==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-10 3NE8 . COMPND 2 MOLECULE: N-ACETYLMURAMOYL-L-ALANINE AMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR K.TAN,E.RAKOWSKI,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 178 A A 0 0 105 0, 0.0 2,-0.5 0, 0.0 220,-0.1 0.000 360.0 360.0 360.0 147.7 48.0 22.6 43.4 2 179 A S - 0 0 58 45,-0.1 2,-0.3 1,-0.0 45,-0.2 -0.655 360.0-135.6 -79.4 121.6 45.3 21.7 45.9 3 180 A F E -a 47 0A 3 43,-2.9 45,-3.0 -2,-0.5 2,-0.6 -0.606 18.5-136.8 -78.2 135.5 41.9 21.6 44.2 4 181 A R E +a 48 0A 72 -2,-0.3 70,-3.0 43,-0.2 71,-1.0 -0.845 24.5 179.0-107.9 120.9 39.2 23.3 46.2 5 182 A V E -ab 49 75A 0 43,-2.9 45,-2.2 -2,-0.6 2,-0.5 -0.963 13.7-161.2-124.6 133.0 35.8 21.7 46.6 6 183 A V E -ab 50 76A 3 69,-2.4 71,-2.3 -2,-0.4 2,-0.4 -0.963 9.2-159.1-113.1 127.5 32.7 22.9 48.6 7 184 A L E -ab 51 77A 0 43,-2.6 45,-2.3 -2,-0.5 46,-0.3 -0.907 1.4-158.0-105.0 134.0 30.0 20.4 49.4 8 185 A D E - b 0 78A 0 69,-3.1 71,-3.0 -2,-0.4 2,-0.7 -0.894 6.4-151.9-116.0 101.3 26.5 21.6 50.3 9 186 A P E - b 0 79A 0 0, 0.0 71,-0.1 0, 0.0 22,-0.1 -0.615 33.4-118.5 -71.2 112.8 24.4 19.1 52.3 10 187 A G - 0 0 0 69,-2.6 20,-0.2 -2,-0.7 21,-0.2 -0.132 70.0 -5.6 -54.5 146.9 20.9 20.1 51.2 11 188 A H + 0 0 4 48,-0.2 46,-0.2 1,-0.1 5,-0.2 -0.223 68.3 174.1 67.4-159.2 18.4 21.4 53.7 12 189 A G B > +F 15 0B 0 3,-2.9 3,-2.0 1,-0.2 47,-0.2 -0.344 42.9 14.5 130.2 147.5 19.1 21.5 57.5 13 190 A G T 3 S+ 0 0 16 1,-0.3 -1,-0.2 44,-0.2 44,-0.1 -0.357 131.1 5.6 63.5-129.4 17.7 22.8 60.7 14 191 A I T 3 S+ 0 0 113 1,-0.1 2,-1.0 -2,-0.1 -1,-0.3 0.738 123.2 76.1 -58.1 -24.7 14.0 23.7 60.5 15 192 A D B < +F 12 0B 8 -3,-2.0 -3,-2.9 1,-0.2 -1,-0.1 -0.776 54.9 173.1 -93.6 99.6 14.1 22.3 56.9 16 193 A G - 0 0 19 -2,-1.0 11,-2.5 1,-0.2 12,-0.3 0.663 28.3-153.4 -76.2 -15.2 14.1 18.5 57.2 17 194 A G - 0 0 30 9,-0.2 -1,-0.2 8,-0.1 65,-0.1 -0.359 52.7 -3.6 67.6-156.9 13.7 18.0 53.4 18 195 A A - 0 0 10 63,-0.2 8,-3.1 7,-0.1 2,-0.4 -0.227 67.9-143.2 -65.4 154.4 12.0 14.9 52.2 19 196 A R B -G 25 0C 162 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.985 8.8-141.9-124.3 125.8 11.0 12.1 54.6 20 197 A G > - 0 0 2 4,-3.0 3,-1.7 -2,-0.4 168,-0.1 -0.288 31.6-103.2 -76.5 168.7 11.2 8.4 53.9 21 198 A V T 3 S+ 0 0 94 166,-0.3 -1,-0.1 1,-0.3 167,-0.0 0.771 123.6 55.5 -64.1 -26.1 8.7 5.8 54.9 22 199 A T T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.487 123.8-104.6 -82.7 -4.4 11.1 4.8 57.7 23 200 A G S < S+ 0 0 25 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.0 0.276 70.6 149.2 97.4 -9.8 11.2 8.3 59.0 24 201 A I - 0 0 29 -5,-0.1 -4,-3.0 1,-0.1 2,-0.4 -0.324 38.4-138.2 -60.7 