==== 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 TRANSFERASE 14-OCT-03 1R62 . COMPND 2 MOLECULE: NITROGEN REGULATION PROTEIN NR(II); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.SONG,D.PEISACH,A.A.PIOSZAK,Z.XU,A.J.NINFA . 136 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 28.7 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 . 2 1.5 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 . 9 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 1 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 1 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 1 194 A R 0 0 238 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 -46.6 92.0 -0.6 -4.7 2 195 A V E -A 40 0A 60 38,-0.9 38,-2.2 36,-0.1 2,-0.6 -0.675 360.0-141.0 -97.1 153.9 90.4 2.8 -5.2 3 196 A T E +A 39 0A 77 -2,-0.3 2,-0.3 36,-0.2 36,-0.3 -0.932 46.5 133.1-116.0 104.6 91.1 5.8 -3.1 4 197 A E E -A 38 0A 77 34,-1.6 34,-2.4 -2,-0.6 2,-0.2 -0.866 61.1 -69.8-143.1 175.3 87.8 7.8 -2.7 5 198 A S >> - 0 0 22 -2,-0.3 3,-1.4 32,-0.3 4,-0.6 -0.508 34.0-139.1 -70.6 135.5 85.6 9.5 -0.1 6 199 A I H 3> S+ 0 0 2 30,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.684 98.1 75.4 -68.9 -15.6 84.0 7.0 2.2 7 200 A H H 3> S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.722 83.9 62.8 -70.4 -19.2 80.9 9.2 1.9 8 201 A K H <> S+ 0 0 117 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.932 109.1 40.6 -70.3 -42.9 80.2 7.9 -1.6 9 202 A V H X S+ 0 0 1 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.908 112.8 56.0 -68.7 -40.4 79.7 4.4 -0.1 10 203 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.913 109.3 46.5 -57.6 -43.3 77.8 5.9 2.8 11 204 A E H X S+ 0 0 62 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.833 108.0 55.1 -70.3 -31.7 75.4 7.5 0.4 12 205 A R H X S+ 0 0 91 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.901 109.6 49.3 -65.7 -38.2 75.0 4.4 -1.6 13 206 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.908 108.4 51.7 -66.2 -42.2 74.0 2.7 1.6 14 207 A V H X S+ 0 0 22 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.918 111.5 48.0 -61.1 -43.3 71.5 5.4 2.5 15 208 A T H >< S+ 0 0 92 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.944 113.9 45.9 -63.3 -47.3 69.9 5.1 -0.9 16 209 A L H >< S+ 0 0 60 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.920 109.2 54.2 -62.8 -45.1 69.6 1.3 -0.7 17 210 A V H >X S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 4,-1.0 0.713 90.0 77.9 -64.3 -19.1 68.3 1.2 2.9 18 211 A S T << S+ 0 0 73 -4,-1.0 -1,-0.3 -3,-0.6 3,-0.2 0.807 88.2 58.4 -60.7 -28.4 65.4 3.6 1.9 19 212 A M T <4 S+ 0 0 155 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.667 114.0 34.8 -76.6 -17.7 63.6 0.6 0.3 20 213 A E T <4 S+ 0 0 74 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.392 86.5 120.3-116.0 0.5 63.5 -1.4 3.5 21 214 A L < - 0 0 42 -4,-1.0 4,-0.0 -3,-0.2 6,-0.0 -0.547 61.9-128.2 -73.1 120.8 63.0 1.4 6.0 22 215 A P > - 0 0 56 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 -0.185 24.4-109.1 -61.5 159.5 59.8 1.1 8.1 23 216 A D T 3 S+ 0 0 180 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.777 118.8 51.6 -62.2 -27.3 57.5 4.1 8.2 24 217 A N T 3 S+ 0 0 78 38,-0.1 41,-1.8 2,-0.0 2,-0.4 0.024 96.0 82.2-100.9 26.5 58.5 4.6 11.9 25 218 A V