==== 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 IMMUNE SYSTEM 16-AUG-05 2APH . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN I-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GUAN,A.ROYCHOWDJURY,G.BOONS,R.A.MARIUZZA . 340 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.5 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 . 2 0.6 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 0 0 2 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 0 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 . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 177 A V 0 0 186 0, 0.0 123,-0.2 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0-116.3 35.0 66.8 26.3 2 178 A a - 0 0 42 122,-0.1 119,-0.1 1,-0.1 118,-0.0 -0.549 360.0-108.4 -76.7 139.7 34.9 64.7 29.5 3 179 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 72,-0.1 -0.290 38.0 -99.8 -64.4 156.4 34.1 66.6 32.7 4 180 A N - 0 0 171 2,-0.0 -2,-0.1 1,-0.0 71,-0.1 0.877 47.0-154.1 -41.4 -63.3 37.0 67.1 35.1 5 181 A I - 0 0 33 71,-0.1 2,-0.5 1,-0.1 72,-0.2 0.781 11.6-125.2 79.1 111.0 36.3 64.3 37.6 6 182 A I B -a 77 0A 39 70,-2.7 72,-3.0 1,-0.0 2,-0.1 -0.756 32.5-136.2 -87.8 121.8 37.5 64.5 41.2 7 183 A K >> - 0 0 132 -2,-0.5 4,-1.1 70,-0.2 3,-1.0 -0.338 19.1-105.6 -83.0 160.7 39.5 61.4 42.1 8 184 A R T 34>S+ 0 0 43 1,-0.3 5,-2.3 2,-0.2 3,-0.2 0.823 117.3 59.4 -50.9 -39.1 39.5 59.2 45.2 9 185 A S T >45S+ 0 0 100 1,-0.2 3,-1.2 3,-0.2 -1,-0.3 0.891 100.9 57.0 -61.2 -37.6 42.8 60.6 46.4 10 186 A A T <45S+ 0 0 44 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 113.8 36.9 -62.3 -40.0 41.2 64.0 46.6 11 187 A W T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.213 117.5-114.0 -98.2 18.0 38.4 62.9 48.9 12 188 A E T < 5 - 0 0 137 -3,-1.2 -3,-0.2 -5,-0.2 2,-0.1 0.924 41.3-163.4 52.4 58.7 40.9 60.6 50.7 13 189 A A < - 0 0 11 -5,-2.3 -1,-0.1 1,-0.1 36,-0.1 -0.418 21.5-110.9 -72.6 141.1 39.3 57.3 49.8 14 190 A R - 0 0 107 35,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.395 40.6-104.5 -66.6 149.4 40.3 54.2 51.8 15 191 A E + 0 0 176 -2,-0.1 2,-0.3 48,-0.0 -1,-0.1 -0.576 48.8 161.8 -80.7 140.5 42.4 51.6 49.8 16 192 A T - 0 0 50 -2,-0.2 2,-0.3 2,-0.0 47,-0.1 -0.885 38.1-138.3-146.8 174.6 40.8 48.4 48.5 17 193 A H + 0 0 174 -2,-0.3 -2,-0.0 45,-0.2 46,-0.0 -0.762 39.4 167.3-140.1 87.7 41.3 45.6 45.9 18 194 A b - 0 0 12 -2,-0.3 -2,-0.0 1,-0.1 45,-0.0 -0.678 41.1 -80.3-106.8 158.8 37.9 44.9 44.4 19 195 A P - 0 0 80 0, 0.0 66,-3.3 0, 0.0 -1,-0.1 -0.179 52.4-106.1 -56.5 144.1 36.9 