REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mss_1_C DATA FIRST_RESID 225 DATA SEQUENCE MDPSXXXYDK WEMERTDITM KHKLGGGQYG EVYEGVWKKY SLTVAVKTLX DATA SEQUENCE XXXXXVEEFL KEAAVMKEIK HPNLVQLLGV CTREPPFYII TEFMTYGNLL DATA SEQUENCE DYLRECNRQE VSAVVLLYMA TQISSAMEYL EKKNFIHRDL AARNCLVGEN DATA SEQUENCE HLVKVADFGL SRLMXGDTYT AHAGAKFPIK WTAPESLAYN KFSIKSDVWA DATA SEQUENCE FGVLLWEIAT YGMSPYPGID LSQVYELLEK DYRMERPEGC PEKVYELMRA DATA SEQUENCE CWQWNPSDRP SFAEIHQAFE TMFQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 225 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 225 M C 0.000 176.461 176.300 0.268 0.000 1.140 225 M CA 0.000 55.372 55.300 0.120 0.000 0.988 225 M CB 0.000 32.639 32.600 0.065 0.000 1.302 226 D N 2.327 122.864 120.400 0.229 0.000 2.256 226 D HA 0.410 5.054 4.640 0.005 0.000 0.240 226 D C -1.836 174.503 176.300 0.064 0.000 1.062 226 D CA -1.055 53.024 54.000 0.133 0.000 0.832 226 D CB 1.864 42.702 40.800 0.062 0.000 1.135 226 D HN 0.393 8.763 8.370 -0.000 0.000 0.484 227 P HA -0.088 4.332 4.420 -0.000 0.000 0.225 227 P C 0.645 177.834 177.300 -0.184 0.000 1.156 227 P CA 0.452 63.264 63.100 -0.479 0.000 0.787 227 P CB 0.241 31.595 31.700 -0.577 0.000 0.802 233 D N 5.711 125.715 120.400 -0.661 0.000 2.542 233 D HA 0.232 4.875 4.640 0.005 0.000 0.252 233 D C 0.291 176.147 176.300 -0.741 0.000 1.222 233 D CA -0.501 53.228 54.000 -0.451 0.000 0.895 233 D CB 1.511 42.220 40.800 -0.152 0.000 1.207 233 D HN 0.749 9.119 8.370 -0.000 0.000 0.558 234 K N 2.014 122.025 120.400 -0.648 0.000 2.442 234 K HA -0.101 4.222 4.320 0.005 0.000 0.198 234 K C 0.840 177.194 176.600 -0.409 0.000 1.044 234 K CA 0.700 56.677 56.287 -0.517 0.000 0.948 234 K CB -0.024 32.305 32.500 -0.286 0.000 0.762 234 K HN 0.383 8.633 8.250 -0.000 0.000 0.472 235 W N 1.995 123.200 121.300 -0.159 0.000 2.863 235 W HA 0.141 4.804 4.660 0.005 0.000 0.258 235 W C 0.294 176.752 176.519 -0.101 0.000 1.298 235 W CA -0.532 56.762 57.345 -0.086 0.000 1.451 235 W CB 0.448 29.863 29.460 -0.076 0.000 1.107 235 W HN -0.086 8.094 8.180 -0.000 0.000 0.641 236 E N 1.824 122.032 120.200 0.014 0.000 2.344 236 E HA 0.136 4.489 4.350 0.005 0.000 0.270 236 E C 0.231 176.814 176.600 -0.027 0.000 1.021 236 E CA 0.399 56.780 56.400 -0.031 0.000 0.887 236 E CB 0.445 30.086 29.700 -0.099 0.000 0.997 236 E HN 0.214 8.574 8.360 -0.000 0.000 0.429 237 M N 0.057 119.640 119.600 -0.028 0.000 2.745 237 M HA 0.493 4.977 4.480 0.005 0.000 0.290 237 M C -0.135 176.140 176.300 -0.042 0.000 1.262 237 M CA -1.197 54.088 55.300 -0.025 0.000 0.795 237 M CB 1.309 33.865 32.600 -0.073 0.000 1.758 237 M HN -0.057 8.233 8.290 -0.000 0.000 0.461 238 E N 1.435 121.622 120.200 -0.020 0.000 2.003 238 E HA 0.197 4.550 4.350 0.005 0.000 0.279 238 E C 0.788 177.361 176.600 -0.046 0.000 1.132 238 E CA 0.262 56.652 56.400 -0.017 0.000 0.888 238 E CB 0.451 30.170 29.700 0.031 0.000 1.056 238 E HN 0.724 9.084 8.360 -0.000 0.000 0.399 239 R N 2.292 122.748 120.500 -0.074 0.000 2.159 239 R HA -0.239 4.104 4.340 0.005 0.000 0.252 239 R C 1.511 177.812 176.300 0.002 0.000 1.144 239 R CA 2.362 58.415 56.100 -0.079 0.000 0.961 239 R CB -0.434 29.757 30.300 -0.182 0.000 0.877 239 R HN 0.678 8.948 8.270 -0.000 0.000 0.444 240 T N -2.378 112.173 114.554 -0.005 0.000 3.118 240 T HA -0.025 4.328 4.350 0.005 0.000 0.260 240 T C 0.998 175.719 174.700 0.035 0.000 1.139 240 T CA 0.990 63.100 62.100 0.016 0.000 1.085 240 T CB -0.031 68.842 68.868 0.008 0.000 0.934 240 T HN 0.152 8.392 8.240 -0.000 0.000 0.518 241 D N 1.150 121.573 120.400 0.039 0.000 2.264 241 D HA 0.124 4.768 4.640 0.005 0.000 0.208 241 D C 0.335 176.691 176.300 0.093 0.000 0.966 241 D CA 0.631 54.689 54.000 0.098 0.000 0.864 241 D CB -0.122 40.760 40.800 0.137 0.000 0.933 241 D HN 0.504 8.874 8.370 -0.000 0.000 0.499 242 I N 0.444 121.024 120.570 0.016 0.000 2.354 242 I HA 0.109 4.282 4.170 0.005 0.000 0.292 242 I C 0.020 176.159 176.117 0.036 0.000 0.989 242 I CA -0.259 61.052 61.300 0.019 0.000 1.188 242 I CB 1.925 39.896 38.000 -0.047 0.000 1.342 242 I HN -0.366 7.844 8.210 -0.000 0.000 0.457 243 T N 7.433 122.007 114.554 0.032 0.000 2.723 243 T HA 0.339 4.692 4.350 0.005 0.000 0.297 243 T C 0.215 174.898 174.700 -0.029 0.000 0.925 243 T CA -0.452 61.649 62.100 0.003 0.000 1.030 243 T CB 0.176 69.046 68.868 0.003 0.000 0.905 243 T HN 0.272 8.512 8.240 -0.000 0.000 0.502 244 M N 4.241 123.809 119.600 -0.053 0.000 2.162 244 M HA 0.325 4.808 4.480 0.005 0.000 0.356 244 M C 0.515 176.764 176.300 -0.086 0.000 1.303 244 M CA 0.038 55.282 55.300 -0.093 0.000 1.116 244 M CB 0.742 33.241 32.600 -0.168 0.000 1.632 244 M HN 0.547 8.837 8.290 -0.000 0.000 0.469 245 K N 1.307 121.675 120.400 -0.054 0.000 2.220 245 K HA 0.432 4.755 4.320 0.005 0.000 0.265 245 K C 0.027 176.627 176.600 -0.000 0.000 0.988 245 K CA -0.808 55.409 56.287 -0.117 0.000 1.369 245 K CB 0.364 32.794 32.500 -0.117 0.000 2.234 245 K HN 0.486 8.736 8.250 -0.000 0.000 0.900 246 H N 1.555 120.695 119.070 0.117 0.000 2.508 246 H HA 0.165 4.724 4.556 0.005 0.000 0.358 246 H C -0.354 175.022 175.328 0.080 0.000 1.212 246 H CA -0.095 56.029 56.048 0.127 0.000 1.356 246 H CB 0.784 30.578 29.762 0.053 0.000 1.525 246 H HN 0.208 8.489 8.280 -0.000 0.000 0.578 247 K N 1.207 121.645 120.400 0.063 0.000 2.489 247 K HA -0.026 4.297 4.320 0.005 0.000 0.278 247 K C -0.113 176.421 176.600 -0.111 0.000 1.000 247 K CA -0.337 55.735 56.287 -0.359 0.000 1.012 247 K CB 0.380 32.661 32.500 -0.366 0.000 0.903 247 K HN 0.142 8.392 8.250 -0.000 0.000 0.485 248 L N 2.364 123.526 121.223 -0.101 0.000 2.439 248 L HA 0.146 4.489 4.340 0.005 0.000 0.269 248 L C 1.101 178.040 176.870 0.116 0.000 1.179 248 L CA 1.236 56.116 54.840 0.066 0.000 0.828 248 L CB 0.522 42.623 42.059 0.069 0.000 1.106 248 L HN 0.921 9.151 8.230 -0.000 0.000 0.467 249 G N 2.985 111.870 108.800 0.141 0.000 2.379 249 G HA2 -0.081 3.882 3.960 0.005 0.000 0.297 249 G HA3 -0.081 3.882 3.960 0.005 0.000 0.297 249 G C 0.983 175.850 174.900 -0.056 0.000 1.004 249 G CA 0.881 46.022 45.100 0.069 0.000 0.921 249 G HN 1.872 10.162 8.290 -0.000 0.000 0.511 250 G N -1.782 106.994 108.800 -0.040 0.000 2.148 250 G HA2 0.230 4.193 3.960 0.005 0.000 0.254 250 G HA3 0.230 4.193 3.960 0.005 0.000 0.254 250 G C 1.835 176.679 174.900 -0.094 0.000 0.981 250 G CA 0.816 45.875 45.100 -0.068 0.000 0.670 250 G HN 2.645 10.935 8.290 -0.000 0.000 0.528 251 G N -0.824 107.909 108.800 -0.112 0.000 2.175 251 G HA2 -0.203 3.761 3.960 0.005 0.000 0.244 251 G HA3 -0.203 3.761 3.960 0.005 0.000 0.244 251 G C 1.092 175.895 174.900 -0.161 0.000 0.982 251 G CA 1.224 46.249 45.100 -0.125 0.000 0.641 251 G HN 1.918 10.208 8.290 -0.000 0.000 0.527 252 Q N -0.808 118.833 119.800 -0.265 0.000 2.500 252 Q HA 0.152 4.495 4.340 0.005 0.000 0.213 252 Q C 1.603 177.293 176.000 -0.517 0.000 0.974 252 Q CA 1.374 56.939 55.803 -0.398 0.000 0.918 252 Q CB -0.252 28.171 28.738 -0.525 0.000 0.980 252 Q HN 0.664 8.934 8.270 -0.000 0.000 0.505 253 Y N -0.073 120.139 120.300 -0.146 0.000 2.481 253 Y HA 0.364 4.917 4.550 0.005 0.000 0.247 253 Y C 1.340 177.176 175.900 -0.106 0.000 1.151 253 Y CA -0.161 57.838 58.100 -0.169 0.000 1.238 253 Y CB 1.248 39.535 38.460 -0.288 0.000 1.179 253 Y HN 0.335 8.615 8.280 -0.000 0.000 0.524 254 G N 0.900 109.699 108.800 -0.001 0.000 2.498 254 G HA2 -0.248 3.715 3.960 0.005 0.000 0.251 254 G HA3 -0.248 3.715 3.960 0.005 0.000 0.251 254 G C -0.273 174.611 174.900 -0.027 0.000 1.170 254 G CA -0.463 44.635 45.100 -0.004 0.000 0.944 254 G HN 0.161 8.451 8.290 -0.000 0.000 0.567 255 E N 1.052 121.274 120.200 0.037 0.000 2.222 255 E HA 0.391 4.744 4.350 0.005 0.000 0.312 255 E C -0.212 176.448 176.600 0.100 0.000 1.263 255 E CA 0.229 56.681 56.400 0.087 0.000 1.356 255 E CB 0.432 30.255 29.700 0.205 0.000 1.180 255 E HN 0.470 8.830 8.360 -0.000 0.000 0.494 256 V N 2.547 122.391 119.914 -0.116 0.000 2.531 256 V HA 0.315 4.438 4.120 0.005 0.000 0.301 256 V C -0.834 175.099 176.094 -0.269 0.000 1.034 256 V CA -0.854 61.412 62.300 -0.057 0.000 0.865 256 V CB 1.005 32.793 31.823 -0.059 0.000 0.995 256 V HN 0.299 8.489 8.190 -0.000 0.000 0.424 257 Y N 1.476 121.764 120.300 -0.020 0.000 2.429 257 Y HA 0.438 4.991 4.550 0.005 0.000 0.342 257 Y C 0.482 176.374 175.900 -0.014 0.000 1.004 257 Y CA -0.767 57.322 58.100 -0.019 0.000 1.075 257 Y CB 1.598 40.011 38.460 -0.077 0.000 1.214 257 Y HN 0.659 8.939 8.280 -0.000 0.000 0.455 258 E N 1.385 121.660 120.200 0.125 0.000 2.384 258 E HA 0.434 4.787 4.350 0.005 0.000 0.266 258 E C -0.301 176.308 176.600 0.016 0.000 1.012 258 E CA -0.025 56.405 56.400 0.049 0.000 0.901 258 E CB 0.561 30.245 29.700 -0.026 0.000 0.967 258 E HN 0.895 9.255 8.360 -0.000 0.000 0.435 259 G N 1.717 110.503 108.800 -0.024 0.000 2.680 259 G HA2 0.507 4.470 3.960 0.005 0.000 0.290 259 G HA3 0.507 4.470 3.960 0.005 0.000 0.290 259 G C -1.412 173.482 174.900 -0.011 0.000 1.355 259 G CA -0.569 44.515 45.100 -0.027 0.000 0.903 259 G HN 0.429 8.719 8.290 -0.000 0.000 0.474 260 V N 0.689 120.617 119.914 0.023 0.000 2.409 260 V HA 0.341 4.464 4.120 0.005 0.000 0.291 260 V C -1.012 175.202 176.094 0.200 0.000 1.020 260 V CA -0.826 61.522 62.300 0.081 0.000 0.848 260 V CB 1.758 