==== 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 2VZI . 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 . 139 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 66.2 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.6 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 1 0 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 A > 0 0 82 0, 0.0 4,-1.3 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 -75.4 8.9 -12.8 -17.8 2 2 A T H > + 0 0 69 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.957 360.0 44.8 -67.0 -55.0 10.9 -15.8 -16.5 3 3 A R H > S+ 0 0 174 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.823 109.4 58.4 -55.6 -36.8 13.4 -16.2 -19.4 4 4 A E H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 105.3 48.4 -66.7 -39.5 14.0 -12.4 -19.5 5 5 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.939 112.8 48.5 -62.4 -48.3 15.2 -12.3 -15.9 6 6 A D H X S+ 0 0 40 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.882 113.1 47.6 -59.4 -42.4 17.5 -15.3 -16.5 7 7 A E H X S+ 0 0 110 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.927 112.3 49.3 -64.6 -46.9 18.9 -13.6 -19.6 8 8 A L H X S+ 0 0 21 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.955 111.4 47.8 -56.7 -55.0 19.4 -10.3 -17.9 9 9 A M H X S+ 0 0 6 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.823 112.7 50.5 -56.9 -37.3 21.2 -11.8 -14.9 10 10 A A H < S+ 0 0 64 -4,-1.6 3,-0.5 -5,-0.2 -1,-0.2 0.877 109.8 48.8 -68.3 -41.2 23.5 -13.8 -17.2 11 11 A S H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.742 109.5 52.9 -73.2 -23.9 24.4 -10.7 -19.3 12 12 A L H < 0 0 24 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.615 360.0 360.0 -82.7 -14.9 25.2 -8.7 -16.1 13 13 A S < 0 0 119 -4,-0.5 -3,-0.1 -3,-0.5 -2,-0.0 0.320 360.0 360.0 -91.7 360.0 27.6 -11.5 -15.0 14 !* 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 15 247 B R 0 0 241 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.0 30.5 -7.3 -6.4 16 248 B D > - 0 0 31 -3,-0.0 4,-1.6 1,-0.0 3,-0.4 -0.192 360.0 -78.3 -95.4-167.8 27.9 -9.6 -7.9 17 249 B A H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.743 127.0 62.3 -67.3 -25.1 25.4 -9.1 -10.8 18 250 B F H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 103.3 48.5 -69.3 -34.4 23.1 -7.2 -8.4 19 251 B D H > S+ 0 0 17 -3,-0.4 4,-2.1 2,-0.2 5,-0.3 0.894 112.5 49.2 -67.3 -41.0 25.8 -4.5 -7.9 20 252 B T H X>S+ 0 0 46 -4,-1.6 4,-2.8 2,-0.2 5,-0.8 0.898 110.4 52.2 -61.8 -42.6 26.1 -4.4 -11.7 21 253 B L H X5S+ 0 0 0 -4,-2.6 4,-1.4 3,-0.2 7,-0.2 0.943 114.1 40.0 -59.5 -52.3 22.3 -4.1 -12.1 22 254 B F H <5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 124.3 38.3 -69.0 -36.0 22.0 -1.2 -9.7 23 255 B D H <5S+ 0 0 88 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.883 134.2 15.9 -80.1 -41.0 25.1 0.7 -10.9 24 256 B H H <5S+ 0 0 148 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.682 134.0 26.2-115.8 -24.7 25.0 -0.0 -14.6 25 257 B A ><< + 0 0 16 -4,-1.4 3,-2.1 -5,-0.8 -3,-0.1 -0.206 63.5 144.8-135.7 47.6 21.5 -1.2 -15.7 26 258 B P G > + 0 0 70 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.668 67.1 69.8 -67.9 -16.3 19.0 0.2 -13.1 27 259 B D