==== 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 HYDROLASE 19-JAN-09 2ZYC . COMPND 2 MOLECULE: PEPTIDOGLYCAN HYDROLASE FLGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP. A1; . AUTHOR A.OCHIAI,B.MIKAMI,W.HASHIMOTO,K.MURATA . 156 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 64.1 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 3 0 1 0 1 0 0 0 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 153 A A > 0 0 48 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -20.8 -21.7 20.6 10.8 2 154 A Q H > + 0 0 59 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.905 360.0 49.9 -60.2 -42.7 -21.5 22.2 14.3 3 155 A A H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.844 107.4 56.0 -65.5 -33.5 -20.9 18.9 16.1 4 156 A F H > S+ 0 0 15 32,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.950 111.4 42.7 -59.4 -51.7 -18.2 18.0 13.6 5 157 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.927 114.6 50.3 -58.3 -49.9 -16.3 21.3 14.4 6 158 A D H < S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.9 44.7 -56.9 -41.9 -16.9 20.8 18.2 7 159 A A H X S+ 0 0 48 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.880 117.8 41.0 -70.9 -42.4 -15.6 17.2 18.0 8 160 A T H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.776 94.1 83.5 -82.5 -25.8 -12.5 17.9 15.8 9 161 A W H X S+ 0 0 105 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.870 92.4 42.8 -48.3 -54.7 -11.4 21.2 17.5 10 162 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 118.2 46.5 -64.1 -38.3 -9.4 19.7 20.4 11 163 A Q H X S+ 0 0 29 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.915 114.1 47.9 -66.6 -44.0 -7.8 17.1 18.3 12 164 A A H X S+ 0 0 0 -4,-3.2 4,-3.4 2,-0.2 5,-0.2 0.892 110.9 52.0 -61.1 -43.3 -7.0 19.7 15.6 13 165 A A H X S+ 0 0 11 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.939 110.3 47.8 -59.8 -48.3 -5.6 22.0 18.2 14 166 A K H X S+ 0 0 104 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.945 118.0 41.1 -57.2 -51.5 -3.3 19.3 19.6 15 167 A A H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.904 112.5 54.1 -64.5 -43.3 -2.1 18.3 16.1 16 168 A A H X>S+ 0 0 2 -4,-3.4 5,-2.0 1,-0.2 4,-1.2 0.879 106.2 53.3 -60.7 -38.0 -1.8 22.0 14.9 17 169 A Q H <5S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.9 44.9 -66.2 -33.9 0.4 22.8 17.9 18 170 A S H <5S+ 0 0 77 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.715 117.7 44.7 -79.6 -22.2 2.7 19.8 16.9 19 171 A L H <5S- 0 0 6 -4,-1.7 88,-0.4 2,-0.2 -2,-0.2 0.521 109.0-122.9 -97.8 -8.5 2.7 20.9 13.2 20 172 A G T <5S+ 0 0 39 -4,-1.2 87,-2.1 1,-0.3 -3,-0.2 0.875 73.0 107.8 67.1 42.8 3.2 24.6 13.9 21 173 A V S > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.403 37.7-125.7 -64.7 141.5 -3.4 27.3 13.3 23 175 A A H >> S+ 0 0 14 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.846 106.6 61.1 -54.3 -40.0 -5.9 24.7 14.6 24 176 A H H 3> S+ 0 0 52 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.726 92.3 66.8 -67.4 -19.8 -8.7 25.8 12.2 25 177 A F H <> S+ 0 0 4 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.906 106.3 42.3 -60.6 -40.9 -6.5 25.0 9.2 26 178 A L H S+ 0 0 1 -4,-2.4 5,-2.4 2,-0.2 4,-0.9 0.901 110.2 47.4 -60.1 -46.1 -14.3 19.5 6.7 32 184 A L H ><5S+ 0 0 59 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.925 112.6 50.3 -62.4 -43.7 -13.3 19.7 3.0 33 185 A E H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 124.7 25.0 -66.1 -30.1 -12.3 16.0 2.9 34 186 A T H 3<>S- 0 0 0 -4,-1.6 5,-3.1 -5,-0.1 6,-0.3 0.201 107.7-105.6-125.4 14.7 -15.5 14.7 4.5 35 187 A G T X<5S- 0 0 27 -4,-0.9 3,-2.0 -3,-0.5 -3,-0.2 0.965 87.1 -47.8 55.1 54.7 -18.2 17.3 3.7 36 188 A W T 3 5S+ 0 0 23 -7,-0.4 3,-0.8 -6,-0.2 -1,-0.3 0.179 118.3 108.5 90.5 -14.7 -18.4 14.9 8.5 38 190 A K T < 5S+ 0 0 161 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.745 82.2 35.9 -68.4 -28.0 -21.2 13.8 6.1 39 191 A S T 3 - 0 0 15 4,-3.0 3,-1.9 -2,-0.3 23,-0.1 -0.403 34.7-110.0 -72.2 157.9 -16.3 0.0 8.0 44 196 A K T 3 S+ 0 0 210 1,-0.3 -1,-0.1 2,-0.1 22,-0.0 0.800 118.0 61.6 -61.6 -28.4 -18.8 -2.7 6.9 45 197 A D T 3 S- 0 0 115 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.402 121.9-105.9 -78.9 2.4 -19.9 -3.2 10.5 46 198 A G S < S+ 0 0 36 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.283 80.6 128.2 91.2 -10.1 -21.1 0.4 10.6 47 199 A T - 0 0 56 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.532 64.2-112.7 -73.1 143.7 -18.3 1.8 12.7 48 200 A P B -A 42 0A 22 0, 0.0 -6,-0.2 0, 0.0 34,-0.1 -0.410 8.0-133.1 -73.3 158.5 -16.6 4.8 11.1 49 201 A S - 0 0 0 -8,-2.5 33,-2.9 32,-0.1 35,-0.2 0.700 27.2-143.8 -73.4 -22.4 -13.0 4.6 9.9 50 202 A Y + 0 0 67 -9,-0.4 2,-2.0 1,-0.2 3,-0.2 0.502 55.3 140.0 64.2 9.4 -12.5 8.0 11.7 51 203 A N > + 0 0 2 -10,-0.4 3,-1.5 1,-0.2 -10,-0.4 -0.500 17.7 163.5 -85.3 72.3 -10.2 8.6 8.7 52 204 A L T 3 S+ 0 0 0 -2,-2.0 -1,-0.2 1,-0.3 -15,-0.1 0.743 71.5 53.5 -64.8 -25.5 -11.2 12.3 8.3 53 205 A F T 3 S- 0 0 2 -3,-0.2 -1,-0.3 -20,-0.1 -2,-0.1 0.373 105.4-124.9 -95.0 5.5 -8.2 13.0 6.1 54 206 A N < - 0 0 42 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.834 42.1-177.7 58.0 37.6 -8.9 10.2 3.6 55 207 A I - 0 0 18 25,-0.1 25,-2.4 1,-0.1 -1,-0.2 -0.543 21.7-127.2 -76.3 123.9 -5.4 8.8 4.1 56 208 A K B -B 79 0B 132 -2,-0.4 2,-0.8 23,-0.2 23,-0.3 -0.341 13.8-125.4 -67.1 145.6 -4.6 5.7 2.0 57 209 A A + 0 0 9 21,-2.8 21,-0.1 9,-0.2 -1,-0.1 -0.853 42.2 171.3 -92.2 103.8 -3.3 2.5 3.6 58 210 A G > - 0 0 42 -2,-0.8 3,-1.6 1,-0.0 21,-0.0 -0.154 51.9 -70.0 -98.2-162.3 -0.0 1.7 1.8 59 211 A S T 3 S+ 0 0 131 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.739 128.9 56.3 -64.5 -26.4 2.8 -0.9 2.4 60 212 A N T 3 S+ 0 0 127 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.326 89.6 91.9 -89.4 5.9 4.0 0.9 5.5 61 213 A W < + 0 0 42 -3,-1.6 -4,-0.0 1,-0.1 4,-0.0 -0.919 37.8 163.3-104.3 120.0 0.6 0.7 7.2 62 214 A T + 0 0 143 -2,-0.6 -1,-0.1 2,-0.0 3,-0.1 0.238 49.4 98.2-116.1 7.7 -0.0 -2.4 9.3 63 215 A G S S- 0 0 36 1,-0.2 19,-0.1 0, 0.0 2,-0.1 0.033 90.0 -47.0 -78.0-167.5 -3.1 -1.0 11.2 64 216 A K E -C 81 0B 99 17,-0.5 17,-2.0 -15,-0.1 2,-0.4 -0.384 59.4-152.4 -63.9 142.7 -6.8 -1.6 10.5 65 217 A V E -C 80 0B 46 15,-0.2 2,-0.4 -3,-0.1 15,-0.2 -0.958 11.8-168.2-123.7 137.2 -7.7 -1.3 6.8 66 218 A V E -C 79 0B 8 13,-2.8 13,-3.0 -2,-0.4 2,-0.4 -0.992 15.2-142.4-123.6 130.8 -11.0 -0.3 5.2 67 219 A E E +C 78 0B 114 