==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDOGLYCAN-BINDING PROTEIN 03-FEB-07 2EAX . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN-I-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHO . 497 5 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.6 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 . 3 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 . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 0 0 3 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 0 3 3 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 0 3 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 3 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 1 210 A a 0 0 37 0, 0.0 3,-0.2 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 134.1 8.9 -7.0 -2.5 2 211 A P + 0 0 121 0, 0.0 3,-0.1 0, 0.0 121,-0.1 -0.204 360.0 49.0 -65.1 158.4 9.3 -5.0 -5.7 3 212 A G S S+ 0 0 54 1,-0.2 72,-1.5 71,-0.0 2,-0.4 0.781 78.9 124.4 83.3 31.1 10.1 -1.3 -5.8 4 213 A I E -a 75 0A 45 -3,-0.2 -1,-0.2 70,-0.1 72,-0.2 -0.974 50.6-149.1-129.5 120.1 13.1 -1.5 -3.4 5 214 A V E -a 76 0A 27 70,-2.5 72,-1.5 -2,-0.4 5,-0.0 -0.767 30.5-131.4 -86.2 122.9 16.7 -0.2 -4.1 6 215 A P >> - 0 0 54 0, 0.0 4,-1.3 0, 0.0 3,-1.2 -0.233 20.1-100.4 -75.2 161.9 19.2 -2.4 -2.2 7 216 A R H 3>>S+ 0 0 53 1,-0.3 5,-1.9 2,-0.2 4,-0.8 0.847 120.1 54.5 -46.9 -45.3 22.2 -1.5 0.1 8 217 A S H 345S+ 0 0 103 3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.831 103.5 57.4 -62.4 -32.7 24.7 -2.1 -2.7 9 218 A V H <45S+ 0 0 81 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.8 34.1 -67.1 -43.4 23.0 0.3 -5.1 10 219 A W H <5S- 0 0 3 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.429 117.8-113.0 -91.5 2.1 23.1 3.3 -2.7 11 220 A G T <5 - 0 0 44 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.942 40.6-166.4 71.5 56.5 26.5 2.2 -1.4 12 221 A A < - 0 0 30 -5,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.262 21.9-109.7 -72.7 157.6 26.0 1.2 2.3 13 222 A R - 0 0 98 35,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.563 40.5 -99.2 -84.6 150.2 28.9 0.6 4.8 14 223 A E + 0 0 171 -2,-0.2 2,-0.3 48,-0.0 -1,-0.1 -0.464 51.1 159.0 -74.3 140.1 29.5 -2.9 6.0 15 224 A T - 0 0 36 -2,-0.2 2,-0.2 2,-0.1 47,-0.1 -0.930 34.4-147.0-151.0 170.7 28.2 -4.1 9.4 16 225 A H + 0 0 162 -2,-0.3 46,-0.0 45,-0.2 -2,-0.0 -0.656 35.6 159.6-148.2 85.1 27.3 -7.2 11.4 17 226 A b - 0 0 23 -2,-0.2 -2,-0.1 1,-0.1 67,-0.0 -0.672 46.1 -69.5-111.1 162.8 24.3 -6.6 13.8 18 227 A P - 0 0 86 0, 0.0 66,-1.9 0, 0.0 -1,-0.1 -0.127 53.1-122.1 -50.2 134.2 21.7 -8.8 15.6 19 228 A R B -G 83 0B 165 64,-0.2 64,-0.3 1,-0.1 2,-0.3 -0.390 16.3-125.4 -83.1 157.4 19.1 -10.6 13.5 20 229 A M - 0 0 12 62,-1.4 2,-0.5 -2,-0.1 74,-0.1 -0.732 