E < -b 65 0B 14 -3,-1.5 2,-0.4 39,-0.2 41,-0.2 -0.999 57.8-164.8-133.0 130.6 62.3 4.6 11.4 26 219 A R E -b 66 0B 66 39,-2.0 41,-2.7 -2,-0.4 2,-0.6 -0.923 8.5-150.8-117.3 140.2 64.4 7.5 10.3 27 220 A L E -b 67 0B 29 -2,-0.4 2,-0.3 39,-0.2 41,-0.2 -0.950 20.4-172.4-110.7 118.8 67.9 7.3 9.0 28 221 A I E -b 68 0B 58 39,-2.9 41,-2.8 -2,-0.6 2,-0.3 -0.855 16.2-131.1-116.5 152.0 70.0 10.4 9.7 29 222 A R E +b 69 0B 141 -2,-0.3 41,-0.2 39,-0.2 39,-0.0 -0.742 21.7 173.2 -98.7 144.8 73.5 11.5 8.5 30 223 A D E +b 70 0B 54 39,-1.9 41,-2.1 -2,-0.3 2,-0.2 -0.532 24.7 173.3-146.4 69.6 76.2 12.9 10.8 31 224 A Y - 0 0 50 39,-0.2 41,-0.1 59,-0.0 39,-0.1 -0.487 32.7-137.5 -86.2 152.6 79.2 13.2 8.4 32 225 A D > - 0 0 29 -2,-0.2 3,-2.0 1,-0.1 40,-0.1 -0.898 12.9-164.8-108.1 100.4 82.6 14.7 9.1 33 226 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.674 85.0 64.8 -59.7 -18.6 83.5 16.6 5.9 34 227 A S T 3 S+ 0 0 84 -3,-0.1 38,-0.0 2,-0.0 -3,-0.0 0.516 72.2 120.0 -83.9 -3.6 87.2 16.8 7.0 35 228 A L < - 0 0 15 -3,-2.0 3,-0.1 1,-0.1 53,-0.1 -0.433 64.9-127.2 -64.4 127.3 87.5 13.1 6.7 36 229 A P - 0 0 49 0, 0.0 -30,-0.3 0, 0.0 2,-0.1 -0.290 25.9 -96.7 -71.9 160.1 90.3 12.3 4.0 37 230 A E - 0 0 108 -32,-0.1 2,-0.3 -34,-0.1 -32,-0.3 -0.446 49.0-165.3 -72.3 153.3 89.7 10.0 1.1 38 231 A L E -A 4 0A 4 -34,-2.4 -34,-1.6 -2,-0.1 2,-0.3 -0.986 25.4 -99.4-145.1 155.0 91.0 6.5 1.8 39 232 A A E +A 3 0A 64 -2,-0.3 2,-0.3 -36,-0.3 -36,-0.2 -0.570 61.5 130.8 -73.7 128.3 91.8 3.3 -0.0 40 233 A H E -A 2 0A 4 -38,-2.2 -38,-0.9 -2,-0.3 3,-0.1 -0.974 63.3-100.9-168.5 164.3 89.0 0.7 0.2 41 234 A D > - 0 0 57 -2,-0.3 4,-2.6 1,-0.2 3,-0.5 -0.854 31.1-159.9 -96.6 100.5 86.9 -1.6 -1.8 42 235 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.869 89.3 53.5 -47.9 -44.9 83.6 0.3 -2.1 43 236 A D H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.911 112.2 44.6 -59.1 -43.7 81.6 -2.8 -2.9 44 237 A Q H > S+ 0 0 46 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.916 112.9 49.1 -68.3 -44.4 82.9 -4.5 0.2 45 238 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.855 107.9 56.4 -65.4 -32.3 82.4 -1.5 2.5 46 239 A E H X S+ 0 0 38 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.937 108.5 46.5 -61.2 -46.3 78.8 -1.2 1.2 47 240 A Q H X S+ 0 0 67 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.875 110.4 54.3 -64.2 -38.3 78.1 -4.8 2.2 48 241 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.975 114.1 39.8 -58.5 -54.9 79.7 -4.1 5.6 49 242 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.865 112.2 55.4 -65.9 -38.5 77.4 -1.1 6.3 50 243 A L H X S+ 0 0 7 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.933 110.2 47.1 -59.9 -44.6 74.3 -2.7 4.8 51 244 A N H X S+ 0 0 23 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.879 113.3 47.5 -66.1 -37.1 74.6 -5.6 7.1 52 245 A I H X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.931 112.0 49.7 -70.3 -42.2 75.2 -3.5 10.2 53 246 A V H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.883 109.7 51.9 -62.7 -38.1 72.3 -1.2 9.3 54 247 A R H X S+ 0 0 92 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.839 107.2 52.4 -67.2 -32.1 70.0 -4.2 8.9 55 248 A N H X S+ 0 0 58 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.897 108.8 51.5 -67.5 -39.8 71.1 -5.5 12.3 56 249 