==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 04-DEC-07 3BJI . COMPND 2 MOLECULE: PROTO-ONCOGENE VAV; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.CHRENCIK,A.BROOUN,P.KUHN,ACCELERATED TECHNOLOGIES CENTER . 1081 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 58 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 2 2 6 2 6 1 1 0 0 1 1 0 1 1 1 0 2 0 0 0 0 0 1 1 2 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 3 1 2 5 2 3 2 2 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 2 0 0 2 1 1 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 1 189 A M 0 0 128 0, 0.0 2,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 112.6 -5.9 67.6 106.7 2 190 A T > - 0 0 80 1,-0.1 4,-2.0 156,-0.0 5,-0.1 -0.224 360.0-108.1 -72.7 174.9 -2.3 68.7 106.2 3 191 A E H > S+ 0 0 102 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.854 128.2 54.2 -66.1 -36.9 0.2 67.1 103.8 4 192 A Y H > S+ 0 0 134 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.872 108.6 46.3 -63.7 -36.9 1.7 66.0 107.1 5 193 A D H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.916 114.4 48.2 -68.0 -45.1 -1.7 64.5 108.2 6 194 A K H X S+ 0 0 21 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.872 107.9 55.8 -58.0 -41.0 -2.1 62.9 104.8 7 195 A R H X S+ 0 0 15 -4,-2.9 4,-0.9 151,-0.2 -1,-0.2 0.853 110.4 45.8 -62.0 -27.7 1.5 61.5 105.1 8 196 A C H X S+ 0 0 50 -4,-1.1 4,-0.7 -3,-0.3 -2,-0.2 0.665 103.4 61.7-101.1 -22.6 0.5 59.9 108.4 9 197 A C H X S+ 0 0 32 -4,-1.9 4,-0.9 2,-0.1 -1,-0.2 0.742 109.1 42.6 -63.8 -29.0 -2.6 58.4 107.2 10 198 A C H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.632 101.5 61.2 -96.5 -7.7 -0.8 56.4 104.6 11 199 A L H X S+ 0 0 14 -4,-0.9 4,-1.6 2,-0.2 -3,-0.1 0.824 110.5 49.3 -66.3 -34.4 2.1 55.1 106.6 12 200 A R H X S+ 0 0 94 -4,-0.7 4,-3.0 2,-0.2 5,-0.3 0.901 106.9 53.9 -57.6 -50.8 -0.8 53.6 108.6 13 201 A E H X S+ 0 0 17 -4,-0.9 4,-2.2 1,-0.2 5,-0.4 0.920 107.3 50.6 -52.8 -46.2 -2.3 52.4 105.3 14 202 A I H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.916 114.7 44.1 -58.8 -42.3 1.0 50.6 104.5 15 203 A Q H X S+ 0 0 49 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.887 115.9 44.1 -73.0 -40.3 1.0 49.0 108.0 16 204 A Q H X S+ 0 0 79 -4,-3.0 4,-3.3 2,-0.2 -2,-0.2 0.885 114.6 46.8 -77.8 -41.4 -2.6 47.9 108.1 17 205 A T H X S+ 0 0 21 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.874 114.7 48.8 -65.0 -38.4 -2.9 46.5 104.6 18 206 A E H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.4 5,-0.3 0.914 111.6 49.6 -66.3 -44.2 0.4 44.7 105.2 19 207 A E H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.968 112.5 47.0 -52.2 -54.9 -1.0 43.4 108.5 20 208 A K H X S+ 0 0 53 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.922 110.8 54.8 -57.9 -40.7 -4.2 42.3 106.6 21 209 A Y H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.938 108.0 44.6 -59.9 -52.6 -2.0 40.7 103.9 22 210 A T H X S+ 0 0 15 