13.6-133.3-101.6 149.3 15.3 -10.3 13.6 21 230 A T - 0 0 110 72,-0.4 62,-0.0 -2,-0.3 61,-0.0 -0.913 38.4-103.4-106.7 119.8 12.8 -13.1 14.0 22 231 A L S S+ 0 0 57 -2,-0.5 2,-0.1 2,-0.1 108,-0.1 -0.618 87.1 43.6 -94.9 152.7 9.8 -13.1 11.6 23 232 A P S S- 0 0 49 0, 0.0 2,-0.5 0, 0.0 107,-0.3 0.581 73.5-148.4 -78.1 171.5 6.9 -12.5 11.6 24 233 A A E -b 130 0A 1 105,-1.6 107,-1.1 -2,-0.1 71,-0.1 -0.914 7.2-152.1-108.8 129.6 6.8 -9.2 13.6 25 234 A K E S+ 0 0 58 -2,-0.5 110,-2.4 69,-0.4 2,-0.3 0.733 76.7 51.9 -72.0 -23.8 3.7 -8.4 15.7 26 235 A Y E -bc 135 95A 20 68,-1.7 70,-1.4 108,-0.2 2,-0.4 -0.834 59.8-158.5-118.7 155.8 4.1 -4.6 15.4 27 236 A G E -bc 136 96A 2 108,-2.0 110,-2.0 -2,-0.3 2,-0.6 -0.997 16.3-158.6-128.8 123.1 4.5 -2.1 12.6 28 237 A I E -bc 137 97A 4 68,-2.1 70,-3.3 -2,-0.4 2,-0.6 -0.907 6.6-156.0-116.2 117.7 6.0 1.3 13.5 29 238 A I E +bc 138 98A 8 108,-2.0 110,-1.6 -2,-0.6 2,-0.3 -0.771 28.7 163.4 -89.4 121.3 5.5 4.4 11.4 30 239 A I E - c 0 99A 1 68,-2.8 70,-1.7 -2,-0.6 2,-0.3 -0.831 25.7-149.0-132.5 167.4 8.4 6.9 12.1 31 240 A H E - c 0 100A 18 68,-0.3 70,-0.2 -2,-0.3 72,-0.1 -0.978 18.1-134.7-138.2 150.7 9.9 10.0 10.5 32 241 A T - 0 0 31 68,-1.5 71,-0.2 -2,-0.3 69,-0.1 0.739 26.6-140.6 -77.4 -24.3 13.5 11.3 10.5 33 242 A A S S+ 0 0 60 69,-2.4 70,-0.3 67,-0.3 2,-0.1 0.793 71.1 100.2 65.8 27.0 12.6 14.9 11.3 34 243 A G S S- 0 0 35 68,-0.6 -1,-0.2 1,-0.2 2,-0.1 -0.270 81.8 -48.5-120.5-153.6 15.4 15.8 8.8 35 244 A R - 0 0 129 67,-0.2 -1,-0.2 -2,-0.1 2,-0.1 -0.470 52.6-137.8 -84.4 158.3 15.7 16.9 5.2 36 245 A T - 0 0 45 -2,-0.1 2,-0.3 67,-0.1 66,-0.2 -0.397 5.9-139.2-106.4-175.9 13.8 15.1 2.4 37 246 A c + 0 0 0 64,-0.4 34,-1.8 -2,-0.1 35,-0.1 -0.996 17.5 178.1-147.8 143.0 14.7 14.0 -1.2 38 247 A N + 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.603 67.9 59.3-118.8 -21.9 12.8 14.1 -4.5 39 248 A I S >> S- 0 0 98 1,-0.1 3,-2.0 33,-0.0 4,-1.7 -0.952 80.5-123.0-117.0 133.1 15.3 12.7 -7.1 40 249 A S H 3> S+ 0 0 57 -2,-0.4 4,-2.5 1,-0.3 3,-0.4 0.814 109.0 50.9 -33.2 -63.3 16.9 9.2 -7.0 41 250 A D H 3> S+ 0 0 95 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.771 113.2 49.4 -53.9 -26.8 20.6 10.3 -7.1 42 251 A E H <> S+ 0 0 78 -3,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.846 109.5 49.6 -80.5 -38.1 19.8 12.7 -4.2 43 252 A c H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.4 5,-0.2 0.910 104.3 58.5 -67.3 -43.0 18.0 10.1 -2.1 44 253 A R H X S+ 0 0 88 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.854 109.4 46.5 -55.0 -36.3 20.8 7.5 -2.4 45 254 A L H X S+ 0 0 78 -4,-0.7 4,-1.8 -5,-0.3 -1,-0.2 0.883 108.6 53.0 -74.6 -40.0 23.1 10.1 -0.9 46 255 A L H X S+ 0 0 5 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.861 106.7 