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 2czo_1_A DATA FIRST_RESID 273 DATA SEQUENCE KSAKLVDGEL LVKASVESFG LEDEKYWFLV CCELSNGKTR QLKRYYQDFY DATA SEQUENCE DLQVQLLDAF PAEAGKLRDA GGQWSKRIMP YIPGPVPYVT NSITKKRKED DATA SEQUENCE LNIYVADLVN LPDYISRSEM VHSLFVVLNN 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 273 K HA 0.000 4.276 4.320 -0.074 0.000 0.191 273 K C 0.000 176.523 176.600 -0.128 0.000 0.988 273 K CA 0.000 56.240 56.287 -0.079 0.000 0.838 273 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 274 S N -0.040 115.567 115.700 -0.154 0.000 2.766 274 S HA 0.214 4.494 4.470 -0.317 0.000 0.307 274 S C -0.062 174.448 174.600 -0.150 0.000 1.121 274 S CA -0.779 57.270 58.200 -0.251 0.000 0.980 274 S CB 1.654 64.645 63.200 -0.348 0.000 1.159 274 S HN 0.028 8.268 8.310 -0.117 0.000 0.546 275 A N 0.729 123.469 122.820 -0.134 0.000 2.304 275 A HA 0.010 4.313 4.320 -0.028 0.000 0.271 275 A C -1.166 176.403 177.584 -0.024 0.000 1.091 275 A CA -0.273 51.748 52.037 -0.026 0.000 0.812 275 A CB 0.697 19.735 19.000 0.064 0.000 1.056 275 A HN 0.135 8.145 8.150 -0.234 0.000 0.489 276 K N 0.935 121.321 120.400 -0.023 0.000 2.172 276 K HA -0.003 4.268 4.320 -0.081 0.000 0.276 276 K C -0.638 175.931 176.600 -0.052 0.000 1.013 276 K CA -0.555 55.701 56.287 -0.052 0.000 0.913 276 K CB 0.734 33.207 32.500 -0.045 0.000 1.055 276 K HN 0.132 8.376 8.250 -0.010 0.000 0.461 277 L N 3.217 124.378 121.223 -0.103 0.000 2.416 277 L HA -0.086 4.216 4.340 -0.062 0.000 0.272 277 L C 0.352 177.169 176.870 -0.088 0.000 1.161 277 L CA -0.148 54.630 54.840 -0.104 0.000 0.845 277 L CB 0.227 42.179 42.059 -0.179 0.000 1.119 277 L HN 0.229 8.372 8.230 -0.145 0.000 0.464 278 V N -0.812 119.043 119.914 -0.097 0.000 2.370 278 V HA 0.186 4.254 4.120 -0.086 0.000 0.279 278 V C -0.183 175.851 176.094 -0.100 0.000 1.029 278 V CA -0.836 61.397 62.300 -0.113 0.000 0.870 278 V CB 0.416 32.124 31.823 -0.193 0.000 0.984 278 V HN 0.361 8.493 8.190 -0.097 0.000 0.451 279 D N 9.888 130.245 120.400 -0.072 0.000 3.085 279 D HA 0.018 4.625 4.640 -0.054 0.000 0.243 279 D C -0.800 175.472 176.300 -0.046 0.000 1.232 279 D CA 0.732 54.699 54.000 -0.054 0.000 0.913 279 D CB -1.235 39.539 40.800 -0.043 0.000 1.108 279 D HN 0.627 8.957 8.370 -0.065 0.000 0.468 280 G N 0.162 108.927 108.800 -0.058 0.000 2.506 280 G HA2 0.043 3.990 3.960 -0.022 0.000 0.188 280 G HA3 0.043 3.981 3.960 -0.037 0.000 0.188 280 G C -1.443 173.442 174.900 -0.024 0.000 1.780 280 G CA 0.192 45.271 45.100 -0.036 0.000 0.727 280 G HN -0.510 7.646 8.290 -0.085 0.084 0.784 281 E N 2.629 122.816 120.200 -0.021 0.000 2.101 281 E HA 0.175 4.537 4.350 0.021 0.000 0.260 281 E C -1.355 175.263 176.600 0.030 0.000 0.897 281 E CA -0.965 55.452 56.400 0.029 0.000 0.744 281 E CB -0.952 28.803 29.700 0.091 0.000 1.140 281 E HN 0.116 8.448 8.360 -0.047 0.000 0.419 282 L N 1.042 122.275 121.223 0.015 0.000 2.357 282 L HA 0.469 4.829 4.340 0.033 0.000 0.273 282 L C -0.876 176.026 176.870 0.053 0.000 1.080 282 L CA -0.593 54.265 54.840 0.030 0.000 0.803 282 L CB 0.929 42.991 42.059 0.005 0.000 1.174 282 L HN -0.048 8.186 8.230 0.007 0.000 0.443 283 L N -0.977 120.290 121.223 0.072 0.000 2.421 283 L HA -0.015 4.314 4.340 -0.020 0.000 0.263 283 L C 0.468 177.318 176.870 -0.034 0.000 1.122 283 L CA -0.028 54.808 54.840 -0.007 0.000 0.804 283 L CB 0.520 42.533 42.059 -0.077 0.000 1.150 283 L HN -0.087 8.216 8.230 0.122 0.000 0.457 284 V N -5.304 114.570 119.914 -0.068 0.000 3.484 284 V HA 0.256 4.350 4.120 -0.043 0.000 0.252 284 V C -0.192 175.853 176.094 -0.081 0.000 1.282 284 V CA 0.004 62.269 62.300 -0.058 0.000 1.104 284 V CB 1.722 33.519 31.823 -0.043 0.000 0.868 284 V HN 0.390 8.527 8.190 -0.089 