==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 28-AUG-02 1MK9 . COMPND 2 MOLECULE: INTEGRIN BETA3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.GARCIA-ALVAREZ,J.M.DE PEREDA,D.A.CALDERWOOD,T.S.ULMER, . 813 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 71.6 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 . 148 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 0 0 0 0 3 1 2 1 2 3 5 3 0 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 . 4 3 1 2 15 2 1 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 3 1 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 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 1 738 A M 0 0 179 0, 0.0 2,-0.4 0, 0.0 371,-0.3 0.000 360.0 360.0 360.0 107.2 -7.5 -13.5 -15.4 2 739 A W + 0 0 85 369,-0.1 2,-0.4 367,-0.1 369,-0.2 -0.762 360.0 176.2-111.8 142.9 -5.4 -10.6 -14.4 3 740 A D E -A 370 0A 88 367,-1.9 367,-2.2 -2,-0.4 2,-0.2 -0.939 27.0-158.0-132.0 101.5 -5.4 -7.8 -11.8 4 741 A T E -A 369 0A 61 -2,-0.4 365,-0.3 365,-0.3 364,-0.1 -0.502 21.8-137.8 -85.5 151.7 -2.2 -5.8 -12.1 5 742 A A - 0 0 9 363,-2.6 364,-0.1 -2,-0.2 -1,-0.1 0.536 31.9-132.3 -82.9 -6.4 -0.7 -3.6 -9.4 6 743 A N - 0 0 94 362,-0.5 363,-0.1 1,-0.2 362,-0.1 0.981 43.9-178.6 47.9 51.1 0.1 -0.9 -12.0 7 744 A N >> - 0 0 14 361,-0.3 3,-1.8 1,-0.1 4,-1.4 -0.740 35.3-129.3 -86.5 127.5 3.5 -1.1 -10.2 8 745 A P T 34 S+ 0 0 28 0, 0.0 5,-0.4 0, 0.0 10,-0.1 0.661 103.3 71.4 -55.0 -14.1 6.1 1.3 -11.6 9 746 A L T 34 S+ 0 0 6 356,-0.2 93,-0.1 3,-0.1 94,-0.1 0.907 122.0 9.3 -67.8 -36.3 8.6 -1.5 -11.9 10 747 A Y T <4 S+ 0 0 54 -3,-1.8 3,-0.1 2,-0.1 8,-0.1 0.823 109.3 81.7-105.8 -67.4 6.6 -2.9 -14.8 11 748 A K S < S- 0 0 91 -4,-1.4 2,-0.9 1,-0.2 7,-0.1 -0.162 98.8 -95.5 -43.6 134.8 3.9 -0.4 -15.9 12 749 A E 0 0 177 1,-0.1 -1,-0.2 5,-0.1 4,-0.1 -0.420 360.0 360.0 -55.0 95.2 5.6 2.2 -18.1 13 750 A A 0 0 26 -2,-0.9 5,-4.1 -5,-0.4 6,-0.5 -0.681 360.0 360.0-134.2 360.0 6.5 5.1 -15.9 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 15 209 B P > 0 0 80 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -46.5 9.7 5.9 -17.5 16 210 B V H > + 0 0 121 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.736 360.0 45.3 -72.6 -24.2 10.0 9.0 -15.3 17 211 B Q H > S+ 0 0 72 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.880 110.1 50.6 -86.5 -43.0 8.8 7.2 -12.3 18 212 B L H > S+ 0 0 6 -5,-4.1 4,-2.2 1,-0.2 -2,-0.2 0.882 111.2 52.6 -60.0 -35.7 10.9 4.0 -12.6 19 213 B N H X S+ 0 0 55 -4,-1.6 4,-3.1 -6,-0.5 5,-0.3 0.841 102.6 56.8 -67.4 -34.7 13.8 6.4 -13.0 20 214 B L H X S+ 0 0 85 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.859 110.3 46.2 -65.3 -34.5 12.9 8.2 -9.8 21 215 B L H X S+ 0 0 41 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.893 