G 3 S+ 0 0 122 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.514 93.4 59.7 -73.1 -5.5 16.3 0.7 -15.8 28 260 B K G X> S+ 0 0 87 -3,-2.1 4,-1.2 -7,-0.2 3,-0.6 0.364 75.2 96.0-100.5 1.3 16.1 -3.2 -15.9 29 261 B L H <> S+ 0 0 24 -3,-1.2 4,-2.9 1,-0.2 -1,-0.1 0.854 75.4 62.2 -60.2 -36.2 15.1 -3.4 -12.2 30 262 B N H 3> S+ 0 0 109 1,-0.2 4,-2.4 -4,-0.2 5,-0.2 0.847 99.7 54.3 -60.4 -35.7 11.4 -3.6 -13.1 31 263 B V H <> S+ 0 0 32 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.912 112.1 44.1 -60.9 -46.0 12.0 -6.8 -15.0 32 264 B V H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.938 114.8 48.9 -64.2 -49.9 13.6 -8.4 -11.9 33 265 B K H X S+ 0 0 50 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.970 112.6 45.7 -53.6 -64.1 10.9 -7.1 -9.5 34 266 B K H X S+ 0 0 132 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.891 113.5 49.7 -45.8 -51.9 7.9 -8.2 -11.6 35 267 B T H X S+ 0 0 6 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.884 113.4 45.1 -62.2 -42.0 9.4 -11.7 -12.2 36 268 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.816 111.7 54.2 -70.1 -31.2 10.2 -12.3 -8.5 37 269 B I H X S+ 0 0 35 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.948 108.4 47.7 -66.5 -50.7 6.7 -10.9 -7.5 38 270 B T H X S+ 0 0 77 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.909 114.0 50.0 -50.9 -46.3 4.9 -13.4 -9.8 39 271 B F H X S+ 0 0 15 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.942 112.5 43.0 -61.3 -54.2 7.2 -16.2 -8.4 40 272 B V H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 3,-0.4 0.865 115.3 50.9 -63.3 -37.0 6.5 -15.4 -4.7 41 273 B N H X S+ 0 0 16 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.789 97.6 66.2 -71.4 -30.2 2.8 -14.9 -5.3 42 274 B K H < S+ 0 0 95 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.858 117.9 27.1 -55.9 -37.3 2.5 -18.2 -7.1 43 275 B H H >< S+ 0 0 0 -4,-0.9 3,-1.6 -3,-0.4 4,-0.3 0.887 119.8 52.9 -93.5 -47.1 3.3 -19.8 -3.8 44 276 B L H ><>S+ 0 0 0 -4,-3.3 5,-2.1 1,-0.3 3,-1.7 0.804 97.8 68.0 -62.6 -29.8 2.1 -17.2 -1.3 45 277 B N G ><5S+ 0 0 89 -4,-2.4 3,-1.1 1,-0.3 -1,-0.3 0.707 87.2 68.7 -62.4 -21.5 -1.4 -17.2 -2.9 46 278 B K G < 5S+ 0 0 111 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.729 104.0 42.2 -67.4 -23.3 -1.9 -20.8 -1.7 47 279 B L G < 5S- 0 0 77 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.243 124.3-103.4-104.8 10.9 -2.0 -19.4 1.9 48 280 B N T < 5S+ 0 0 157 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.762 81.4 133.7 68.8 29.2 -4.2 -16.4 0.9 49 281 B L < - 0 0 38 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.817 35.1-168.3-111.6 148.8 -1.2 -14.1 1.1 50 282 B E - 0 0 114 -2,-0.3 2,-0.5 -3,-0.1 -9,-0.0 -0.995 14.1-155.9-141.7 146.6 -0.1 -11.5 -1.4 51 283 B V + 0 0 1 -2,-0.3 3,-0.1 -14,-0.2 -10,-0.1 -0.978 20.3 161.3-118.6 125.9 3.0 -9.3 -2.2 52 284 B T S S+ 0 0 95 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.489 74.8 38.8-111.2 -8.4 2.6 -6.1 -4.1 53 285 B E >> - 0 0 92 1,-0.1 4,-1.8 -16,-0.1 3,-0.6 -0.902 52.1-171.4-154.3 106.7 5.9 -4.6 -3.0 54 286 B L T 34 S+ 0 0 1 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.680 83.7 72.5 -72.5 -20.3 9.3 -6.4 -2.6 55 287 