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.873 111.4 57.5 -60.3 -34.3 0.1 38.5 106.3 23 211 A D H X S+ 0 0 62 -4,-2.2 4,-3.0 -5,-0.3 -2,-0.2 0.962 107.0 46.7 -55.7 -55.5 -3.2 37.6 108.0 24 212 A T H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.910 112.4 49.8 -52.0 -49.7 -4.7 36.3 104.6 25 213 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 3,-0.3 0.974 111.0 49.6 -57.7 -51.7 -1.5 34.3 103.9 26 214 A G H X S+ 0 0 17 -4,-3.1 4,-1.9 1,-0.3 5,-0.2 0.904 110.3 52.2 -50.6 -44.4 -1.7 32.9 107.5 27 215 A S H X S+ 0 0 23 -4,-3.0 4,-2.6 1,-0.2 -1,-0.3 0.896 106.5 51.8 -59.2 -44.8 -5.3 32.0 106.7 28 216 A I H <>S+ 0 0 0 -4,-2.5 5,-1.8 -3,-0.3 4,-0.4 0.893 113.3 46.0 -63.0 -36.9 -4.4 30.2 103.5 29 217 A Q H <>S+ 0 0 43 -4,-2.2 5,-2.2 -5,-0.2 -1,-0.2 0.882 122.3 33.2 -69.1 -33.2 -1.9 28.1 105.3 30 218 A Q H <5S+ 0 0 97 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.814 122.9 35.1-104.8 -39.6 -4.0 27.3 108.3 31 219 A H T <5S+ 0 0 33 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.1 0.251 133.5 19.0 -99.1 12.1 -7.6 26.9 107.2 32 220 A F T >5S+ 0 0 0 -4,-0.4 4,-1.8 -5,-0.2 -3,-0.2 0.542 121.0 40.5-144.8 -63.0 -6.8 25.5 103.9 33 221 A L H >44 S+ 0 0 29 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.964 113.0 50.6 -56.2 -54.4 -6.5 20.6 106.5 36 224 A L H >X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.3 3,-0.9 0.574 92.9 79.3 -63.3 -4.3 -6.4 19.7 102.9 37 225 A Q T << S+ 0 0 108 -4,-0.8 -1,-0.3 -3,-0.5 -3,-0.1 0.725 91.0 56.1 -51.5 -21.5 -3.0 17.9 103.6 38 226 A R T <4 S+ 0 0 80 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.326 113.0 32.0-144.4 -30.1 -5.0 15.4 104.8 39 227 A F T <4 S+ 0 0 79 -3,-0.9 -2,-0.2 -4,-0.2 2,-0.2 0.664 113.6 61.4-103.8 -40.5 -7.2 14.5 101.9 40 228 A L S < S- 0 0 15 -4,-2.4 5,-0.0 1,-0.1 3,-0.0 -0.502 80.8-113.3 -98.4 159.9 -4.8 15.4 99.0 41 229 A K >> - 0 0 73 -2,-0.2 4,-1.1 1,-0.1 3,-1.0 -0.597 34.2-106.0 -89.9 151.2 -1.4 14.0 98.0 42 230 A P H >> S+ 0 0 103 0, 0.0 4,-3.2 0, 0.0 3,-1.2 0.854 117.5 55.9 -36.4 -56.6 1.8 16.0 98.2 43 231 A Q H 3> S+ 0 0 132 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.906 108.5 48.3 -43.0 -49.3 2.1 16.5 94.4 44 232 A D H <> S+ 0 0 32 -3,-1.0 4,-1.0 1,-0.2 -1,-0.3 0.679 113.4 46.1 -75.2 -18.6 -1.4 18.1 94.3 45 233 A I H < S- 0 0 6 -4,-2.7 3,-2.5 1,-0.2 4,-0.2 0.486 80.3-175.4-100.7 1.0 -0.4 26.2 96.8 50 238 A I T 3< S- 0 0 22 -4,-0.8 -1,-0.2 1,-0.3 3,-0.2 -0.117 70.2 -27.2 44.5-123.2 2.8 27.1 94.9 51 239 A N T 3> S+ 0 0 7 1,-0.1 4,-1.8 40,-0.1 -1,-0.3 -0.123 95.3 128.8-110.3 43.4 5.2 28.9 97.2 52 240 A I H <> + 0 0 4 -3,-2.5 4,-2.1 1,-0.2 5,-0.2 0.923 69.3 54.3 -68.9 -43.0 2.6 30.3 99.5 53 241 A E H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 109.3 49.3 -53.3 -46.3 4.2 29.1 102.7 54 242 A D H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.876 106.9 55.0 -60.8 -38.2 7.4 30.8 101.7 55 243 A L H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.895 105.9 53.9 -60.7 -39.5 5.5 34.1 100.9 56 244 A L H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.918 110.4 45.4 -60.8 -47.1 4.2 33.8 104.5 57 245 A R H X S+ 0 0 97 -4,-1.9 4,-1.6 2,-0.2 5,-0.2 0.902 112.9 50.2 -61.0 -47.5 7.8 33.6 105.9 58 246 A V H X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.960 114.2 43.9 -56.5 -50.8 9.0 36.4 103.7 59 247 A H H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.793 107.7 55.5 -75.3 -29.4 6.2 38.8 104.7 60 248 A T H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.974 112.0 44.9 -66.9 -48.3 6.1 38.1 108.4 61 249 A H H X S+ 0 0 107 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.864 115.1 50.0 -53.0 -39.7 9.9 39.0 108.7 62 250 A F H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.854 106.9 52.7 -71.8 -38.1 9.1 42.0 106.4 63 251 A L H X S+ 0 0 20 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.894 109.5 50.9 -62.7 -41.1 6.2 43.1 108.6 64 252 A K H X S+ 0 0 55 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.998 112.4 45.5 -54.4 -69.2 8.6 43.0 111.6 65 253 A E H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.860 114.5 48.6 -31.4 -59.3 11.1 45.1 109.7 66 254 A M H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.904 111.3 49.9 -58.7 -46.2 8.4 47.5 108.6 67 255 A K H X S+ 0 0 91 -4,-2.7 4,-3.3 -3,-0.3 5,-0.4 0.968 112.5 45.5 -56.3 -59.8 6.9 47.8 112.1 68 256 A E H X S+ 0 0 120 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.930 115.8 48.0 -49.2 -53.7 10.3 48.6 113.8 69 257 A A H < S+ 0 0 9 -4,-2.6 6,-0.4 -5,-0.3 8,-0.4 0.926 116.8 40.1 -54.7 -52.9 11.2 51.1 111.1 70 258 A L H <>S+ 0 0 23 -4,-2.9 5,-0.8 -5,-0.2 -2,-0.2 0.947 126.3 35.3 -67.3 -45.9 7.9 53.0 111.1 71 259 A G H <5S+ 0 0 43 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.899 120.3 42.6 -77.1 -45.0 7.5 52.9 114.9 72 260 A T T <5S+ 0 0 81 -4,-3.3 -3,-0.2 -5,-0.4 -2,-0.1 1.000 114.0 43.7 -72.3 -72.9 11.1 53.2 116.2 73 261 A P T 5S- 0 0 48 0, 0.0 2,-1.4 0, 0.0 0, 0.0 -0.061 105.2 -94.5 -47.8 168.7 12.6 55.9 113.9 74 262 A G T 5S- 0 0 73 1,-0.1 -3,-0.1 371,-0.0 -4,-0.1 -0.540 82.1 -78.2 -76.9 60.1 10.6 59.1 113.0 75 263 A A S > S+ 0 0 2 -3,-1.3 3,-2.6 1,-0.2 4,-1.1 0.971 71.1 58.2 -64.8 -55.9 11.3 53.0 105.8 79 267 A Y H 3> S+ 0 0 2 -3,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.831 101.9 59.2 -37.6 -42.2 12.7 53.2 102.3 80 268 A Q H 3> S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.623 94.7 58.9 -77.3 -14.9 15.4 50.7 103.4 81 269 A V H <> S+ 0 0 8 -3,-2.6 4,-1.1 -4,-0.5 -1,-0.2 0.914 111.8 43.8 -70.8 -45.0 13.0 47.9 104.4 82 270 A F H >X S+ 0 0 1 -4,-1.1 4,-1.4 1,-0.2 3,-0.9 0.953 113.6 48.2 -61.9 -55.4 11.7 47.9 100.8 83 271 A I H 3< S+ 0 0 67 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.879 110.9 53.9 -53.2 -38.3 15.1 48.2 99.2 84 272 A K H 3< S+ 0 0 139 -4,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.787 112.8 41.5 -70.0 -26.2 16.3 45.3 101.4 85 273 A Y H 4 S+ 0 0 110 -4,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.799 110.3 56.8 -86.2 -26.3 15.3 40.5 95.5 88 276 A R G >4 S+ 0 0 102 -3,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.761 101.2 63.8 -67.2 -23.0 13.8 38.2 98.0 89 277 A F G >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.370 73.3 89.4 -79.2 1.3 10.5 39.3 96.4 90 278 A L G X> + 0 0 44 -3,-1.1 3,-3.0 1,-0.3 4,-0.6 0.721 66.9 82.9 -75.3 -20.0 11.4 37.8 93.0 91 279 A V H <> S+ 0 0 29 -3,-0.7 4,-1.7 1,-0.3 -1,-0.3 0.625 77.2 68.8 -45.6 -21.7 9.7 34.7 94.3 92 280 A Y H <> S+ 0 0 2 -3,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.645 85.7 70.9 -73.6 -18.5 6.5 36.4 93.2 93 281 A G H <> S+ 0 0 2 -3,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.944 103.2 38.7 -61.8 -46.8 7.9 35.7 89.7 94 282 A R H X S+ 0 0 131 -4,-0.6 4,-1.2 2,-0.2 3,-0.3 0.957 112.9 56.6 -72.3 -41.7 7.2 32.1 90.1 95 283 A Y H >X S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.3 4,-1.1 0.937 111.5 42.5 -53.4 -54.8 3.9 32.6 92.0 96 284 A C H 3< S+ 0 0 1 -4,-2.6 4,-0.3 1,-0.3 -1,-0.3 0.792 112.1 53.7 -66.0 -26.9 2.4 34.7 89.2 97 285 A S H 3< S+ 0 0 25 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.659 118.9 35.9 -79.7 -11.5 3.8 32.4 86.5 98 286 A Q H S+ 0 0 113 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.902 112.0 42.8 -66.5 -37.2 -3.4 30.0 86.6 101 289 A S H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.658 110.4 56.4 -88.1 -14.8 -2.5 26.4 86.6 102 290 A A H X S+ 0 0 0 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.821 109.6 47.0 -74.1 -36.7 -2.8 26.3 90.3 103 291 A S H X S+ 0 0 27 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.897 112.3 48.1 -64.1 -47.2 -6.3 27.5 89.9 104 292 A K H X S+ 0 0 111 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.875 109.9 52.7 -60.7 -43.6 -7.2 25.1 87.2 105 293 A H H X S+ 0 0 38 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.876 106.2 54.3 -62.2 -36.2 -5.8 22.2 89.2 106 294 A L H X S+ 0 0 10 -4,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.932 106.1 51.7 -64.7 -47.7 -7.9 23.2 92.1 107 295 A D H X S+ 0 0 82 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.913 111.6 49.0 -48.6 -45.8 -11.0 23.1 90.0 108 296 A R H X S+ 0 0 160 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.948 112.8 42.9 -69.9 -53.5 -10.1 19.6 88.8 109 297 A V H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.928 113.9 57.0 -53.3 -41.3 -9.4 18.0 92.2 110 298 A A H < S+ 0 0 17 -4,-2.8 7,-0.5 -5,-0.3 3,-0.4 0.961 111.9 39.1 -53.8 -57.2 -12.6 19.9 93.2 111 299 A A H < S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.2 3,-0.2 0.788 115.9 52.3 -64.9 -32.3 -14.7 18.1 90.5 112 300 A A H < S+ 0 0 84 -4,-2.6 2,-0.5 1,-0.2 -1,-0.2 0.825 116.9 36.1 -74.4 -31.8 -13.0 14.7 91.0 113 301 A R >X - 0 0 94 -4,-2.2 4,-1.8 -3,-0.4 3,-1.0 -0.875 55.4-176.2-135.0 101.0 -13.5 14.6 94.7 114 302 A E H 3> S+ 0 0 151 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.741 