7 15.5 10 10 A L H X S+ 0 0 116 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.912 110.8 46.7 -59.5 -47.9 -23.8 -13.6 18.0 11 11 A E H X S+ 0 0 97 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.876 112.8 49.0 -63.6 -40.9 -24.6 -10.4 19.9 12 12 A L H < S+ 0 0 13 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.851 108.0 54.5 -67.7 -35.8 -25.3 -8.5 16.6 13 13 A N H < S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 103.6 57.2 -63.7 -34.4 -27.6 -11.3 15.5 14 14 A A H < 0 0 86 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.725 360.0 360.0 -70.0 -24.9 -29.6 -11.0 18.8 15 15 A V < 0 0 128 -4,-0.7 7,-0.1 -3,-0.5 -3,-0.0 -0.507 360.0 360.0 -74.5 360.0 -30.3 -7.2 18.1 16 !* 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 17 247 B R 0 0 179 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 -30.6 -8.5 6.5 18 248 B D >> - 0 0 42 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.814 360.0 -75.6-142.4-176.4 -27.8 -10.2 8.6 19 249 B A H 3> S+ 0 0 15 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.738 124.4 60.6 -57.7 -27.0 -25.3 -9.5 11.3 20 250 B F H 3> S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 102.3 50.3 -73.1 -34.3 -23.1 -7.6 8.8 21 251 B D H <> S+ 0 0 24 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.926 113.0 47.1 -63.2 -44.3 -25.9 -5.0 8.2 22 252 B T H X>S+ 0 0 11 -4,-1.6 4,-2.9 1,-0.2 5,-0.7 0.854 108.4 57.3 -63.7 -36.4 -26.2 -4.6 12.0 23 253 B L H X5S+ 0 0 0 -4,-2.0 4,-1.3 3,-0.2 7,-0.3 0.931 112.8 37.8 -58.4 -51.7 -22.4 -4.3 12.2 24 254 B F H <5S+ 0 0 56 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 124.1 41.3 -70.3 -38.9 -22.2 -1.3 9.8 25 255 B D H <5S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.870 132.7 14.9 -75.2 -42.3 -25.4 0.3 11.1 26 256 B H H <5S+ 0 0 130 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.552 135.5 26.2-119.4 -12.3 -25.1 -0.2 14.9 27 257 B A ><< + 0 0 13 -4,-1.3 3,-2.4 -5,-0.7 4,-0.1 -0.137 60.9 146.1-145.6 46.2 -21.6 -1.1 15.7 28 258 B P G > + 0 0 70 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.745 69.4 70.9 -61.5 -21.8 -19.2 0.3 13.0 29 259 B D G 3 S+ 0 0 116 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.540 90.3 61.3 -67.4 -9.4 -16.6 0.8 15.7 30 260 B K G X> S+ 0 0 82 -3,-2.4 4,-1.5 -7,-0.3 3,-0.5 0.382 72.5 99.9 -97.5 2.4 -16.1 -3.0 15.8 31 261 B L H <> S+ 0 0 24 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.833 75.0 60.0 -59.6 -33.5 -15.1 -3.2 12.2 32 262 B N H 3> S+ 0 0 120 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.895 102.3 51.9 -63.9 -38.9 -11.4 -3.5 13.2 33 263 B V H <> S+ 0 0 34 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.928 112.3 47.5 -55.5 -49.4 -12.0 -6.7 15.2 34 264 B V H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.935 115.3 43.2 -59.0 -52.4 -13.7 -8.2 12.1 35 265 B K H X S+ 0 0 45 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.863 112.4 52.2 -68.2 -38.3 -11.0 -7.2 9.7 36 266 B K H X S+ 0 0 153 