42.9 41.3 20 196 A K B -G 84 0B 148 64,-0.3 2,-0.5 1,-0.1 64,-0.3 -0.331 20.7-127.2 -74.4 152.5 37.2 44.5 37.9 21 197 A M - 0 0 8 62,-2.1 2,-0.7 64,-0.1 73,-0.1 -0.852 21.3-133.2 -97.7 129.9 34.4 45.8 35.7 22 198 A N - 0 0 138 -2,-0.5 62,-0.0 72,-0.4 61,-0.0 -0.779 40.1-106.2 -87.7 118.7 34.4 44.5 32.2 23 199 A L S S+ 0 0 54 -2,-0.7 108,-0.1 1,-0.1 107,-0.1 -0.628 86.7 45.7 -94.1 154.9 33.9 47.3 29.7 24 200 A P S S- 0 0 55 0, 0.0 107,-0.3 0, 0.0 106,-0.1 0.500 74.7-143.7 -87.6 151.2 32.0 48.5 27.9 25 201 A A E -b 131 0A 1 105,-3.3 107,-2.2 1,-0.1 71,-0.2 -0.374 2.6-148.8 -72.2 153.7 28.9 48.7 30.2 26 202 A K E S+ 0 0 111 69,-1.9 110,-1.8 105,-0.2 2,-0.3 0.620 73.4 31.8 -98.2 -17.2 25.5 48.1 28.6 27 203 A Y E -bc 136 96A 56 68,-1.7 70,-2.2 108,-0.2 2,-0.4 -0.884 57.6-146.3-137.6 167.8 23.4 50.3 30.9 28 204 A V E -bc 137 97A 1 108,-2.0 110,-2.5 -2,-0.3 2,-0.5 -0.995 17.8-161.7-133.9 126.9 23.4 53.4 33.0 29 205 A I E -bc 138 98A 0 68,-2.2 70,-2.4 -2,-0.4 2,-0.4 -0.960 10.4-142.6-115.0 126.4 21.4 53.4 36.2 30 206 A I E +bc 139 99A 0 108,-2.5 110,-1.9 -2,-0.5 2,-0.3 -0.752 28.3 167.1 -91.5 135.9 20.5 56.8 37.8 31 207 A I E - c 0 100A 1 68,-2.5 70,-3.0 -2,-0.4 2,-0.3 -0.934 26.2-147.0-142.2 156.7 20.5 56.9 41.5 32 208 A H E - c 0 101A 6 -2,-0.3 70,-0.2 68,-0.3 72,-0.1 -0.927 22.2-131.0-122.7 154.7 20.3 59.5 44.3 33 209 A T - 0 0 24 68,-2.2 71,-0.2 -2,-0.3 69,-0.1 0.742 27.6-143.5 -75.9 -22.2 22.1 59.1 47.6 34 210 A A + 0 0 50 69,-3.1 70,-0.3 67,-0.4 3,-0.1 0.531 68.4 95.8 72.3 6.0 19.0 60.0 49.5 35 211 A G S S- 0 0 39 68,-0.5 -1,-0.2 1,-0.3 -2,-0.1 -0.045 86.9 -40.2-105.2-151.5 21.1 61.7 52.1 36 212 A T - 0 0 100 67,-0.2 -1,-0.3 -3,-0.1 2,-0.2 -0.251 57.9-134.4 -69.2 163.6 22.3 65.3 52.6 37 213 A S - 0 0 43 66,-0.1 2,-0.3 -3,-0.1 66,-0.2 -0.443 12.8-152.1-108.0-173.5 23.3 67.3 49.6 38 214 A c - 0 0 6 64,-0.4 34,-1.1 -2,-0.2 35,-0.3 -0.936 17.0-175.4-163.5 137.5 26.4 69.5 49.1 39 215 A T S S+ 0 0 96 -2,-0.3 2,-0.4 33,-0.1 -1,-0.1 0.378 71.7 61.7-119.1 -0.7 27.1 72.6 47.0 40 216 A V S > S- 0 0 64 1,-0.1 4,-1.9 35,-0.0 3,-0.4 -0.958 84.8-120.4-124.4 146.4 30.8 73.2 47.6 41 217 A S H > S+ 0 0 45 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.837 109.0 52.1 -56.5 -40.1 33.5 70.7 46.7 42 218 A T H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 110.0 49.9 -67.4 -34.4 34.9 70.1 50.2 43 219 A D H > S+ 0 0 85 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.895 110.8 50.5 -68.0 -39.8 31.5 69.4 51.6 44 220 A c H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.889 