0.000 0.457 285 K N -0.571 119.755 120.400 -0.123 0.000 2.498 285 K HA 0.345 4.601 4.320 -0.107 0.000 0.254 285 K C -2.134 174.328 176.600 -0.231 0.000 0.933 285 K CA -1.594 54.613 56.287 -0.133 0.000 0.806 285 K CB 3.619 36.062 32.500 -0.095 0.000 1.301 285 K HN -0.339 7.824 8.250 -0.144 0.000 0.432 286 A N 3.267 125.970 122.820 -0.194 0.000 2.402 286 A HA 0.435 4.515 4.320 -0.400 0.000 0.291 286 A C -2.245 175.308 177.584 -0.052 0.000 1.051 286 A CA -0.751 51.139 52.037 -0.245 0.000 0.716 286 A CB 2.498 21.349 19.000 -0.248 0.000 1.223 286 A HN 0.348 8.426 8.150 -0.120 0.000 0.425 287 S N 2.298 117.987 115.700 -0.018 0.000 2.537 287 S HA 0.362 4.931 4.470 0.036 -0.078 0.270 287 S C -2.139 172.495 174.600 0.056 0.000 1.142 287 S CA -0.980 57.234 58.200 0.024 0.000 0.870 287 S CB 2.246 65.445 63.200 -0.002 0.000 1.112 287 S HN 0.288 8.566 8.310 -0.052 0.000 0.466 288 V N 6.666 126.610 119.914 0.050 0.000 2.465 288 V HA 0.058 4.319 4.120 0.088 -0.088 0.279 288 V C -0.518 175.608 176.094 0.054 0.000 1.045 288 V CA 0.308 62.642 62.300 0.058 0.000 0.938 288 V CB 0.530 32.365 31.823 0.019 0.000 0.986 288 V HN 0.518 8.728 8.190 0.033 0.000 0.467 289 E N 7.342 127.583 120.200 0.067 0.000 1.998 289 E HA -0.167 4.207 4.350 0.040 0.000 0.195 289 E C -0.219 176.406 176.600 0.043 0.000 0.994 289 E CA 2.017 58.447 56.400 0.051 0.000 0.835 289 E CB 1.318 31.054 29.700 0.059 0.000 0.786 289 E HN 0.151 8.564 8.360 0.088 0.000 0.467 290 S N -7.170 108.548 115.700 0.030 0.000 2.724 290 S HA 0.105 4.620 4.470 0.074 0.000 0.278 290 S C -2.252 172.299 174.600 -0.082 0.000 1.190 290 S CA -0.820 57.391 58.200 0.019 0.000 0.860 290 S CB 1.566 64.763 63.200 -0.006 0.000 1.206 290 S HN -0.565 7.761 8.310 0.027 0.000 0.507 291 F N -0.239 119.448 119.950 -0.439 0.000 2.556 291 F HA 0.986 4.962 4.527 -1.057 -0.083 0.327 291 F C -1.377 173.841 175.800 -0.969 0.000 1.059 291 F CA -2.433 55.051 58.000 -0.859 0.000 0.953 291 F CB 2.911 41.359 39.000 -0.921 0.000 1.227 291 F HN 0.023 8.469 8.300 0.242 0.000 0.478 292 G N -1.580 105.965 108.800 -2.092 0.000 2.725 292 G HA2 0.207 3.435 3.960 -1.220 0.000 0.288 292 G HA3 0.207 3.649 3.960 -0.864 0.000 0.288 292 G C -3.411 171.098 174.900 -0.651 0.000 1.399 292 G CA -1.140 43.125 45.100 -1.391 0.000 0.859 292 G HN 0.381 7.228 8.290 -2.405 0.000 0.479 293 L N 0.091 121.327 121.223 0.021 0.000 2.265 293 L HA 0.496 4.989 4.340 0.255 0.000 0.288 293 L C -0.969 176.119 176.870 0.364 0.000 1.058 293 L CA -0.809 54.160 54.840 0.215 0.000 0.809 293 L CB 1.297 43.412 42.059 0.093 0.000 1.179 293 L HN 0.110 8.334 8.230 -0.009 0.000 0.429 294 E N 8.003 128.405 120.200 0.337 0.000 2.216 294 E HA 0.168 4.535 4.350 0.029 0.000 0.260 294 E C -1.522 175.111 176.600 0.055 0.000 0.880 294 E CA -0.934 55.535 56.400 0.116 0.000 0.765 294 E CB 2.686 32.387 29.700 0.002 0.000 1.174 294 E HN 0.865 9.442 8.360 0.362 0.000 0.417 295 D N 6.676 127.082 120.400 0.010 0.000 2.706 295 D HA -0.374 4.261 4.640 -0.009 0.000 0.230 295 D C -0.291 175.996 176.300 -0.022 0.000 1.184 295 D CA 1.799 55.795 54.000 -0.007 0.000 0.628 295 D CB -0.560 40.232 40.800 -0.013 0.000 1.019 295 D HN 0.745 9.115 8.370 -0.000 0.000 0.415 296 E N -8.045 112.141 120.200 -0.023 0.000 4.798 296 E HA -0.400 3.919 4.350 -0.053 0.000 0.165 296 E C -0.454 176.005 176.600 -0.235 0.000 1.032 296 E CA 1.762 58.109 56.400 -0.087 0.000 2.424 296 E CB -1.663 27.984 29.700 -0.089 0.000 1.697 296 E HN 0.367 8.730 8.360 0.010 0.003 0.529 297 K N -0.693 119.611 120.400 -0.159 0.000 2.276 297 K HA 0.041 4.100 4.320 -0.436 0.000 0.259 297 K C -0.964 175.597 176.600 -0.066 0.000 1.001 297 K CA 0.417 56.585 56.287 -0.200 0.000 0.927 297 K CB 0.861 33.374 32.500 0.021 