87.3 65.0 -73.3 -20.9 -16.6 15.9 96.3 115 303 A D H 3> S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.845 106.6 46.7 -60.6 -31.6 -15.3 15.2 99.8 116 304 A V H <> S+ 0 0 1 -3,-1.0 4,-2.7 -7,-0.2 -2,-0.2 0.902 108.2 53.9 -75.5 -42.5 -12.7 17.8 98.9 117 305 A Q H X S+ 0 0 104 -4,-1.8 4,-1.5 -7,-0.5 -2,-0.2 0.858 110.8 47.6 -57.3 -36.6 -15.4 20.1 97.6 118 306 A M H X S+ 0 0 128 -4,-2.1 4,-3.0 2,-0.2 3,-0.4 0.966 110.8 49.6 -66.2 -54.9 -17.2 19.8 101.0 119 307 A K H X S+ 0 0 8 -4,-2.0 4,-4.2 1,-0.3 -2,-0.2 0.902 106.4 58.1 -54.8 -41.3 -14.0 20.5 102.9 120 308 A L H X S+ 0 0 29 -4,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.897 108.6 44.2 -56.0 -46.5 -13.4 23.5 100.7 121 309 A E H X S+ 0 0 78 -4,-1.5 4,-1.1 -3,-0.4 -1,-0.2 0.956 114.1 50.4 -61.3 -48.6 -16.8 25.0 101.8 122 310 A E H >X S+ 0 0 129 -4,-3.0 4,-2.2 1,-0.2 3,-1.6 0.967 111.1 51.8 -47.8 -57.4 -16.0 24.0 105.4 123 311 A C H 3X S+ 0 0 6 -4,-4.2 4,-0.8 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298 B A H >< S+ 0 0 26 -4,-1.7 3,-1.2 -5,-0.2 7,-0.5 0.979 107.4 39.2 -67.7 -57.1 -30.5 44.6 114.9 485 299 B A H 3< S+ 0 0 98 -4,-2.0 -2,-0.2 1,-0.3 3,-0.2 0.773 112.0 59.0 -67.9 -30.7 -33.4 42.1 115.5 486 300 B A H 3< S+ 0 0 78 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.3 0.741 115.2 34.5 -63.1 -25.6 -35.9 44.6 114.1 487 301 B R S+ 0 0 60 -2,-0.3 4,-3.8 1,-0.2 5,-0.3 0.849 93.4 74.2 -62.1 -36.8 -32.0 42.2 108.7 489 303 B D H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.915 109.9 25.6 -32.2 -58.7 -31.5 45.4 106.7 490 304 B V H > S+ 0 0 2 -3,-0.5 4,-2.8 -7,-0.3 5,-0.3 0.884 115.1 65.0 -83.5 -38.8 -29.1 46.5 109.4 491 305 B Q H X S+ 0 0 46 -4,-3.1 4,-1.7 -7,-0.5 -2,-0.2 0.895 106.9 45.5 -47.9 -43.1 -28.2 43.0 110.6 492 306 B M H X S+ 0 0 108 -4,-3.8 4,-2.5 2,-0.2 3,-0.3 0.977 112.2 47.8 -64.2 -57.9 -26.6 42.4 107.2 493 307 B K H X S+ 0 0 20 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.792 109.6 55.4 -58.3 -29.5 -24.7 45.7 107.0 494 308 B L H X S+ 0 0 28 -4,-2.8 4,-1.8 2,-0.2 -1,-0.3 0.919 108.5 47.5 -67.4 -42.9 -23.4 45.1 110.6 495 309 B E H >< S+ 0 0 61 -4,-1.7 3,-0.9 -3,-0.3 -2,-0.2 0.990 113.3 47.9 -58.3 -56.8 -22.0 41.7 109.5 496 310 B E H >< S+ 0 0 47 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.811 108.3 57.3 -50.2 -37.2 -20.4 43.3 106.4 497 311 B C H >< S+ 0 0 12 -4,-1.8 3,-1.3 -5,-0.3 -1,-0.3 0.855 87.2 73.7 -67.5 -36.0 -19.0 46.0 108.6 498 312 B S G X< S+ 0 0 2 -4,-1.8 6,-1.6 -3,-0.9 3,-1.3 0.409 70.7 95.7 -56.8 -7.2 -17.2 43.5 110.8 499 313 B Q G < S+ 0 0 58 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.140 80.7 53.9 -80.4 21.4 -14.9 43.3 107.9 500 314 B R G < S+ 0 0 21 -3,-1.3 2,-1.4 6,-0.2 -1,-0.3 0.558 97.4 64.3 -75.5 -31.8 -12.9 45.7 109.6 501 315 B A S <>>S- 0 0 8 -3,-1.3 4,-1.8 1,-0.4 2,-1.7 -0.538 122.1-117.1-118.0 55.1 -12.8 43.6 112.6 502 316 B N T 45S+ 0 0 33 -2,-1.4 -1,-0.4 3,-0.2 -4,-0.0 -0.350 80.0 5.5 -67.7 -2.8 -11.4 42.1 