106.5 53.6 -66.1 -40.9 30.9 66.9 48.7 45 221 A Q H X S+ 0 0 36 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.940 108.4 49.9 -59.9 -46.7 34.2 65.0 49.3 46 222 A T H X S+ 0 0 59 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.934 110.9 50.5 -57.1 -44.2 33.3 64.5 53.0 47 223 A V H X S+ 0 0 20 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.908 112.3 46.2 -60.2 -42.7 29.9 63.2 51.9 48 224 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.938 111.6 51.9 -65.4 -45.7 31.5 60.8 49.4 49 225 A R H X S+ 0 0 58 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.899 110.0 48.0 -58.5 -44.9 34.1 59.7 52.0 50 226 A N H X S+ 0 0 96 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.856 110.1 53.2 -65.1 -35.4 31.4 58.9 54.6 51 227 A I H X S+ 0 0 23 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.929 106.6 51.8 -65.8 -45.7 29.3 57.0 52.0 52 228 A Q H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.949 114.5 43.4 -55.1 -47.7 32.3 54.8 51.1 53 229 A S H X S+ 0 0 33 -4,-2.0 4,-2.3 2,-0.2 5,-0.4 0.800 113.0 51.9 -70.3 -26.8 32.7 54.1 54.8 54 230 A F H X>S+ 0 0 105 -4,-2.0 4,-2.4 3,-0.2 5,-1.5 0.956 114.3 42.9 -70.7 -49.9 29.0 53.5 55.3 55 231 A H H <5S+ 0 0 7 -4,-3.4 6,-2.5 3,-0.2 4,-0.3 0.911 122.3 39.5 -59.9 -46.0 28.9 51.1 52.4 56 232 A M H <5S+ 0 0 28 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.933 123.5 36.4 -70.8 -50.5 32.1 49.3 53.5 57 233 A D H <5S+ 0 0 104 -4,-2.3 254,-0.2 -5,-0.2 -3,-0.2 0.824 134.3 18.1 -77.1 -34.5 31.6 49.3 57.2 58 234 A T T <5S+ 0 0 81 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.772 131.6 38.8-108.9 -33.8 27.8 48.7 57.5 59 235 A R S - 0 0 0 4,-2.9 3,-2.2 -2,-0.4 4,-0.4 -0.702 30.5-116.5-107.6 159.4 27.1 67.1 43.3 72 248 A Q T 3 S+ 0 0 36 -34,-1.1 41,-0.2 1,-0.3 -33,-0.1 0.400 113.7 74.1 -68.7 3.9 25.0 70.2 43.2 73 249 A D T 3 S- 0 0 47 -35,-0.3 -1,-0.3 2,-0.2 -32,-0.1 0.309 120.1-110.7 -95.4 3.8 28.3 71.9 42.8 74 250 A G S < S+ 0 0 31 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.744 75.2 139.2 72.4 23.2 28.3 70.6 39.3 75 251 A G - 0 0 11 -4,-0.4 -4,-2.9 -71,-0.1 2,-0.6 -0.791 48.3-145.0-106.0 145.7 31.1 68.2 40.2 76 252 A V E - D 0 70A 5 -2,-0.3 -70,-2.7 -6,-0.2 2,-0.4 -0.933 19.6-160.9-107.5 119.8 31.6 64.6 39.1 77 253 A Y E -aD 6 69A 0 -8,-3.6 -8,-2.6 -2,-0.6 2,-0.4 -0.857 18.8-120.8-106.9 136.8 33.2 62.5 41.9 78 254 A E E + D 0 68A 46 -72,-3.0 -10,-0.3 -2,-0.4 -11,-0.1 -0.598 29.4 177.8 -75.6 124.3 34.8 59.2 41.2 79 255 A G S S- 0 0 0 -12,-2.7 -12,-0.3 -2,-0.4 -11,-0.2 