0.000 0.969 297 K HN -0.123 7.962 8.250 -0.069 0.125 0.490 298 Y N -1.451 118.980 120.300 0.218 0.000 2.330 298 Y HA 0.317 5.088 4.550 0.158 -0.127 0.336 298 Y C -0.158 175.906 175.900 0.273 0.000 1.036 298 Y CA -1.341 56.872 58.100 0.187 0.000 1.125 298 Y CB 1.087 39.616 38.460 0.115 0.000 1.194 298 Y HN 0.134 8.353 8.280 -0.102 0.000 0.469 299 W N -0.616 120.745 121.300 0.103 0.000 2.799 299 W HA 0.596 5.450 4.660 0.324 0.000 0.349 299 W C -2.657 173.796 176.519 -0.110 0.000 1.100 299 W CA -3.115 54.292 57.345 0.105 0.000 1.174 299 W CB 2.839 32.349 29.460 0.083 0.000 1.427 299 W HN 0.193 8.400 8.180 0.045 0.000 0.547 300 F N -2.647 117.507 119.950 0.340 0.000 2.546 300 F HA 0.284 4.858 4.527 -0.094 -0.103 0.320 300 F C -1.665 174.280 175.800 0.243 0.000 1.076 300 F CA -1.404 56.686 58.000 0.150 0.000 0.928 300 F CB 3.033 42.185 39.000 0.253 0.000 1.189 300 F HN -0.160 8.646 8.300 0.843 0.000 0.465 301 L N 2.406 123.778 121.223 0.248 0.000 2.262 301 L HA 0.324 4.919 4.340 0.426 0.000 0.288 301 L C -2.032 174.973 176.870 0.226 0.000 1.035 301 L CA -0.918 54.099 54.840 0.295 0.000 0.820 301 L CB 1.728 43.921 42.059 0.223 0.000 1.204 301 L HN 0.792 9.081 8.230 0.099 0.000 0.424 302 V N 7.319 127.376 119.914 0.239 0.000 2.370 302 V HA 0.134 4.359 4.120 0.176 0.000 0.279 302 V C -1.727 174.500 176.094 0.222 0.000 1.029 302 V CA -0.366 62.064 62.300 0.216 0.000 0.870 302 V CB 0.802 32.756 31.823 0.218 0.000 0.984 302 V HN -0.111 8.242 8.190 0.273 0.000 0.451 303 C N 7.774 127.177 119.300 0.171 0.000 2.529 303 C HA 1.120 5.863 4.460 0.109 -0.217 0.329 303 C C -1.723 173.262 174.990 -0.008 0.000 1.194 303 C CA -2.540 56.534 59.018 0.095 0.000 1.779 303 C CB 3.587 31.363 27.740 0.059 0.000 2.322 303 C HN 0.167 8.490 8.230 0.155 0.000 0.500 304 C N 2.646 121.887 119.300 -0.099 0.000 3.239 304 C HA 0.457 4.827 4.460 -0.278 -0.077 0.329 304 C C -2.980 171.910 174.990 -0.168 0.000 1.252 304 C CA -2.453 56.398 59.018 -0.279 0.000 1.323 304 C CB 3.587 30.910 27.740 -0.695 0.000 1.663 304 C HN 0.483 8.689 8.230 -0.039 0.000 0.487 305 E N 1.098 121.200 120.200 -0.163 0.000 2.212 305 E HA 0.978 5.493 4.350 -0.070 -0.207 0.268 305 E C -1.284 175.262 176.600 -0.089 0.000 0.902 305 E CA -1.871 54.473 56.400 -0.095 0.000 0.779 305 E CB 3.627 33.286 29.700 -0.068 0.000 1.172 305 E HN 0.043 8.173 8.360 -0.203 0.108 0.409 306 L N 2.125 123.317 121.223 -0.051 0.000 2.347 306 L HA 0.363 4.680 4.340 -0.039 0.000 0.268 306 L C 1.163 178.020 176.870 -0.022 0.000 1.019 306 L CA -1.442 53.380 54.840 -0.031 0.000 0.806 306 L CB 1.696 43.751 42.059 -0.006 0.000 1.339 306 L HN 0.092 8.298 8.230 -0.039 0.000 0.463 307 S N 1.291 116.983 115.700 -0.013 0.000 2.522 307 S HA -0.194 4.267 4.470 -0.015 0.000 0.227 307 S C 0.297 174.893 174.600 -0.007 0.000 0.986 307 S CA 2.386 60.579 58.200 -0.011 0.000 0.929 307 S CB -0.040 63.155 63.200 -0.008 0.000 0.769 307 S HN 0.793 9.098 8.310 -0.008 0.000 0.529 308 N N -2.032 116.666 118.700 -0.003 0.000 2.236 308 N HA 0.025 4.764 4.740 -0.001 0.000 0.196 308 N C 0.123 175.632 175.510 -0.001 0.000 1.114 308 N CA -0.497 52.552 53.050 -0.000 0.000 0.859 308 N CB -0.497 37.992 38.487 0.004 0.000 0.982 308 N HN -0.308 8.009 8.380 -0.003 0.061 0.493 309 G N -0.406 108.391 108.800 -0.006 0.000 2.149 309 G HA2 -0.370 3.584 3.960 -0.010 0.000 0.235 309 G HA3 -0.370 3.587 3.960 -0.004 0.000 0.235 309 G C -0.977 173.921 174.900 -0.004 0.000 1.018 309 G CA 0.356 45.453 45.100 -0.006 0.000 0.728 309 G HN -0.571 7.535 8.290 -0.009 0.179 0.508 310 K N 0.006 120.404 120.400 -0.003 0.000 2.118 310 K HA 0.151 4.474 4.320 0.005 0.000 0.267 310 K C -1.355 175.240 176.600 -0.007 0.000 0.991 310 K CA -0.884 55.404 56.287 0.002 