B E T 34 S+ 0 0 61 1,-0.1 -1,-0.2 2,-0.1 70,-0.1 0.807 119.1 5.3 -66.3 -33.3 10.8 -3.3 -1.0 56 288 B T T X4 S+ 0 0 73 -3,-0.6 3,-1.4 2,-0.1 4,-0.3 0.693 111.1 77.2-121.0 -32.4 8.9 -3.5 2.3 57 289 B Q T 3< S+ 0 0 57 -4,-1.8 6,-0.4 1,-0.3 -3,-0.1 0.417 96.9 45.7 -80.7 1.2 6.8 -6.7 2.5 58 290 B F T > S+ 0 0 1 -4,-0.4 3,-1.4 59,-0.1 -1,-0.3 0.440 86.2 92.6-111.1 -5.8 9.6 -9.1 3.3 59 291 B A T < S+ 0 0 12 -3,-1.4 36,-0.2 1,-0.3 -2,-0.1 0.782 80.5 55.0 -62.7 -32.4 11.3 -7.0 6.0 60 292 B D T 3 S- 0 0 56 -4,-0.3 -1,-0.3 34,-0.1 34,-0.2 0.482 103.5-128.5 -83.3 -1.4 9.5 -8.5 9.0 61 293 B G S <> S+ 0 0 0 -3,-1.4 4,-1.8 33,-0.1 5,-0.2 0.254 78.7 110.4 77.8 -12.4 10.5 -12.1 8.0 62 294 B V H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.967 79.9 41.4 -61.0 -55.6 7.0 -13.6 8.1 63 295 B Y H > S+ 0 0 53 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.824 112.5 55.9 -64.3 -31.0 6.5 -14.1 4.3 64 296 B L H > S+ 0 0 2 -6,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.866 109.6 46.2 -68.7 -39.6 10.1 -15.4 3.9 65 297 B V H X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.3 -2,-0.2 0.924 114.3 46.6 -64.4 -49.1 9.5 -18.1 6.6 66 298 B L H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.859 108.1 57.1 -64.4 -36.3 6.1 -19.2 5.1 67 299 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.841 102.9 54.1 -63.9 -36.5 7.6 -19.3 1.6 68 300 B M H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.904 107.8 49.8 -65.3 -41.7 10.2 -21.8 2.8 69 301 B G H X>S+ 0 0 6 -4,-1.5 5,-2.4 1,-0.2 4,-0.9 0.901 113.8 47.5 -57.2 -42.9 7.4 -24.0 4.1 70 302 B L H <5S+ 0 0 30 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.836 116.3 41.9 -66.8 -38.4 5.7 -23.7 0.7 71 303 B L H <5S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.866 121.8 37.5 -83.0 -40.0 8.8 -24.4 -1.3 72 304 B E H <5S- 0 0 77 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.575 113.0-119.0 -86.4 -11.8 10.3 -27.3 0.7 73 305 B G T <5 + 0 0 66 -4,-0.9 2,-0.3 -5,-0.3 -3,-0.2 0.949 67.4 116.3 75.7 52.4 6.8 -28.6 1.3 74 306 B Y < - 0 0 78 -5,-2.4 2,-0.6 -6,-0.1 -1,-0.2 -0.987 65.4-111.8-142.3 154.3 6.3 -28.6 5.1 75 307 B F - 0 0 202 -2,-0.3 -9,-0.0 -5,-0.0 -5,-0.0 -0.765 31.1-139.1 -83.3 122.5 4.0 -26.8 7.6 76 308 B V - 0 0 22 -2,-0.6 5,-0.1 -10,-0.1 2,-0.0 -0.747 19.3-126.3 -84.0 116.7 6.0 -24.3 9.7 77 309 B P > - 0 0 77 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.367 11.8-133.8 -62.7 139.8 4.8 -24.4 13.3 78 310 B L G > S+ 0 0 98 1,-0.3 3,-1.4 2,-0.2 5,-0.3 0.764 101.9 64.7 -70.5 -25.4 3.9 -21.0 14.6 79 311 B H G 3 S+ 0 0 189 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.663 91.4 67.9 -68.3 -16.5 5.8 -21.4 17.9 80 312 B S G < S+ 0 0 61 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.481 113.4 9.5 -82.4 -4.8 9.0 -21.6 15.8 81 313 B F S < S- 0 0 15 -3,-1.4 2,-0.7 -4,-0.1 13,-0.1 -0.900 84.6 -85.2-157.5-175.2 8.8 -17.9 14.8 82 314 B F + 0 0 80 8,-0.3 -3,-0.1 -2,-0.3 12,-0.1 -0.882 29.1 179.3-110.3 100.5 7.0 -14.6 15.2 83 315 B L S S+ 0 0 85 -2,-0.7 -1,-0.2 1,-0.3 -21,-0.1 0.824 89.0 30.6 -66.6 -34.8 3.8 -14.3 13.2 84 316 B T S S- 0 0 122 -22,-0.0 -1,-0.3 6,-0.0 2,-0.2 -0.701 86.6-163.9-123.7 76.9 3.2 -10.8 