113.9 46.8 -75.6 -42.0 13.2 4.9 -8.1 22 216 B Y H X S+ 0 0 3 -4,-2.2 4,-4.0 2,-0.2 5,-0.3 0.968 114.7 45.7 -62.3 -55.5 16.5 3.9 -9.7 23 217 B V H X S+ 0 0 37 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.897 114.0 49.4 -57.6 -42.5 18.1 7.3 -9.1 24 218 B Q H X S+ 0 0 108 -4,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.990 116.8 41.0 -57.7 -60.5 16.9 7.3 -5.4 25 219 B A H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.909 115.9 49.6 -55.0 -48.5 18.2 3.8 -4.8 26 220 B R H X S+ 0 0 45 -4,-4.0 4,-2.2 1,-0.2 -1,-0.2 0.901 110.9 50.6 -58.9 -42.9 21.4 4.4 -6.7 27 221 B D H X S+ 0 0 73 -4,-2.5 4,-2.4 -5,-0.3 6,-0.3 0.863 105.9 54.4 -65.4 -37.4 22.1 7.6 -4.8 28 222 B D H <>S+ 0 0 54 -4,-2.2 5,-2.3 1,-0.2 6,-2.0 0.885 112.3 44.9 -66.0 -34.6 21.6 6.1 -1.4 29 223 B I H ><5S+ 0 0 1 -4,-1.7 3,-0.8 4,-0.2 -2,-0.2 0.858 112.3 50.1 -77.2 -35.8 24.1 3.4 -2.2 30 224 B L H 3<5S+ 0 0 43 -4,-2.2 44,-0.8 1,-0.2 -2,-0.2 0.960 112.5 45.9 -67.5 -49.0 26.7 5.7 -3.7 31 225 B N T 3<5S- 0 0 98 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.340 118.0-111.2 -76.1 7.3 26.6 8.1 -0.8 32 226 B G T < 5S+ 0 0 37 -3,-0.8 -3,-0.2 2,-0.2 -4,-0.1 0.638 84.2 122.3 75.1 13.7 26.8 5.2 1.7 33 227 B S S - 0 0 30 -2,-0.2 4,-3.2 112,-0.1 5,-0.2 -0.511 35.2-110.6 -86.3 156.5 28.7 -5.6 0.4 38 232 B F H > S+ 0 0 28 109,-0.3 4,-1.8 1,-0.2 5,-0.2 0.939 120.4 49.1 -44.7 -57.0 31.7 -5.1 -2.0 39 233 B D H > S+ 0 0 88 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.839 112.1 46.3 -54.8 -42.7 30.2 -7.8 -4.3 40 234 B K H >> S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 3,-0.9 0.947 107.9 56.6 -69.3 -46.3 26.7 -6.2 -4.4 41 235 B A H 3X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.849 108.2 48.7 -52.4 -36.8 28.1 -2.7 -5.0 42 236 B C H 3X S+ 0 0 4 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.3 0.755 108.8 52.7 -74.5 -26.5 29.9 -4.1 -8.1 43 237 B E H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-1.7 0.932 109.5 37.9 -41.0 -71.1 27.3 -3.4 -13.4 47 241 B Y H 3X S+ 0 0 48 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.894 112.6 58.9 -47.1 -48.2 23.7 -2.3 -14.0 48 242 B Q H 3X S+ 0 0 5 -4,-3.1 4,-1.9 1,-0.3 -1,-0.3 0.816 108.2 46.1 -52.9 -32.7 24.8 1.3 -13.6 49 243 B C H S+ 0 0 0 -4,-2.9 4,-3.1 -3,-1.7 5,-0.8 0.902 110.1 52.5 -76.3 -40.4 27.2 0.7 -16.5 50 244 B Q H X5S+ 0 0 1 -4,-2.1 4,-0.7 -5,-0.3 -2,-0.2 0.859 113.3 45.9 -61.1 -36.1 24.5 -1.0 -18.5 51 245 B I H <5S+ 0 0 24 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.917 120.5 35.8 -74.8 -44.4 22.2 2.0 -18.0 52 246 B Q H <5S+ 0 0 95 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.793 132.8 22.6 -82.5 -30.6 24.7 4.7 -18.7 53 247 B F H <5S- 0 0 