0.000 0.916 310 K CB 1.417 33.924 32.500 0.012 0.000 1.041 310 K HN -0.428 7.819 8.250 -0.005 0.000 0.455 311 T N -1.319 113.235 114.554 0.001 0.000 2.993 311 T HA 0.777 5.351 4.350 -0.018 -0.235 0.312 311 T C -0.425 174.286 174.700 0.017 0.000 1.115 311 T CA -1.434 60.665 62.100 -0.001 0.000 1.027 311 T CB 2.309 71.178 68.868 0.002 0.000 1.116 311 T HN 0.014 8.259 8.240 0.008 0.000 0.464 312 R N 3.103 123.619 120.500 0.026 0.000 2.795 312 R HA 0.406 4.773 4.340 0.045 0.000 0.275 312 R C -1.991 174.358 176.300 0.082 0.000 0.981 312 R CA -0.885 55.246 56.100 0.052 0.000 0.917 312 R CB 3.403 33.739 30.300 0.060 0.000 1.202 312 R HN 0.037 8.314 8.270 0.012 0.000 0.469 313 Q N 1.536 121.388 119.800 0.087 0.000 2.275 313 Q HA 0.903 5.574 4.340 0.143 -0.245 0.266 313 Q C -1.214 174.853 176.000 0.112 0.000 1.002 313 Q CA -1.078 54.795 55.803 0.116 0.000 0.761 313 Q CB 2.756 31.560 28.738 0.109 0.000 1.255 313 Q HN 0.160 8.472 8.270 0.069 0.000 0.446 314 L N 1.577 122.885 121.223 0.142 0.000 2.409 314 L HA 0.533 4.921 4.340 0.080 0.000 0.262 314 L C -1.562 175.412 176.870 0.174 0.000 0.992 314 L CA -1.517 53.392 54.840 0.115 0.000 0.817 314 L CB 2.062 44.169 42.059 0.080 0.000 1.350 314 L HN 0.029 8.364 8.230 0.175 0.000 0.411 315 K N 0.598 121.081 120.400 0.138 0.000 2.138 315 K HA 0.814 5.585 4.320 0.378 -0.224 0.263 315 K C -0.098 176.547 176.600 0.075 0.000 0.965 315 K CA -1.059 55.361 56.287 0.221 0.000 0.868 315 K CB 1.096 33.707 32.500 0.185 0.000 1.083 315 K HN 0.213 8.500 8.250 0.062 0.000 0.443 316 R N 1.480 122.059 120.500 0.133 0.000 2.929 316 R HA 0.327 4.412 4.340 -0.424 0.000 0.259 316 R C -1.693 174.508 176.300 -0.165 0.000 1.141 316 R CA -1.290 54.718 56.100 -0.154 0.000 0.991 316 R CB 3.820 34.094 30.300 -0.044 0.000 1.287 316 R HN 0.117 8.607 8.270 0.368 0.000 0.450 317 Y N -3.812 116.430 120.300 -0.096 0.000 2.568 317 Y HA 0.279 4.991 4.550 0.271 0.000 0.327 317 Y C 1.585 177.102 175.900 -0.638 0.000 1.163 317 Y CA -2.223 55.835 58.100 -0.070 0.000 1.219 317 Y CB 1.315 39.759 38.460 -0.026 0.000 1.308 317 Y HN 0.036 8.090 8.280 -0.377 0.000 0.503 318 Y N -0.706 119.475 120.300 -0.199 0.000 2.352 318 Y HA -0.427 3.806 4.550 -0.527 0.000 0.292 318 Y C 1.639 177.329 175.900 -0.350 0.000 1.136 318 Y CA 2.114 60.009 58.100 -0.342 0.000 1.227 318 Y CB -0.484 37.974 38.460 -0.004 0.000 0.991 318 Y HN 0.478 9.198 8.280 0.734 0.000 0.545 319 Q N 0.096 119.271 119.800 -1.042 0.000 2.119 319 Q HA -0.300 3.518 4.340 -0.870 0.000 0.201 319 Q C 2.188 177.938 176.000 -0.418 0.000 0.972 319 Q CA 3.746 59.067 55.803 -0.805 0.000 0.847 319 Q CB -0.879 27.472 28.738 -0.646 0.000 0.903 319 Q HN 0.224 7.989 8.270 -0.791 0.030 0.433 320 D N -0.949 119.154 120.400 -0.495 0.000 2.133 320 D HA -0.295 4.229 4.640 -0.193 0.000 0.195 320 D C 2.373 178.522 176.300 -0.251 0.000 0.997 320 D CA 3.458 57.238 54.000 -0.366 0.000 0.840 320 D CB -0.214 40.334 40.800 -0.420 0.000 0.947 320 D HN -0.565 7.389 8.370 -0.545 0.089 0.452 321 F N -2.566 117.304 119.950 -0.134 0.000 2.146 321 F HA -0.351 4.044 4.527 -0.220 0.000 0.298 321 F C 1.716 177.409 175.800 -0.178 0.000 1.096 321 F CA 1.182 59.050 58.000 -0.220 0.000 1.275 321 F CB -1.491 37.308 39.000 -0.336 0.000 1.008 321 F HN -0.915 6.597 8.300 -1.306 0.004 0.480 322 Y N 0.336 120.573 120.300 -0.105 0.000 2.181 322 Y HA -0.549 3.970 4.550 -0.051 0.000 0.288 322 Y C 1.506 177.377 175.900 -0.049 0.000 1.146 322 Y CA 3.540 61.588 58.100 -0.086 0.000 1.164 322 Y CB 0.237 38.613 38.460 -0.140 0.000 0.982 322 Y HN -0.659 7.552 8.280 0.020 0.081 0.515 323 D N -0.868 119.541 120.400 0.016 0.000 2.178 323 D HA -0.345 4.269 4.640 -0.042 0.000 0.201 323 D C 2.217 178.492 176.300 -0.041 