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.937 111.1 47.7 -61.9 -47.5 -8.1 -8.2 11.9 37 267 B T H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.919 116.0 43.5 -58.1 -47.3 -9.6 -11.7 12.5 38 268 B L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.890 112.4 51.4 -70.6 -39.2 -10.2 -12.2 8.8 39 269 B I H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 14,-0.2 0.898 109.5 51.2 -66.7 -38.1 -6.9 -10.8 7.6 40 270 B T H X S+ 0 0 88 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.931 112.6 47.4 -61.6 -45.1 -5.0 -13.1 10.1 41 271 B F H X S+ 0 0 13 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.941 112.4 46.8 -60.7 -54.3 -7.0 -16.1 8.7 42 272 B V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-0.4 0.894 113.0 49.6 -60.7 -39.4 -6.4 -15.4 5.0 43 273 B N H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.810 98.0 66.7 -71.6 -30.2 -2.7 -14.8 5.5 44 274 B K H < S+ 0 0 80 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.906 116.5 29.2 -51.5 -41.9 -2.2 -18.0 7.5 45 275 B H H >< S+ 0 0 2 -4,-1.1 3,-1.6 -3,-0.4 4,-0.4 0.925 118.7 51.8 -86.7 -49.8 -3.1 -19.7 4.2 46 276 B L H ><>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.3 3,-1.9 0.830 98.9 68.0 -59.7 -32.2 -1.8 -17.2 1.5 47 277 B N G ><5S+ 0 0 81 -4,-2.4 3,-1.7 1,-0.3 -1,-0.3 0.796 88.9 65.1 -57.9 -27.4 1.6 -17.1 3.2 48 278 B K G < 5S+ 0 0 109 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.731 105.0 45.3 -67.8 -22.4 2.1 -20.7 2.1 49 279 B L G < 5S- 0 0 70 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.091 123.8-104.4-102.6 18.1 2.1 -19.4 -1.4 50 280 B N T < 5S+ 0 0 157 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.852 83.8 128.8 56.4 36.0 4.4 -16.5 -0.7 51 281 B L < - 0 0 36 -5,-2.1 2,-0.3 -8,-0.1 -1,-0.2 -0.878 35.8-175.8-119.7 154.0 1.4 -14.2 -0.8 52 282 B E - 0 0 100 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.0 -0.954 15.1-150.2-156.3 127.4 0.2 -11.6 1.8 53 283 B V + 0 0 0 -2,-0.3 3,-0.1 -14,-0.2 -10,-0.1 -0.845 13.9 175.5 -99.9 133.5 -2.9 -9.3 2.1 54 284 B T S S+ 0 0 99 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.512 73.2 29.3-112.6 -10.6 -2.5 -6.0 4.0 55 285 B E >> - 0 0 80 1,-0.1 4,-1.5 -16,-0.0 3,-0.5 -0.918 54.4-160.5-153.5 127.7 -6.0 -4.6 3.3 56 286 B L T 34 S+ 0 0 3 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.659 85.4 74.4 -72.8 -20.8 -9.3 -6.4 2.8 57 287 B E T 34 S+ 0 0 62 1,-0.1 -1,-0.2 2,-0.1 70,-0.1 0.842 118.0 3.5 -65.8 -33.6 -10.9 -3.3 1.2 58 288 B T T X4 S+ 0 0 65 -3,-0.5 3,-1.0 2,-0.1 4,-0.3 0.647 109.5 79.2-124.4 -26.4 -9.1 -3.6 -2.2 59 289 B Q T 3< S+ 0 0 57 -4,-1.5 6,-0.4 1,-0.3 -3,-0.1 0.523 97.7 43.8 -82.8 -5.7 -6.8 -6.7 -2.4 60 290 B F T > S+ 0 0 1 -4,-0.4 3,-1.9 59,-0.1 -1,-0.3 0.456 87.2 95.3-103.3 -6.5 -9.5 -9.3 -3.1 61 291 B A T < S+ 0 0 13 -3,-1.0 36,-0.2 1,-0.3 -2,-0.1 0.778 79.7 53.4 -60.5 -32.0 -11.3 -7.2 -5.7 62 292 B D T 3 S- 0 0 54 -4,-0.3 -1,-0.3 34,-0.1 34,-0.2 0.479 103.9-128.6 -84.1 -0.1 -9.6 -8.7 -8.8 63 293 B G S <> S+ 0 0 0 -3,-1.9 