79 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.688 97.8-130.3-112.1 -20.7 26.8 3.1 -21.5 54 248 B G << + 0 0 15 -5,-0.8 -1,-0.3 -4,-0.7 3,-0.1 -0.530 64.0 0.7 99.4-170.4 24.6 0.5 -23.0 55 249 B P S S- 0 0 64 0, 0.0 39,-0.1 0, 0.0 35,-0.1 -0.204 93.7 -89.5 -52.6 136.6 25.5 -3.2 -23.7 56 250 B H - 0 0 34 37,-0.5 2,-0.5 33,-0.4 -6,-0.0 -0.222 38.7-166.0 -55.2 131.8 29.1 -4.0 -22.7 57 251 B N >> - 0 0 82 -3,-0.1 4,-1.9 1,-0.0 2,-1.7 -0.901 10.7-154.5-122.2 95.9 31.7 -3.4 -25.3 58 252 B E T 34 S+ 0 0 138 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.0 0.137 88.2 63.9 -61.7 26.3 35.0 -5.1 -24.3 59 253 B Q T 34 S+ 0 0 158 -2,-1.7 -1,-0.3 3,-0.0 3,-0.1 -0.007 117.8 18.7-138.4 28.2 37.0 -2.7 -26.4 60 254 B K T <4 S+ 0 0 113 -3,-1.1 2,-1.6 0, 0.0 -2,-0.2 0.082 113.9 71.6-157.1 -56.3 36.2 0.6 -24.6 61 255 B H < + 0 0 7 -4,-1.9 3,-0.0 4,-0.1 -5,-0.0 -0.550 67.7 122.8 -76.9 74.8 35.0 -0.8 -21.3 62 256 B K S > S- 0 0 100 -2,-1.6 3,-2.5 -3,-0.1 4,-0.2 -0.926 75.3 -65.3-132.0 157.2 38.2 -2.0 -19.7 63 257 B P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 20,-0.0 -0.094 124.7 40.3 -43.0 137.0 39.8 -1.0 -16.3 64 258 B G T 3 S+ 0 0 68 2,-0.2 -3,-0.1 -3,-0.0 4,-0.0 0.012 93.6 90.3 106.9 -26.2 40.8 2.6 -16.4 65 259 B F S < S+ 0 0 65 -3,-2.5 2,-0.2 17,-0.1 -4,-0.1 0.875 74.8 73.1 -70.3 -39.4 37.7 3.5 -18.3 66 260 B L S S- 0 0 18 -4,-0.2 2,-1.5 1,-0.1 -2,-0.2 -0.500 71.6-138.2 -87.5 147.7 35.5 4.2 -15.2 67 261 B E - 0 0 129 -2,-0.2 4,-0.4 1,-0.2 3,-0.3 -0.698 27.4-165.5 -93.1 77.6 35.6 7.1 -12.7 68 262 B L S >> S+ 0 0 19 -2,-1.5 2,-1.4 1,-0.3 4,-1.2 0.720 75.9 78.4 -39.1 -30.2 35.1 4.6 -9.9 69 263 B K T 34 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 -0.073 99.8 41.6 -75.3 38.9 34.1 7.5 -7.6 70 264 B D T 34 S+ 0 0 91 -2,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.330 115.3 45.2-154.1 -20.8 30.7 7.5 -9.2 71 265 B F T <4 S+ 0 0 11 -3,-1.1 -2,-0.2 -4,-0.4 -26,-0.2 0.369 110.4 50.3-112.5 -0.2 29.9 3.8 -9.5 72 266 B L S < S- 0 0 6 -4,-1.2 5,-0.1 -28,-0.1 -1,-0.1 -0.999 84.7-102.7-144.9 144.3 31.0 2.6 -6.0 73 267 B P >> - 0 0 3 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.338 49.9 -99.8 -61.8 143.0 30.5 3.6 -2.3 74 268 B K G >4 S+ 0 0 158 -44,-0.8 3,-1.3 1,-0.3 4,-0.5 0.781 117.2 58.1 -29.8 -59.0 33.4 5.5 -0.8 75 269 B E G 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.423 107.0 47.9 -62.8 3.5 35.0 2.5 1.0 76 270 B Y G <4 S+ 0 0 9 -3,-2.5 5,-0.4 2,-0.1 -1,-0.2 0.536 81.7 88.7-120.2 -11.3 35.5 0.4 -2.1 77 271 B I S X< S+ 0 0 44 -3,-1.3 3,-0.6 -4,-0.6 5,-0.2 0.984 95.1 42.1 -51.2 -62.8 37.0 2.8 -4.6 78 272 B K T 3 S+ 0 0 190 -4,-0.5 2,-1.5 1,-0.3 -1,-0.2 0.821 104.1 66.5 -54.7 -36.5 40.5 2.0 -3.5 79 273 B Q T 3 S- 