54.7 -63.7 -34.8 20.7 11.1 2.0 47 256 A V H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 106.0 51.0 -66.0 -38.0 20.5 7.4 2.9 48 257 A R H X S+ 0 0 88 -4,-1.0 4,-1.8 -5,-0.2 -1,-0.2 0.884 108.6 53.1 -66.3 -37.9 24.3 7.2 3.2 49 258 A D H X S+ 0 0 74 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.862 108.3 49.6 -65.5 -38.0 24.2 10.3 5.5 50 259 A I H X S+ 0 0 33 -4,-1.8 4,-1.5 2,-0.2 3,-0.4 0.919 108.5 51.3 -69.4 -44.8 21.7 8.7 7.8 51 260 A Q H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.932 108.7 51.2 -57.6 -47.6 23.5 5.4 8.2 52 261 A S H X>S+ 0 0 35 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.768 105.4 57.3 -61.8 -27.8 26.8 7.1 9.1 53 262 A F H X>S+ 0 0 110 -4,-1.0 5,-1.8 -3,-0.4 4,-1.2 0.889 107.8 45.7 -70.6 -41.2 25.1 9.2 11.8 54 263 A Y H <5S+ 0 0 30 -4,-1.5 6,-3.2 -3,-0.3 -2,-0.2 0.909 121.8 38.4 -66.7 -43.1 23.8 6.2 13.7 55 264 A I H <5S+ 0 0 35 -4,-1.9 4,-0.2 4,-0.2 -2,-0.2 0.950 125.8 31.7 -74.1 -55.2 27.1 4.4 13.5 56 265 A D H <5S+ 0 0 61 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.887 132.7 24.7 -74.3 -41.3 29.6 7.3 14.0 57 266 A R T < - 0 0 0 4,-2.2 3,-0.7 -2,-0.4 -32,-0.1 -0.691 30.0-123.5-107.3 162.6 11.8 8.8 -0.6 71 280 A Q T 3 S+ 0 0 35 -34,-1.8 41,-0.1 -2,-0.2 42,-0.1 0.172 101.1 81.3 -91.1 17.5 9.5 11.3 -2.4 72 281 A D T 3 S- 0 0 42 2,-0.2 -1,-0.2 -35,-0.1 -32,-0.1 0.243 118.4-103.0 -99.5 7.8 10.8 10.0 -5.8 73 282 A G S < S+ 0 0 35 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.520 84.8 118.0 82.9 8.9 8.3 7.2 -5.3 74 283 A A - 0 0 23 -70,-0.0 -4,-2.2 -69,-0.0 2,-0.4 -0.718 56.8-133.1-111.7 159.9 10.9 4.6 -4.3 75 284 A I E -aD 4 69A 8 -72,-1.5 -70,-2.5 -2,-0.3 2,-0.5 -0.891 17.5-154.5-109.8 138.0 11.7 2.5 -1.2 76 285 A Y E -aD 5 68A 4 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.957 15.4-126.2-121.3 124.8 15.2 2.2 0.4 77 286 A E E + D 0 67A 49 -72,-1.5 -10,-0.2 -2,-0.5 -11,-0.1 -0.456 27.7 174.8 -67.5 122.5 16.5 -0.7 2.5 78 287 A G S S- 0 0 1 -12,-2.2 -12,-0.2 -2,-0.3 -15,-0.2 0.889 80.5 -26.4 -90.0 -79.6 17.9 0.3 5.9 79 288 A V S S- 0 0 13 -14,-1.0 3,-0.2 -13,-0.3 -13,-0.2 0.552 99.2-136.3-110.1 -17.5 18.8 -2.9 7.8 80 289 A G - 0 0 1 -14,-1.6 3,-0.5 -15,-0.3 -1,-0.2 -0.424 32.1 -54.4 97.4-170.8 16.2 -5.0 6.0 81 290 A W S S+ 0 0 37 1,-0.2 -1,-0.2 -2,-0.1 -14,-0.1 0.824 129.3 51.8 -77.9 -32.0 13.6 -7.6 6.9 82 291 A N S S+ 0 0 81 -3,-0.2 -62,-1.4 -16,-0.1 2,-0.4 0.244 97.9 70.4 -94.4 13.7 16.1 -9.8 8.6 83 292 A V B S-G 19 0B 23 -3,-0.5 -64,-0.2 -64,-0.3 -4,-0.1 -0.986 76.9-117.7-133.4 142.2 17.8 -7.4 11.1 84 293 A Q - 0 0 67 -66,-1.9 2,-0.1 -2,-0.4 9,-0.1 -0.452 26.3-150.8 -73.8 145.4 16.6 -5.7 14.2 85 294 A G - 0 0 11 7,-0.4 2,-0.2 10,-0.3 -20,-0.2 -0.309 10.1-130.5 -99.6-169.7 