33.603 31.823 0.036 0.000 0.990 260 V HN 0.707 8.897 8.190 -0.000 0.000 0.430 261 W N 5.792 127.114 121.300 0.037 0.000 2.365 261 W HA 0.376 5.039 4.660 0.005 0.000 0.371 261 W C 1.018 177.553 176.519 0.027 0.000 1.006 261 W CA -1.453 55.935 57.345 0.072 0.000 1.528 261 W CB 0.395 29.952 29.460 0.161 0.000 1.497 261 W HN 0.694 8.874 8.180 -0.000 0.000 0.367 262 K N 2.994 123.581 120.400 0.311 0.000 2.063 262 K HA -0.250 4.073 4.320 0.005 0.000 0.208 262 K C 1.951 178.512 176.600 -0.065 0.000 1.048 262 K CA 1.542 57.883 56.287 0.089 0.000 0.928 262 K CB 0.037 32.575 32.500 0.063 0.000 0.713 262 K HN 0.277 8.527 8.250 -0.000 0.000 0.442 263 K N 0.243 120.530 120.400 -0.187 0.000 2.160 263 K HA -0.177 4.146 4.320 0.005 0.000 0.206 263 K C 0.929 176.984 176.600 -0.908 0.000 1.047 263 K CA 1.566 57.498 56.287 -0.590 0.000 0.930 263 K CB 0.051 32.041 32.500 -0.850 0.000 0.720 263 K HN 0.287 8.537 8.250 -0.000 0.000 0.450 264 Y N -0.758 119.331 120.300 -0.352 0.000 2.531 264 Y HA 0.209 4.762 4.550 0.005 0.000 0.249 264 Y C 0.458 176.261 175.900 -0.162 0.000 1.168 264 Y CA -0.428 57.483 58.100 -0.314 0.000 1.226 264 Y CB 0.898 39.049 38.460 -0.515 0.000 1.177 264 Y HN -0.137 8.143 8.280 -0.000 0.000 0.527 265 S N 1.330 117.007 115.700 -0.039 0.000 3.614 265 S HA -0.221 4.253 4.470 0.005 0.000 0.360 265 S C -0.414 174.209 174.600 0.039 0.000 1.023 265 S CA 0.555 58.758 58.200 0.004 0.000 1.114 265 S CB -1.482 61.712 63.200 -0.010 0.000 0.907 265 S HN 0.408 8.718 8.310 -0.000 0.000 0.470 266 L N 1.327 122.605 121.223 0.091 0.000 2.333 266 L HA 0.591 4.934 4.340 0.005 0.000 0.280 266 L C 0.211 177.156 176.870 0.124 0.000 1.004 266 L CA 0.044 54.948 54.840 0.108 0.000 0.820 266 L CB 1.697 43.836 42.059 0.132 0.000 1.247 266 L HN 0.084 8.314 8.230 -0.000 0.000 0.416 267 T N 4.816 119.391 114.554 0.035 0.000 2.884 267 T HA 0.530 4.883 4.350 0.005 0.000 0.298 267 T C -0.182 174.549 174.700 0.051 0.000 0.998 267 T CA 0.062 62.123 62.100 -0.066 0.000 1.124 267 T CB 0.751 69.430 68.868 -0.315 0.000 0.931 267 T HN 0.620 8.860 8.240 -0.000 0.000 0.531 268 V N -0.120 119.835 119.914 0.068 0.000 3.102 268 V HA 1.003 5.126 4.120 0.005 0.000 0.312 268 V C -0.521 175.680 176.094 0.177 0.000 1.135 268 V CA -1.606 60.802 62.300 0.179 0.000 1.022 268 V CB 1.698 33.637 31.823 0.193 0.000 1.056 268 V HN 0.981 9.171 8.190 -0.000 0.000 0.436 269 A N 1.488 124.425 122.820 0.194 0.000 2.305 269 A HA 0.875 5.198 4.320 0.005 0.000 0.322 269 A C -0.645 176.963 177.584 0.040 0.000 1.187 269 A CA -0.660 51.455 52.037 0.130 0.000 0.825 269 A CB 1.442 20.487 19.000 0.075 0.000 1.164 269 A HN 1.523 9.673 8.150 -0.000 0.000 0.498 270 V N 3.038 122.960 119.914 0.013 0.000 2.419 270 V HA 0.310 4.433 4.120 0.005 0.000 0.287 270 V C -0.014 176.093 176.094 0.021 0.000 1.017 270 V CA -0.654 61.610 62.300 -0.060 0.000 0.844 270 V CB 1.317 32.984 31.823 -0.261 0.000 1.011 270 V HN 0.945 9.135 8.190 -0.000 0.000 0.429 271 K N 2.594 123.043 120.400 0.081 0.000 2.234 271 K HA 0.642 4.965 4.320 0.005 0.000 0.282 271 K C -0.250 176.577 176.600 0.378 0.000 1.039 271 K CA -0.019 56.392 56.287 0.206 0.000 0.928 271 K CB 1.415 34.018 32.500 0.171 0.000 1.039 271 K HN 0.757 9.007 8.250 -0.000 0.000 0.470 272 T N 2.920 117.695 114.554 0.368 0.000 2.887 272 T HA 0.638 4.992 4.350 0.005 0.000 0.292 272 T C -1.613 173.163 174.700 0.126 0.000 1.087 272 T CA -0.779 61.503 62.100 0.303 0.000 1.009 272 T CB 1.089 70.088 68.868 0.219 0.000 1.203 272 T HN 0.537 8.777 8.240 -0.000 0.000 0.518 281 E N 1.821 122.094 120.200 0.122 0.000 2.058 281 E HA -0.229 4.124 4.350 0.005 0.000 0.194 281 E C 1.846 178.508 176.600 0.103 0.000 0.997 281 E CA 2.427 58.889 56.400 0.104 0.000 0.801 281 E CB -0.131 29.605 29.700 0.061 0.000 0.746 281 E HN 0.696 9.056 8.360 -0.000 0.000 0.450 282 E N -0.921 119.337 120.200 0.097 0.000 2.070 282 E HA -0.211 4.142 4.350 0.005 0.000 0.197 282 E C 2.006 178.672 176.600 0.110 0.000 1.004 282 E CA 1.356 57.802 56.400 0.077 0.000 0.805 282 E CB -0.372 29.370 29.700 0.071 0.000 0.744 282 E HN 0.352 8.712 8.360 -0.000 0.000 0.451 283 F N 1.092 121.063 119.950 0.035 0.000 2.163 283 F HA -0.109 4.421 4.527 0.005 0.000 0.297 283 F C 1.982 177.800 175.800 0.030 0.000 1.094 283 F CA 1.020 59.051 58.000 0.053 0.000 1.290 283 F CB 0.055 39.129 39.000 0.122 0.000 1.017 283 F HN -0.095 8.205 8.300 -0.000 0.000 0.483 284 L N 0.383 121.788 121.223 0.303 0.000 2.093 284 L HA -0.211 4.132 4.340 0.005 0.000 0.208 284 L C 2.514 179.374 176.870 -0.017 0.000 1.085 284 L CA 1.534 56.445 54.840 0.120 0.000 0.755 284 L CB -0.767 41.367 42.059 0.125 0.000 0.904 284 L HN 0.127 8.357 8.230 -0.000 0.000 0.435 285 K N 0.621 121.015 120.400 -0.009 0.000 2.097 285 K HA -0.229 4.094 4.320 0.005 0.000 0.205 285 K C 1.998 178.522 176.600 -0.126 0.000 1.050 285 K CA 1.388 57.643 56.287 -0.052 0.000 0.938 285 K CB 0.066 32.549 32.500 -0.029 0.000 0.718 285 K HN 0.286 8.536 8.250 -0.000 0.000 0.442 286 E N 0.146 120.245 120.200 -0.169 0.000 2.058 286 E HA -0.214 4.139 4.350 0.005 0.000 0.194 286 E C 1.831 178.246 176.600 -0.308 0.000 0.997 286 E CA 1.188 57.432 56.400 -0.259 0.000 0.801 286 E CB -0.166 29.342 29.700 -0.320 0.000 0.746 286 E HN 0.422 8.782 8.360 -0.000 0.000 0.450 287 A N 1.274 123.891 122.820 -0.338 0.000 1.892 287 A HA -0.235 4.088 4.320 0.005 0.000 0.218 287 A C 2.414 179.825 177.584 -0.289 0.000 1.188 287 A CA 2.333 54.175 52.037 -0.325 0.000 0.631 287 A CB -0.988 17.852 19.000 -0.266 0.000 0.822 287 A HN 0.443 8.593 8.150 -0.000 0.000 0.447 288 A N -0.861 121.836 122.820 -0.206 0.000 1.902 288 A HA 0.017 4.340 4.320 0.005 0.000 0.217 288 A C 2.242 179.719 177.584 -0.178 0.000 1.181 288 A CA 1.743 53.683 52.037 -0.161 0.000 0.623 288 A CB -0.967 17.982 19.000 -0.084 0.000 0.818 288 A HN 0.427 8.577 8.150 -0.000 0.000 0.443 289 V N -0.033 119.755 119.914 -0.210 0.000 2.332 289 V HA -0.333 3.790 4.120 0.005 0.000 0.248 289 V C 2.632 178.521 176.094 -0.341 0.000 1.055 289 V CA 2.349 64.475 62.300 -0.290 0.000 1.038 289 V CB -0.661 30.939 31.823 -0.371 0.000 0.651 289 V HN 0.591 8.781 8.190 -0.000 0.000 0.450 290 M N -0.887 118.503 119.600 -0.350 0.000 2.296 290 M HA -0.155 4.328 4.480 0.005 0.000 0.265 290 M C 2.115 178.158 176.300 -0.430 0.000 1.064 290 M CA 1.562 56.639 55.300 -0.371 0.000 1.109 290 M CB -0.385 31.989 32.600 -0.377 0.000 1.396 290 M HN 0.251 8.541 8.290 -0.000 0.000 0.430 291 K N -0.008 120.099 120.400 -0.489 0.000 2.283 291 K HA -0.096 4.227 4.320 0.005 0.000 0.202 291 K C 1.445 177.963 176.600 -0.137 0.000 1.048 291 K CA 0.688 56.639 56.287 -0.560 0.000 0.948 291 K CB 0.008 32.190 32.500 -0.531 0.000 0.742 291 K HN 0.241 8.491 8.250 -0.000 0.000 0.458 292 E N 0.757 120.913 120.200 -0.073 0.000 2.478 292 E HA 0.037 4.390 4.350 0.005 0.000 0.194 292 E C 0.626 177.328 176.600 0.170 0.000 1.045 292 E CA 0.388 56.843 56.400 0.092 0.000 0.868 292 E CB 0.053 29.864 29.700 0.186 0.000 0.885 292 E HN 0.443 8.803 8.360 -0.000 0.000 0.505 293 I N -1.735 118.884 120.570 0.081 0.000 2.465 293 I HA 0.515 4.688 4.170 0.005 0.000 0.291 293 I C -0.408 175.803 176.117 0.156 0.000 1.014 293 I CA -1.006 60.433 61.300 0.233 0.000 1.093 293 I CB 2.021 40.117 38.000 0.160 0.000 1.267 293 I HN -0.334 7.876 8.210 -0.000 0.000 0.431 294 K N 5.146 125.655 120.400 0.181 0.000 2.581 294 K HA 0.454 4.777 4.320 0.005 0.000 0.249 294 K C -1.842 174.573 176.600 -0.309 0.000 0.966 294 K CA -0.554 55.725 56.287 -0.013 0.000 0.811 294 K CB 1.625 34.171 32.500 0.075 0.000 1.223 294 K HN 0.886 9.136 8.250 -0.000 0.000 0.438 295 H N 4.641 123.470 119.070 -0.402 0.000 3.112 295 H HA 0.182 4.742 4.556 0.005 0.000 0.347 295 H C -2.432 172.739 175.328 -0.262 0.000 1.188 295 H CA -1.246 54.494 56.048 -0.514 0.000 1.240 295 H CB 2.392 31.639 29.762 -0.858 0.000 1.920 295 H HN 0.373 8.653 8.280 -0.000 0.000 0.535 296 P HA -0.048 4.372 4.420 -0.000 0.000 0.222 296 P C -0.040 177.214 177.300 -0.076 0.000 1.147 296 P CA 1.084 64.033 63.100 -0.252 0.000 0.790 296 P CB 0.373 31.890 31.700 -0.305 0.000 0.780 297 N N -1.060 117.732 118.700 0.154 0.000 2.282 297 N HA 0.232 4.975 4.740 0.005 0.000 0.240 297 N C -0.250 175.279 175.510 0.032 0.000 1.182 297 N CA -0.120 52.990 53.050 0.100 0.000 0.874 297 N CB 0.304 38.842 38.487 0.085 0.000 1.126 297 N HN 0.076 8.456 8.380 -0.000 0.000 0.516 298 L N 0.624 121.862 121.223 0.024 0.000 2.346 298 L HA 0.452 4.795 4.340 0.005 0.000 0.276 298 L C -0.045 176.796 176.870 -0.049 0.000 1.006 298 L CA -1.128 53.686 54.840 -0.043 0.000 0.817 298 L CB 2.104 44.130 42.059 -0.056 0.000 1.272 298 L HN -0.095 8.135 8.230 -0.000 0.000 0.421 299 V N 3.612 123.487 119.914 -0.065 0.000 2.694 299 V HA -0.062 4.061 4.120 0.005 0.000 0.306 299 V C 0.218 176.283 176.094 -0.050 0.000 1.054 299 V CA 0.269 62.539 62.300 -0.049 0.000 1.161 299 V CB 1.229 33.025 31.823 -0.045 0.000 0.916 299 V HN 0.877 9.067 8.190 -0.000 0.000 0.490 300 Q N 5.157 124.945 119.800 -0.020 0.000 2.322 300 Q HA 0.347 4.691 4.340 0.005 0.000 0.256 300 Q C -0.628 175.372 176.000 0.001 0.000 0.960 300 Q CA -0.891 54.910 55.803 -0.003 0.000 0.934 300 Q CB 1.399 30.158 28.738 0.034 0.000 1.200 300 Q HN 0.795 9.065 8.270 -0.000 0.000 0.435 301 L N 