0.758 80.7 -32.1 -87.0 -97.7 33.2 56.3 43.2 80 256 A V S S- 0 0 10 -14,-1.6 3,-0.2 1,-0.3 -13,-0.2 0.547 97.7-131.1 -97.1 -12.6 35.1 53.2 42.3 81 257 A G - 0 0 2 -14,-1.8 3,-0.5 -15,-0.2 -1,-0.3 -0.392 35.5 -55.7 94.0-173.6 35.7 54.5 38.8 82 258 A W S S+ 0 0 30 1,-0.2 -1,-0.2 -2,-0.1 -14,-0.1 0.790 127.5 54.7 -75.7 -29.9 35.2 52.9 35.3 83 259 A H S S+ 0 0 109 -3,-0.2 -62,-2.1 -16,-0.1 2,-0.3 0.371 91.7 79.9 -91.0 4.1 37.3 49.8 36.0 84 260 A I B S-G 20 0B 42 -3,-0.5 -64,-0.3 -64,-0.3 -4,-0.1 -0.865 81.1-105.1-118.0 149.0 35.8 48.4 39.1 85 261 A Q - 0 0 55 -66,-3.3 2,-0.2 -2,-0.3 9,-0.2 -0.171 41.5-129.7 -58.6 157.9 32.7 46.2 39.8 86 262 A G - 0 0 2 7,-2.1 -20,-0.2 -66,-0.1 -21,-0.1 -0.606 17.3-159.3-109.3 172.4 29.8 48.1 41.3 87 263 A S + 0 0 17 -22,-2.1 -22,-0.2 -2,-0.2 -21,-0.1 -0.363 65.8 96.0-144.1 54.3 27.6 47.5 44.3 88 264 A H S S+ 0 0 0 1,-0.3 246,-2.1 -23,-0.2 2,-0.4 0.690 81.0 29.3-117.6 -29.6 24.6 49.7 43.5 89 265 A T S >> S- 0 0 0 244,-0.2 3,-2.4 -24,-0.1 4,-0.5 -0.972 81.2-110.3-142.1 124.6 21.9 47.5 41.9 90 266 A Y T 34 S+ 0 0 56 244,-2.4 248,-0.3 -2,-0.4 247,-0.1 -0.227 103.0 4.0 -51.9 128.4 21.1 43.8 42.3 91 267 A G T 34 S+ 0 0 30 246,-2.1 -1,-0.3 1,-0.1 247,-0.1 0.459 122.4 71.0 76.0 1.1 22.1 41.9 39.1 92 268 A F T <> + 0 0 50 -3,-2.4 4,-2.0 245,-0.3 3,-0.5 0.263 57.8 104.4-130.8 11.4 23.5 44.9 37.3 93 269 A N T < S+ 0 0 3 -4,-0.5 -7,-2.1 244,-0.4 5,-0.1 0.721 89.5 40.4 -69.1 -17.6 26.8 45.6 39.2 94 270 A D T 4 S+ 0 0 74 -9,-0.2 -72,-0.4 243,-0.1 -1,-0.2 0.529 126.1 32.5-104.7 -11.4 28.9 44.1 36.4 95 271 A I T 4 S+ 0 0 46 -3,-0.5 -69,-1.9 1,-0.1 -68,-1.7 0.434 107.5 70.2-124.2 -5.4 27.0 45.5 33.4 96 272 A A E < -c 27 0A 0 -4,-2.0 2,-0.6 -70,-0.2 -68,-0.2 -0.963 66.7-139.4-126.1 128.8 25.7 48.9 34.6 97 273 A L E -c 28 0A 4 -70,-2.2 -68,-2.2 -2,-0.4 2,-0.6 -0.719 26.9-147.6 -80.5 118.3 27.5 52.1 35.4 98 274 A G E -c 29 0A 0 -2,-0.6 -31,-1.9 -70,-0.2 -30,-1.6 -0.823 16.6-175.0 -95.2 122.4 25.8 53.4 38.5 99 275 A I E -ce 30 68A 7 -70,-2.4 -68,-2.5 -2,-0.6 2,-0.4 -0.967 4.3-165.7-121.8 116.8 25.7 57.2 38.8 100 276 A A E -ce 31 69A 0 -32,-2.0 -30,-2.5 -2,-0.5 2,-0.5 -0.868 15.5-141.5-108.5 132.1 24.3 58.8 42.0 101 277 A F E -ce 32 70A 1 -70,-3.0 -68,-2.2 -2,-0.4 2,-0.7 -0.765 31.9-119.0 -85.0 129.6 23.3 62.4 42.4 102 278 A I S S+ 0 0 0 -32,-3.4 -64,-0.4 -2,-0.5 -30,-0.3 -0.636 78.7 37.6 -75.5 112.6 24.4 63.5 45.9 103 279 A G S S- 0 0 0 -2,-0.7 -69,-3.1 -66,-0.2 -68,-0.5 -0.896 93.1 -69.1 143.5-172.0 21.2 64.4 47.7 104 280 A Y + 0 0 126 -2,-0.3 4,-0.3 -70,-0.3 3,-0.2 -0.971 45.3 173.9-122.5 111.4 17.5 63.5 48.1 105 281 A F + 0 0 8 -2,-0.5 48,-1.7 44,-0.3 49,-0.3 -0.337 40.0 105.3-122.2 56.6 15.4 64.2 45.1 106 282 A V S S+ 0 0 21 45,-0.2 46,-1.5 46,-0.2 -1,-0.1 0.856 99.8 23.7 -94.5 -41.1 11.8 63.0 45.3 107 283 A E S S+ 0 0 149 1,-0.2 -2,-0.1 -3,-0.2 43,-0.0 0.866 132.7 33.1 -88.0 -44.4 10.2 66.4 45.8 108 284 A K S S- 0 0 153 -4,-0.3 -1,-0.2 3,-0.0 45,-0.2 -0.951 76.6-132.4-122.2 138.4 12.9 68.5 44.2 109 285 A P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 44,-0.1 -0.380 36.2 -88.7 -82.0 158.6 15.3 67.8 41.3 110 286 A P - 0 0 4 0, 0.0 -7,-0.1 0, 0.0 -39,-0.0 -0.229 56.5 -96.4 -60.1 157.6 19.1 68.3 41.2 111 287 A N > - 0 0 56 1,-0.1 4,-2.5 -3,-0.1 3,-0.3 -0.180 37.5 -96.0 -72.0 172.9 20.1 71.8 40.0 112 288 A A H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.852 123.4 56.8 -56.6 -40.8 21.0 72.5 36.5 113 289 A A H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 110.7 44.4 -60.2 -41.2 24.7 72.2 37.2 114 290 A A H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.968 113.8 47.7 -68.2 -54.6 24.2 68.7 38.5 115 291 A L H X S+ 0 0 28 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.887 114.1 49.4 -53.8 -41.7 21.9 67.5 35.7 116 292 A E H X S+ 0 0 117 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.934 109.8 49.2 -65.1 -46.1 24.3 69.0 33.2 117 293 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.880 107.8 55.8 -60.2 -41.4 27.4 67.3 34.7 118 294 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.929 110.1 45.0 -57.3 -48.4 25.6 64.0 34.7 119 295 A Q H X S+ 0 0 78 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.886 109.1 53.7 -66.4 -40.6 24.9 64.2 31.0 120 296 A D H X S+ 0 0 69 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.864 109.5 52.6 -61.2 -33.0 28.4 65.3 30.0 121 297 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.948 108.5 46.9 -65.5 -51.6 29.6 62.3 32.0 122 298 A I H X S+ 0 0 11 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.896 111.2 53.5 -57.0 -43.4 27.3 59.9 30.1 123 299 A Q H X S+ 0 0 119 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.912 108.0 50.4 -56.1 -48.5 28.5 61.4 26.8 124 300 A a H X S+ 0 0 9 -4,-2.0 4,-3.1 1,-0.2 6,-0.3 0.905 104.9 57.4 -57.6 -46.2 32.1 60.9 27.7 125 301 A A H <>S+ 0 0 2 -4,-2.3 5,-2.9 2,-0.2 6,-1.7 0.863 111.9 41.3 -56.8 -39.3 31.5 57.2 28.6 126 302 A V H ><5S+ 0 0 39 -4,-1.6 3,-1.9 4,-0.2 -2,-0.2 0.974 114.7 49.5 -72.3 -55.4 30.1 56.6 25.1 127 303 A V H 3<5S+ 0 0 99 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.872 