14.6 85 317 B P - 0 0 20 0, 0.0 3,-0.0 0, 0.0 -23,-0.0 -0.440 12.2-177.8 -68.9 133.9 6.7 -9.3 15.2 86 318 B D + 0 0 129 -2,-0.2 2,-0.3 1,-0.0 3,-0.1 0.339 62.2 41.6-114.8 -0.4 6.6 -6.3 17.5 87 319 B S S > S- 0 0 45 1,-0.1 4,-1.6 0, 0.0 5,-0.1 -0.960 81.9-111.3-143.4 161.3 10.3 -5.4 17.6 88 320 B F H > S+ 0 0 97 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.880 118.2 53.9 -53.3 -43.2 13.3 -5.2 15.3 89 321 B E H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 105.3 51.2 -67.0 -38.2 14.8 -8.2 17.2 90 322 B Q H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -8,-0.3 0.860 111.1 49.5 -65.3 -35.2 11.8 -10.4 16.6 91 323 B K H X S+ 0 0 72 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.913 109.6 51.5 -68.4 -43.0 11.9 -9.5 12.9 92 324 B V H X S+ 0 0 6 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.920 107.7 52.8 -55.9 -46.8 15.6 -10.4 12.8 93 325 B L H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.857 107.7 51.4 -62.4 -37.7 14.9 -13.7 14.4 94 326 B N H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.935 112.1 45.8 -60.4 -46.2 12.3 -14.5 11.7 95 327 B V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 112.3 50.4 -65.9 -45.6 14.8 -13.7 8.9 96 328 B S H X S+ 0 0 49 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.865 110.7 51.0 -54.9 -42.4 17.5 -15.7 10.6 97 329 B F H X S+ 0 0 38 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.893 109.6 48.3 -65.8 -41.4 15.0 -18.6 10.9 98 330 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.878 111.4 51.6 -63.5 -36.8 14.1 -18.4 7.2 99 331 B F H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.882 108.4 51.6 -65.7 -40.7 17.9 -18.3 6.3 100 332 B E H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.890 109.9 48.5 -60.5 -43.6 18.3 -21.4 8.5 101 333 B L H X S+ 0 0 15 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.829 108.4 54.9 -69.2 -33.4 15.5 -23.1 6.6 102 334 B M H ><>S+ 0 0 4 -4,-2.0 5,-2.0 2,-0.2 3,-0.6 0.940 110.5 45.1 -60.2 -49.4 17.1 -22.1 3.3 103 335 B Q H ><5S+ 0 0 87 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.844 107.4 58.6 -64.5 -33.4 20.4 -23.8 4.4 104 336 B D H 3<5S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 104.0 53.8 -62.5 -29.6 18.4 -26.8 5.5 105 337 B G T <<5S- 0 0 14 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.455 130.9 -94.0 -84.9 -4.2 17.1 -27.1 1.9 106 338 B G T < 5S+ 0 0 54 -3,-1.2 -3,-0.2 1,-0.4 -2,-0.1 0.364 81.0 135.5 110.2 -6.4 20.7 -27.1 0.6 107 339 B L < - 0 0 33 -5,-2.0 -1,-0.4 -6,-0.1 2,-0.1 -0.402 57.1-113.5 -67.8 149.7 21.1 -23.4 -0.2 108 340 B E - 0 0 174 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.424 52.6 -66.9 -80.4 162.8 24.4 -21.9 0.9 109 341 B K - 0 0 163 -2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 -0.281 63.2-108.8 -52.2 121.7 24.5 -19.2 3.6 110 342 B P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 -0.198 20.0-129.7 -52.1 147.8 22.7 -16.1 2.3 111 343 B K S S+ 0 0 146 13,-0.1 13,-0.1 -3,-0.1 -2,-0.1 0.934 83.4 68.9 -67.2 -50.4 25.0 -13.2 1.5 112 344 B P S S- 0 0 13 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.274 86.6-111.5 -70.3 157.6 23.1 -10.4 3.5 113 345 B R > - 0 0 165 1,-0.1 4,-0.9 