4.936 126.121 121.223 -0.065 0.000 2.455 301 L HA 0.030 4.373 4.340 0.005 0.000 0.272 301 L C -0.223 176.710 176.870 0.106 0.000 1.174 301 L CA 0.872 55.649 54.840 -0.105 0.000 0.869 301 L CB 0.507 42.321 42.059 -0.408 0.000 1.130 301 L HN 0.900 9.130 8.230 -0.000 0.000 0.474 302 L N 4.436 125.765 121.223 0.176 0.000 2.500 302 L HA 0.522 4.865 4.340 0.005 0.000 0.219 302 L C 0.953 178.056 176.870 0.388 0.000 1.057 302 L CA 0.364 55.415 54.840 0.350 0.000 0.854 302 L CB -0.063 42.208 42.059 0.353 0.000 1.078 302 L HN 0.841 9.071 8.230 -0.000 0.000 0.480 303 G N -0.210 108.726 108.800 0.227 0.000 2.356 303 G HA2 0.459 4.422 3.960 0.005 0.000 0.294 303 G HA3 0.459 4.422 3.960 0.005 0.000 0.294 303 G C -1.892 173.056 174.900 0.080 0.000 1.423 303 G CA 0.007 45.234 45.100 0.212 0.000 0.806 303 G HN -0.122 8.168 8.290 -0.000 0.000 0.527 304 V N -3.694 116.267 119.914 0.078 0.000 3.078 304 V HA 0.818 4.941 4.120 0.005 0.000 0.311 304 V C -0.564 175.539 176.094 0.016 0.000 1.138 304 V CA -1.106 61.219 62.300 0.042 0.000 1.007 304 V CB 1.586 33.403 31.823 -0.011 0.000 1.045 304 V HN 1.253 9.443 8.190 -0.000 0.000 0.432 305 C N 2.557 121.868 119.300 0.017 0.000 2.647 305 C HA 0.664 5.127 4.460 0.005 0.000 0.273 305 C C 1.038 175.931 174.990 -0.162 0.000 1.088 305 C CA 0.326 59.287 59.018 -0.094 0.000 1.529 305 C CB -0.300 27.306 27.740 -0.222 0.000 1.810 305 C HN 1.089 9.319 8.230 -0.000 0.000 0.422 306 T N -1.900 112.484 114.554 -0.283 0.000 3.288 306 T HA 0.149 4.503 4.350 0.005 0.000 0.293 306 T C 1.395 175.760 174.700 -0.559 0.000 1.008 306 T CA -0.244 61.419 62.100 -0.729 0.000 0.929 306 T CB 0.166 68.633 68.868 -0.668 0.000 1.152 306 T HN 0.307 8.547 8.240 -0.000 0.000 0.517 307 R N 2.116 122.482 120.500 -0.223 0.000 2.060 307 R HA 0.299 4.642 4.340 0.005 0.000 0.225 307 R C 0.344 176.696 176.300 0.086 0.000 1.155 307 R CA 1.187 57.242 56.100 -0.075 0.000 0.930 307 R CB -0.424 29.848 30.300 -0.047 0.000 0.829 307 R HN 0.561 8.831 8.270 -0.000 0.000 0.433 308 E N -0.301 119.989 120.200 0.149 0.000 2.281 308 E HA 0.430 4.783 4.350 0.005 0.000 0.262 308 E C -2.575 174.218 176.600 0.322 0.000 0.933 308 E CA -2.321 54.202 56.400 0.205 0.000 0.809 308 E CB 0.765 30.493 29.700 0.045 0.000 1.242 308 E HN -0.063 8.297 8.360 -0.000 0.000 0.418 309 P HA 0.172 4.592 4.420 -0.000 0.000 0.274 309 P C -2.403 174.827 177.300 -0.117 0.000 1.237 309 P CA -1.267 61.707 63.100 -0.210 0.000 0.793 309 P CB -0.295 31.180 31.700 -0.375 0.000 0.977 310 P HA 0.139 4.559 4.420 -0.000 0.000 0.276 310 P C -0.428 176.835 177.300 -0.061 0.000 1.253 310 P CA 0.131 63.140 63.100 -0.152 0.000 0.766 310 P CB 0.101 31.759 31.700 -0.070 0.000 0.845 311 F N 2.861 122.668 119.950 -0.240 0.000 2.578 311 F HA 0.074 4.604 4.527 0.005 0.000 0.376 311 F C 0.907 176.768 175.800 0.101 0.000 1.085 311 F CA -0.177 57.706 58.000 -0.196 0.000 1.260 311 F CB 0.258 39.011 39.000 -0.412 0.000 1.095 311 F HN 0.274 8.574 8.300 -0.000 0.000 0.573 312 Y N 3.531 123.998 120.300 0.278 0.000 2.468 312 Y HA 0.587 5.140 4.550 0.006 0.000 0.342 312 Y C -0.007 176.078 175.900 0.309 0.000 1.021 312 Y CA -1.386 56.887 58.100 0.287 0.000 1.079 312 Y CB 2.361 40.882 38.460 0.101 0.000 1.226 312 Y HN 0.279 8.559 8.280 -0.000 0.000 0.460 313 I N 4.325 125.133 120.570 0.397 0.000 2.418 313 I HA 0.354 4.527 4.170 0.005 0.000 0.287 313 I C -0.850 175.295 176.117 0.046 0.000 1.008 313 I CA -0.488 60.859 61.300 0.079 0.000 1.104 313 I CB 1.706 39.597 38.000 -0.181 0.000 1.264 313 I HN 0.389 8.599 8.210 -0.000 0.000 0.438 314 I N 5.739 126.319 120.570 0.015 0.000 2.404 314 I HA 0.459 4.633 4.170 0.005 0.000 0.293 314 I C 0.219 176.345 176.117 0.016 0.000 0.992 314 I CA -0.287 61.014 61.300 0.001 0.000 1.149 314 I CB 2.012 39.983 38.000 -0.049 0.000 1.315 314 I HN 0.573 8.783 8.210 -0.000 0.000 0.446 315 T N 1.051 115.628 114.554 0.038 0.000 2.887 315 T HA 0.440 4.793 4.350 0.005 0.000 0.292 315 T C -0.399 174.368 174.700 0.111 0.000 1.087 315 T CA -1.030 61.104 62.100 0.056 0.000 1.009 315 T CB 1.595 70.473 68.868 0.017 0.000 1.203 315 T HN 0.660 8.900 8.240 -0.000 0.000 0.518 316 E N 0.453 120.721 120.200 0.113 0.000 2.438 316 E HA 0.228 4.581 4.350 0.005 0.000 0.261 316 E C -1.145 175.547 176.600 0.153 0.000 1.103 316 E CA -0.711 55.774 56.400 0.141 0.000 0.959 316 E CB 0.288 30.044 29.700 0.094 0.000 0.958 316 E HN 0.528 8.888 8.360 -0.000 0.000 0.447 317 F N 1.834 121.797 119.950 0.022 0.000 2.443 317 F HA 0.341 4.871 4.527 0.005 0.000 0.335 317 F C -0.553 175.239 175.800 -0.013 0.000 1.104 317 F CA -1.099 56.896 58.000 -0.007 0.000 1.013 317 F CB 1.350 40.348 39.000 -0.004 0.000 1.136 317 F HN 0.327 8.627 8.300 -0.000 0.000 0.470 318 M N 5.873 125.155 119.600 -0.531 0.000 2.101 318 M HA 0.171 4.654 4.480 0.005 0.000 0.340 318 M C 1.067 177.108 176.300 -0.432 0.000 1.057 318 M CA -0.281 54.840 55.300 -0.298 0.000 0.984 318 M CB 1.244 33.724 32.600 -0.200 0.000 1.560 318 M HN 0.708 8.998 8.290 -0.000 0.000 0.435 319 T N 1.882 116.325 114.554 -0.185 0.000 2.685 319 T HA -0.191 4.162 4.350 0.005 0.000 0.268 319 T C 1.097 175.539 174.700 -0.431 0.000 1.034 319 T CA 2.103 64.055 62.100 -0.246 0.000 1.149 319 T CB -0.239 68.384 68.868 -0.409 0.000 0.860 319 T HN 0.575 8.815 8.240 -0.000 0.000 0.449 320 Y N 0.917 121.186 120.300 -0.052 0.000 2.457 320 Y HA 0.415 4.968 4.550 0.004 0.000 0.263 320 Y C 1.734 177.644 175.900 0.017 0.000 1.164 320 Y CA -0.093 58.016 58.100 0.015 0.000 1.274 320 Y CB -0.062 38.388 38.460 -0.018 0.000 1.097 320 Y HN 0.431 8.711 8.280 -0.000 0.000 0.523 321 G N 1.446 110.236 108.800 -0.017 0.000 2.642 321 G HA2 -0.341 3.622 3.960 0.005 0.000 0.231 321 G HA3 -0.341 3.622 3.960 0.005 0.000 0.231 321 G C -0.453 174.500 174.900 0.089 0.000 1.338 321 G CA -0.409 44.689 45.100 -0.003 0.000 0.883 321 G HN 0.600 8.890 8.290 -0.000 0.000 0.570 322 N N -0.149 118.651 118.700 0.167 0.000 2.518 322 N HA 0.396 5.139 4.740 0.005 0.000 0.266 322 N C 1.333 176.976 175.510 0.221 0.000 1.196 322 N CA 0.120 53.309 53.050 0.232 0.000 0.947 322 N CB 1.176 39.855 38.487 0.319 0.000 1.098 322 N HN 1.025 9.405 8.380 -0.000 0.000 0.450 323 L N 2.134 123.472 121.223 0.191 0.000 2.083 323 L HA -0.037 4.306 4.340 0.005 0.000 0.209 323 L C 1.690 178.693 176.870 0.221 0.000 1.083 323 L CA 1.394 56.346 54.840 0.185 0.000 0.752 323 L CB -0.995 41.128 42.059 0.107 0.000 0.899 323 L HN 0.843 9.073 8.230 -0.000 0.000 0.433 324 L N -0.483 120.856 121.223 0.194 0.000 1.994 324 L HA -0.196 4.148 4.340 0.005 0.000 0.208 324 L C 2.095 179.069 176.870 0.174 0.000 1.071 324 L CA 2.012 56.961 54.840 0.181 0.000 0.745 324 L CB -1.007 41.155 42.059 0.172 0.000 0.892 324 L HN 0.302 8.532 8.230 -0.000 0.000 0.431 325 D N -1.568 118.936 120.400 0.173 0.000 2.144 325 D HA -0.251 4.392 4.640 0.005 0.000 0.199 325 D C 2.000 178.400 176.300 0.168 0.000 0.984 325 D CA 1.556 55.647 54.000 0.151 0.000 0.834 325 D CB -0.320 40.562 40.800 0.137 0.000 0.955 325 D HN 0.481 8.851 8.370 -0.000 0.000 0.465 326 Y N 1.598 121.965 120.300 0.112 0.000 2.097 326 Y HA -0.212 4.341 4.550 0.005 0.000 0.282 326 Y C 2.308 178.269 175.900 0.103 0.000 1.152 326 Y CA 1.436 59.602 58.100 0.110 0.000 1.136 326 Y CB -0.505 38.022 38.460 0.112 0.000 0.975 326 Y HN -0.104 8.176 8.280 -0.000 0.000 0.498 327 L N -0.169 121.143 121.223 0.148 0.000 2.042 327 L HA -0.273 4.071 4.340 0.005 0.000 0.210 327 L C 2.591 179.510 176.870 0.081 0.000 1.076 327 L CA 1.765 56.672 54.840 0.111 0.000 0.749 327 L CB -0.514 41.631 42.059 0.143 0.000 0.893 327 L HN 0.180 8.410 8.230 -0.000 0.000 0.432 328 R N -0.110 120.433 120.500 0.071 0.000 2.120 328 R HA -0.149 4.195 4.340 0.005 0.000 0.234 328 R C 1.681 177.969 176.300 -0.020 0.000 1.123 328 R CA 1.294 57.421 56.100 0.045 0.000 0.975 328 R CB -0.142 30.197 30.300 0.064 0.000 0.866 328 R HN 0.463 8.733 8.270 -0.000 0.000 0.446 329 E N -0.136 120.028 120.200 -0.059 0.000 2.481 329 E HA 0.021 4.374 4.350 0.005 0.000 0.198 329 E C 0.434 176.935 176.600 -0.167 0.000 1.027 329 E CA -0.234 56.118 56.400 -0.081 0.000 0.900 329 E CB 0.411 30.094 29.700 -0.028 0.000 0.993 329 E HN 0.357 8.717 8.360 -0.000 0.000 0.482 330 C N 0.911 120.044 119.300 -0.279 0.000 2.649 330 C HA 0.301 4.764 4.460 0.005 0.000 0.377 330 C C 0.691 175.556 174.990 -0.208 0.000 1.321 330 C CA -1.446 57.347 59.018 -0.374 0.000 2.368 330 C CB 0.159 27.577 27.740 -0.536 0.000 2.597 330 C HN 0.163 8.393 8.230 -0.000 0.000 0.678 331 N N 1.087 119.696 118.700 -0.151 0.000 2.405 331 N HA 0.137 4.880 4.740 0.005 0.000 0.260 331 N C 1.019 176.466 175.510 -0.104 0.000 1.152 331 N CA 0.116 53.108 53.050 -0.097 0.000 0.948 331 N CB 0.178 38.643 38.487 -0.037 0.000 1.111 331 N HN 0.713 9.093 8.380 -0.000 0.000 0.485 332 R N 1.975 122.374 120.500 -0.168 0.000 2.189 332 R HA -0.013 4.330 4.340 0.005 0.000 0.218 332 R C 1.270 177.519 176.300 -0.084 0.000 1.074 332 R CA 0.735 56.708 56.100 -0.212 0.000 0.991 332 R CB 0.234 30.268 30.300 -0.443 0.000 0.883 332 R HN 0.644 8.914 8.270 -0.000 0.000 0.457 333 Q N 0.572 120.337 119.800 -0.058 0.000 2.119 333 Q HA -0.182 4.162 4.340 0.005 0.000 0.201 333 Q C 1.856 177.865 176.000 0.015 0.000 0.972 333 Q CA 1.262 57.055 55.803 -0.017 0.000 0.847 333 