138.5 14.6 9.0 57.7 25 202 A L B >> -G 19 0C 48 -6,-0.2 4,-2.1 1,-0.1 3,-1.2 -0.835 11.3-134.7-106.7 137.8 15.1 12.7 56.7 26 203 A E H 3> S+ 0 0 0 -8,-3.1 4,-3.0 -2,-0.4 5,-0.3 0.884 105.4 60.5 -50.1 -44.1 16.8 14.2 53.7 27 204 A K H 3> S+ 0 0 25 -11,-2.5 4,-1.1 -9,-0.3 -1,-0.3 0.812 108.8 43.5 -60.6 -29.6 18.7 16.7 55.8 28 205 A D H <> S+ 0 0 80 -3,-1.2 4,-2.2 -12,-0.3 -1,-0.2 0.869 113.3 50.1 -81.5 -38.5 20.3 13.9 57.7 29 206 A V H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 110.6 49.9 -63.1 -43.8 21.1 11.8 54.6 30 207 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.898 111.5 47.7 -67.9 -38.6 22.7 14.7 52.8 31 208 A L H X S+ 0 0 13 -4,-1.1 4,-2.4 -5,-0.3 -1,-0.2 0.925 113.5 48.5 -64.5 -43.9 24.9 15.6 55.7 32 209 A A H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.899 113.3 47.4 -63.2 -42.1 26.0 12.0 56.2 33 210 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.925 110.5 51.4 -64.9 -44.5 26.7 11.7 52.5 34 211 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.903 109.8 50.5 -58.3 -42.6 28.7 15.0 52.4 35 212 A R H X S+ 0 0 97 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.886 110.7 49.3 -63.6 -39.1 30.8 13.7 55.3 36 213 A A H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.905 111.7 48.3 -66.1 -41.6 31.4 10.5 53.5 37 214 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.911 110.1 52.4 -66.3 -41.1 32.5 12.3 50.3 38 215 A R H X S+ 0 0 63 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.944 109.8 49.8 -55.2 -47.2 34.7 14.6 52.4 39 216 A D H X S+ 0 0 78 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.916 110.9 48.4 -60.2 -45.4 36.3 11.5 53.9 40 217 A E H >X S+ 0 0 30 -4,-2.4 4,-0.8 1,-0.2 3,-0.5 0.911 112.8 48.3 -61.8 -42.8 36.9 9.9 50.4 41 218 A L H >< S+ 0 0 2 -4,-2.6 3,-0.6 1,-0.2 6,-0.3 0.869 108.5 54.0 -64.6 -36.2 38.4 13.1 49.1 42 219 A Q H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.640 100.4 60.8 -77.3 -13.5 40.7 13.5 52.1 43 220 A K H << S+ 0 0 123 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.750 102.5 66.7 -76.2 -27.0 42.0 9.9 51.5 44 221 A G S << S- 0 0 40 -4,-0.8 2,-0.3 -3,-0.6 3,-0.2 -0.116 92.7 -99.3 -83.0-176.3 43.2 11.2 48.1 45 222 A S S S+ 0 0 65 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 -0.776 88.4 11.4-104.9 152.4 45.9 13.8 47.4 46 223 A H S S+ 0 0 112 -2,-0.3 -43,-2.9 1,-0.1 2,-0.4 0.715 85.9 120.0 62.9 28.7 45.6 17.4 46.6 47 224 A T E -a 3 0A 15 -6,-0.3 2,-0.5 -3,-0.2 -43,-0.2 -0.986 41.5-165.0-122.9 126.0 41.9 18.1 47.4 48 225 A I E -a 4 0A 66 -45,-3.0 -43,-2.9 -2,-0.4 2,-0.4 -0.926 16.3-164.5-106.9 128.3 40.9 20.6 50.0 49 226 A V E +a 5 0A 17 -2,-0.5 2,-0.3 -45,-0.2 -43,-0.2 -0.900 15.8 175.8-120.9 139.4 37.3 20.3 51.1 50 227 A A E -a 6 0A 27 -45,-2.2 -43,-2.6 -2,-0.4 2,-0.4 -0.976 18.9-141.8-133.7 152.2 34.8 22.5 53.0 51 228 A L E -a 7 0A 30 -2,-0.3 -43,-0.2 -45,-0.2 3,-0.2 -0.879 16.1-135.6-107.0 144.7 31.1 22.0 53.8 52 229 A T S S+ 0 0 8 -45,-2.3 2,-0.3 -2,-0.4 -44,-0.1 0.857 99.0 9.1 -62.8 -37.9 28.5 24.7 53.7 53 230 A R - 0 0 5 -46,-0.3 -1,-0.3 -3,-0.0 3,-0.0 -0.986 54.6-177.0-138.7 141.7 27.3 23.3 57.0 54 231 A D S S+ 0 0 73 -2,-0.3 2,-0.3 -3,-0.2 -2,-0.0 -0.223 76.4 42.2-125.6 39.9 28.8 20.6 59.2 55 232 A S S S- 0 0 55 2,-0.1 2,-1.5 0, 0.0 -42,-0.0 -0.936 104.9 -72.4-167.2 176.2 25.9 20.5 61.7 56 233 A D S S+ 0 0 84 -2,-0.3 2,-0.3 -44,-0.1 -44,-0.1 -0.632 77.5 129.8 -88.5 82.9 22.1 20.7 61.7 57 234 A I - 0 0 73 -2,-1.5 2,-0.4 -46,-0.2 -44,-0.2 -0.952 56.9-114.7-133.1 155.7 21.5 24.3 60.8 58 235 A F - 0 0 43 -2,-0.3 2,-0.4 -46,-0.1 -45,-0.1 -0.731 32.3-177.6 -88.2 134.6 19.3 26.0 58.2 59 236 A L - 0 0 21 -2,-0.4 -48,-0.2 -47,-0.2 2,-0.0 -0.997 25.7-124.5-133.6 131.5 21.0 28.0 55.4 60 237 A R >> - 0 0 27 -2,-0.4 4,-1.5 1,-0.1 3,-0.7 -0.363 31.4-113.8 -62.3 151.8 19.4 30.0 52.7 61 238 A L H 3> S+ 0 0 11 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.895 116.8 55.5 -58.6 -40.5 20.4 29.0 49.2 62 239 A S H 3> S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.816 104.2 54.7 -62.9 -31.2 22.2 32.3 48.6 63 240 A E H <> S+ 0 0 76 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.859 105.7 52.1 -69.0 -36.7 24.3 31.7 51.7 64 241 A R H X S+ 0 0 3 -4,-1.5 4,-1.7 -3,-0.2 -2,-0.2 0.933 111.4 46.7 -64.3 -44.3 25.4 28.3 50.4 65 242 A V H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 110.4 53.2 -62.3 -44.4 26.5 29.9 47.1 66 243 A K H X S+ 0 0 98 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.887 105.5 54.2 -59.6 -39.9 28.3 32.7 49.0 67 244 A K H X S+ 0 0 82 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.902 106.7 51.4 -63.3 -39.1 30.2 30.1 51.1 68 245 A A H <>S+ 0 0 1 -4,-1.7 5,-2.3 1,-0.2 -1,-0.2 0.922 113.6 44.8 -62.0 -44.2 31.5 28.5 47.9 69 246 A Q H ><5S+ 0 0 53 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.899 109.9 53.5 -67.5 -42.2 32.7 31.8 46.6 70 247 A E H 3<5S+ 0 0 129 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.0 52.2 -63.1 -28.5 34.3 32.9 49.8 71 248 A F T 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.469 110.1-124.1 -81.9 -4.7 36.2 29.6 49.8 72 249 A D T < 5 - 0 0 119 -3,-1.6 -3,-0.2 -4,-0.2 -68,-0.2 0.929 42.9-164.5 55.5 44.3 37.5 30.3 46.3 73 250 A A < - 0 0 8 -5,-2.3 -68,-0.2 1,-0.1 -1,-0.1 -0.304 29.1-160.1 -61.8 142.1 36.0 26.9 45.3 74 251 A D S S+ 0 0 44 -70,-3.0 