114.3 46.9 -47.9 -45.0 32.7 58.6 23.3 128 304 A E T 3<5S- 0 0 102 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.517 116.1-113.8 -77.9 -9.1 35.5 56.9 25.2 129 305 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.729 84.3 118.9 82.3 21.2 34.1 53.4 24.6 130 306 A Y S - 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0 0 56 0, 0.0 44,-0.1 0, 0.0 -3,-0.1 -0.376 36.6 -85.4 -86.4 165.7 33.1 21.4 55.9 276 286 B P - 0 0 4 0, 0.0 -38,-0.0 0, 0.0 -7,-0.0 -0.226 55.8 -95.5 -63.2 163.4 30.9 19.9 58.6 277 287 B N > - 0 0 58 1,-0.1 4,-2.4 -3,-0.1 3,-0.5 -0.214 38.3 -95.8 -75.6 171.6 29.9 16.3 58.2 278 288 B A H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.866 123.2 57.0 -55.3 -42.5 26.7 15.1 56.6 279 289 B A H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 110.7 44.2 -58.3 -40.4 24.9 14.7 60.0 280 290 B A H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.955 113.6 48.1 -69.7 -52.1 25.6 18.4 60.8 281 291 B L H X S+ 0 0 19 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.878 115.4 45.5 -57.6 -40.2 24.7 19.8 57.4 282 292 B E H X S+ 0 0 113 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.855 109.7 53.2 -74.6 -34.8 21.4 17.8 57.3 283 293 B A H X S+ 0 0 8 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.936 108.3 52.5 -64.0 -44.0 20.5 18.7 60.9 284 294 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.878 110.3 47.3 -57.7 -42.1 20.9 22.3 60.0 285 295 B Q H X S+ 0 0 63 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.882 109.7 52.3 -70.3 -37.4 18.6 22.0 57.0 286 296 B D H X S+ 0 0 82 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.889 109.1 51.3 -64.6 -39.1 15.9 20.1 59.0 287 297 B L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.933 110.6 48.1 -61.9 -45.0 16.0 22.9 61.6 288 298 B I H X S+ 0 0 9 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.853 111.7 49.2 -64.7 -34.3 15.6 25.5 58.8 289 299 B Q H X S+ 0 0 119 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.886 110.8 51.9 -70.1 -38.0 12.7 23.5 57.3 290 300 B d H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 6,-0.3 0.872 104.2 56.6 -63.7 -41.2 11.2 23.3 60.8 291 301 B A H X>S+ 0 0 2 -4,-2.3 5,-2.6 2,-0.2 6,-1.5 0.908 112.4 41.4 -59.6 -43.4 11.5 27.1 61.2 292 302 B V H ><5S+ 0 0 39 -4,-1.5 3,-1.1 4,-0.2 -2,-0.2 0.961 114.5 49.0 -69.9 -52.8 9.4 27.7 58.1 293 303 B V H 3<5S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.822 114.0 48.8 -56.6 -31.2 6.8 24.9 58.7 294 304 B E H 3<5S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.651 