4,-0.0 3,-0.5 -0.445 30.8-114.3 -69.9 156.1 22.8 -10.2 7.2 114 346 B P H > S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.818 119.0 61.3 -59.5 -28.7 19.3 -10.8 8.5 115 347 B E H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 6,-0.1 0.795 94.0 60.6 -67.9 -32.9 19.4 -7.1 9.6 116 348 B D H 4>S+ 0 0 51 -3,-0.5 5,-2.7 2,-0.2 -1,-0.2 0.848 106.8 46.7 -61.8 -37.4 19.8 -6.0 5.9 117 349 B I H ><5S+ 0 0 2 -4,-0.9 3,-1.6 -3,-0.3 -2,-0.2 0.918 113.0 47.5 -69.0 -47.2 16.4 -7.6 5.1 118 350 B V H 3<5S+ 0 0 16 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.831 108.5 57.2 -61.3 -32.5 14.8 -6.1 8.2 119 351 B N T 3<5S- 0 0 110 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.362 116.0-117.7 -81.4 5.0 16.4 -2.7 7.1 120 352 B C T < 5 + 0 0 56 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.817 47.2 173.3 62.0 34.5 14.6 -3.0 3.7 121 353 B D >< - 0 0 69 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.667 20.1-156.3 -72.7 116.4 17.9 -3.2 1.7 122 354 B L H > S+ 0 0 36 -2,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.862 88.0 53.3 -68.3 -40.7 16.5 -3.9 -1.8 123 355 B K H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 112.0 47.3 -54.7 -50.2 19.6 -5.5 -3.2 124 356 B S H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.878 112.5 48.8 -59.8 -42.0 19.7 -7.9 -0.2 125 357 B T H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.923 112.0 49.5 -67.1 -41.1 16.0 -8.6 -0.7 126 358 B L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.872 109.9 50.9 -64.5 -39.4 16.5 -9.3 -4.4 127 359 B R H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.922 111.5 46.4 -63.6 -49.5 19.4 -11.7 -3.8 128 360 B V H X S+ 0 0 6 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.965 116.6 44.6 -58.0 -52.8 17.6 -13.8 -1.3 129 361 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.869 111.8 52.5 -63.6 -37.7 14.4 -14.0 -3.5 130 362 B Y H X S+ 0 0 38 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.881 106.4 52.7 -65.5 -39.9 16.4 -14.7 -6.7 131 363 B N H X S+ 0 0 66 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.801 111.5 46.8 -67.8 -30.1 18.3 -17.6 -5.1 132 364 B L H X S+ 0 0 1 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.895 110.2 54.9 -70.7 -43.9 14.9 -19.1 -4.1 133 365 B F H < S+ 0 0 5 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.901 112.5 41.2 -53.9 -47.2 13.7 -18.4 -7.6 134 366 B T H < S+ 0 0 54 -4,-2.5 3,-0.4 2,-0.2 -1,-0.2 0.863 119.0 44.8 -75.3 -36.7 16.6 -20.4 -9.2 135 367 B K H < S+ 0 0 94 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.919 124.6 32.1 -68.8 -42.7 16.5 -23.2 -6.7 136 368 B Y S >< S+ 0 0 12 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.034 75.5 125.6-112.4 26.8 12.7 -23.6 -6.7 137 369 B R T 3 S+ 0 0 86 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.771 77.3 48.1 -50.8 -35.4 11.9 -22.7 -10.3 138 370 B N T 3 S+ 0 0 144 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.507 76.8 118.6 -93.2 -6.3 10.0 -26.0 -10.8 139 371 B V < 0 0 40 -3,-1.4 -67,-0.0 1,-0.1 -3,-0.0 -0.462 360.0 360.0 -64.3 124.1 7.8 -26.1 -7.7 140 372 B E 0 0 191 -2,-0.3 -1,-0.1 -69,-0.1 -2,-0.1 -0.486 360.0 360.0 -78.5 360.0 4.2 -26.1 -8.8