0 0 92 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.139 100.8-142.7 -75.0 38.2 39.8 -1.8 -3.3 80 274 B K < + 0 0 154 -2,-1.5 3,-0.5 -3,-0.6 -3,-0.1 0.361 36.4 173.3 -22.0 98.6 39.4 -1.6 -7.0 81 275 B G >> + 0 0 1 -5,-0.4 3,-4.2 1,-0.2 4,-1.9 0.326 41.5 120.6 -90.8 9.0 36.5 -3.7 -8.2 82 276 B E H 3> S+ 0 0 21 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.684 75.0 53.1 -48.1 -22.8 36.7 -2.4 -11.7 83 277 B R H 34 S+ 0 0 156 -3,-0.5 4,-0.4 2,-0.2 -1,-0.3 0.619 111.3 49.4 -86.7 -13.5 37.5 -5.9 -13.0 84 278 B K H <> S+ 0 0 66 -3,-4.2 4,-2.0 2,-0.2 -2,-0.2 0.784 106.8 52.3 -91.8 -34.0 34.3 -6.9 -11.1 85 279 B I H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.995 108.4 50.9 -64.0 -59.3 32.0 -4.1 -12.5 86 280 B F H X S+ 0 0 14 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.776 109.0 51.9 -50.3 -32.0 32.9 -4.9 -16.1 87 281 B M H > S+ 0 0 100 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.993 111.4 45.0 -67.8 -60.6 32.1 -8.6 -15.5 88 282 B A H X S+ 0 0 21 -4,-2.0 4,-0.6 1,-0.2 3,-0.2 0.947 113.5 54.0 -42.2 -59.3 28.7 -7.8 -14.0 89 283 B H H >< S+ 0 0 0 -4,-3.2 3,-1.9 1,-0.2 -33,-0.4 0.872 107.6 46.9 -41.6 -58.6 28.2 -5.4 -16.9 90 284 B K H >< S+ 0 0 114 -4,-2.5 3,-2.8 1,-0.3 -1,-0.2 0.909 104.0 62.3 -54.3 -44.6 29.0 -7.9 -19.6 91 285 B N H 3< S+ 0 0 118 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.636 88.2 74.8 -58.5 -11.4 26.7 -10.5 -18.0 92 286 B C T X< S- 0 0 15 -3,-1.9 3,-1.4 -4,-0.6 -1,-0.3 0.619 82.6-169.9 -77.7 -10.6 23.9 -7.9 -18.6 93 287 B G T < - 0 0 34 -3,-2.8 -37,-0.5 1,-0.2 -1,-0.2 -0.257 60.0 -27.7 57.2-141.2 23.9 -8.8 -22.3 94 288 B N T 3 S+ 0 0 149 -39,-0.1 -1,-0.2 -3,-0.1 -4,-0.0 -0.159 89.7 155.8-100.9 38.9 21.9 -6.5 -24.5 95 289 B M < - 0 0 58 -3,-1.4 2,-0.2 1,-0.1 -3,-0.1 -0.245 43.4-111.2 -60.0 148.8 19.5 -5.6 -21.7 96 290 B S > - 0 0 48 1,-0.1 4,-2.5 -42,-0.1 5,-0.3 -0.526 20.7-112.0 -87.8 156.9 17.7 -2.2 -22.1 97 291 B E H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.920 118.2 53.8 -45.5 -51.1 18.3 0.8 -19.9 98 292 B I H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.872 110.4 41.2 -55.1 -48.7 14.7 0.3 -18.5 99 293 B E H > S+ 0 0 96 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.802 110.5 58.3 -74.4 -26.0 15.1 -3.4 -17.4 100 294 B A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.923 107.9 49.8 -63.7 -41.6 18.5 -2.7 -16.1 101 295 B K H X S+ 0 0 37 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.893 108.6 49.7 -62.5 -46.6 16.8 -0.1 -13.9 102 296 B V H X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.969 113.4 44.4 -61.2 -54.6 14.1 -2.3 -12.6 103 297 B R H X S+ 0 0 74 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.786 110.7 57.0 -62.4 -25.5 