4,-2.1 33,-0.1 5,-0.2 0.252 77.8 111.5 79.7 -12.8 -10.5 -12.2 -7.7 64 294 B V H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.955 78.7 43.5 -63.2 -54.6 -7.0 -13.7 -8.0 65 295 B Y H > S+ 0 0 62 -6,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.846 111.5 55.7 -60.2 -35.4 -6.4 -14.3 -4.3 66 296 B L H > S+ 0 0 2 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 109.5 46.1 -62.1 -44.2 -9.9 -15.7 -3.8 67 297 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.963 115.6 46.0 -62.3 -49.9 -9.3 -18.3 -6.5 68 298 B L H X S+ 0 0 41 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.888 110.9 52.9 -61.9 -41.2 -5.9 -19.2 -5.2 69 299 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.888 109.3 48.8 -61.5 -43.7 -7.2 -19.4 -1.6 70 300 B M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 6,-0.3 0.914 109.5 51.1 -62.6 -42.7 -10.0 -21.8 -2.5 71 301 B G H X>S+ 0 0 5 -4,-2.1 5,-1.7 1,-0.2 4,-0.9 0.909 114.2 46.0 -62.4 -39.2 -7.6 -24.1 -4.4 72 302 B L H ><5S+ 0 0 56 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.952 113.8 45.7 -66.7 -51.6 -5.4 -24.2 -1.4 73 303 B L H 3<5S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.807 121.4 38.5 -63.3 -33.8 -8.1 -24.8 1.2 74 304 B E H 3<5S- 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.489 108.4-120.0 -93.9 -10.9 -9.8 -27.5 -0.9 75 305 B G T <<5 + 0 0 67 -4,-0.9 2,-0.5 -3,-0.6 -3,-0.2 0.793 64.7 141.5 69.5 28.3 -6.5 -29.1 -2.2 76 306 B Y < - 0 0 137 -5,-1.7 2,-0.6 -6,-0.3 -1,-0.3 -0.884 52.2-133.9 -95.3 131.5 -7.4 -28.5 -5.8 77 307 B F - 0 0 179 -2,-0.5 -9,-0.0 -3,-0.1 -5,-0.0 -0.780 22.3-149.2 -77.3 119.3 -4.7 -27.4 -8.1 78 308 B V - 0 0 21 -2,-0.6 2,-0.1 -10,-0.1 5,-0.1 -0.868 11.3-136.7 -97.4 115.2 -6.2 -24.5 -10.1 79 309 B P > - 0 0 29 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.396 11.3-128.1 -73.5 145.5 -4.7 -24.4 -13.6 80 310 B L G > S+ 0 0 106 1,-0.3 3,-1.2 2,-0.2 5,-0.2 0.791 107.5 65.4 -62.3 -29.3 -3.8 -20.9 -14.9 81 311 B H G 3 S+ 0 0 165 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.642 92.3 65.7 -67.5 -12.9 -5.8 -21.6 -18.0 82 312 B S G < S+ 0 0 55 -3,-1.7 -1,-0.2 17,-0.0 2,-0.2 0.613 113.4 6.5 -84.4 -15.4 -9.0 -21.6 -15.8 83 313 B F S < S- 0 0 15 -3,-1.2 2,-0.7 -4,-0.3 9,-0.0 -0.802 84.4 -84.5-150.8-171.9 -8.8 -17.9 -14.8 84 314 B F - 0 0 80 8,-0.3 -3,-0.1 -2,-0.2 12,-0.1 -0.898 28.1-176.1-113.0 105.1 -7.0 -14.6 -15.3 85 315 B L S S+ 0 0 89 -2,-0.7 -1,-0.2 1,-0.3 -21,-0.1 0.848 89.6 29.5 -66.2 -35.4 -3.9 -14.3 -13.2 86 316 B T S S- 0 0 122 -22,-0.0 -1,-0.3 6,-0.0 2,-0.1 -0.708 86.9-164.4-123.7 75.8 -3.3 -10.7 -14.4 87 317 B P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 -23,-0.0 -0.390 12.9-177.5 -68.8 140.3 -6.8 -9.3 -15.1 88 318 B D + 0 0 132 -2,-0.1 2,-0.3 1,-0.0 3,-0.1 0.248 60.7 43.8-122.5 8.5 -6.9 -6.1 -17.2 89 319 B S S > S- 0 0 42 1,-0.1 4,-1.9 0, 0.0 5,-0.2 -0.978 82.6-108.9-148.3 160.0 -10.6 -5.4 -17.3 90 320 B F H > S+ 0 0 97 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.923 