0.000 0.980 323 D CA 3.270 57.255 54.000 -0.025 0.000 0.842 323 D CB 0.282 41.083 40.800 0.001 0.000 0.948 323 D HN -0.048 8.347 8.370 0.043 0.000 0.472 324 L N 0.260 121.479 121.223 -0.006 0.000 2.056 324 L HA -0.241 4.129 4.340 0.051 0.000 0.207 324 L C 1.670 178.590 176.870 0.083 0.000 1.078 324 L CA 2.735 57.607 54.840 0.053 0.000 0.749 324 L CB -0.214 41.901 42.059 0.095 0.000 0.901 324 L HN -0.630 7.479 8.230 -0.005 0.119 0.433 325 Q N -0.703 119.132 119.800 0.058 0.000 2.079 325 Q HA -0.267 4.206 4.340 0.222 0.000 0.200 325 Q C 2.388 178.376 176.000 -0.020 0.000 0.974 325 Q CA 2.982 58.843 55.803 0.096 0.000 0.840 325 Q CB -0.266 28.523 28.738 0.085 0.000 0.898 325 Q HN -0.391 7.873 8.270 -0.010 0.000 0.430 326 V N -0.589 119.230 119.914 -0.158 0.000 2.469 326 V HA -0.416 3.618 4.120 -0.142 0.000 0.251 326 V C 2.673 178.746 176.094 -0.036 0.000 1.064 326 V CA 3.729 65.942 62.300 -0.144 0.000 1.066 326 V CB -0.923 30.777 31.823 -0.206 0.000 0.667 326 V HN -0.280 7.761 8.190 -0.249 0.000 0.461 327 Q N -1.902 117.897 119.800 -0.002 0.000 2.245 327 Q HA -0.200 4.145 4.340 0.009 0.000 0.201 327 Q C 2.717 178.764 176.000 0.079 0.000 0.955 327 Q CA 2.787 58.607 55.803 0.029 0.000 0.870 327 Q CB 0.042 28.802 28.738 0.036 0.000 0.945 327 Q HN -0.692 7.459 8.270 -0.009 0.113 0.461 328 L N 1.021 122.325 121.223 0.136 0.000 2.093 328 L HA -0.272 4.328 4.340 0.432 0.000 0.208 328 L C 2.226 179.234 176.870 0.231 0.000 1.085 328 L CA 3.259 58.258 54.840 0.267 0.000 0.755 328 L CB -0.180 41.996 42.059 0.194 0.000 0.904 328 L HN -0.230 7.957 8.230 0.105 0.106 0.435 329 L N -1.533 119.759 121.223 0.115 0.000 2.079 329 L HA -0.314 4.086 4.340 0.101 0.000 0.210 329 L C 1.480 178.391 176.870 0.069 0.000 1.081 329 L CA 3.070 57.961 54.840 0.085 0.000 0.752 329 L CB -1.028 41.059 42.059 0.046 0.000 0.896 329 L HN -0.100 8.179 8.230 0.082 0.000 0.433 330 D N -2.337 118.087 120.400 0.039 0.000 2.201 330 D HA -0.127 4.516 4.640 0.006 0.000 0.209 330 D C 1.661 177.932 176.300 -0.048 0.000 0.961 330 D CA 2.203 56.203 54.000 0.000 0.000 0.861 330 D CB 0.514 41.307 40.800 -0.012 0.000 0.997 330 D HN -0.790 7.591 8.370 0.040 0.013 0.486 331 A N -0.458 122.307 122.820 -0.091 0.000 1.859 331 A HA -0.228 4.067 4.320 -0.318 -0.166 0.217 331 A C 0.577 177.846 177.584 -0.525 0.000 1.198 331 A CA 2.106 53.922 52.037 -0.367 0.000 0.629 331 A CB 0.569 19.266 19.000 -0.504 0.000 0.830 331 A HN -0.111 7.916 8.150 -0.020 0.111 0.446 332 F N -4.529 115.428 119.950 0.011 0.000 2.319 332 F HA 0.473 5.003 4.527 0.004 0.000 0.356 332 F C -1.649 174.145 175.800 -0.010 0.000 1.100 332 F CA -3.264 54.734 58.000 -0.004 0.000 1.220 332 F CB -0.472 38.512 39.000 -0.027 0.000 1.506 332 F HN -0.444 7.995 8.300 0.231 0.000 0.512 333 P HA -0.080 4.497 4.420 0.066 -0.118 0.219 333 P C 0.479 177.817 177.300 0.064 0.000 1.150 333 P CA 1.483 64.622 63.100 0.065 0.000 0.814 333 P CB 0.541 32.259 31.700 0.029 0.000 0.787 334 A N -0.772 122.088 122.820 0.066 0.000 1.877 334 A HA -0.311 4.030 4.320 0.035 0.000 0.216 334 A C 2.134 179.740 177.584 0.037 0.000 1.186 334 A CA 2.677 54.740 52.037 0.045 0.000 0.620 334 A CB -0.827 18.194 19.000 0.036 0.000 0.822 334 A HN 0.219 8.414 8.150 0.076 0.000 0.443 335 E N -1.627 118.602 120.200 0.048 0.000 2.338 335 E HA -0.254 4.085 4.350 -0.018 0.000 0.197 335 E C 0.010 176.620 176.600 0.017 0.000 1.007 335 E CA 1.914 58.316 56.400 0.004 0.000 0.849 335 E CB -1.004 28.669 29.700 -0.044 0.000 0.774 335 E HN 0.147 8.564 8.360 0.096 0.000 0.506 336 A N -3.630 119.218 122.820 0.047 0.000 2.379 336 A HA 0.089 4.436 4.320 0.046 0.000 0.236 336 A C -0.342 177.268 177.584 0.044 0.000 1.272 336 A CA -0.792 51.275 52.037 0.050 0.000 0.886 