110.6 503 317 B N T 45S- 0 0 42 -2,-1.7 -4,-0.2 -3,-0.1 -1,-0.2 -0.104 114.4 -67.8-145.2 51.5 -13.5 39.0 110.2 504 318 B G T 45S+ 0 0 36 -6,-1.6 3,-0.2 2,-0.2 -2,-0.2 0.856 102.7 132.1 53.2 35.3 -16.7 39.0 112.1 505 319 B R T <5S+ 0 0 92 -4,-1.8 2,-0.4 -7,-0.6 -3,-0.2 0.961 71.3 10.9 -75.4 -60.8 -14.0 38.8 114.6 506 320 B F S - 0 0 63 -2,-0.4 4,-2.4 -3,-0.2 3,-0.2 -0.453 31.5-103.2 -85.3 167.5 -18.8 43.0 116.5 508 322 B L H > S+ 0 0 5 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.935 126.0 55.4 -49.1 -46.0 -19.7 46.7 116.9 509 323 B R H 4 S+ 0 0 65 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.877 106.2 48.1 -53.9 -47.5 -21.1 45.7 120.2 510 324 B D H >4 S+ 0 0 43 -3,-0.2 3,-1.1 1,-0.2 4,-0.5 0.863 109.5 55.2 -62.7 -36.9 -17.9 44.1 121.3 511 325 B L H >< S+ 0 0 10 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.872 93.9 68.1 -63.8 -35.5 -16.1 47.3 120.1 512 326 B L T 3< S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.3 -1,-0.2 0.680 95.4 57.6 -64.5 -15.0 -18.2 49.5 122.3 513 327 B M T X> S+ 0 0 25 -3,-1.1 4,-1.9 -4,-0.4 3,-0.8 0.780 84.1 82.4 -77.6 -26.7 -16.6 47.9 125.3 514 328 B V H <> S+ 0 0 30 -3,-1.8 4,-1.9 -4,-0.5 5,-0.2 0.815 85.2 56.3 -58.5 -39.9 -13.0 48.9 124.3 515 329 B P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 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4,-1.8 -5,-0.2 -1,-0.2 0.799 106.2 50.8 -82.4 -22.2 1.7 53.5 135.2 527 341 B Q H < S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.938 111.2 50.3 -58.1 -47.7 6.6 51.8 134.7 530 344 B V H >< S+ 0 0 11 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.902 104.1 59.1 -54.7 -48.7 7.1 52.9 138.3 531 345 B K H 3< S+ 0 0 125 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.810 113.0 39.0 -48.5 -34.6 8.2 49.4 139.2 532 346 B H T << S+ 0 0 23 -4,-1.2 2,-0.4 -3,-0.9 -1,-0.3 0.004 97.3 92.6-112.5 25.6 11.1 49.8 136.7 533 347 B T < + 0 0 2 -3,-1.9 -155,-0.0 1,-0.1 -156,-0.0 -0.979 44.3 172.0-115.6 140.6 11.9 53.4 137.4 534 348 B Q + 0 0 146 -2,-0.4 2,-0.2 5,-0.0 -1,-0.1 0.686 44.2 100.2-128.6 -37.7 14.6 53.9 140.0 535 349 B E S > S- 0 0 46 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.446 71.5-136.8 -49.5 126.3 15.5 57.6 140.1 536 350 B A H > S+ 0 0 71 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 100.2 45.1 -61.5 -49.9 13.6 58.9 143.1 537 351 B M H > S+ 0 0 140 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 114.5 48.7 -56.9 -43.7 12.3 62.1 141.5 538 352 B E H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 113.2 47.7 -68.3 -40.9 11.3 60.3 138.3 539 353 B K H X S+ 0 0 46 -4,-2.3 4,-2.2 2,-0.2 3,-0.4 0.967 111.2 49.2 -64.6 -54.8 9.5 57.6 140.2 540 354 B E H X S+ 0 0 93 -4,-2.8 4,-2.0 1,-0.3 3,-0.2 0.924 108.4 54.9 -54.6 -45.7 7.7 60.1 142.4 541 355 B N H X S+ 0 0 52 -4,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.908 109.4 47.1 -53.8 -42.0 6.7 62.0 139.4 542 356 B L H X S+ 0 0 10 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.811 