119.1 52.4 -51.0 -48.7 -13.7 -5.2 -15.1 91 321 B E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 105.7 52.1 -65.0 -38.0 -15.0 -8.4 -16.9 92 322 B Q H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -8,-0.3 0.916 112.0 47.8 -60.5 -40.6 -11.9 -10.4 -16.3 93 323 B K H X S+ 0 0 72 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 110.8 50.5 -67.2 -40.3 -12.1 -9.6 -12.6 94 324 B V H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.904 109.7 51.5 -62.8 -40.8 -15.8 -10.5 -12.5 95 325 B L H X S+ 0 0 90 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.904 109.3 50.1 -63.4 -42.9 -15.0 -13.8 -14.2 96 326 B N H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 112.7 46.5 -56.4 -52.2 -12.3 -14.5 -11.6 97 327 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.927 111.5 51.1 -59.0 -48.8 -14.7 -13.7 -8.7 98 328 B S H X S+ 0 0 45 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.885 110.8 49.2 -54.4 -42.3 -17.5 -15.9 -10.3 99 329 B F H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.904 109.2 51.9 -67.1 -39.7 -15.0 -18.8 -10.6 100 330 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.924 109.4 50.3 -61.0 -40.1 -13.9 -18.3 -7.0 101 331 B F H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 109.1 52.1 -63.4 -42.5 -17.7 -18.5 -6.0 102 332 B E H X S+ 0 0 109 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 108.9 49.6 -55.9 -48.4 -18.0 -21.7 -8.1 103 333 B L H X S+ 0 0 10 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.889 106.7 56.3 -60.7 -40.6 -15.0 -23.2 -6.2 104 334 B M H ><>S+ 0 0 2 -4,-2.4 5,-2.1 2,-0.2 3,-0.5 0.934 108.9 45.7 -55.0 -46.6 -16.7 -22.2 -2.9 105 335 B Q H ><5S+ 0 0 92 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.888 108.5 56.2 -68.3 -34.5 -19.8 -24.2 -3.8 106 336 B D H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.5 55.6 -61.8 -25.6 -17.5 -27.1 -5.0 107 337 B G T <<5S- 0 0 33 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.469 128.4-101.0 -83.5 -4.9 -16.1 -26.9 -1.4 108 338 B G T < 5S+ 0 0 59 -3,-1.5 2,-0.2 1,-0.4 -3,-0.2 0.644 79.1 133.8 93.9 8.5 -19.6 -27.4 0.0 109 339 B L < - 0 0 13 -5,-2.1 -1,-0.4 -6,-0.1 2,-0.1 -0.577 58.7-110.8 -79.3 155.2 -20.3 -23.7 0.9 110 340 B E - 0 0 163 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.345 51.3 -67.5 -80.8 170.1 -23.7 -22.3 -0.1 111 341 B K - 0 0 165 1,-0.1 -1,-0.2 -2,-0.1 -9,-0.1 -0.405 62.0-110.5 -59.5 127.2 -24.1 -19.7 -2.8 112 342 B P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 -0.242 15.5-130.8 -58.6 148.6 -22.5 -16.4 -1.6 113 343 B K S S+ 0 0 121 13,-0.1 13,-0.1 -3,-0.1 -2,-0.0 0.920 83.9 71.8 -66.4 -47.3 -24.9 -13.5 -0.9 114 344 B P S S- 0 0 11 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.279 84.4-116.9 -71.8 155.9 -23.0 -10.8 -2.9 115 345 B R >> - 0 0 128 1,-0.1 4,-1.0 0, 0.0 3,-0.9 -0.552 30.8-112.9 -77.6 154.6 -22.8 -10.7 -6.7 116 346 B P H >> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.6 0.888 118.6 61.1 -58.5 -34.5 -19.3 -11.1 -8.1 