16.5 -1.9 14.2 86 295 A S + 0 0 50 -22,-0.8 -22,-0.1 -2,-0.1 -21,-0.1 -0.653 67.2 98.9-149.4 87.8 16.9 0.3 17.3 87 296 A S S S+ 0 0 28 -2,-0.2 -1,-0.1 1,-0.1 -22,-0.1 0.440 76.3 50.0-146.0 -12.8 14.3 3.1 17.8 88 297 A T S >> S- 0 0 0 55,-0.1 3,-2.3 -3,-0.1 4,-1.0 -0.803 76.9-137.5-137.8 94.3 11.7 1.8 20.3 89 298 A P T 34 S+ 0 0 68 0, 0.0 314,-0.1 0, 0.0 -3,-0.0 -0.294 90.9 14.3 -55.3 112.7 13.1 0.4 23.6 90 299 A G T 34 S+ 0 0 2 -2,-0.3 284,-0.1 314,-0.1 313,-0.0 0.241 123.6 59.2 107.7 -12.9 11.2 -2.8 24.5 91 300 A Y T X4 S+ 0 0 9 -3,-2.3 3,-1.4 51,-0.1 -65,-0.2 0.383 73.8 97.5-123.4 -4.5 9.5 -3.3 21.1 92 301 A D G >< S+ 0 0 34 -4,-1.0 3,-1.0 1,-0.3 -7,-0.4 0.853 80.6 51.3 -55.7 -44.9 12.6 -3.7 18.9 93 302 A D G 3 S+ 0 0 26 1,-0.2 -72,-0.4 -9,-0.1 -1,-0.3 0.443 118.5 39.2 -78.2 4.4 12.9 -7.5 18.7 94 303 A I G < S+ 0 0 14 -3,-1.4 -68,-1.7 -70,-0.1 -69,-0.4 0.080 106.4 67.7-139.2 25.4 9.2 -7.7 17.7 95 304 A A E < -c 26 0A 5 -3,-1.0 2,-0.5 -70,-0.2 -10,-0.3 -0.970 61.8-134.1-147.9 161.2 8.6 -4.8 15.3 96 305 A L E -c 27 0A 7 -70,-1.4 -68,-2.1 -2,-0.3 2,-0.4 -0.948 23.8-147.0-118.5 108.9 9.4 -3.4 11.8 97 306 A G E -c 28 0A 6 -2,-0.5 -30,-1.7 -70,-0.2 -31,-0.8 -0.636 15.5-176.4 -81.2 126.3 10.2 0.3 11.7 98 307 A I E +ce 29 67A 12 -70,-3.3 -68,-2.8 -2,-0.4 2,-0.4 -0.979 9.1 178.6-122.4 116.9 9.2 2.2 8.6 99 308 A T E -ce 30 68A 0 -32,-1.9 -30,-1.5 -2,-0.5 2,-0.4 -0.968 24.8-136.3-129.1 134.9 10.2 5.8 8.3 100 309 A F E -ce 31 69A 3 -70,-1.7 -68,-1.5 -2,-0.4 2,-0.8 -0.684 30.7-117.8 -83.9 130.6 9.8 8.6 5.7 101 310 A M S S+ 0 0 1 -32,-2.1 -64,-0.4 -2,-0.4 2,-0.3 -0.569 81.7 37.7 -70.3 106.6 12.9 10.7 5.0 102 311 A G S S- 0 0 1 -2,-0.8 -69,-2.4 -66,-0.2 -68,-0.6 -0.933 93.1 -66.7 147.9-170.8 11.8 14.2 6.1 103 312 A T + 0 0 69 -2,-0.3 4,-0.3 -70,-0.3 3,-0.2 -0.963 40.8 170.5-122.3 115.7 9.8 16.2 8.6 104 313 A F + 0 0 10 -2,-0.5 48,-1.2 44,-0.2 47,-0.2 -0.326 35.9 117.1-123.0 53.3 6.0 15.8 8.5 105 314 A T S S+ 0 0 86 44,-0.2 46,-0.8 46,-0.2 45,-0.2 0.755 99.9 9.6 -86.6 -27.5 4.5 17.5 11.6 106 315 A G S S+ 0 0 54 1,-0.3 -2,-0.1 -3,-0.2 -1,-0.0 0.669 131.2 46.4-119.2 -36.1 2.5 20.0 9.5 107 316 A I S S- 0 0 125 -4,-0.3 -1,-0.3 0, 0.0 45,-0.1 -0.953 73.0-145.6-117.0 124.6 2.8 18.7 5.9 108 317 A P - 0 0 54 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.295 33.7 -84.8 -80.0 168.6 2.3 15.0 5.0 109 318 A P - 0 0 6 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 -0.383 50.4 -93.4 -73.8 152.8 4.3 13.2 2.2 110 319 A N > - 0 0 51 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 0.028 40.5 -99.0 -58.2 171.1 3.2 13.3 -1.5 111 320 A A H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.861 119.5 60.4 -61.5 -39.0 1.0 10.6 -3.0 112 321 A A