105.9 58.4 -70.9 -31.3 5.2 58.8 137.9 543 357 B R H X S+ 0 0 112 -4,-2.2 4,-2.7 -3,-0.2 -1,-0.2 0.856 104.1 53.5 -63.5 -37.4 3.3 58.0 141.2 544 358 B L H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.916 108.9 46.7 -59.5 -47.3 1.6 61.3 140.8 545 359 B A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.858 111.2 55.3 -64.2 -30.8 0.5 60.4 137.3 546 360 B L H X S+ 0 0 22 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 105.7 48.8 -70.4 -44.1 -0.6 57.1 138.8 547 361 B D H X S+ 0 0 70 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.903 108.5 56.7 -59.9 -35.5 -2.7 58.8 141.4 548 362 B A H X S+ 0 0 4 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0 0 41 -4,-4.1 4,-2.8 1,-0.2 159,-0.3 0.870 106.2 58.4 -60.7 -35.7 -18.8 57.0 140.8 559 373 B V H X S+ 0 0 27 -4,-3.5 4,-2.0 -5,-0.2 -1,-0.2 0.939 107.3 49.9 -55.8 -39.5 -20.5 58.7 137.9 560 374 B K H X S+ 0 0 5 -4,-1.9 4,-1.6 -3,-0.4 -2,-0.2 0.945 110.1 48.2 -68.5 -50.1 -22.0 55.3 137.0 561 375 B R H X S+ 0 0 72 -4,-2.0 4,-3.2 1,-0.2 3,-0.4 0.939 111.8 49.5 -50.7 -52.6 -23.2 54.6 140.5 562 376 B D H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.858 107.7 54.9 -59.6 -32.3 -24.8 58.1 140.9 563 377 B N H X S+ 0 0 70 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.3 0.881 111.6 44.3 -70.2 -33.1 -26.5 57.6 137.6 564 378 B E H X S+ 0 0 62 -4,-1.6 4,-1.7 -3,-0.4 -2,-0.2 0.891 111.5 52.8 -76.1 -41.6 -27.9 54.4 138.9 565 379 B T H X S+ 0 0 22 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.942 107.3 52.7 -55.5 -47.4 -28.9 56.0 142.2 566 380 B L H X S+ 0 0 56 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.852 105.1 54.6 -61.0 -36.4 -30.8 58.8 140.3 567 381 B R H X S+ 0 0 149 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.906 110.0 47.8 -61.4 -39.2 -32.8 56.2 138.4 568 382 B Q H X S+ 0 0 93 -4,-1.7 4,-0.9 -3,-0.3 3,-0.2 0.923 112.5 47.0 -67.8 -46.4 -33.8 54.7 141.8 569 383 B I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 3,-0.4 0.867 109.0 59.0 -57.8 -38.2 -34.7 58.1 143.2 570 384 B T H X S+ 0 0 67 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.874 105.7 44.8 -62.2 -38.5 -36.6 58.8 140.0 571 385 B N H X S+ 0 0 89 -4,-1.4 4,-0.5 -3,-0.2 -1,-0.2 0.558 108.5 56.6 -94.5 -2.8 -38.9 55.8 140.4 572 386 B F H >X S+ 0 0 9 -4,-0.9 4,-0.9 -3,-0.4 3,-0.6 0.898 110.2 47.1 -69.7 -51.3 -39.6 56.5 144.0 573 387 B Q H 3< S+ 0 0 59 -4,-2.1 -2,-0.2 1,-0.3 6,-0.2 0.745 111.7 50.3 -59.8 -32.4 -40.7 60.0 142.9 574 388 B L H 3< S+ 0 0 135 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.747 106.6 55.2 -80.3 -27.1 -42.8 58.4 140.1 575 389 B S H << S+ 0 0 42 -3,-0.6 52,-1.6 -4,-0.5 2,-0.6 0.574 99.1 64.5 -86.6 -15.4 -44.5 56.0 142.5 576 390 B I B < -j 627 0D 2 -4,-0.9 3,-0.4 50,-0.2 52,-0.2 -0.956 58.8-179.4-105.6 112.6 -45.8 58.6 145.0 577 391 B E + 0 0 108 50,-1.3 51,-0.1 -2,-0.6 -1,-0.1 0.017 67.6 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