2,-0.3 1,-0.3 -69,-0.2 0.521 84.2 15.9 -89.4 -13.3 37.0 25.3 42.1 75 252 A L E -b 5 0A 0 -71,-1.0 -69,-2.4 102,-0.1 2,-0.4 -0.953 63.9-159.3-162.3 141.1 33.8 23.1 42.3 76 253 A F E -bc 6 179A 1 102,-2.2 104,-2.0 -2,-0.3 2,-0.5 -0.996 8.8-172.5-129.1 127.6 30.5 23.2 44.2 77 254 A I E -bc 7 180A 0 -71,-2.3 -69,-3.1 -2,-0.4 2,-0.5 -0.975 8.4-159.1-126.6 116.6 28.3 20.1 44.7 78 255 A S E -bc 8 181A 0 102,-2.7 104,-3.0 -2,-0.5 2,-0.5 -0.855 15.7-148.7 -96.5 129.1 24.9 20.4 46.3 79 256 A I E +bc 9 182A 1 -71,-3.0 -69,-2.6 -2,-0.5 2,-0.3 -0.863 24.0 165.5-109.9 126.0 23.7 17.0 47.7 80 257 A H E - c 0 183A 8 102,-2.7 104,-2.6 -2,-0.5 105,-0.5 -0.870 33.2-170.7-137.1 161.5 20.1 16.0 47.8 81 258 A A + 0 0 0 -2,-0.3 106,-0.2 102,-0.2 -63,-0.2 -0.506 39.3 173.1-150.1 73.0 17.6 13.1 48.2 82 259 A D - 0 0 2 103,-0.2 106,-1.0 104,-0.1 105,-0.9 -0.155 37.1-112.0 -88.1 170.2 14.3 14.6 47.3 83 260 A T - 0 0 74 104,-0.2 2,-0.3 103,-0.2 -1,-0.1 -0.881 35.7-163.5 -93.9 134.0 10.8 13.6 46.7 84 261 A I - 0 0 4 -2,-0.5 5,-0.1 2,-0.2 21,-0.1 -0.785 31.6-106.5-116.4 166.0 9.7 13.8 43.1 85 262 A D S S+ 0 0 108 -2,-0.3 2,-0.6 20,-0.1 -1,-0.1 0.824 107.1 57.4 -64.2 -34.7 6.2 13.8 41.6 86 263 A V > - 0 0 64 1,-0.1 3,-1.1 2,-0.0 -2,-0.2 -0.876 68.4-162.0-101.5 117.6 6.4 10.3 40.2 87 264 A H T 3 S+ 0 0 121 -2,-0.6 103,-0.2 1,-0.2 -1,-0.1 0.641 85.4 65.8 -77.6 -12.2 7.2 7.8 42.8 88 265 A S T 3 S+ 0 0 97 101,-0.1 2,-0.3 102,-0.1 -1,-0.2 0.631 80.6 99.7 -81.6 -14.5 8.4 5.1 40.3 89 266 A L < + 0 0 35 -3,-1.1 2,-0.3 -5,-0.1 -5,-0.2 -0.554 50.3 153.7 -74.6 132.1 11.3 7.3 39.4 90 267 A R + 0 0 81 -2,-0.3 71,-0.2 95,-0.1 2,-0.1 -0.981 11.6 76.2-154.7 162.4 14.6 6.3 41.0 91 268 A G S S- 0 0 2 -2,-0.3 68,-0.3 69,-0.1 94,-0.1 -0.144 76.7 -53.2 114.7 154.2 18.3 6.4 40.6 92 269 A A E -d 159 0A 2 66,-2.5 68,-2.0 92,-0.1 2,-0.3 -0.299 56.0-176.0 -59.2 142.8 21.2 8.9 40.9 93 270 A T E - 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0 0 71 -3,-1.8 4,-2.5 -4,-0.2 3,-0.2 -0.810 59.2-164.2 -97.6 108.6 22.9 1.9 53.7 199 381 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.799 89.2 55.5 -67.8 -25.7 26.2 3.6 54.7 200 382 A Q H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.901 109.7 46.0 -70.9 -39.2 28.2 1.1 52.7 201 383 A W H > S+ 0 0 31 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.938 112.4 51.2 -65.6 -44.1 26.3 1.9 49.5 202 384 A R H X S+ 0 0 38 -4,-2.5 4,-2.7 -7,-0.3 -2,-0.2 0.910 109.0 51.4 -58.7 -42.0 26.6 5.6 50.3 203 385 A K H X S+ 0 0 84 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.900 107.7 52.4 -61.4 -41.9 30.4 5.2 50.7 204 386 A Q H X S+ 0 0 101 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.907 