115.7-114.6 -84.7 -14.8 6.4 26.3 62.3 295 305 B G T <<5S+ 0 0 41 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.631 85.2 116.7 91.2 13.9 6.0 29.9 61.2 296 306 B Y S - 0 0 23 -107,-2.3 3,-2.4 -2,-0.4 -6,-0.1 -0.529 29.6-120.6 -71.3 140.6 8.8 33.9 56.6 299 309 B P E 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.815 115.1 49.9 -51.2 -30.4 8.1 31.6 53.6 300 310 B N E 3 S+ 0 0 122 2,-0.0 -2,-0.1 -107,-0.0 -108,-0.0 0.026 85.7 151.7 -97.8 26.6 10.2 34.0 51.4 301 311 B Y E < - 0 0 19 -3,-2.4 2,-0.4 -110,-0.1 -108,-0.2 0.003 40.7-129.5 -55.5 161.5 13.1 34.2 53.9 302 312 B L E -i 193 0C 62 -110,-1.8 -108,-1.8 28,-0.0 2,-0.4 -0.969 13.0-148.8-119.1 132.3 16.7 34.9 52.7 303 313 B L E +im 194 329C 2 25,-2.0 27,-2.9 -2,-0.4 2,-0.3 -0.861 23.1 174.2-101.4 132.0 19.6 32.6 53.7 304 314 B M E -i 195 0C 10 -110,-2.8 -108,-2.6 -2,-0.4 2,-0.2 -0.975 30.3-121.7-140.3 154.5 23.1 34.2 54.1 305 315 B G E >> -i 196 0C 0 -2,-0.3 3,-1.8 -110,-0.2 4,-0.9 -0.624 34.8-113.6 -88.6 152.2 26.6 33.3 55.2 306 316 B H H >> S+ 0 0 0 -110,-2.2 4,-2.1 1,-0.3 3,-1.1 0.902 115.1 57.0 -51.2 -47.1 28.1 35.4 58.1 307 317 B S H 34 S+ 0 0 45 7,-1.5 -1,-0.3 1,-0.3 5,-0.1 0.622 98.5 61.9 -63.8 -13.1 30.8 36.9 55.8 308 318 B D H <4 S+ 0 0 28 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.839 111.5 37.2 -80.4 -32.0 28.1 38.3 53.5 309 319 B V H << S+ 0 0 11 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.875 127.2 9.9 -86.9 -46.3 26.6 40.4 56.3 310 320 B V S < S- 0 0 20 -4,-2.1 2,-1.4 2,-0.1 -1,-0.2 -0.876 85.7 -91.5-132.9 167.1 29.7 41.7 58.3 311 321 B N S S+ 0 0 153 -2,-0.3 2,-0.3 -254,-0.2 -4,-0.1 -0.644 76.8 124.2 -81.4 89.6 33.5 41.6 57.8 312 322 B I S S- 0 0 44 -2,-1.4 2,-1.6 2,-0.2 -2,-0.1 -0.983 71.4-111.7-149.9 156.8 34.3 38.4 59.6 313 323 B L + 0 0 128 -2,-0.3 -115,-0.1 2,-0.1 -2,-0.1 -0.624 69.5 148.9 -90.1 77.9 36.0 35.0 59.2 314 324 B S + 0 0 5 -2,-1.6 -7,-1.5 1,-0.1 -2,-0.2 -0.910 49.7 3.9-170.7 144.8 32.8 32.9 59.4 315 325 B P S S- 0 0 0 0, 0.0 -44,-0.3 0, 0.0 4,-0.2 -0.949 100.6-115.0 -83.5 13.5 31.2 30.5 58.5 316 326 B G > - 0 0 6 3,-0.1 4,-3.2 2,-0.1 3,-0.3 0.197 22.7 -93.0 101.1 137.5 34.5 29.5 56.8 317 327 B Q H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 -45,-0.2 0.883 122.8 47.4 -49.9 -50.5 35.2 29.0 53.1 318 328 B A H > S+ 0 0 15 -46,-0.9 4,-1.0 -47,-0.4 -1,-0.2 0.870 116.5 43.3 -63.1 -39.4 34.4 25.3 52.9 319 329 B L H > S+ 0 0 0 -48,-1.5 4,-2.4 -3,-0.3 5,-0.2 0.869 113.2 54.6 -73.0 -35.7 31.1 25.7 54.9 320 330 B Y H X S+ 0 0 47 -4,-3.2 4,-2.2 -49,-0.3 -2,-0.2 0.956 102.7 55.4 -60.3 -50.6 30.3 28.8 52.8 321 331 B N H < S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 111.7 45.5 -52.8 -34.1 30.8 26.9 49.5 322 332 B I H >< S+ 0 0 49 -4,-1.0 3,-1.5 -3,-0.2 -1,-0.2 0.945 112.1 46.2 -78.3 -47.7 28.2 24.3 50.7 323 333 B I H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.772 99.2 70.6 -67.0 -24.8 25.5 26.7 52.1 324 334 B S T 3< S+ 0 0 27 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.645 96.1 54.7 -66.7 -11.5 25.6 28.9 49.0 325 335 B T T < S+ 0 0 105 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.346 88.9 107.1-100.3 4.0 24.0 26.0 47.1 326 336 B W S X S- 0 0 24 -3,-1.9 3,-2.1 1,-0.1 -23,-0.1 -0.531 83.7 -87.3 -86.2 150.1 21.1 25.8 49.5 327 337 B P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.185 112.1 15.3 -53.3 142.0 17.5 27.0 48.7 328 338 B H T 3 S+ 0 0 83 1,-0.2 -25,-2.0 -26,-0.1 -4,-0.0 0.352 81.5 154.2 75.9 -6.6 17.0 30.6 49.4 329 339 B F B < -m 303 0C 15 -3,-2.1 2,-0.7 -27,-0.2 -1,-0.2 -0.309 47.9-123.9 -53.7 134.3 20.6 31.5 49.6 330 340 B K 0 0 57 -27,-2.9 -25,-0.2 1,-0.2 -1,-0.1 -0.764 360.0 360.0 -86.7 115.9 20.9 35.2 48.7 331 341 B H 0 0 138 -2,-0.7 -1,-0.2 6,-0.1 -2,-0.1 0.582 360.0 360.0 -84.9 360.0 23.4 35.4 45.9 332 !* 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 0.0 333 884 C A 0 0 27 0, 0.0 -244,-0.2 0, 0.0 -245,-0.2 0.000 360.0 360.0 360.0 143.3 22.1 50.9 47.0 334 885 C X 0 0 15 -246,-2.1 -244,-2.4 -269,-0.1 -246,-0.1 -0.807 360.0 360.0 107.1 360.0 21.0 47.3 46.4 335 ! 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 0.0 336 886 C K 0 0 66 0, 0.0 -249,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.2 26.1 43.8 46.0 337 887 C X 0 0 60 1,-0.1 -246,-2.1 -247,-0.1 -244,-0.4 -0.374 360.0 360.0 64.8-132.2 25.8 40.5 44.0 338 888 C X 0 0 68 -248,-0.3 -1,-0.1 -247,-0.1 -245,-0.0 0.868 360.0 360.0 87.3 360.0 22.2 39.6 43.0 339 !* 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 0.0 340 995 D A 0 0 24 0, 0.0 -85,-0.2 0, 0.0 -86,-0.2 0.000 360.0 360.0 360.0 149.5 29.9 36.6 66.5 341 996 D X 0 0 18 -87,-2.8 -85,-2.0 -110,-0.1 -87,-0.1 -0.766 360.0 360.0 99.6 360.0 29.4 40.3 65.8 342 ! 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 0.0 343 997 D K 0 0 103 0, 0.0 -90,-0.1 0, 0.0 -116,-0.0 0.000 360.0 360.0 360.0 144.5 25.7 42.8 70.1 344 998 D X 0 0 57 -92,-0.3 -87,-1.5 1,-0.1 -85,-0.4 -0.139 360.0 360.0 50.6-133.0 23.1 45.4 69.0 345 999 D X 0 0 111 -89,-0.3 -1,-0.1 -88,-0.1 -89,-0.0 0.513 360.0 360.0 94.2 360.0 24.0 47.2 65.7