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.746 25.6 170.5 -89.9 139.4 -11.8 -0.7 1.5 68 220 A A E -C 77 0B 24 9,-2.4 9,-3.0 -2,-0.4 2,-0.3 -0.992 32.9-111.7-147.9 145.0 -13.8 2.0 -0.2 69 221 A R E -C 76 0B 196 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.566 33.1-171.9 -80.1 138.2 -14.6 2.7 -3.8 70 222 A T E C 75 0B 48 5,-2.8 5,-1.2 -2,-0.3 -1,-0.0 -0.655 360.0 360.0-116.7 177.8 -13.2 5.7 -5.6 71 223 A V 0 0 165 -2,-0.2 3,-0.3 3,-0.2 5,-0.0 -0.723 360.0 360.0 -87.7 360.0 -13.8 7.4 -8.9 72 ! 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 73 231 A K 0 0 213 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.6 -14.6 4.3 -13.6 74 232 A V - 0 0 68 -3,-0.3 2,-0.3 -5,-0.0 -3,-0.2 -0.973 360.0-178.1-123.5 121.6 -14.6 2.6 -10.1 75 233 A R E - C 0 70B 139 -5,-1.2 -5,-2.8 -2,-0.5 2,-0.6 -0.851 27.5-126.8-107.5 150.0 -11.5 1.5 -8.2 76 234 A V E - C 0 69B 82 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.897 32.8-165.6 -91.3 123.8 -11.3 -0.2 -4.9 77 235 A E E - C 0 68B 28 -9,-3.0 -9,-2.4 -2,-0.6 2,-0.6 -0.859 16.8-130.2-111.9 147.9 -9.0 1.8 -2.7 78 236 A R E - C 0 67B 117 -2,-0.3 -21,-2.8 -11,-0.2 2,-0.3 -0.873 29.7-174.2-101.3 120.5 -7.4 0.8 0.6 79 237 A F E -BC 56 66B 16 -13,-3.0 -13,-2.8 -2,-0.6 -23,-0.2 -0.841 27.1-107.5-114.8 150.1 -7.8 3.3 3.4 80 238 A R E - C 0 65B 21 -25,-2.4 2,-0.3 -2,-0.3 -15,-0.2 -0.403 32.6-157.5 -66.7 148.0 -6.4 3.5 7.0 81 239 A A E - C 0 64B 3 -17,-2.0 -17,-0.5 -31,-0.1 2,-0.2 -0.986 8.8-169.8-130.6 148.4 -8.9 3.0 9.8 82 240 A Y - 0 0 5 -33,-2.9 -31,-0.1 -2,-0.3 3,-0.1 -0.716 33.6-121.2-130.1 173.1 -8.7 4.1 13.4 83 241 A D S S- 0 0 120 -2,-0.2 2,-0.3 1,-0.2 -33,-0.1 0.533 92.0 -5.2 -92.4 -10.0 -10.3 3.7 16.8 84 242 A S S > S- 0 0 36 -35,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.976 71.3 -99.2-169.1 164.2 -11.1 7.4 17.2 85 243 A Y H > S+ 0 0 56 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.882 122.0 60.3 -59.5 -40.2 -10.7 10.9 15.7 86 244 A E H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 106.5 43.9 -50.4 -52.0 -8.0 11.3 18.3 87 245 A Q H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 112.6 52.9 -63.5 -42.5 -6.0 8.4 16.8 88 246 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.911 111.0 46.2 -59.4 -45.1 -6.7 9.7 13.2 89 247 A F H X S+ 0 0 3 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.875 110.9 53.0 -65.2 -38.3 -5.3 13.1 14.1 90 248 A Q H X S+ 0 0 105 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.910 110.3 47.4 -62.4 -43.5 -2.3 11.6 15.8 91 249 A D H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.895 112.7 49.3 -66.0 -39.7 -1.5 9.6 12.7 92 250 A Y H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.916 110.0 51.7 -61.4 -45.9 -2.0 12.7 10.5 93 251 A A H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.877 109.7 49.9 -60.6 -40.1 0.4 14.6 12.9 94 252 A D H X S+ 0 0 92 -4,-2.1 4,-1.8 3,-0.2 5,-0.4 0.947 114.5 44.4 -62.2 -50.1 3.0 11.9 12.6 95 253 A L H X S+ 0 0 38 -4,-2.3 4,-1.9 1,-0.2 7,-0.2 0.949 121.7 34.8 -59.7 -55.3 2.8 11.9 8.7 96 254 A V H < S+ 0 0 6 -4,-2.9 9,-0.2 1,-0.2 10,-0.2 0.841 120.6 48.8 -75.4 -32.8 2.8 15.7 8.1 97 255 A G H < S+ 0 0 43 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.793 