Q CB -0.021 28.707 28.738 -0.015 0.000 0.903 333 Q HN 0.501 8.771 8.270 -0.000 0.000 0.433 334 E N 0.522 120.737 120.200 0.024 0.000 2.047 334 E HA -0.083 4.271 4.350 0.005 0.000 0.191 334 E C 0.099 176.729 176.600 0.049 0.000 0.987 334 E CA 0.647 57.087 56.400 0.066 0.000 0.799 334 E CB 0.440 30.201 29.700 0.100 0.000 0.752 334 E HN 0.009 8.369 8.360 -0.000 0.000 0.449 335 V N 3.388 123.322 119.914 0.035 0.000 2.174 335 V HA 0.090 4.214 4.120 0.005 0.000 0.259 335 V C 0.178 176.340 176.094 0.113 0.000 1.261 335 V CA -0.101 62.208 62.300 0.015 0.000 1.137 335 V CB -0.005 31.871 31.823 0.087 0.000 1.290 335 V HN 0.261 8.451 8.190 -0.000 0.000 0.486 336 S N 2.876 118.610 115.700 0.057 0.000 2.671 336 S HA 0.625 5.098 4.470 0.005 0.000 0.272 336 S C 1.684 176.322 174.600 0.063 0.000 1.174 336 S CA 0.033 58.283 58.200 0.083 0.000 1.004 336 S CB 1.522 64.753 63.200 0.053 0.000 1.077 336 S HN 0.637 8.947 8.310 -0.000 0.000 0.553 337 A N 0.297 123.152 122.820 0.059 0.000 1.917 337 A HA -0.066 4.257 4.320 0.005 0.000 0.219 337 A C 2.146 179.754 177.584 0.040 0.000 1.182 337 A CA 2.037 54.091 52.037 0.028 0.000 0.633 337 A CB -1.516 17.505 19.000 0.035 0.000 0.819 337 A HN 0.776 8.926 8.150 -0.000 0.000 0.448 338 V N -0.535 119.422 119.914 0.072 0.000 2.515 338 V HA -0.182 3.941 4.120 0.005 0.000 0.250 338 V C 2.496 178.682 176.094 0.154 0.000 1.058 338 V CA 1.741 64.122 62.300 0.135 0.000 1.064 338 V CB -0.444 31.456 31.823 0.128 0.000 0.675 338 V HN 0.396 8.586 8.190 -0.000 0.000 0.461 339 V N -0.289 119.667 119.914 0.070 0.000 2.379 339 V HA -0.187 3.936 4.120 0.005 0.000 0.245 339 V C 2.264 178.349 176.094 -0.015 0.000 1.044 339 V CA 1.573 63.889 62.300 0.026 0.000 1.036 339 V CB -0.455 31.254 31.823 -0.190 0.000 0.664 339 V HN 0.428 8.618 8.190 -0.000 0.000 0.453 340 L N -0.571 120.613 121.223 -0.065 0.000 2.046 340 L HA -0.197 4.146 4.340 0.005 0.000 0.208 340 L C 2.514 179.300 176.870 -0.139 0.000 1.077 340 L CA 1.398 56.155 54.840 -0.139 0.000 0.747 340 L CB -0.699 41.234 42.059 -0.211 0.000 0.896 340 L HN 0.352 8.582 8.230 -0.000 0.000 0.432 341 L N -0.673 120.514 121.223 -0.060 0.000 1.990 341 L HA -0.312 4.031 4.340 0.005 0.000 0.213 341 L C 2.561 179.305 176.870 -0.211 0.000 1.072 341 L CA 1.938 56.739 54.840 -0.065 0.000 0.755 341 L CB -0.947 41.189 42.059 0.128 0.000 0.889 341 L HN 0.170 8.400 8.230 -0.000 0.000 0.432 342 Y N 0.005 120.088 120.300 -0.362 0.000 2.102 342 Y HA -0.332 4.221 4.550 0.005 0.000 0.280 342 Y C 2.431 178.091 175.900 -0.400 0.000 1.178 342 Y CA 2.406 60.133 58.100 -0.622 0.000 1.146 342 Y CB -0.521 37.755 38.460 -0.307 0.000 0.968 342 Y HN 0.294 8.574 8.280 -0.000 0.000 0.504 343 M N -0.840 118.578 119.600 -0.303 0.000 2.132 343 M HA -0.169 4.314 4.480 0.005 0.000 0.263 343 M C 2.472 178.582 176.300 -0.316 0.000 1.065 343 M CA 1.686 56.778 55.300 -0.345 0.000 1.122 343 M CB -0.540 31.935 32.600 -0.208 0.000 1.365 343 M HN 0.341 8.631 8.290 -0.000 0.000 0.411 344 A N -0.009 122.596 122.820 -0.358 0.000 1.902 344 A HA -0.140 4.183 4.320 0.005 0.000 0.217 344 A C 2.189 179.496 177.584 -0.462 0.000 1.181 344 A CA 2.177 53.948 52.037 -0.444 0.000 0.623 344 A CB -1.153 17.375 19.000 -0.786 0.000 0.818 344 A HN 0.457 8.607 8.150 -0.000 0.000 0.443 345 T N 0.179 114.430 114.554 -0.505 0.000 2.684 345 T HA -0.209 4.144 4.350 0.005 0.000 0.267 345 T C 2.063 176.724 174.700 -0.065 0.000 1.036 345 T CA 1.840 63.817 62.100 -0.206 0.000 1.148 345 T CB -0.311 68.419 68.868 -0.229 0.000 0.863 345 T HN 0.634 8.874 8.240 -0.000 0.000 0.436 346 Q N 0.114 119.785 119.800 -0.215 0.000 2.084 346 Q HA -0.002 4.342 4.340 0.005 0.000 0.202 346 Q C 2.361 178.288 176.000 -0.121 0.000 0.978 346 Q CA 1.191 56.890 55.803 -0.173 0.000 0.844 346 Q CB -0.364 28.173 28.738 -0.335 0.000 0.898 346 Q HN 0.523 8.793 8.270 -0.000 0.000 0.426 347 I N 0.623 121.133 120.570 -0.100 0.000 2.252 347 I HA -0.261 3.912 4.170 0.005 0.000 0.245 347 I C 2.533 178.588 176.117 -0.104 0.000 1.102 347 I CA 1.265 62.541 61.300 -0.040 0.000 1.385 347 I CB -0.327 37.746 38.000 0.121 0.000 1.064 347 I HN 0.211 8.421 8.210 -0.000 0.000 0.414 348 S N -0.751 114.913 115.700 -0.059 0.000 2.419 348 S HA -0.185 4.288 4.470 0.005 0.000 0.233 348 S C 2.101 176.560 174.600 -0.235 0.000 1.016 348 S CA 1.427 59.507 58.200 -0.200 0.000 0.974 348 S CB -0.487 62.766 63.200 0.088 0.000 0.786 348 S HN 0.406 8.716 8.310 -0.000 0.000 0.492 349 S N 1.796 117.333 115.700 -0.272 0.000 2.368 349 S HA 0.081 4.554 4.470 0.005 0.000 0.224 349 S C 2.164 176.449 174.600 -0.526 0.000 1.029 349 S CA 1.076 58.971 58.200 -0.509 0.000 0.988 349 S CB -0.905 62.121 63.200 -0.290 0.000 0.838 349 S HN 0.782 9.092 8.310 -0.000 0.000 0.462 350 A N 2.032 124.538 122.820 -0.524 0.000 1.883 350 A HA -0.065 4.258 4.320 0.005 0.000 0.217 350 A C 2.250 179.553 177.584 -0.468 0.000 1.186 350 A CA 1.788 53.429 52.037 -0.661 0.000 0.624 350 A CB -0.612 18.179 19.000 -0.349 0.000 0.822 350 A HN 0.545 8.695 8.150 -0.000 0.000 0.444 351 M N -0.641 118.633 119.600 -0.543 0.000 2.175 351 M HA -0.102 4.381 4.480 0.005 0.000 0.264 351 M C 1.990 177.924 176.300 -0.610 0.000 1.063 351 M CA 1.681 56.480 55.300 -0.836 0.000 1.119 351 M CB -1.445 30.057 32.600 -1.829 0.000 1.377 351 M HN 0.724 9.014 8.290 -0.000 0.000 0.415 352 E N -0.203 119.783 120.200 -0.357 0.000 2.058 352 E HA -0.272 4.081 4.350 0.005 0.000 0.194 352 E C 2.104 178.680 176.600 -0.040 0.000 0.997 352 E CA 1.552 57.911 56.400 -0.070 0.000 0.801 352 E CB -0.318 29.357 29.700 -0.042 0.000 0.746 352 E HN 0.481 8.841 8.360 -0.000 0.000 0.450 353 Y N 1.240 121.396 120.300 -0.241 0.000 2.097 353 Y HA -0.235 4.318 4.550 0.006 0.000 0.282 353 Y C 2.050 177.907 175.900 -0.071 0.000 1.152 353 Y CA 2.015 60.024 58.100 -0.151 0.000 1.136 353 Y CB -0.348 37.953 38.460 -0.265 0.000 0.975 353 Y HN 0.040 8.320 8.280 -0.000 0.000 0.498 354 L N 0.253 121.457 121.223 -0.032 0.000 2.043 354 L HA -0.262 4.081 4.340 0.005 0.000 0.212 354 L C 2.587 179.430 176.870 -0.045 0.000 1.075 354 L CA 2.060 56.899 54.840 -0.002 0.000 0.752 354 L CB -0.742 41.358 42.059 0.069 0.000 0.891 354 L HN 0.374 8.604 8.230 -0.000 0.000 0.432 355 E N 0.783 120.964 120.200 -0.032 0.000 2.077 355 E HA -0.288 4.066 4.350 0.005 0.000 0.193 355 E C 2.262 178.830 176.600 -0.053 0.000 0.989 355 E CA 1.386 57.805 56.400 0.033 0.000 0.800 355 E CB 0.039 29.830 29.700 0.152 0.000 0.746 355 E HN 0.314 8.674 8.360 -0.000 0.000 0.452 356 K N 0.478 120.821 120.400 -0.094 0.000 2.148 356 K HA -0.114 4.210 4.320 0.005 0.000 0.204 356 K C 1.528 177.993 176.600 -0.225 0.000 1.050 356 K CA 1.160 57.375 56.287 -0.120 0.000 0.942 356 K CB 0.131 32.575 32.500 -0.092 0.000 0.724 356 K HN -0.014 8.236 8.250 -0.000 0.000 0.446 357 K N 0.582 120.768 120.400 -0.356 0.000 2.458 357 K HA 0.065 4.389 4.320 0.005 0.000 0.194 357 K C -0.199 176.028 176.600 -0.621 0.000 1.024 357 K CA 0.082 56.069 56.287 -0.500 0.000 1.108 357 K CB 0.185 32.317 32.500 -0.613 0.000 0.846 357 K HN 0.217 8.466 8.250 -0.000 0.000 0.518 358 N N 0.286 118.765 118.700 -0.370 0.000 2.741 358 N HA -0.189 4.554 4.740 0.005 0.000 0.250 358 N C -0.649 174.679 175.510 -0.304 0.000 1.115 358 N CA 1.054 53.932 53.050 -0.287 0.000 0.724 358 N CB -1.711 36.618 38.487 -0.263 0.000 1.090 358 N HN 0.169 8.549 8.380 -0.000 0.000 0.558 359 F N 0.136 120.052 119.950 -0.057 0.000 2.380 359 F HA 0.604 5.134 4.527 0.006 0.000 0.321 359 F C 1.018 176.825 175.800 0.012 0.000 1.103 359 F CA -0.889 57.087 58.000 -0.039 0.000 1.067 359 F CB 0.874 39.832 39.000 -0.070 0.000 1.265 359 F HN -0.216 8.084 8.300 -0.000 0.000 0.517 360 I N 0.865 121.591 120.570 0.261 0.000 2.545 360 I HA 0.170 4.343 4.170 0.005 0.000 0.292 360 I C 0.663 176.888 176.117 0.180 0.000 1.040 360 I CA -0.424 61.006 61.300 0.216 0.000 1.068 360 I CB 1.537 39.656 38.000 0.198 0.000 1.251 360 I HN 0.599 8.809 8.210 -0.000 0.000 0.424 361 H N 5.663 124.807 119.070 0.123 0.000 2.294 361 H HA 0.125 4.684 4.556 0.005 0.000 0.306 361 H C 0.830 176.202 175.328 0.074 0.000 1.065 361 H CA 2.125 58.212 56.048 0.065 0.000 1.343 361 H CB 0.487 30.282 29.762 0.055 0.000 1.396 361 H HN 0.615 8.895 8.280 -0.000 0.000 0.506 362 R N -1.045 119.689 120.500 0.391 0.000 3.405 362 R HA -0.156 4.188 4.340 0.005 0.000 0.458 362 R C -0.438 176.096 176.300 0.389 0.000 0.589 362 R CA 1.272 57.562 56.100 0.318 0.000 1.480 362 R CB -1.428 28.897 30.300 0.042 0.000 2.107 362 R HN 0.338 8.608 8.270 -0.000 0.000 0.379 363 D N 0.431 121.162 120.400 0.552 0.000 2.997 363 D HA 0.168 4.811 4.640 0.005 0.000 0.362 363 D C -1.215 175.145 176.300 0.099 0.000 1.298 363 D CA -0.403 53.806 54.000 0.348 0.000 0.756 363 D CB 0.371 41.353 40.800 0.305 0.000 1.216 363 D HN 0.032 8.402 8.370 -0.000 0.000 0.496 364 L N 1.562 122.747 121.223 -0.063 0.000 2.367 364 L HA 0.713 5.056 4.340 0.005 0.000 0.275 364 L C -0.449 176.406 176.870 -0.025 0.000 1.129 364 L CA 0.298 54.965 54.840 -0.287 0.000 0.839 364 L CB 0.658 42.648 42.059 -0.116 0.000 1.133 364 L HN 0.260 8.490 8.230 -0.000 0.000 0.453 365 A N 3.684 126.456 122.820 -0.080 0.000 2.549 365 A HA 0.640 4.963 4.320 0.005 0.000 0.291 365 A C 0.293 177.884 177.584 0.011 0.000 1.034 365 A CA -0.133 51.880 