16.4 -5.1 -11.6 104 298 B Y H X S+ 0 0 1 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.951 112.8 39.8 -67.9 -48.1 18.7 -2.5 -10.0 105 299 B V H X S+ 0 0 3 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.747 114.7 54.0 -71.7 -23.1 15.9 -1.3 -7.8 106 300 B K H X S+ 0 0 23 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.784 109.7 47.4 -81.0 -27.3 14.7 -4.9 -7.3 107 301 B L H X S+ 0 0 24 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.921 108.9 54.2 -76.2 -45.4 18.2 -5.9 -6.1 108 302 B A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 109.6 48.1 -55.9 -39.2 18.4 -2.9 -3.8 109 303 B R H < S+ 0 0 34 -4,-1.2 -1,-0.3 1,-0.2 5,-0.2 0.838 100.3 66.7 -72.6 -32.5 15.1 -3.9 -2.2 110 304 B S H < S+ 0 0 71 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.948 80.5 94.3 -52.5 -54.1 16.2 -7.5 -1.7 111 305 B L S >< S- 0 0 30 -4,-1.4 3,-1.5 1,-0.2 -75,-0.0 -0.011 75.6-137.5 -43.8 135.5 18.9 -6.5 0.8 112 306 B K T 3 S+ 0 0 125 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.353 103.1 63.6 -79.2 8.1 17.8 -6.8 4.4 113 307 B T T > S+ 0 0 7 -5,-0.2 3,-0.7 -78,-0.1 -1,-0.3 0.256 78.0 120.9-111.3 6.6 19.6 -3.5 5.0 114 308 B Y T < S+ 0 0 102 -3,-1.5 3,-0.1 1,-0.2 -5,-0.1 -0.423 76.0 10.9 -74.0 148.9 17.3 -1.6 2.6 115 309 B G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.898 97.5 136.7 49.2 47.0 15.3 1.3 3.9 116 310 B V < - 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0 0 28 -2,-0.3 4,-2.7 114,-0.2 5,-0.2 -0.289 39.0-111.7 -64.9 152.0 -3.6 -45.2 10.9 451 232 F F H > S+ 0 0 41 111,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.893 119.6 51.1 -50.2 -44.5 -6.5 -45.8 8.6 452 233 F D H >> S+ 0 0 82 2,-0.2 4,-1.5 1,-0.2 3,-1.4 0.964 108.6 49.4 -59.0 -55.9 -5.1 -43.2 6.3 453 234 F K H >> S+ 0 0 55 1,-0.3 4,-2.8 2,-0.2 3,-1.5 0.947 105.0 57.7 -48.8 -55.8 -1.7 -44.8 6.2 454 235 F A H 3X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.3 -1,-0.3 0.777 107.3 50.2 -47.4 -29.3 -3.1 -48.2 5.5 455 236 F C H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 3,-0.6 0.957 106.7 46.1 -54.6 -52.9 0.4 -52.1 -3.2 462 243 F C H 3X>S+ 0 0 0 -4,-3.6 4,-3.6 1,-0.3 5,-0.9 0.918 111.0 52.3 -54.0 -47.8 -2.0 -51.6 -6.1 463 244 F Q H 3<5S+ 0 0 3 -4,-1.9 4,-0.3 1,-0.2 -1,-0.3 0.789 111.8 48.6 -59.8 -29.9 0.7 -49.9 -8.1 464 245 F I H <<5S+ 0 0 24 -4,-2.0 -2,-0.2 -3,-0.6 -1,-0.2 0.890 123.0 28.0 -78.6 -43.7 2.9 -52.9 -7.4 465 246 F Q H <5S+ 0 0 86 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.774 134.2 27.8 -92.1 -29.7 0.5 -55.7 -8.3 466 247 F F T <5S- 0 0 76 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.1 0.593 98.0-132.1-109.3 -16.0 -1.7 -53.9 -10.9 467 248 F G < - 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