H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.919 109.0 41.6 -55.8 -49.0 3.9 8.7 -4.5 113 322 A A H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.901 113.7 50.7 -68.5 -44.1 5.6 8.1 -1.2 114 323 A L H X S+ 0 0 25 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.872 108.9 53.0 -62.8 -38.0 2.4 7.2 0.7 115 324 A E H X S+ 0 0 120 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.837 108.1 50.4 -65.8 -35.4 1.4 4.7 -2.0 116 325 A A H X S+ 0 0 13 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.815 109.0 51.8 -73.5 -30.8 4.8 2.9 -1.7 117 326 A A H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.928 112.2 44.1 -71.0 -46.5 4.5 2.7 2.1 118 327 A Q H X S+ 0 0 80 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.859 112.9 52.8 -66.2 -36.7 1.0 1.1 2.0 119 328 A D H X S+ 0 0 102 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.907 109.0 50.2 -64.9 -40.9 2.1 -1.2 -0.8 120 329 A L H X S+ 0 0 9 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.935 110.9 48.0 -62.7 -48.1 5.1 -2.4 1.2 121 330 A I H X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 112.9 48.2 -60.0 -43.4 3.0 -3.1 4.3 122 331 A Q H X S+ 0 0 120 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.888 112.2 49.0 -65.1 -38.8 0.5 -5.1 2.3 123 332 A a H X S+ 0 0 27 -4,-2.3 4,-1.1 1,-0.2 6,-0.2 0.755 109.0 56.5 -70.3 -24.3 3.3 -7.0 0.6 124 333 A A H <>S+ 0 0 1 -4,-1.5 5,-2.2 2,-0.2 6,-1.1 0.901 109.8 41.4 -73.1 -44.6 4.7 -7.6 4.1 125 334 A M H ><5S+ 0 0 65 -4,-2.0 3,-1.7 4,-0.2 -2,-0.2 0.914 112.1 55.2 -69.5 -44.9 1.6 -9.3 5.5 126 335 A V H 3<5S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 109.9 46.3 -58.4 -35.7 0.9 -11.3 2.3 127 336 A K T 3<5S- 0 0 109 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.276 119.2-108.5 -92.6 10.6 4.4 -12.8 2.4 128 337 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.564 84.7 125.1 76.4 8.5 4.2 -13.6 6.2 129 338 A Y S - 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0 0 41 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.093 19.5-103.3 -66.4 164.1 1.8 -3.0 29.0 337 216 C R H 3>>S+ 0 0 47 1,-0.2 5,-2.2 2,-0.2 4,-0.5 0.864 120.9 56.7 -56.8 -37.9 0.6 -6.1 30.9 338 217 C S H 345S+ 0 0 93 3,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.841 102.9 55.6 -65.5 -31.5 -0.8 -7.6 27.7 339 218 C V H <45S+ 0 0 21 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.5 34.0 -69.4 -41.8 2.6 -7.3 26.0 340 219 C W H <5S- 0 0 2 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.320 118.3-111.5 -93.9 5.2 4.7 -9.3 28.6 341 220 C G T <5 - 0 0 7 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.951 41.2-167.0 68.0 59.3 1.7 -11.6 29.3 342 221 C A < - 0 0 10 -5,-2.2 -163,-0.3 1,-0.1 2,-0.1 -0.377 22.5-111.4 -76.8 152.9 0.4 -10.9 32.8 343 