336 A CB -0.389 18.649 19.000 0.064 0.000 0.962 336 A HN -0.854 7.156 8.150 0.065 0.179 0.504 337 G N -0.920 107.902 108.800 0.036 0.000 2.422 337 G HA2 -0.331 3.647 3.960 0.029 0.000 0.290 337 G HA3 -0.331 3.649 3.960 0.032 0.000 0.290 337 G C -0.598 174.320 174.900 0.030 0.000 1.059 337 G CA 0.889 46.008 45.100 0.032 0.000 1.242 337 G HN -0.435 7.686 8.290 0.033 0.189 0.520 338 K N -1.063 119.355 120.400 0.029 0.000 2.494 338 K HA 0.049 4.384 4.320 0.024 0.000 0.201 338 K C -0.246 176.367 176.600 0.022 0.000 1.338 338 K CA 0.512 56.815 56.287 0.026 0.000 0.935 338 K CB 1.967 34.483 32.500 0.027 0.000 1.514 338 K HN -0.189 8.080 8.250 0.031 0.000 0.490 339 L N -3.092 118.145 121.223 0.023 0.000 2.322 339 L HA 0.333 4.684 4.340 0.019 0.000 0.269 339 L C -1.378 175.505 176.870 0.022 0.000 1.012 339 L CA -1.086 53.766 54.840 0.021 0.000 0.815 339 L CB 2.035 44.105 42.059 0.019 0.000 1.295 339 L HN -0.678 7.567 8.230 0.026 0.000 0.438 340 R N 0.197 120.710 120.500 0.022 0.000 2.393 340 R HA 0.184 4.541 4.340 0.028 0.000 0.310 340 R C -0.764 175.551 176.300 0.025 0.000 0.968 340 R CA -0.760 55.355 56.100 0.025 0.000 0.867 340 R CB 1.120 31.435 30.300 0.025 0.000 1.124 340 R HN 0.043 8.324 8.270 0.020 0.000 0.450 341 D N 4.388 124.805 120.400 0.029 0.000 2.300 341 D HA -0.152 4.500 4.640 0.020 0.000 0.235 341 D C 0.474 176.792 176.300 0.029 0.000 1.338 341 D CA 0.652 54.669 54.000 0.028 0.000 0.903 341 D CB 0.695 41.516 40.800 0.035 0.000 1.180 341 D HN 0.213 8.603 8.370 0.033 0.000 0.485 342 A N -1.116 121.720 122.820 0.028 0.000 1.930 342 A HA -0.150 4.184 4.320 0.023 0.000 0.217 342 A C -0.175 177.429 177.584 0.033 0.000 1.175 342 A CA 1.529 53.582 52.037 0.027 0.000 0.627 342 A CB 0.404 19.418 19.000 0.024 0.000 0.815 342 A HN 0.257 8.421 8.150 0.025 0.000 0.443 343 G N -3.334 105.493 108.800 0.045 0.000 3.709 343 G HA2 -0.150 3.841 3.960 0.052 0.000 0.196 343 G HA3 -0.150 3.834 3.960 0.041 0.000 0.196 343 G C 0.654 175.597 174.900 0.072 0.000 1.177 343 G CA -0.359 44.771 45.100 0.051 0.000 0.906 343 G HN -0.203 8.103 8.290 0.049 0.013 0.416 344 G N 0.929 109.770 108.800 0.069 0.000 2.396 344 G HA2 -0.134 3.883 3.960 0.095 0.000 0.214 344 G HA3 -0.134 3.870 3.960 0.073 0.000 0.214 344 G C 0.236 175.222 174.900 0.142 0.000 1.166 344 G CA 0.021 45.176 45.100 0.092 0.000 0.793 344 G HN -0.130 8.192 8.290 0.054 0.000 0.533 345 Q N 0.820 120.677 119.800 0.095 0.000 2.304 345 Q HA 0.065 4.433 4.340 0.046 0.000 0.260 345 Q C -1.141 174.931 176.000 0.121 0.000 0.965 345 Q CA -0.273 55.563 55.803 0.055 0.000 0.898 345 Q CB 0.732 29.457 28.738 -0.020 0.000 1.196 345 Q HN -0.360 7.949 8.270 0.065 0.000 0.402 346 W N 4.164 125.460 121.300 -0.007 0.000 2.475 346 W HA 0.414 5.069 4.660 -0.008 0.000 0.320 346 W C -1.722 174.788 176.519 -0.015 0.000 1.022 346 W CA -2.358 54.982 57.345 -0.009 0.000 1.240 346 W CB 0.053 29.509 29.460 -0.008 0.000 1.328 346 W HN 0.016 8.058 8.180 -0.230 0.000 0.439 347 S N 3.230 118.939 115.700 0.016 0.000 2.541 347 S HA 0.183 4.513 4.470 -0.233 0.000 0.280 347 S C -0.700 173.913 174.600 0.022 0.000 1.112 347 S CA -0.538 57.600 58.200 -0.102 0.000 0.925 347 S CB 2.725 65.822 63.200 -0.172 0.000 1.067 347 S HN -0.017 8.351 8.310 0.097 0.000 0.479 348 K N 4.574 124.986 120.400 0.019 0.000 2.378 348 K HA -0.048 4.315 4.320 0.071 0.000 0.288 348 K C 0.038 176.634 176.600 -0.007 0.000 1.057 348 K CA 0.269 56.578 56.287 0.036 0.000 0.971 348 K CB 0.556 33.080 32.500 0.040 0.000 0.975 348 K HN 0.309 8.546 8.250 -0.022 0.000 0.475 349 R N 5.709 126.214 120.500 0.009 0.000 3.710 349 R HA -0.047 4.281 4.340 -0.021 0.000 0.201 349 R C -0.797 175.502 176.300 -0.001 0.000 1.641 349 R CA -0.478 55.621 