52.037 -0.041 0.000 0.655 365 A CB -0.070 18.559 19.000 -0.618 0.000 1.299 365 A HN 1.066 9.216 8.150 -0.000 0.000 0.427 366 A N 0.548 123.441 122.820 0.122 0.000 1.972 366 A HA -0.090 4.233 4.320 0.005 0.000 0.219 366 A C 1.897 179.549 177.584 0.113 0.000 1.169 366 A CA 1.902 54.010 52.037 0.118 0.000 0.635 366 A CB -0.636 18.468 19.000 0.173 0.000 0.810 366 A HN 1.192 9.342 8.150 -0.000 0.000 0.446 367 R N -0.825 119.727 120.500 0.087 0.000 2.249 367 R HA -0.055 4.288 4.340 0.005 0.000 0.230 367 R C 0.393 176.857 176.300 0.274 0.000 1.121 367 R CA 1.572 57.765 56.100 0.156 0.000 0.997 367 R CB -0.441 29.913 30.300 0.089 0.000 0.867 367 R HN 0.308 8.578 8.270 -0.000 0.000 0.465 368 N N -0.021 118.734 118.700 0.092 0.000 2.238 368 N HA 0.139 4.882 4.740 0.005 0.000 0.222 368 N C -1.018 174.362 175.510 -0.217 0.000 1.133 368 N CA -0.119 52.848 53.050 -0.139 0.000 0.854 368 N CB 0.604 38.995 38.487 -0.160 0.000 1.041 368 N HN 0.158 8.538 8.380 -0.000 0.000 0.510 369 C N 0.580 119.884 119.300 0.007 0.000 2.529 369 C HA 0.620 5.083 4.460 0.005 0.000 0.329 369 C C 0.230 175.286 174.990 0.111 0.000 1.194 369 C CA -0.879 58.140 59.018 0.002 0.000 1.779 369 C CB 1.302 29.039 27.740 -0.004 0.000 2.322 369 C HN 0.153 8.383 8.230 -0.000 0.000 0.500 370 L N 1.762 123.019 121.223 0.057 0.000 2.333 370 L HA 0.807 5.151 4.340 0.005 0.000 0.269 370 L C -0.801 176.049 176.870 -0.033 0.000 1.010 370 L CA -0.623 54.248 54.840 0.052 0.000 0.818 370 L CB 1.764 43.847 42.059 0.041 0.000 1.306 370 L HN 0.345 8.575 8.230 -0.000 0.000 0.430 371 V N 0.848 120.727 119.914 -0.059 0.000 2.540 371 V HA 0.725 4.848 4.120 0.005 0.000 0.302 371 V C 0.379 176.455 176.094 -0.029 0.000 1.035 371 V CA -0.375 61.843 62.300 -0.137 0.000 0.873 371 V CB 1.454 33.029 31.823 -0.412 0.000 0.992 371 V HN 0.914 9.104 8.190 -0.000 0.000 0.428 372 G N 2.471 111.267 108.800 -0.006 0.000 2.971 372 G HA2 0.594 4.557 3.960 0.005 0.000 0.235 372 G HA3 0.594 4.557 3.960 0.005 0.000 0.235 372 G C -0.616 174.397 174.900 0.190 0.000 1.351 372 G CA -0.531 44.622 45.100 0.089 0.000 1.039 372 G HN 0.588 8.878 8.290 -0.000 0.000 0.563 373 E N 0.345 120.647 120.200 0.169 0.000 2.418 373 E HA 0.124 4.477 4.350 0.005 0.000 0.261 373 E C 0.365 176.977 176.600 0.020 0.000 1.070 373 E CA 0.328 56.820 56.400 0.153 0.000 0.931 373 E CB 0.196 29.962 29.700 0.109 0.000 0.954 373 E HN 0.432 8.792 8.360 -0.000 0.000 0.439 374 N N 2.667 121.312 118.700 -0.091 0.000 2.725 374 N HA -0.276 4.467 4.740 0.005 0.000 0.249 374 N C -0.832 174.646 175.510 -0.054 0.000 1.103 374 N CA 1.304 54.275 53.050 -0.131 0.000 0.707 374 N CB -1.879 36.627 38.487 0.030 0.000 1.043 374 N HN 0.773 9.153 8.380 -0.000 0.000 0.553 375 H N -3.490 115.612 119.070 0.053 0.000 2.861 375 H HA -0.199 4.360 4.556 0.005 0.000 0.289 375 H C 0.587 175.867 175.328 -0.079 0.000 1.176 375 H CA 0.720 56.764 56.048 -0.007 0.000 1.146 375 H CB -1.240 28.607 29.762 0.141 0.000 1.330 375 H HN 0.372 8.652 8.280 -0.000 0.000 0.379 376 L N 1.107 122.339 121.223 0.014 0.000 2.499 376 L HA 0.262 4.606 4.340 0.005 0.000 0.273 376 L C -0.072 176.713 176.870 -0.142 0.000 1.195 376 L CA 0.256 55.054 54.840 -0.070 0.000 0.882 376 L CB 0.634 42.689 42.059 -0.007 0.000 1.133 376 L HN 0.122 8.352 8.230 -0.000 0.000 0.483 377 V N 5.706 125.495 119.914 -0.208 0.000 2.656 377 V HA 0.562 4.685 4.120 0.005 0.000 0.307 377 V C -0.231 175.788 176.094 -0.126 0.000 1.051 377 V CA -0.905 61.293 62.300 -0.171 0.000 0.893 377 V CB 1.856 33.553 31.823 -0.210 0.000 0.999 377 V HN 0.758 8.948 8.190 -0.000 0.000 0.426 378 K N 2.694 123.042 120.400 -0.088 0.000 2.375 378 K HA 0.709 5.033 4.320 0.005 0.000 0.249 378 K C -1.330 175.223 176.600 -0.077 0.000 0.942 378 K CA -0.845 55.399 56.287 -0.072 0.000 0.806 378 K CB 2.846 35.313 32.500 -0.054 0.000 1.227 378 K HN 0.390 8.640 8.250 -0.000 0.000 0.430 379 V N 2.010 121.873 119.914 -0.086 0.000 2.546 379 V HA 0.519 4.642 4.120 0.005 0.000 0.284 379 V C 0.032 176.053 176.094 -0.123 0.000 1.050 379 V CA -0.074 62.168 62.300 -0.096 0.000 0.981 379 V CB 1.098 32.873 31.823 -0.081 0.000 0.990 379 V HN 0.976 9.166 8.190 -0.000 0.000 0.474 380 A N 3.575 126.265 122.820 -0.216 0.000 2.524 380 A HA 0.833 5.157 4.320 0.005 0.000 0.286 380 A C -1.346 176.002 177.584 -0.393 0.000 1.203 380 A CA -0.500 51.307 52.037 -0.383 0.000 0.736 380 A CB 1.955 20.530 19.000 -0.710 0.000 1.322 380 A HN 0.666 8.816 8.150 -0.000 0.000 0.424 381 D N -0.567 119.528 120.400 -0.509 0.000 2.386 381 D HA 0.429 5.072 4.640 0.005 0.000 0.247 381 D C -0.819 175.327 176.300 -0.258 0.000 1.336 381 D CA -0.295 53.486 54.000 -0.364 0.000 0.976 381 D CB 0.248 40.811 40.800 -0.396 0.000 1.257 381 D HN 0.301 8.671 8.370 -0.000 0.000 0.570 382 F N 1.677 121.643 119.950 0.027 0.000 2.797 382 F HA 0.228 4.759 4.527 0.006 0.000 0.302 382 F C 2.007 177.816 175.800 0.015 0.000 1.130 382 F CA -0.075 57.946 58.000 0.035 0.000 1.387 382 F CB 0.530 39.623 39.000 0.154 0.000 1.107 382 F HN 0.611 8.911 8.300 -0.000 0.000 0.577 383 G N 1.658 110.520 108.800 0.103 0.000 2.338 383 G HA2 -0.301 3.662 3.960 0.005 0.000 0.296 383 G HA3 -0.301 3.662 3.960 0.005 0.000 0.296 383 G C 0.702 175.586 174.900 -0.027 0.000 1.040 383 G CA 0.146 45.253 45.100 0.012 0.000 1.004 383 G HN 0.487 8.777 8.290 -0.000 0.000 0.509 384 L N -0.054 121.152 121.223 -0.028 0.000 2.376 384 L HA -0.054 4.290 4.340 0.005 0.000 0.219 384 L C 2.848 179.351 176.870 -0.610 0.000 1.133 384 L CA 1.024 55.777 54.840 -0.145 0.000 0.816 384 L CB -0.435 41.664 42.059 0.067 0.000 0.933 384 L HN 0.394 8.624 8.230 -0.000 0.000 0.449 385 S N 0.510 115.716 115.700 -0.825 0.000 2.390 385 S HA -0.258 4.215 4.470 0.005 0.000 0.234 385 S C 1.826 176.049 174.600 -0.627 0.000 1.063 385 S CA 1.647 59.212 58.200 -1.057 0.000 1.108 385 S CB -0.262 62.648 63.200 -0.483 0.000 0.975 385 S HN 0.487 8.797 8.310 -0.000 0.000 0.442 386 R N -0.094 120.192 120.500 -0.356 0.000 2.432 386 R HA 0.363 4.706 4.340 0.005 0.000 0.260 386 R C 1.253 177.468 176.300 -0.142 0.000 0.935 386 R CA -0.050 55.930 56.100 -0.201 0.000 1.080 386 R CB 0.099 30.314 30.300 -0.142 0.000 1.155 386 R HN 0.365 8.635 8.270 -0.000 0.000 0.531 387 L N -0.220 120.907 121.223 -0.161 0.000 2.276 387 L HA 0.199 4.542 4.340 0.005 0.000 0.194 387 L C 1.426 178.251 176.870 -0.076 0.000 1.099 387 L CA 0.282 55.063 54.840 -0.099 0.000 0.800 387 L CB -0.276 41.735 42.059 -0.079 0.000 0.994 387 L HN 0.068 8.298 8.230 -0.000 0.000 0.475 391 D N 0.399 120.859 120.400 0.100 0.000 2.340 391 D HA 0.177 4.821 4.640 0.005 0.000 0.220 391 D C 2.240 178.614 176.300 0.124 0.000 1.039 391 D CA 0.784 54.848 54.000 0.106 0.000 0.866 391 D CB 0.284 41.139 40.800 0.092 0.000 0.913 391 D HN 0.234 8.604 8.370 -0.000 0.000 0.523 392 T N -0.150 114.478 114.554 0.124 0.000 2.674 392 T HA -0.149 4.204 4.350 0.005 0.000 0.265 392 T C 0.414 175.054 174.700 -0.100 0.000 1.039 392 T CA 1.161 63.281 62.100 0.034 0.000 1.150 392 T CB -0.106 68.734 68.868 -0.047 0.000 0.864 392 T HN 0.119 8.359 8.240 -0.000 0.000 0.427 393 Y N 1.583 121.930 120.300 0.078 0.000 2.342 393 Y HA 0.482 5.035 4.550 0.005 0.000 0.334 393 Y C 0.608 176.551 175.900 0.072 0.000 1.067 393 Y CA -1.151 56.992 58.100 0.073 0.000 1.128 393 Y CB 1.224 39.691 38.460 0.012 0.000 1.200 393 Y HN 0.012 8.292 8.280 -0.000 0.000 0.464 394 T N -0.666 114.030 114.554 0.236 0.000 2.893 394 T HA 0.824 5.177 4.350 0.005 0.000 0.291 394 T C -0.214 174.590 174.700 0.173 0.000 1.028 394 T CA -1.168 61.036 62.100 0.173 0.000 0.995 394 T CB 1.555 70.505 68.868 0.137 0.000 1.051 394 T HN 0.832 9.072 8.240 -0.000 0.000 0.470 395 A N 1.938 124.832 122.820 0.124 0.000 2.520 395 A HA 0.404 4.727 4.320 0.005 0.000 0.235 395 A C 0.183 177.900 177.584 0.222 0.000 1.065 395 A CA -0.092 52.009 52.037 0.107 0.000 0.764 395 A CB -0.267 18.767 19.000 0.056 0.000 1.002 395 A HN 1.129 9.279 8.150 -0.000 0.000 0.502 396 H N 1.190 120.335 119.070 0.125 0.000 3.240 396 H HA 0.406 4.965 4.556 0.005 0.000 0.329 396 H C -0.068 175.363 175.328 0.173 0.000 1.024 396 H CA 0.020 56.193 56.048 0.207 0.000 1.487 396 H CB 0.760 30.788 29.762 0.443 0.000 1.909 396 H HN 1.701 9.981 8.280 -0.000 0.000 0.465 397 A N 3.137 125.709 122.820 -0.413 0.000 1.804 397 A HA -0.146 4.177 4.320 0.005 0.000 0.242 397 A C 1.734 179.221 177.584 -0.162 0.000 1.229 397 A CA 1.887 53.732 52.037 -0.319 0.000 0.751 397 A CB -1.928 16.800 19.000 -0.453 0.000 1.169 397 A HN 2.009 10.159 8.150 -0.000 0.000 0.290 398 G N -1.214 107.529 108.800 -0.095 0.000 2.189 398 G HA2 0.146 4.110 3.960 0.005 0.000 0.267 398 G HA3 0.146 4.110 3.960 0.005 0.000 0.267 398 G C 0.638 175.483 174.900 -0.092 0.000 0.975 398 G CA 1.430 46.487 45.100 -0.072 0.000 0.644 398 G HN 2.665 10.955 8.290 -0.000 0.000 0.537 399 A N -0.651 122.102 122.820 -0.112 0.000 2.413 399 A HA 0.832 5.155 4.320 0.005 0.000 0.307 399 A C -0.189 177.167 177.584 -0.380 0.000 1.087 399 A CA -0.562 51.306 52.037 -0.281 0.000 0.750 399 A CB 1.339 20.136 19.000 -0.338 0.000 1.296 399 A HN 0.241 8.391 8.150 -0.000 0.000 0.423 400 K N 0.794 120.865 120.400 -0.548 0.000 2.292 400 K HA 0.622 4.945 4.320 0.005 0.000 0.257 400 K C -1.840 174.492 176.600 -0.446 0.000 0.940 400 