111.7 45.8 -63.3 -40.0 30.6 3.4 47.3 205 387 A X H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 111.8 51.4 -68.3 -42.5 28.8 6.2 45.6 206 388 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.891 106.9 54.6 -59.4 -39.6 30.9 8.8 47.4 207 389 A A H X S+ 0 0 36 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.890 108.1 49.1 -61.8 -39.5 34.1 7.0 46.3 208 390 A S H X S+ 0 0 6 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 111.6 48.2 -66.3 -45.4 32.9 7.2 42.6 209 391 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.917 108.9 54.4 -61.6 -39.0 32.2 10.9 42.9 210 392 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.904 107.6 50.3 -61.9 -40.0 35.6 11.4 44.6 211 393 A Y H X S+ 0 0 132 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.922 109.4 51.0 -61.9 -44.8 37.2 9.7 41.6 212 394 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.889 108.9 52.0 -59.3 -40.6 35.3 12.0 39.2 213 395 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.915 107.4 51.6 -62.7 -43.5 36.5 15.0 41.2 214 396 A R H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.910 111.1 47.9 -59.1 -42.4 40.1 13.9 40.9 215 397 A Q H X S+ 0 0 54 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.914 112.0 49.6 -65.3 -41.0 39.7 13.5 37.1 216 398 A F H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.905 109.7 51.6 -64.0 -40.8 38.1 17.0 36.9 217 399 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.915 108.5 50.7 -61.4 -44.9 40.9 18.5 39.0 218 400 A E H < S+ 0 0 117 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.908 113.2 46.5 -62.6 -39.1 43.5 17.0 36.7 219 401 A Y H >< S+ 0 0 99 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.952 111.0 50.9 -63.9 -51.8 41.7 18.4 33.7 220 402 A R H >< S+ 0 0 54 -4,-3.0 3,-1.2 1,-0.3 -2,-0.2 0.856 105.8 56.6 -56.5 -37.8 41.2 21.9 35.3 221 403 A Q T 3< S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.633 97.3 62.7 -76.1 -10.4 44.9 22.1 36.1 222 404 A K T < S+ 0 0 181 -3,-1.6 -1,-0.3 -4,-0.5 2,-0.2 0.643 84.3 100.6 -80.3 -16.5 45.9 21.6 32.5 223 405 A I S < S- 0 0 70 -3,-1.2 -3,-0.0 -4,-0.5 -4,-0.0 -0.475 77.0-110.1 -83.4 141.4 44.2 24.8 31.4 224 406 A X - 0 0 149 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.150 11.3-145.0 -67.5 156.9 46.2 28.0 30.8 225 407 A Q + 0 0 145 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.877 25.6 169.6-121.3 96.7 46.1 31.1 32.9 226 408 A P 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.441 360.0 360.0 -89.2 -4.2 46.5 34.0 30.5 227 409 A L 0 0 208 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.664 360.0 360.0 -82.0 360.0 45.7 37.0 32.7