122.7 28.7 -77.9 -31.4 5.1 16.6 11.1 98 256 A N H < S+ 0 0 120 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.777 93.3 94.8-103.2 -32.2 7.8 14.0 10.3 99 257 A S >< - 0 0 31 -4,-1.9 3,-1.6 -5,-0.4 4,-0.1 -0.466 65.8-143.3 -70.0 122.7 7.8 13.4 6.5 100 258 A P G > S+ 0 0 115 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.804 98.1 66.9 -53.9 -30.5 10.4 15.6 4.7 101 259 A R G 3 S+ 0 0 172 1,-0.3 3,-0.3 2,-0.1 21,-0.1 0.812 105.0 44.5 -60.8 -28.1 8.0 16.0 1.7 102 260 A Y G X S+ 0 0 17 -3,-1.6 3,-2.2 -7,-0.2 4,-0.5 0.192 77.6 116.1 -97.1 14.2 5.7 18.0 4.1 103 261 A A T < + 0 0 72 -3,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.737 68.5 62.4 -59.1 -24.7 8.5 20.1 5.6 104 262 A K T 3 S+ 0 0 121 -3,-0.3 -1,-0.3 13,-0.2 13,-0.1 0.589 86.8 74.9 -78.7 -10.8 7.0 23.3 4.2 105 263 A V S X S+ 0 0 2 -3,-2.2 3,-1.9 12,-0.2 -1,-0.2 0.936 72.2 93.7 -65.5 -47.7 3.8 22.9 6.2 106 264 A A T 3 S+ 0 0 60 -4,-0.5 -86,-0.2 -3,-0.3 -85,-0.2 -0.178 94.0 12.0 -55.3 133.6 5.3 24.0 9.6 107 265 A G T 3 S+ 0 0 53 -87,-2.1 2,-0.3 -88,-0.4 -1,-0.2 0.423 84.9 140.6 84.8 -1.7 4.9 27.6 10.5 108 266 A K < + 0 0 59 -3,-1.9 -1,-0.3 1,-0.1 3,-0.0 -0.601 21.5 173.6 -74.1 133.1 2.5 28.5 7.7 109 267 A T + 0 0 119 -2,-0.3 2,-0.4 -88,-0.1 -1,-0.1 0.249 55.8 82.4-124.6 8.3 -0.2 31.0 9.0 110 268 A D S > S- 0 0 76 1,-0.1 4,-2.5 -88,-0.0 5,-0.2 -0.965 74.7-137.4-113.9 132.4 -1.9 31.7 5.6 111 269 A G H > S+ 0 0 1 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.896 103.0 45.5 -54.3 -47.6 -4.5 29.2 4.4 112 270 A H H > S+ 0 0 49 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.909 112.8 50.2 -67.2 -42.2 -3.4 29.1 0.8 113 271 A A H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 112.2 49.4 -58.8 -44.1 0.3 28.8 1.7 114 272 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.935 112.1 46.9 -60.2 -49.4 -0.6 25.9 4.0 115 273 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 110.3 52.6 -63.4 -42.4 -2.6 24.2 1.3 116 274 A R H X S+ 0 0 128 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.885 107.2 53.5 -57.8 -40.1 0.2 24.7 -1.3 117 275 A A H X S+ 0 0 4 -4,-2.1 4,-1.5 2,-0.2 -13,-0.2 0.878 109.8 47.2 -63.8 -39.3 2.6 23.1 1.2 118 276 A L H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.4 0.915 111.7 50.8 -65.7 -44.5 0.3 20.0 1.5 119 277 A Q H ><5S+ 0 0 46 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.895 108.0 52.3 -61.7 -41.4 -0.0 19.8 -2.3 120 278 A E H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 106.4 54.6 -60.5 -38.1 3.8 20.0 -2.7 121 279 A G T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.577 122.7-109.8 -69.7 -10.6 4.1 17.1 -0.2 122 280 A G T < 5S+ 0 0 45 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.2 0.709 73.2 140.3 85.9 24.9 1.7 15.1 -2.5 123 281 A Y S - 0 0 61 1,-0.2 3,-2.0 2,-0.1 4,-0.3 -0.293 59.5-139.7 -49.1 123.4 -5.9 18.5 -7.9 127 285 A P T 3 S+ 0 0 112 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.788 102.8 51.0 -61.3 -25.1 -4.6 21.8 -9.3 128 286 A S T 3> S+ 0 0 52 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.376 79.6 102.7 -91.3 4.0 -7.4 23.6 -7.5 129 287 A Y H <> S+ 0 0 12 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.902 