K CA 0.006 56.110 56.287 -0.306 0.000 0.811 400 K CB 1.612 34.027 32.500 -0.142 0.000 1.120 400 K HN 0.583 8.833 8.250 -0.000 0.000 0.428 401 F N 2.890 123.024 119.950 0.307 0.000 2.563 401 F HA 0.332 4.862 4.527 0.005 0.000 0.316 401 F C -2.000 173.946 175.800 0.243 0.000 1.076 401 F CA -2.342 55.846 58.000 0.313 0.000 0.921 401 F CB 2.193 41.342 39.000 0.248 0.000 1.209 401 F HN 0.315 8.615 8.300 -0.000 0.000 0.462 402 P HA 0.155 4.575 4.420 -0.000 0.000 0.262 402 P C 0.701 178.175 177.300 0.289 0.000 1.620 402 P CA -0.169 62.952 63.100 0.035 0.000 1.089 402 P CB 0.274 31.751 31.700 -0.372 0.000 1.601 403 I N 2.488 123.193 120.570 0.225 0.000 2.248 403 I HA -0.234 3.939 4.170 0.005 0.000 0.248 403 I C 1.743 177.922 176.117 0.103 0.000 1.107 403 I CA 1.696 63.077 61.300 0.136 0.000 1.373 403 I CB -1.139 36.897 38.000 0.059 0.000 1.055 403 I HN 0.313 8.523 8.210 -0.000 0.000 0.418 404 K N -1.250 119.247 120.400 0.162 0.000 2.486 404 K HA -0.096 4.227 4.320 0.005 0.000 0.194 404 K C 1.513 178.112 176.600 -0.001 0.000 1.033 404 K CA 0.479 56.747 56.287 -0.032 0.000 1.004 404 K CB 0.050 32.463 32.500 -0.145 0.000 0.798 404 K HN 0.413 8.663 8.250 -0.000 0.000 0.495 405 W N 1.076 122.469 121.300 0.155 0.000 3.005 405 W HA 0.144 4.807 4.660 0.005 0.000 0.374 405 W C -0.257 176.428 176.519 0.277 0.000 1.076 405 W CA -0.242 57.258 57.345 0.258 0.000 1.794 405 W CB 0.773 30.350 29.460 0.196 0.000 1.113 405 W HN -0.211 7.969 8.180 -0.000 0.000 0.584 406 T N 1.420 116.139 114.554 0.275 0.000 2.767 406 T HA 0.502 4.855 4.350 0.005 0.000 0.284 406 T C 0.407 174.845 174.700 -0.436 0.000 0.973 406 T CA -0.275 61.845 62.100 0.032 0.000 0.996 406 T CB 1.894 70.775 68.868 0.022 0.000 0.927 406 T HN -0.011 8.229 8.240 -0.000 0.000 0.456 407 A N 5.362 127.786 122.820 -0.661 0.000 2.466 407 A HA 0.356 4.679 4.320 0.005 0.000 0.238 407 A C -1.212 175.767 177.584 -1.009 0.000 1.074 407 A CA -1.030 50.236 52.037 -1.284 0.000 0.774 407 A CB -0.110 18.484 19.000 -0.677 0.000 1.015 407 A HN 0.505 8.655 8.150 -0.000 0.000 0.498 408 P HA -0.171 4.249 4.420 -0.000 0.000 0.217 408 P C 1.324 178.296 177.300 -0.548 0.000 1.150 408 P CA 1.570 64.184 63.100 -0.810 0.000 0.832 408 P CB 0.111 30.930 31.700 -1.469 0.000 0.787 409 E N -0.418 119.434 120.200 -0.581 0.000 2.274 409 E HA -0.068 4.285 4.350 0.005 0.000 0.194 409 E C 1.438 177.804 176.600 -0.390 0.000 0.996 409 E CA 1.200 57.416 56.400 -0.307 0.000 0.840 409 E CB -0.998 28.588 29.700 -0.191 0.000 0.772 409 E HN 0.162 8.522 8.360 -0.000 0.000 0.491 410 S N 1.332 116.662 115.700 -0.617 0.000 2.377 410 S HA 0.058 4.531 4.470 0.005 0.000 0.223 410 S C 2.170 176.336 174.600 -0.724 0.000 1.030 410 S CA 0.683 58.332 58.200 -0.918 0.000 0.970 410 S CB -0.275 62.118 63.200 -1.345 0.000 0.830 410 S HN 0.183 8.493 8.310 -0.000 0.000 0.473 411 L N 1.128 122.000 121.223 -0.584 0.000 2.042 411 L HA -0.154 4.189 4.340 0.005 0.000 0.210 411 L C 2.694 179.196 176.870 -0.613 0.000 1.076 411 L CA 1.458 55.989 54.840 -0.515 0.000 0.749 411 L CB -0.573 41.293 42.059 -0.321 0.000 0.893 411 L HN 0.357 8.587 8.230 -0.000 0.000 0.432 412 A N -1.648 120.765 122.820 -0.679 0.000 1.997 412 A HA -0.031 4.293 4.320 0.005 0.000 0.212 412 A C 1.423 178.460 177.584 -0.912 0.000 1.178 412 A CA 0.721 52.183 52.037 -0.958 0.000 0.698 412 A CB -0.165 18.076 19.000 -1.266 0.000 0.842 412 A HN 0.470 8.620 8.150 -0.000 0.000 0.458 413 Y N -0.881 119.266 120.300 -0.254 0.000 2.626 413 Y HA 0.202 4.755 4.550 0.005 0.000 0.248 413 Y C 0.420 176.230 175.900 -0.149 0.000 1.147 413 Y CA -0.472 57.528 58.100 -0.167 0.000 1.219 413 Y CB 0.467 38.844 38.460 -0.138 0.000 1.279 413 Y HN 0.283 8.563 8.280 -0.000 0.000 0.541 414 N N 0.930 119.539 118.700 -0.153 0.000 2.708 414 N HA -0.222 4.521 4.740 0.005 0.000 0.249 414 N C -0.660 174.848 175.510 -0.003 0.000 1.097 414 N CA 0.868 53.878 53.050 -0.066 0.000 0.710 414 N CB -1.099 37.459 38.487 0.118 0.000 1.032 414 N HN 0.446 8.826 8.380 -0.000 0.000 0.551 415 K N 0.209 120.512 120.400 -0.161 0.000 2.262 415 K HA 0.368 4.692 4.320 0.005 0.000 0.282 415 K C -0.313 176.119 176.600 -0.282 0.000 1.066 415 K CA -0.040 56.192 56.287 -0.091 0.000 0.901 415 K CB 0.457 32.918 32.500 -0.064 0.000 1.089 415 K HN -0.016 8.234 8.250 -0.000 0.000 0.476 416 F N 1.070 121.019 119.950 -0.001 0.000 2.508 416 F HA 0.422 4.952 4.527 0.005 0.000 0.325 416 F C 0.569 176.398 175.800 0.048 0.000 1.090 416 F CA -0.331 57.684 58.000 0.025 0.000 0.945 416 F CB 2.015 41.047 39.000 0.054 0.000 1.156 416 F HN 0.539 8.838 8.300 -0.000 0.000 0.463 417 S N 1.684 117.521 115.700 0.228 0.000 2.672 417 S HA 0.370 4.844 4.470 0.005 0.000 0.271 417 S C 0.181 174.903 174.600 0.202 0.000 1.171 417 S CA -0.759 57.543 58.200 0.170 0.000 0.817 417 S CB 0.933 64.188 63.200 0.091 0.000 1.150 417 S HN 0.505 8.815 8.310 -0.000 0.000 0.478 418 I N 1.550 122.229 120.570 0.183 0.000 2.248 418 I HA -0.108 4.065 4.170 0.005 0.000 0.248 418 I C 2.017 178.252 176.117 0.197 0.000 1.107 418 I CA 1.744 63.186 61.300 0.237 0.000 1.373 418 I CB -0.384 37.744 38.000 0.214 0.000 1.055 418 I HN 0.627 8.837 8.210 -0.000 0.000 0.418 419 K N 0.240 120.703 120.400 0.104 0.000 2.211 419 K HA -0.028 4.295 4.320 0.005 0.000 0.203 419 K C 2.266 178.944 176.600 0.131 0.000 1.050 419 K CA 1.378 57.700 56.287 0.060 0.000 0.945 419 K CB -0.789 31.728 32.500 0.027 0.000 0.732 419 K HN 0.578 8.828 8.250 -0.000 0.000 0.451 420 S N 0.991 116.777 115.700 0.143 0.000 2.428 420 S HA -0.092 4.381 4.470 0.005 0.000 0.230 420 S C 1.428 176.227 174.600 0.333 0.000 1.014 420 S CA 0.850 59.151 58.200 0.169 0.000 0.957 420 S CB -0.070 63.133 63.200 0.004 0.000 0.784 420 S HN 0.112 8.422 8.310 -0.000 0.000 0.499 421 D N 1.819 122.443 120.400 0.374 0.000 2.144 421 D HA -0.020 4.624 4.640 0.005 0.000 0.200 421 D C 2.115 178.750 176.300 0.559 0.000 0.978 421 D CA 0.881 55.180 54.000 0.497 0.000 0.833 421 D CB -0.559 40.585 40.800 0.574 0.000 0.961 421 D HN 0.311 8.681 8.370 -0.000 0.000 0.470 422 V N 1.017 121.087 119.914 0.260 0.000 2.287 422 V HA -0.226 3.898 4.120 0.005 0.000 0.248 422 V C 2.202 178.450 176.094 0.257 0.000 1.053 422 V CA 1.438 63.700 62.300 -0.064 0.000 1.027 422 V CB -0.499 31.097 31.823 -0.378 0.000 0.646 422 V HN 0.394 8.584 8.190 -0.000 0.000 0.447 423 W N 1.117 122.518 121.300 0.167 0.000 2.317 423 W HA -0.290 4.373 4.660 0.005 0.000 0.318 423 W C 2.509 179.264 176.519 0.394 0.000 1.227 423 W CA 2.720 60.236 57.345 0.284 0.000 1.269 423 W CB -0.597 28.977 29.460 0.190 0.000 1.155 423 W HN 0.301 8.481 8.180 -0.000 0.000 0.484 424 A N -0.113 123.129 122.820 0.704 0.000 1.972 424 A HA -0.229 4.094 4.320 0.005 0.000 0.219 424 A C 1.890 179.790 177.584 0.526 0.000 1.169 424 A CA 1.582 54.008 52.037 0.647 0.000 0.635 424 A CB -1.511 17.841 19.000 0.587 0.000 0.810 424 A HN 0.391 8.541 8.150 -0.000 0.000 0.446 425 F N 1.220 121.392 119.950 0.369 0.000 2.134 425 F HA -0.006 4.524 4.527 0.005 0.000 0.299 425 F C 2.260 178.176 175.800 0.194 0.000 1.097 425 F CA 1.349 59.535 58.000 0.310 0.000 1.264 425 F CB -0.703 38.560 39.000 0.440 0.000 1.001 425 F HN 0.200 8.500 8.300 -0.000 0.000 0.479 426 G N 0.128 108.965 108.800 0.062 0.000 2.440 426 G HA2 -0.245 3.718 3.960 0.005 0.000 0.218 426 G HA3 -0.245 3.718 3.960 0.005 0.000 0.218 426 G C 1.720 176.658 174.900 0.063 0.000 1.154 426 G CA 1.382 46.295 45.100 -0.312 0.000 0.767 426 G HN 0.347 8.637 8.290 -0.000 0.000 0.552 427 V N 0.857 120.996 119.914 0.375 0.000 2.358 427 V HA -0.120 4.003 4.120 0.005 0.000 0.246 427 V C 2.652 178.872 176.094 0.210 0.000 1.047 427 V CA 1.538 63.985 62.300 0.244 0.000 1.035 427 V CB -0.516 31.256 31.823 -0.085 0.000 0.658 427 V HN 0.365 8.555 8.190 -0.000 0.000 0.452 428 L N -0.217 121.126 121.223 0.200 0.000 2.083 428 L HA -0.132 4.211 4.340 0.005 0.000 0.209 428 L C 2.171 179.003 176.870 -0.063 0.000 1.083 428 L CA 1.795 56.718 54.840 0.137 0.000 0.752 428 L CB -0.677 41.421 42.059 0.065 0.000 0.899 428 L HN 0.193 8.423 8.230 -0.000 0.000 0.433 429 L N -1.984 119.069 121.223 -0.284 0.000 2.046 429 L HA -0.259 4.085 4.340 0.005 0.000 0.208 429 L C 2.428 179.270 176.870 -0.047 0.000 1.077 429 L CA 1.835 56.514 54.840 -0.268 0.000 0.747 429 L CB -0.626 41.237 42.059 -0.327 0.000 0.896 429 L HN 0.518 8.748 8.230 -0.000 0.000 0.432 430 W N 1.264 122.509 121.300 -0.091 0.000 2.338 430 W HA -0.220 4.444 4.660 0.006 0.000 0.304 430 W C 2.438 178.938 176.519 -0.031 0.000 1.212 430 W CA 1.717 59.055 57.345 -0.012 0.000 1.264 430 W CB 0.047 29.565 29.460 0.097 0.000 1.142 430 W HN 0.117 8.297 8.180 -0.000 0.000 0.512 431 E N -0.024 120.360 120.200 0.306 0.000 2.077 431 E HA -0.260 4.093 4.350 0.005 0.000 0.193 431 E C 2.072 178.662 176.600 -0.017 0.000 0.989 431 E CA 1.819 58.344 56.400 0.208 0.000 0.800 431 E CB -0.499 29.377 29.700 0.293 0.000 0.746 431 E HN 0.377 8.737 8.360 -0.000 0.000 0.452 432 I N 1.112 121.636 120.570 -0.077 0.000 2.179 432 I HA -0.255 3.918 4.170 0.005 0.000 0.242 432 I C 2.529 178.440 176.117 -0.343 0.000 1.088 432 I CA 1.009 62.196 61.300 -0.188 0.000 1.357 432 I CB -0.281 37.605 38.000 -0.190 0.000 1.051 432 I HN 0.067 8.277 8.210 -0.000 0.000 0.409 433 A N 0.266 122.891 122.820 -0.325 0.000 