222 C R - 0 0 30 -165,-0.1 2,-0.3 35,-0.1 -165,-0.2 -0.459 39.7-100.7 -78.6 155.7 -2.1 -13.1 34.7 344 223 C E + 0 0 56 -167,-0.7 2,-0.3 -172,-0.2 -1,-0.1 -0.602 49.9 158.5 -84.0 137.7 -5.6 -11.7 35.4 345 224 C T - 0 0 38 -2,-0.3 2,-0.1 -169,-0.1 47,-0.1 -0.907 34.5-147.0-146.4 171.8 -6.5 -10.3 38.8 346 225 C H + 0 0 150 -2,-0.3 3,-0.1 45,-0.2 46,-0.0 -0.568 35.3 165.2-146.6 77.8 -9.0 -8.0 40.5 347 226 C h - 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q 0 429E 2 68,-2.2 70,-2.7 -2,-0.5 2,-0.3 -0.908 24.0-150.8-134.6 158.9 12.9 -0.7 45.8 361 240 C H E - q 0 430E 16 -2,-0.3 70,-0.2 68,-0.3 72,-0.1 -0.948 19.8-135.1-125.9 149.0 15.2 -3.4 44.4 362 241 C T - 0 0 30 68,-1.9 71,-0.2 70,-0.4 69,-0.1 0.712 28.4-136.3 -77.2 -20.3 14.1 -7.0 44.0 363 242 C A S S+ 0 0 59 69,-2.0 70,-0.3 67,-0.3 2,-0.1 0.798 72.8 88.3 67.2 30.1 17.4 -8.4 45.5 364 243 C G S S- 0 0 35 68,-0.4 69,-0.3 1,-0.2 -1,-0.2 -0.414 83.3 -37.7-132.6-152.6 17.5 -11.0 42.7 365 244 C R - 0 0 139 67,-0.2 -1,-0.2 -2,-0.1 2,-0.2 -0.332 53.9-141.0 -77.2 161.3 18.6 -11.6 39.1 366 245 C T - 0 0 53 -2,-0.1 2,-0.3 67,-0.1 66,-0.1 -0.595 1.7-136.8-118.4 178.1 18.6 -9.0 36.3 367 246 C i + 0 0 1 64,-0.4 34,-1.5 -2,-0.2 35,-0.1 -0.998 17.4 174.3-140.2 140.7 17.8 -8.6 32.6 368 247 C N + 0 0 97 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.605 67.1 60.4-117.6 -23.9 19.6 -6.7 29.7 369 248 C I S >> S- 0 0 96 1,-0.1 4,-1.6 -279,-0.0 3,-1.4 -0.925 81.3-121.2-114.6 137.7 17.7 -7.7 26.5 370 249 C S H >> S+ 0 0 21 -2,-0.4 4,-2.3 1,-0.3 3,-1.2 0.848 109.3 46.5 -33.7 -72.4 13.9 -7.1 25.9 371 250 C D H 3> S+ 0 0 81 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.772 114.1 54.1 -49.7 -26.4 12.6 -10.7 25.3 372 251 C E H <> S+ 0 0 78 -3,-1.4 4,-1.0 2,-0.2 -1,-0.3 0.832 107.3 47.8 -78.2 -35.1 14.6 -11.6 28.5 373 252 C i H XX S+ 0 0 0 -4,-1.6 4,-1.7 -3,-1.2 3,-0.5 0.903 102.0 62.2 -72.5 -41.8 13.0 -8.9 30.6 374 253 C R H 3X S+ 0 0 29 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.872 107.1 48.2 -50.2 -37.7 9.5 -9.8 29.6 375 254 C L H 3X S+ 0 0 78 -4,-0.8 4,-1.7 -5,-0.3 -1,-0.3 0.809 104.3 57.4 -73.7 -33.5 10.1 -13.2 31.2 376 255 C L H S+ 0 0 36 -4,-1.8 4,-2.4 1,-0.2 5,-0.6 0.818 105.4 54.8 -60.5 -34.3 3.8 -15.5 40.0 383 262 C F H X>S+ 0 0 115 -4,-1.2 5,-2.0 3,-0.2 4,-1.5 0.915 110.1 46.7 -67.4 -42.1 5.9 -15.5 43.2 384 263 C Y H <>S+ 0 0 11 -4,-1.7 6,-2.7 3,-0.2 5,-0.5 0.928 119.2 38.8 -65.4 -47.1 3.7 -12.9 44.8 385 264 C I H <5S+ 0 0 35 -4,-2.2 4,-0.2 4,-0.2 -2,-0.2 0.953 128.9 29.4 -68.7 -52.1 0.4 -14.6 43.9 386 265 C D H <5S+ 0 0 42 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.917 132.8 25.7 -78.1 -48.2 1.5 -18.2 44.5 387 266 C R T < - 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