117 347 B E H 3> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 6,-0.1 0.799 95.0 61.3 -57.8 -34.3 -19.6 -7.4 -9.3 118 348 B D H <4>S+ 0 0 42 -3,-0.9 5,-2.4 2,-0.2 -1,-0.2 0.873 106.5 45.7 -62.9 -38.7 -19.9 -6.3 -5.6 119 349 B I H X<5S+ 0 0 2 -4,-1.0 3,-1.7 -3,-0.6 -2,-0.2 0.909 111.4 51.2 -68.0 -43.2 -16.5 -7.8 -4.8 120 350 B V H 3<5S+ 0 0 18 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.846 107.7 55.1 -64.0 -31.6 -14.9 -6.2 -7.9 121 351 B N T 3<5S- 0 0 100 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.288 115.6-116.8 -84.3 6.7 -16.4 -2.9 -6.8 122 352 B C T < 5 + 0 0 54 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.806 46.4 175.0 61.4 32.5 -14.7 -3.2 -3.4 123 353 B D >< - 0 0 73 -5,-2.4 4,-2.4 1,-0.2 -1,-0.2 -0.618 20.0-154.5 -66.8 112.0 -18.0 -3.3 -1.4 124 354 B L H > S+ 0 0 34 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.890 89.0 52.0 -62.9 -42.2 -16.6 -3.9 2.1 125 355 B K H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 111.8 47.8 -62.0 -39.5 -19.7 -5.6 3.5 126 356 B S H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 111.7 50.2 -63.4 -46.0 -19.7 -8.1 0.5 127 357 B T H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 112.1 47.3 -59.6 -44.2 -16.0 -8.7 1.0 128 358 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.887 109.6 52.9 -65.7 -41.6 -16.4 -9.4 4.7 129 359 B R H X S+ 0 0 25 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.926 112.1 46.0 -59.9 -46.2 -19.4 -11.7 4.1 130 360 B V H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.939 116.1 43.8 -63.7 -47.8 -17.4 -13.8 1.6 131 361 B L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.872 111.3 54.9 -68.9 -35.2 -14.3 -14.0 3.8 132 362 B Y H X S+ 0 0 47 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.912 104.4 53.3 -63.5 -42.7 -16.3 -14.8 7.0 133 363 B N H X S+ 0 0 66 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.872 111.1 47.0 -62.1 -33.5 -18.0 -17.7 5.3 134 364 B L H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.924 110.0 55.1 -67.0 -45.5 -14.6 -19.1 4.4 135 365 B F H X S+ 0 0 19 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.908 109.2 44.0 -54.3 -50.5 -13.4 -18.5 8.0 136 366 B T H < S+ 0 0 41 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.887 118.9 44.1 -68.3 -35.3 -16.2 -20.5 9.7 137 367 B K H < S+ 0 0 120 -4,-1.4 3,-0.3 -5,-0.3 -2,-0.2 0.913 127.1 27.7 -71.5 -44.6 -15.9 -23.4 7.3 138 368 B Y H >< S+ 0 0 27 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.164 80.2 117.8-107.7 18.8 -12.1 -23.6 7.2 139 369 B R T 3< S+ 0 0 76 -4,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.758 77.1 50.8 -62.3 -27.3 -11.1 -22.2 10.6 140 370 B N T 3 S+ 0 0 141 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.493 77.7 117.2 -89.1 -5.9 -9.5 -25.5 11.7 141 371 B V < 0 0 54 -3,-1.6 -3,-0.0 1,-0.1 -68,-0.0 -0.505 360.0 360.0 -67.8 123.5 -7.2 -26.0 8.6 142 372 B E 0 0 194 -2,-0.3 -1,-0.1 -97,-0.0 -2,-0.1 -0.434 360.0 360.0 -74.8 360.0 -3.6 -25.9 9.8