2.070 433 A HA -0.181 4.143 4.320 0.005 0.000 0.220 433 A C 2.129 179.444 177.584 -0.449 0.000 1.159 433 A CA 2.079 53.884 52.037 -0.386 0.000 0.656 433 A CB -0.968 17.840 19.000 -0.320 0.000 0.800 433 A HN 0.541 8.691 8.150 -0.000 0.000 0.453 434 T N -6.258 108.009 114.554 -0.478 0.000 3.145 434 T HA 0.269 4.623 4.350 0.005 0.000 0.255 434 T C 0.172 174.832 174.700 -0.066 0.000 1.039 434 T CA -0.051 61.827 62.100 -0.370 0.000 0.928 434 T CB -0.797 67.671 68.868 -0.667 0.000 1.029 434 T HN 0.480 8.720 8.240 -0.000 0.000 0.554 435 Y N 1.211 121.427 120.300 -0.141 0.000 3.168 435 Y HA -0.120 4.434 4.550 0.006 0.000 0.207 435 Y C 1.428 177.308 175.900 -0.032 0.000 1.280 435 Y CA 0.896 58.950 58.100 -0.077 0.000 1.235 435 Y CB -2.090 36.320 38.460 -0.084 0.000 1.370 435 Y HN 0.740 9.020 8.280 -0.000 0.000 0.537 436 G N -1.064 107.779 108.800 0.071 0.000 2.130 436 G HA2 -0.294 3.669 3.960 0.005 0.000 0.216 436 G HA3 -0.294 3.669 3.960 0.005 0.000 0.216 436 G C 0.217 175.211 174.900 0.157 0.000 0.999 436 G CA -0.077 45.102 45.100 0.132 0.000 0.686 436 G HN 0.410 8.700 8.290 -0.000 0.000 0.515 437 M N 1.070 120.743 119.600 0.123 0.000 2.240 437 M HA 0.354 4.837 4.480 0.005 0.000 0.333 437 M C 0.993 177.509 176.300 0.361 0.000 1.110 437 M CA 0.102 55.521 55.300 0.199 0.000 1.173 437 M CB 0.657 33.337 32.600 0.133 0.000 1.458 437 M HN 0.150 8.440 8.290 -0.000 0.000 0.458 438 S N 3.096 118.983 115.700 0.312 0.000 2.549 438 S HA 0.235 4.708 4.470 0.005 0.000 0.279 438 S C -2.078 172.643 174.600 0.201 0.000 1.321 438 S CA -1.040 57.327 58.200 0.278 0.000 1.054 438 S CB -0.115 63.210 63.200 0.208 0.000 0.899 438 S HN 0.417 8.727 8.310 -0.000 0.000 0.497 439 P HA 0.119 4.539 4.420 -0.000 0.000 0.274 439 P C -0.835 176.239 177.300 -0.377 0.000 1.237 439 P CA -0.299 62.413 63.100 -0.647 0.000 0.793 439 P CB -0.026 31.161 31.700 -0.855 0.000 0.977 440 Y N -2.286 117.675 120.300 -0.565 0.000 2.981 440 Y HA -0.168 4.385 4.550 0.005 0.000 0.204 440 Y C -1.638 174.177 175.900 -0.142 0.000 1.265 440 Y CA -0.333 57.597 58.100 -0.283 0.000 0.941 440 Y CB -2.494 35.819 38.460 -0.246 0.000 1.254 440 Y HN 0.361 8.641 8.280 -0.000 0.000 0.469 441 P HA 0.202 4.622 4.420 -0.000 0.000 0.271 441 P C 1.190 178.524 177.300 0.056 0.000 1.216 441 P CA 1.286 64.427 63.100 0.068 0.000 0.771 441 P CB 1.368 33.135 31.700 0.111 0.000 0.864 442 G N 2.770 111.601 108.800 0.050 0.000 2.196 442 G HA2 -0.291 3.672 3.960 0.005 0.000 0.268 442 G HA3 -0.291 3.672 3.960 0.005 0.000 0.268 442 G C 0.249 175.155 174.900 0.010 0.000 0.975 442 G CA -0.104 45.015 45.100 0.031 0.000 0.648 442 G HN 0.529 8.819 8.290 -0.000 0.000 0.538 443 I N 2.616 123.191 120.570 0.008 0.000 2.471 443 I HA 0.167 4.340 4.170 0.005 0.000 0.286 443 I C 0.652 176.746 176.117 -0.037 0.000 1.079 443 I CA -0.465 60.816 61.300 -0.032 0.000 1.398 443 I CB 0.553 38.528 38.000 -0.043 0.000 1.403 443 I HN 0.314 8.524 8.210 -0.000 0.000 0.530 444 D N 7.181 127.554 120.400 -0.044 0.000 2.424 444 D HA -0.000 4.643 4.640 0.005 0.000 0.244 444 D C 0.943 177.213 176.300 -0.051 0.000 1.134 444 D CA -0.231 53.749 54.000 -0.033 0.000 0.881 444 D CB 1.379 42.164 40.800 -0.025 0.000 1.191 444 D HN 0.451 8.821 8.370 -0.000 0.000 0.445 445 L N 2.146 123.350 121.223 -0.032 0.000 2.127 445 L HA -0.234 4.109 4.340 0.005 0.000 0.211 445 L C 2.414 179.258 176.870 -0.043 0.000 1.089 445 L CA 1.667 56.483 54.840 -0.040 0.000 0.757 445 L CB -0.551 41.508 42.059 0.001 0.000 0.899 445 L HN 0.527 8.757 8.230 -0.000 0.000 0.434 446 S N -1.672 114.011 115.700 -0.028 0.000 2.607 446 S HA -0.086 4.387 4.470 0.005 0.000 0.224 446 S C 1.490 176.073 174.600 -0.028 0.000 0.969 446 S CA 0.297 58.483 58.200 -0.023 0.000 0.927 446 S CB -0.001 63.191 63.200 -0.014 0.000 0.772 446 S HN 0.522 8.832 8.310 -0.000 0.000 0.533 447 Q N -0.007 119.763 119.800 -0.050 0.000 2.217 447 Q HA 0.288 4.631 4.340 0.005 0.000 0.217 447 Q C 1.333 177.285 176.000 -0.082 0.000 0.844 447 Q CA -0.074 55.696 55.803 -0.055 0.000 0.957 447 Q CB 0.481 29.175 28.738 -0.074 0.000 1.127 447 Q HN 0.414 8.684 8.270 -0.000 0.000 0.503 448 V N 0.293 120.139 119.914 -0.112 0.000 2.237 448 V HA -0.316 3.807 4.120 0.005 0.000 0.245 448 V C 1.839 177.872 176.094 -0.102 0.000 1.046 448 V CA 2.132 64.311 62.300 -0.202 0.000 1.007 448 V CB -0.606 31.024 31.823 -0.321 0.000 0.638 448 V HN 0.438 8.628 8.190 -0.000 0.000 0.445 449 Y N 0.998 121.215 120.300 -0.138 0.000 2.128 449 Y HA -0.291 4.263 4.550 0.005 0.000 0.284 449 Y C 2.607 178.508 175.900 0.002 0.000 1.154 449 Y CA 2.321 60.377 58.100 -0.073 0.000 1.149 449 Y CB -0.214 38.184 38.460 -0.102 0.000 0.976 449 Y HN 0.349 8.629 8.280 -0.000 0.000 0.505 450 E N 0.053 120.323 120.200 0.116 0.000 2.070 450 E HA -0.262 4.091 4.350 0.005 0.000 0.197 450 E C 2.246 178.811 176.600 -0.059 0.000 1.004 450 E CA 1.709 58.131 56.400 0.037 0.000 0.805 450 E CB -0.384 29.335 29.700 0.031 0.000 0.744 450 E HN 0.500 8.860 8.360 -0.000 0.000 0.451 451 L N 0.586 121.775 121.223 -0.058 0.000 2.012 451 L HA -0.244 4.099 4.340 0.005 0.000 0.210 451 L C 2.489 179.383 176.870 0.040 0.000 1.073 451 L CA 1.035 55.857 54.840 -0.029 0.000 0.748 451 L CB -0.417 41.591 42.059 -0.084 0.000 0.891 451 L HN 0.212 8.442 8.230 -0.000 0.000 0.431 452 L N -0.570 120.661 121.223 0.013 0.000 2.042 452 L HA -0.247 4.097 4.340 0.005 0.000 0.210 452 L C 2.545 179.394 176.870 -0.036 0.000 1.076 452 L CA 1.415 56.317 54.840 0.104 0.000 0.749 452 L CB -0.545 41.601 42.059 0.144 0.000 0.893 452 L HN 0.344 8.574 8.230 -0.000 0.000 0.432 453 E N 0.704 120.728 120.200 -0.292 0.000 2.150 453 E HA -0.197 4.156 4.350 0.005 0.000 0.193 453 E C 1.633 177.936 176.600 -0.495 0.000 0.985 453 E CA 0.897 56.851 56.400 -0.743 0.000 0.814 453 E CB 0.202 29.571 29.700 -0.553 0.000 0.752 453 E HN 0.360 8.720 8.360 -0.000 0.000 0.466 454 K N 0.423 120.684 120.400 -0.233 0.000 2.522 454 K HA -0.017 4.306 4.320 0.005 0.000 0.194 454 K C -0.400 176.157 176.600 -0.073 0.000 1.026 454 K CA 0.521 56.725 56.287 -0.138 0.000 1.119 454 K CB 0.412 32.870 32.500 -0.071 0.000 0.856 454 K HN 0.112 8.362 8.250 -0.000 0.000 0.513 455 D N -1.030 119.324 120.400 -0.077 0.000 3.099 455 D HA -0.234 4.410 4.640 0.005 0.000 0.213 455 D C -0.574 175.758 176.300 0.053 0.000 1.121 455 D CA 0.740 54.733 54.000 -0.011 0.000 0.951 455 D CB -1.453 39.327 40.800 -0.034 0.000 1.102 455 D HN 0.326 8.696 8.370 -0.000 0.000 0.423 456 Y N 1.664 121.959 120.300 -0.007 0.000 2.425 456 Y HA 0.323 4.876 4.550 0.005 0.000 0.331 456 Y C 0.544 176.465 175.900 0.034 0.000 1.157 456 Y CA 0.404 58.513 58.100 0.015 0.000 1.372 456 Y CB 0.516 38.979 38.460 0.005 0.000 1.253 456 Y HN -0.144 8.136 8.280 -0.000 0.000 0.536 457 R N 5.586 125.599 120.500 -0.811 0.000 2.740 457 R HA 0.336 4.679 4.340 0.005 0.000 0.273 457 R C -0.872 174.890 176.300 -0.897 0.000 0.998 457 R CA -1.184 54.534 56.100 -0.636 0.000 0.900 457 R CB 1.711 31.904 30.300 -0.179 0.000 1.223 457 R HN 0.867 9.137 8.270 -0.000 0.000 0.466 458 M N 2.530 121.646 119.600 -0.807 0.000 2.250 458 M HA -0.028 4.455 4.480 0.005 0.000 0.337 458 M C 1.236 177.556 176.300 0.033 0.000 1.161 458 M CA 0.592 55.559 55.300 -0.555 0.000 1.088 458 M CB 0.270 32.222 32.600 -1.080 0.000 1.639 458 M HN 0.397 8.687 8.290 -0.000 0.000 0.447 459 E N 4.027 124.283 120.200 0.092 0.000 2.409 459 E HA 0.071 4.424 4.350 0.005 0.000 0.257 459 E C -0.477 176.179 176.600 0.094 0.000 1.150 459 E CA -0.358 56.109 56.400 0.112 0.000 0.942 459 E CB 0.414 30.147 29.700 0.054 0.000 0.979 459 E HN 0.604 8.964 8.360 -0.000 0.000 0.447 460 R N 1.870 122.035 120.500 -0.559 0.000 2.458 460 R HA 0.119 4.462 4.340 0.005 0.000 0.303 460 R C -1.938 174.189 176.300 -0.288 0.000 1.013 460 R CA -1.117 54.494 56.100 -0.815 0.000 1.026 460 R CB -0.188 29.447 30.300 -1.107 0.000 0.948 460 R HN 0.333 8.603 8.270 -0.000 0.000 0.417 461 P HA -0.084 4.336 4.420 -0.000 0.000 0.266 461 P C -1.001 176.181 177.300 -0.197 0.000 1.195 461 P CA -0.006 62.923 63.100 -0.285 0.000 0.768 461 P CB 0.546 31.959 31.700 -0.477 0.000 0.838 462 E N 2.244 122.357 120.200 -0.144 0.000 2.765 462 E HA 0.125 4.478 4.350 0.005 0.000 0.256 462 E C 1.346 177.897 176.600 -0.082 0.000 0.935 462 E CA 1.733 58.077 56.400 -0.094 0.000 0.954 462 E CB -0.829 28.834 29.700 -0.062 0.000 0.908 462 E HN 0.708 9.068 8.360 -0.000 0.000 0.500 463 G N 3.132 111.893 108.800 -0.064 0.000 2.184 463 G HA2 -0.343 3.621 3.960 0.005 0.000 0.264 463 G HA3 -0.343 3.621 3.960 0.005 0.000 0.264 463 G C 0.418 175.287 174.900 -0.050 0.000 0.975 463 G CA 0.080 45.155 45.100 -0.041 0.000 0.642 463 G HN 0.832 9.122 8.290 -0.000 0.000 0.536 464 C N 2.655 121.906 119.300 -0.082 0.000 2.499 464 C HA 0.632 5.095 4.460 0.005 0.000 0.386 464 C C -1.116 173.859 174.990 -0.025 0.000 1.293 464 C CA -1.887 57.092 59.018 -0.066 0.000 1.884 464 C CB 0.041 27.724 27.740 -0.095 0.000 2.509 464 C HN 0.379 8.609 8.230 -0.000 0.000 0.566 465 P HA 0.123 4.543 4.420 -0.000 0.000 0.269 465 P C 0.589 177.915 177.300 0.043 0.000 1.209 465 P CA 0.261 63.375 63.100 0.024 0.000 0.776 465 P CB 0.459 32.185 31.700 0.043 0.000 0.876 466 E N 1.583 121.806 120.200 0.037 0.000 2.097 466 E HA -0.246 4.107 4.350 0.005 0.000 0.196 