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.885 107.5 51.2 -63.3 -41.0 70.2 -2.1 13.7 57 250 A L H X S+ 0 0 26 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.841 109.4 52.1 -64.9 -32.5 66.7 -2.3 12.1 58 251 A Q H < S+ 0 0 156 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.861 109.6 49.1 -70.1 -37.5 66.4 -5.7 13.7 59 252 A A H < S+ 0 0 36 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.969 108.7 51.0 -66.3 -54.5 67.2 -4.3 17.1 60 253 A L H >< S+ 0 0 1 -4,-2.6 3,-0.6 39,-0.4 38,-0.4 0.868 91.8 175.6 -50.6 -40.7 64.8 -1.4 16.8 61 254 A G G >< - 0 0 23 -4,-1.6 3,-1.8 1,-0.2 -1,-0.1 -0.149 54.5 -27.3 65.2-162.8 62.1 -3.9 16.0 62 255 A P G 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -38,-0.1 0.744 131.0 67.8 -55.9 -29.9 58.4 -2.9 15.5 63 256 A E G < S- 0 0 124 -3,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.698 91.1-163.2 -67.1 -19.0 58.7 0.1 17.8 64 257 A G < + 0 0 0 -3,-1.8 34,-0.4 -4,-0.3 2,-0.3 -0.140 19.9 160.4 66.3-164.9 61.0 1.7 15.3 65 258 A G E -b 25 0B 25 -41,-1.8 -39,-2.0 31,-0.2 2,-0.4 -0.989 39.0 -38.8 153.1-140.8 63.2 4.6 16.0 66 259 A E E -bC 26 95B 68 29,-2.3 29,-2.6 -2,-0.3 2,-0.4 -0.975 32.6-163.5-132.7 141.4 66.3 6.4 14.7 67 260 A I E -bC 27 94B 0 -41,-2.7 -39,-2.9 -2,-0.4 2,-0.5 -0.992 10.6-158.4-123.3 128.1 69.5 5.2 13.0 68 261 A I E -bC 28 93B 15 25,-3.4 25,-2.3 -2,-0.4 2,-0.8 -0.928 5.2-161.1-110.6 125.3 72.4 7.5 12.7 69 262 A L E -bC 29 92B 2 -41,-2.8 -39,-1.9 -2,-0.5 2,-0.3 -0.924 26.3-179.9-104.2 108.2 75.1 6.9 10.1 70 263 A R E -bC 30 91B 33 21,-2.4 21,-2.6 -2,-0.8 2,-0.4 -0.856 18.6-166.8-115.8 145.9 78.1 8.9 11.4 71 264 A T E + C 0 90B 1 -41,-2.1 2,-0.3 -2,-0.3 19,-0.2 -0.976 13.9 167.3-128.1 144.6 81.6 9.4 10.1 72 265 A R E - C 0 89B 86 17,-1.8 17,-3.0 -2,-0.4 2,-0.3 -0.989 38.1-111.8-154.2 147.3 84.5 10.9 12.0 73 266 A T E - C 0 88B 23 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.615 33.0-152.3 -78.2 141.7 88.2 11.2 11.6 74 267 A A E - C 0 87B 13 13,-3.2 13,-2.3 -2,-0.3 3,-0.4 -0.976 6.4-156.1-121.0 119.8 90.0 9.1 14.3 75 268 A F E S+ C 0 86B 141 -2,-0.5 11,-0.2 1,-0.2 10,-0.2 -0.748 71.0 0.6 -98.2 142.8 93.5 10.2 15.4 76 269 A Q E S+ 0 0 115 9,-1.2 2,-0.4 -2,-0.3 -1,-0.2 0.924 86.0 171.3 48.5 54.2 96.1 7.9 16.9 77 270 A L E - C 0 84B 24 7,-1.7 7,-3.2 -3,-0.4 2,-0.4 -0.803 28.6-131.0 -97.7 134.0 93.8 4.9 16.6 78 271 A T E + C 0 83B 65 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.691 25.6 176.5 -90.3 131.7 95.1 1.4 17.3 79 272 A L E > S- C 0 82B 1 3,-2.7 3,-1.6 -2,-0.4 38,-0.1 -0.988 72.3 -16.0-133.7 120.8 94.4 -1.4 14.8 80 273 A H T 3 S- 0 0 114 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.909 129.7 -48.4 51.3 50.2 95.9 -4.8 15.4 81 274 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.464 118.7 101.3 74.8 1.1 98.4 -3.6 17.9 82 275 A E E < -C 79 0B 95 -3,-1.6 -3,-2.7 -5,-0.0 2,-0.5 -0.950 68.8-127.4-120.9 140.9 99.7 -0.7 15.9 83 276 A R E -C 78 0B 157 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.740 21.4-155.8 -90.0 126.3 98.8 3.0 16.3 84 277 A Y E -C 77 0B 27 -7,-3.2 -7,-1.7 -2,-0.5 53,-0.2 -0.834 14.9-144.5-100.7 135.3 97.7 4.8 13.2 85 278 A R E S+ 0 0 140 52,-2.0 -9,-1.2 51,-0.5 2,-0.4 0.883 88.8 20.8 -63.6 -36.7 98.0 8.5 12.9 86 279 A L E +CD 75 136B 41 50,-2.8 50,-2.4 -11,-0.2 49,-2.3 -0.992 67.0 158.2-141.0 133.0 94.7 8.6 11.0 87 280 A A E -CD 74 134B 0 -13,-2.3 -13,-3.2 -2,-0.4 2,-0.5 -0.947 35.6-117.8-143.8 160.9 91.8 6.3 10.6 88 281 A A E -CD 73 133B 0 45,-3.2 45,-2.3 -2,-0.3 2,-0.6 -0.901 21.4-158.6-105.3 129.7 88.1 6.6 9.6 89 282 A R E -CD 72 132B 74 -17,-3.0 -17,-1.8 -2,-0.5 2,-0.6 -0.936 8.1-174.0-109.1 121.0 85.4 5.8 12.2 90 283 A I E -CD 71 131B 3 41,-3.3 41,-3.3 -2,-0.6 2,-0.3 -0.959 8.5-166.2-116.6 118.2 82.0 5.0 10.8 91 284 A D E -CD 70 130B 4 -21,-2.6 -21,-2.4 -2,-0.6 2,-0.5 -0.779 18.4-165.4-106.5 149.2 79.2 4.5 13.3 92 285 A V E +CD 69 129B 3 37,-2.2 37,-2.1 -2,-0.3 2,-0.4 -0.944 24.2 177.6-127.9 102.4 75.8 3.0 13.0 93 286 A E E -CD 68 128B 14 -25,-2.3 -25,-3.4 -2,-0.5 2,-0.3 -0.929 10.1-161.4-114.0 131.7 73.9 4.1 16.1 94 287 A D E -CD 67 127B 3 33,-2.4 33,-1.3 -2,-0.4 2,-0.4 -0.875 8.0-163.9-117.0 149.1 70.2 3.3 16.8 95 288 A N E +CD 66 126B 38 -29,-2.6 -29,-2.3 -2,-0.3 31,-0.2 -0.998 27.9 148.4-125.4 124.0 67.7 4.8 19.2 96 289 A G > - 0 0 12 29,-1.1 3,-2.7 -2,-0.4 -31,-0.2 -0.944 54.1-131.4-164.9 140.9 64.5 2.9 20.0 97 290 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.869 119.6 44.4 -54.2 -38.6 61.9 2.1 22.7 98 291 A G T 3 0 0 36 -34,-0.4 -34,-0.1 -38,-0.4 -33,-0.1 0.150 360.0 360.0 -92.2 19.6 62.4 -1.5 22.0 99 292 A I < 0 0 106 -3,-2.7 -39,-0.4 -35,-0.1 -3,-0.2 -0.315 360.0 360.0 75.7 360.0 66.2 -0.9 22.0 100 ! 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 0.0 101 313 A G > 0 0 92 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 140.7 74.2 -13.5 12.2 102 314 A L H > + 0 0 129 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.874 360.0 58.8 -63.6 -39.2 75.9 -14.3 8.9 103 315 A G H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 107.5 46.1 -58.1 -41.2 75.6 -10.6 7.8 104 316 A L H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 112.5 50.2 -69.7 -37.2 77.6 -9.5 10.9 105 317 A S H X S+ 0 0 66 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.892 111.0 49.4 -66.7 -40.6 80.2 -12.3 10.3 106 318 A I H X S+ 0 0 57 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.929 110.2 51.1 -63.1 -45.1 80.5 -11.2 6.7 107 319 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.910 109.5 50.2 -59.7 -43.8 80.9 -7.6 7.8 108 320 A R H X S+ 0 0 110 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.931 111.7 47.6 -60.6 -45.8 83.7 -8.5 10.3 109 321 A N H X S+ 0 0 88 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 110.6 51.0 -62.5 -43.4 85.6 -10.5 7.7 110 322 A L H X S+ 0 0 18 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.875 111.2 48.9 -64.5 -36.2 85.4 -7.7 5.1 111 323 A I H ><>S+ 0 0 0 -4,-2.0 5,-2.5 -5,-0.2 3,-0.7 0.889 107.8 54.0 -71.4 -35.4 86.7 -5.2 7.7 112 324 A D H ><5S+ 0 0 88 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.903 102.4 58.1 -63.5 -36.8 89.5 -7.6 8.6 113 325 A Q H 3<5S+ 0 0 105 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.780 106.8 49.1 -61.2 -26.1 90.4 -7.7 4.9 114 326 A H T <<5S- 0 0 29 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.307 117.7-117.1 -94.6 7.5 90.8 -3.9 5.2 115 327 A S T < 5S+ 0 0 58 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.787 77.4 116.9 61.1 30.4 93.0 -4.3 8.3 116 328 A G < - 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