80.6 48.3 -54.4 -47.4 -6.8 22.0 -4.1 130 288 A A H > S+ 0 0 6 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.905 113.4 47.6 -62.0 -42.7 -5.1 25.0 -2.6 131 289 A D H > S+ 0 0 100 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.916 114.1 46.9 -63.0 -45.6 -7.9 27.4 -3.8 132 290 A K H X S+ 0 0 104 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.912 116.2 43.4 -66.0 -43.5 -10.6 25.1 -2.5 133 291 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 3,-0.2 0.911 112.1 52.7 -69.6 -42.6 -9.0 24.5 0.9 134 292 A A H X S+ 0 0 9 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.892 104.9 57.6 -57.8 -39.7 -8.1 28.2 1.3 135 293 A R H X S+ 0 0 210 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.886 110.0 43.0 -59.3 -40.0 -11.8 29.1 0.6 136 294 A V H >< S+ 0 0 29 -4,-1.3 3,-0.7 -3,-0.2 6,-0.4 0.930 114.0 51.1 -70.1 -45.0 -12.9 26.9 3.5 137 295 A I H 3< S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 119.9 34.7 -57.5 -43.7 -10.1 28.2 5.8 138 296 A N H 3< S+ 0 0 88 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.403 98.7 116.0 -92.8 -0.6 -11.0 31.8 5.1 139 297 A G S S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.789 105.4 64.3 -68.4 -32.0 -17.6 32.7 6.9 141 299 A A H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.955 109.4 37.8 -58.3 -53.2 -19.1 29.2 7.3 142 300 A L H > S+ 0 0 2 -6,-0.4 4,-2.6 2,-0.2 5,-0.2 0.925 114.4 55.9 -63.2 -47.0 -16.0 28.0 9.3 143 301 A R H X S+ 0 0 113 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.922 108.8 46.8 -51.9 -49.0 -15.6 31.3 11.1 144 302 A Q H X S+ 0 0 130 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.883 113.1 49.1 -61.8 -42.0 -19.2 31.2 12.5 145 303 A R H X S+ 0 0 71 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.868 109.3 51.6 -69.0 -36.3 -18.9 27.6 13.6 146 304 A L H X S+ 0 0 39 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.923 111.6 47.6 -64.7 -43.5 -15.6 28.2 15.3 147 305 A M H >< S+ 0 0 135 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.935 111.6 50.1 -60.1 -48.2 -17.2 31.2 17.2 148 306 A A H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.825 107.6 55.9 -59.2 -31.7 -20.2 29.0 18.1 149 307 A S H 3< S+ 0 0 38 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.781 87.5 98.7 -72.8 -29.3 -17.8 26.3 19.4 150 308 A A << - 0 0 55 -4,-1.2 -144,-0.0 -3,-0.7 -3,-0.0 -0.279 69.0-141.2 -67.9 143.8 -16.0 28.6 21.9 151 309 A A S S+ 0 0 118 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.727 85.8 42.0 -72.1 -23.4 -16.9 28.6 25.6 152 310 A S - 0 0 101 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.822 59.9-178.7-124.7 162.2 -16.4 32.4 25.7 153 311 A A - 0 0 98 -2,-0.3 2,-0.4 0, 0.0 -6,-0.0 -0.981 22.9-123.0-155.0 153.7 -17.2 35.5 23.7 154 312 A R - 0 0 249 -2,-0.3 2,-0.0 1,-0.0 -2,-0.0 -0.825 24.3-120.0-104.8 139.0 -16.6 39.2 23.9 155 313 A G - 0 0 67 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.306 25.1-117.4 -66.1 154.5 -19.2 42.0 23.9 156 314 A L 0 0 169 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 0.769 360.0 360.0 -67.7 -25.5 -19.1 44.6 21.2 157 315 A E 0 0 211 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.332 360.0 360.0-118.5 360.0 -18.5 47.3 23.9