466 E C 1.531 178.171 176.600 0.067 0.000 1.000 466 E CA 1.402 57.841 56.400 0.064 0.000 0.804 466 E CB -0.097 29.627 29.700 0.040 0.000 0.740 466 E HN 0.452 8.812 8.360 -0.000 0.000 0.454 467 K N 0.333 120.750 120.400 0.029 0.000 2.097 467 K HA -0.118 4.205 4.320 0.005 0.000 0.206 467 K C 2.210 178.794 176.600 -0.027 0.000 1.049 467 K CA 1.050 57.331 56.287 -0.011 0.000 0.933 467 K CB -0.157 32.332 32.500 -0.019 0.000 0.717 467 K HN 0.070 8.320 8.250 -0.000 0.000 0.442 468 V N 0.541 120.476 119.914 0.035 0.000 2.379 468 V HA -0.228 3.895 4.120 0.005 0.000 0.245 468 V C 2.094 178.212 176.094 0.039 0.000 1.044 468 V CA 1.399 63.738 62.300 0.065 0.000 1.036 468 V CB -0.581 31.327 31.823 0.143 0.000 0.664 468 V HN 0.212 8.402 8.190 -0.000 0.000 0.453 469 Y N 1.361 121.618 120.300 -0.072 0.000 2.293 469 Y HA -0.185 4.368 4.550 0.005 0.000 0.291 469 Y C 2.432 178.242 175.900 -0.149 0.000 1.137 469 Y CA 1.750 59.788 58.100 -0.104 0.000 1.202 469 Y CB -0.137 38.290 38.460 -0.055 0.000 0.990 469 Y HN 0.393 8.673 8.280 -0.000 0.000 0.537 470 E N -0.629 119.488 120.200 -0.139 0.000 2.106 470 E HA -0.197 4.156 4.350 0.005 0.000 0.192 470 E C 2.008 178.430 176.600 -0.297 0.000 0.984 470 E CA 1.063 57.328 56.400 -0.225 0.000 0.806 470 E CB -0.274 29.355 29.700 -0.118 0.000 0.750 470 E HN 0.313 8.673 8.360 -0.000 0.000 0.458 471 L N 0.608 121.673 121.223 -0.263 0.000 1.989 471 L HA -0.204 4.139 4.340 0.005 0.000 0.211 471 L C 2.276 178.911 176.870 -0.393 0.000 1.071 471 L CA 1.721 56.387 54.840 -0.290 0.000 0.749 471 L CB -0.399 41.483 42.059 -0.294 0.000 0.890 471 L HN 0.213 8.443 8.230 -0.000 0.000 0.431 472 M N -1.616 117.685 119.600 -0.498 0.000 2.082 472 M HA -0.265 4.218 4.480 0.005 0.000 0.258 472 M C 2.324 177.841 176.300 -1.305 0.000 1.069 472 M CA 1.546 56.279 55.300 -0.946 0.000 1.102 472 M CB -0.417 31.590 32.600 -0.987 0.000 1.336 472 M HN 0.159 8.449 8.290 -0.000 0.000 0.404 473 R N 0.079 120.000 120.500 -0.964 0.000 2.105 473 R HA -0.083 4.260 4.340 0.005 0.000 0.239 473 R C 2.193 178.266 176.300 -0.379 0.000 1.135 473 R CA 1.708 57.438 56.100 -0.616 0.000 0.967 473 R CB -1.283 28.700 30.300 -0.529 0.000 0.861 473 R HN 0.462 8.732 8.270 -0.000 0.000 0.442 474 A N 0.292 122.900 122.820 -0.353 0.000 1.933 474 A HA -0.159 4.164 4.320 0.005 0.000 0.218 474 A C 2.562 180.013 177.584 -0.221 0.000 1.175 474 A CA 1.533 53.435 52.037 -0.224 0.000 0.628 474 A CB -0.793 18.087 19.000 -0.199 0.000 0.814 474 A HN 0.411 8.561 8.150 -0.000 0.000 0.444 475 C N -2.244 116.838 119.300 -0.364 0.000 2.432 475 C HA -0.081 4.383 4.460 0.005 0.000 0.280 475 C C 1.492 176.326 174.990 -0.260 0.000 1.353 475 C CA -0.146 58.686 59.018 -0.309 0.000 1.766 475 C CB -1.434 26.064 27.740 -0.403 0.000 1.924 475 C HN 0.815 9.045 8.230 -0.000 0.000 0.509 476 W N 0.795 121.814 121.300 -0.468 0.000 3.305 476 W HA 0.285 4.948 4.660 0.005 0.000 0.392 476 W C 0.540 176.964 176.519 -0.158 0.000 1.121 476 W CA -0.591 56.263 57.345 -0.818 0.000 1.909 476 W CB -1.180 27.699 29.460 -0.968 0.000 1.065 476 W HN 0.385 8.565 8.180 -0.000 0.000 0.714 477 Q N 0.430 120.339 119.800 0.182 0.000 2.300 477 Q HA -0.131 4.212 4.340 0.005 0.000 0.280 477 Q C 1.501 177.762 176.000 0.435 0.000 1.033 477 Q CA 0.271 56.229 55.803 0.259 0.000 0.903 477 Q CB 0.930 29.751 28.738 0.137 0.000 1.195 477 Q HN 0.360 8.630 8.270 -0.000 0.000 0.386 478 W N 4.219 125.658 121.300 0.231 0.000 2.317 478 W HA -0.216 4.448 4.660 0.005 0.000 0.318 478 W C 0.546 177.132 176.519 0.110 0.000 1.227 478 W CA 1.212 58.660 57.345 0.172 0.000 1.269 478 W CB 0.162 29.668 29.460 0.076 0.000 1.155 478 W HN 0.573 8.753 8.180 -0.000 0.000 0.484 479 N N 1.105 119.924 118.700 0.198 0.000 2.470 479 N HA 0.038 4.782 4.740 0.005 0.000 0.268 479 N C -1.767 173.759 175.510 0.026 0.000 1.136 479 N CA -1.410 51.675 53.050 0.059 0.000 0.961 479 N CB 1.252 39.813 38.487 0.123 0.000 1.067 479 N HN -0.143 8.237 8.380 -0.000 0.000 0.468 480 P HA -0.119 4.301 4.420 -0.000 0.000 0.218 480 P C 1.004 178.309 177.300 0.007 0.000 1.148 480 P CA 1.258 64.354 63.100 -0.007 0.000 0.822 480 P CB 0.055 31.730 31.700 -0.041 0.000 0.784 481 S N -1.211 114.492 115.700 0.004 0.000 2.453 481 S HA -0.093 4.380 4.470 0.005 0.000 0.231 481 S C 1.414 176.018 174.600 0.007 0.000 1.005 481 S CA 0.928 59.130 58.200 0.003 0.000 0.949 481 S CB -0.941 62.261 63.200 0.002 0.000 0.774 481 S HN 0.078 8.388 8.310 -0.000 0.000 0.510 482 D N 1.559 121.974 120.400 0.025 0.000 2.347 482 D HA 0.100 4.743 4.640 0.005 0.000 0.215 482 D C 0.613 176.917 176.300 0.006 0.000 0.976 482 D CA 0.329 54.343 54.000 0.024 0.000 0.884 482 D CB -0.042 40.790 40.800 0.053 0.000 0.915 482 D HN 0.484 8.854 8.370 -0.000 0.000 0.526 483 R N 1.568 122.070 120.500 0.003 0.000 2.539 483 R HA 0.246 4.589 4.340 0.005 0.000 0.275 483 R C -2.122 174.131 176.300 -0.078 0.000 1.077 483 R CA -1.322 54.759 56.100 -0.031 0.000 1.097 483 R CB 0.305 30.599 30.300 -0.010 0.000 1.018 483 R HN 0.014 8.284 8.270 -0.000 0.000 0.483 484 P HA -0.028 4.392 4.420 -0.000 0.000 0.272 484 P C -0.491 176.698 177.300 -0.185 0.000 1.240 484 P CA -0.305 62.715 63.100 -0.133 0.000 0.791 484 P CB 0.686 32.297 31.700 -0.147 0.000 0.978 485 S N 0.171 115.789 115.700 -0.137 0.000 2.603 485 S HA 0.196 4.669 4.470 0.005 0.000 0.268 485 S C 1.095 175.596 174.600 -0.165 0.000 1.317 485 S CA -0.359 57.762 58.200 -0.132 0.000 1.012 485 S CB -0.202 62.981 63.200 -0.028 0.000 0.926 485 S HN 0.304 8.614 8.310 -0.000 0.000 0.539 486 F N 0.973 120.895 119.950 -0.048 0.000 2.202 486 F HA -0.077 4.453 4.527 0.005 0.000 0.301 486 F C 2.758 178.546 175.800 -0.020 0.000 1.082 486 F CA 1.206 59.155 58.000 -0.085 0.000 1.313 486 F CB -0.686 38.250 39.000 -0.106 0.000 1.024 486 F HN 0.795 9.095 8.300 -0.000 0.000 0.495 487 A N 0.341 123.268 122.820 0.178 0.000 1.865 487 A HA -0.254 4.069 4.320 0.005 0.000 0.217 487 A C 2.069 179.719 177.584 0.110 0.000 1.191 487 A CA 2.074 54.197 52.037 0.144 0.000 0.623 487 A CB -0.830 18.226 19.000 0.094 0.000 0.826 487 A HN 0.434 8.584 8.150 -0.000 0.000 0.444 488 E N -0.419 119.805 120.200 0.041 0.000 2.051 488 E HA -0.172 4.181 4.350 0.005 0.000 0.192 488 E C 1.942 178.523 176.600 -0.032 0.000 0.991 488 E CA 1.344 57.738 56.400 -0.010 0.000 0.799 488 E CB -0.344 29.327 29.700 -0.048 0.000 0.748 488 E HN 0.703 9.063 8.360 -0.000 0.000 0.449 489 I N 0.587 121.139 120.570 -0.029 0.000 2.163 489 I HA -0.305 3.868 4.170 0.005 0.000 0.243 489 I C 2.636 178.794 176.117 0.068 0.000 1.085 489 I CA 1.577 62.843 61.300 -0.056 0.000 1.347 489 I CB -0.334 37.640 38.000 -0.044 0.000 1.044 489 I HN 0.175 8.385 8.210 -0.000 0.000 0.408 490 H N 0.822 119.956 119.070 0.106 0.000 2.353 490 H HA -0.250 4.309 4.556 0.005 0.000 0.300 490 H C 2.158 177.577 175.328 0.153 0.000 1.090 490 H CA 2.181 58.340 56.048 0.184 0.000 1.327 490 H CB -0.148 29.691 29.762 0.127 0.000 1.383 490 H HN 0.262 8.542 8.280 -0.000 0.000 0.508 491 Q N 0.319 120.091 119.800 -0.047 0.000 2.135 491 Q HA -0.105 4.238 4.340 0.005 0.000 0.204 491 Q C 2.304 178.246 176.000 -0.096 0.000 0.981 491 Q CA 2.008 57.748 55.803 -0.105 0.000 0.856 491 Q CB -0.590 28.136 28.738 -0.020 0.000 0.902 491 Q HN 0.569 8.839 8.270 -0.000 0.000 0.425 492 A N -0.661 122.089 122.820 -0.117 0.000 1.898 492 A HA -0.073 4.250 4.320 0.005 0.000 0.216 492 A C 1.772 179.263 177.584 -0.156 0.000 1.181 492 A CA 1.242 53.170 52.037 -0.182 0.000 0.620 492 A CB -0.797 18.023 19.000 -0.300 0.000 0.819 492 A HN 0.466 8.616 8.150 -0.000 0.000 0.442 493 F N 0.066 120.016 119.950 -0.001 0.000 2.146 493 F HA -0.070 4.460 4.527 0.006 0.000 0.298 493 F C 2.295 178.119 175.800 0.040 0.000 1.096 493 F CA 1.386 59.408 58.000 0.035 0.000 1.275 493 F CB -0.679 38.362 39.000 0.068 0.000 1.008 493 F HN 0.449 8.749 8.300 -0.000 0.000 0.480 494 E N -0.069 120.189 120.200 0.098 0.000 2.085 494 E HA -0.212 4.141 4.350 0.005 0.000 0.194 494 E C 2.002 178.677 176.600 0.124 0.000 0.994 494 E CA 2.154 58.593 56.400 0.065 0.000 0.801 494 E CB -0.234 29.352 29.700 -0.190 0.000 0.743 494 E HN 0.283 8.643 8.360 -0.000 0.000 0.453 495 T N 0.691 115.279 114.554 0.056 0.000 2.652 495 T HA -0.200 4.153 4.350 0.005 0.000 0.267 495 T C 1.853 176.604 174.700 0.085 0.000 1.039 495 T CA 1.924 64.052 62.100 0.048 0.000 1.153 495 T CB -0.228 68.643 68.868 0.006 0.000 0.863 495 T HN 0.236 8.476 8.240 -0.000 0.000 0.428 496 M N -0.111 119.566 119.600 0.127 0.000 2.117 496 M HA -0.001 4.483 4.480 0.005 0.000 0.262 496 M C 2.070 178.498 176.300 0.214 0.000 1.065 496 M CA 1.606 56.999 55.300 0.156 0.000 1.114 496 M CB -0.490 32.234 32.600 0.207 0.000 1.361 496 M HN 0.216 8.506 8.290 -0.000 0.000 0.408 497 F N 0.753 120.763 119.950 0.100 0.000 2.216 497 F HA -0.155 4.375 4.527 0.005 0.000 0.300 497 F C 1.769 177.595 175.800 0.044 0.000 1.085 497 F CA 0.581 58.633 58.000 0.086 0.000 1.326 497 F CB 0.263 39.335 39.000 0.120 0.000 1.027 497 F HN 0.102 8.402 8.300 -0.000 0.000 0.497 498 Q N 0.000 119.797 119.800 -0.006 0.000 2.315 498 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 498 Q CA 0.000 55.744 55.803 -0.098 0.000 1.022 498 Q CB 0.000 28.723 28.738 -0.024 0.000 1.108 498 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481