56.100 -0.001 0.000 1.390 349 R CB -1.504 28.806 30.300 0.016 0.000 1.341 349 R HN 0.392 8.680 8.270 0.030 0.000 0.728 350 I N -4.118 116.435 120.570 -0.027 0.000 2.437 350 I HA 0.247 4.421 4.170 0.007 0.000 0.298 350 I C -1.263 174.816 176.117 -0.063 0.000 0.984 350 I CA -1.240 60.042 61.300 -0.029 0.000 1.214 350 I CB 1.726 39.699 38.000 -0.046 0.000 1.365 350 I HN -0.223 7.914 8.210 -0.049 0.044 0.469 351 M N 4.835 124.410 119.600 -0.041 0.000 2.433 351 M HA 0.350 4.745 4.480 -0.141 0.000 0.290 351 M C -2.722 173.511 176.300 -0.111 0.000 1.173 351 M CA -3.329 51.927 55.300 -0.074 0.000 0.905 351 M CB 2.896 35.495 32.600 -0.001 0.000 1.692 351 M HN -0.008 8.287 8.290 0.009 0.000 0.462 352 P HA 0.079 4.193 4.420 -0.511 0.000 0.271 352 P C -2.196 175.057 177.300 -0.077 0.000 1.220 352 P CA -0.270 62.617 63.100 -0.355 0.000 0.768 352 P CB 0.113 31.375 31.700 -0.730 0.000 0.848 353 Y N -0.509 119.848 120.300 0.095 0.000 2.509 353 Y HA 0.254 4.868 4.550 0.107 0.000 0.341 353 Y C -1.628 174.365 175.900 0.156 0.000 1.038 353 Y CA -2.799 55.368 58.100 0.112 0.000 1.089 353 Y CB 1.190 39.690 38.460 0.066 0.000 1.241 353 Y HN -0.361 7.355 8.280 -0.941 0.000 0.468 354 I N 1.891 122.677 120.570 0.359 0.000 2.428 354 I HA 0.223 4.537 4.170 0.240 0.000 0.289 354 I C -0.984 175.304 176.117 0.284 0.000 1.019 354 I CA -3.534 57.936 61.300 0.283 0.000 1.351 354 I CB -0.099 38.063 38.000 0.271 0.000 1.412 354 I HN -0.063 8.334 8.210 0.313 0.000 0.513 355 P HA -0.022 4.509 4.420 0.184 0.000 0.239 355 P C -0.814 176.564 177.300 0.129 0.000 1.184 355 P CA 0.139 63.345 63.100 0.176 0.000 0.760 355 P CB 0.680 32.463 31.700 0.140 0.000 0.884 356 G N -0.119 108.772 108.800 0.152 0.000 2.785 356 G HA2 -0.223 3.826 3.960 0.149 0.000 0.686 356 G HA3 -0.223 3.794 3.960 0.095 0.000 0.686 356 G C -2.454 172.505 174.900 0.099 0.000 1.155 356 G CA -0.928 44.246 45.100 0.124 0.000 0.760 356 G HN -0.223 8.072 8.290 0.193 0.110 0.624 357 P HA 0.300 4.770 4.420 0.084 0.000 0.272 357 P C -1.093 176.228 177.300 0.036 0.000 1.223 357 P CA -0.519 62.613 63.100 0.054 0.000 0.784 357 P CB 1.045 32.752 31.700 0.011 0.000 0.923 358 V N 2.552 122.475 119.914 0.015 0.000 2.588 358 V HA 0.213 4.348 4.120 0.026 0.000 0.304 358 V C -0.505 175.588 176.094 -0.002 0.000 1.042 358 V CA -2.547 59.760 62.300 0.011 0.000 0.877 358 V CB 1.708 33.535 31.823 0.007 0.000 0.996 358 V HN -0.112 8.078 8.190 0.001 0.000 0.425 359 P HA -0.100 4.329 4.420 0.016 0.000 0.215 359 P C -0.845 176.496 177.300 0.068 0.000 1.157 359 P CA 1.530 64.656 63.100 0.044 0.000 0.859 359 P CB 0.417 32.159 31.700 0.071 0.000 0.786 360 Y N 0.715 121.005 120.300 -0.015 0.000 2.787 360 Y HA 0.138 4.686 4.550 -0.003 0.000 0.352 360 Y C -1.625 174.263 175.900 -0.021 0.000 1.027 360 Y CA -1.589 56.505 58.100 -0.010 0.000 1.219 360 Y CB 0.543 39.001 38.460 -0.003 0.000 1.110 360 Y HN -0.511 7.872 8.280 0.172 0.000 0.614 361 V N 3.251 123.172 119.914 0.012 0.000 2.529 361 V HA -0.052 4.088 4.120 0.033 0.000 0.292 361 V C -0.566 175.551 176.094 0.038 0.000 1.028 361 V CA 0.469 62.768 62.300 -0.001 0.000 1.074 361 V CB 0.394 32.157 31.823 -0.099 0.000 0.958 361 V HN -0.159 7.972 8.190 -0.097 0.000 0.481 362 T N 2.322 116.919 114.554 0.071 0.000 2.810 362 T HA 0.032 4.474 4.350 0.153 0.000 0.277 362 T C 0.688 175.373 174.700 -0.024 0.000 0.973 362 T CA -2.022 60.123 62.100 0.075 0.000 0.949 362 T CB 1.901 70.810 68.868 0.069 0.000 1.075 362 T HN -0.361 7.911 8.240 0.053 0.000 0.537 363 N N 1.311 120.003 118.700 -0.013 0.000 2.069 363 N HA -0.346 4.342 4.740 -0.088 0.000 0.191 363 N C 2.089 177.558 175.510 -0.068 0.000 1.031 363 N CA 4.144 57.165 53.050 -0.048 0.000 0.852 363 N CB -0.465 38.017 38.487 -0.009 0.000 1.018 363 N HN 0.381 8.777 8.380 0.026 0.000 0.423 364 S N -0.825 114.852 115.700 -0.039 0.000 2.368 364 S HA -0.252 4.194 4.470 -0.040 0.000 0.225 364 S C 1.963 176.530 174.600 -0.055 0.000 1.030 364 S CA 2.849 61.026 58.200 -0.039 0.000 0.999 364 S CB -0.318 62.871 63.200 -0.018 0.000 0.844 364 S HN 0.000 8.299 8.310 -0.019 0.000 0.459 365 I N 2.778 123.317 120.570 -0.052 0.000 2.315 365 I HA -0.411 3.735 4.170 -0.039 0.000 0.248 365 I C 1.834 177.886 176.117 -0.109 0.000 1.117 365 I CA 3.333 64.599 61.300 -0.056 0.000 1.404 365 I CB -0.142 37.839 38.000 -0.032 0.000 1.071 365 I HN -0.752 7.365 8.210 -0.037 0.071 0.419 366 T N 1.813 116.257 114.554 -0.183 0.000 2.788 366 T HA -0.459 3.710 4.350 -0.302 0.000 0.268 366 T C 2.031 176.525 174.700 -0.342 0.000 1.044 366 T CA 5.146 67.043 62.100 -0.339 0.000 1.139 366 T CB -0.491 68.056 68.868 -0.535 0.000 0.867 366 T HN 0.312 8.456 8.240 -0.160 0.000 0.454 367 K N 1.174 121.436 120.400 -0.230 0.000 2.025 367 K HA -0.281 3.920 4.320 -0.198 0.000 0.207 367 K C 2.296 178.838 176.600 -0.097 0.000 1.049 367 K CA 3.540 59.733 56.287 -0.157 0.000 0.933 367 K CB -0.086 32.363 32.500 -0.086 0.000 0.714 367 K HN -0.656 7.384 8.250 -0.185 0.100 0.438 368 K N -1.027 119.330 120.400 -0.072 0.000 2.147 368 K HA -0.245 4.059 4.320 -0.027 0.000 0.205 368 K C 2.454 179.034 176.600 -0.034 0.000 1.049 368 K CA 2.583 58.847 56.287 -0.038 0.000 0.936 368 K CB -0.478 32.009 32.500 -0.021 0.000 0.722 368 K HN -0.596 7.607 8.250 -0.078 0.000 0.446 369 R N -1.357 119.113 120.500 -0.049 0.000 2.073 369 R HA -0.372 3.957 4.340 -0.019 0.000 0.234 369 R C 2.298 178.589 176.300 -0.016 0.000 1.134 369 R CA 3.691 59.775 56.100 -0.026 0.000 0.952 369 R CB -0.156 30.138 30.300 -0.010 0.000 0.850 369 R HN -0.011 8.113 8.270 -0.078 0.099 0.433 370 K N -1.546 118.859 120.400 0.007 0.000 2.097 370 K HA -0.273 4.137 4.320 0.150 0.000 0.206 370 K C 2.355 178.960 176.600 0.007 0.000 1.049 370 K CA 3.021 59.347 56.287 0.065 0.000 0.933 370 K CB -0.588 31.939 32.500 0.045 0.000 0.717 370 K HN -0.530 7.686 8.250 -0.057 0.000 0.442 371 E N 0.185 120.378 120.200 -0.011 0.000 2.047 371 E HA -0.304 4.045 4.350 -0.002 0.000 0.191 371 E C 1.935 178.528 176.600 -0.013 0.000 0.987 371 E CA 3.561 59.956 56.400 -0.009 0.000 0.799 371 E CB -0.158 29.537 29.700 -0.008 0.000 0.752 371 E HN -0.603 7.641 8.360 -0.023 0.102 0.449 372 D N 0.222 120.612 120.400 -0.017 0.000 2.149 372 D HA -0.237 4.405 4.640 0.004 0.000 0.198 372 D C 2.385 178.669 176.300 -0.027 0.000 0.990 372 D CA 3.204 57.199 54.000 -0.010 0.000 0.839 372 D CB 0.155 40.956 40.800 0.001 0.000 0.948 372 D HN -0.014 8.345 8.370 -0.018 0.000 0.460 373 L N -1.468 119.697 121.223 -0.096 0.000 2.083 373 L HA -0.294 3.894 4.340 -0.254 0.000 0.209 373 L C 1.651 178.475 176.870 -0.076 0.000 1.083 373 L CA 3.310 58.032 54.840 -0.196 0.000 0.752 373 L CB -0.747 41.096 42.059 -0.361 0.000 0.899 373 L HN -0.285 7.873 8.230 -0.092 0.016 0.433 374 N N -1.119 117.562 118.700 -0.032 0.000 2.244 374 N HA -0.253 4.561 4.740 0.016 -0.064 0.183 374 N C 2.077 177.597 175.510 0.017 0.000 1.016 374 N CA 2.926 55.979 53.050 0.004 0.000 0.866 374 N CB -0.223 38.267 38.487 0.005 0.000 0.980 374 N HN -0.535 7.717 8.380 -0.036 0.107 0.430 375 I N -0.009 120.568 120.570 0.012 0.000 2.406 375 I HA -0.347 3.814 4.170 -0.015 0.000 0.249 375 I C 1.650 177.766 176.117 -0.001 0.000 1.122 375 I CA 1.993 63.291 61.300 -0.003 0.000 1.431 375 I CB -1.174 36.817 38.000 -0.014 0.000 1.087 375 I HN -0.665 7.432 8.210 0.006 0.116 0.424 376 Y N 1.398 121.632 120.300 -0.110 0.000 2.163 376 Y HA -0.381 4.077 4.550 -0.152 0.000 0.288 376 Y C 1.511 177.360 175.900 -0.085 0.000 1.136 376 Y CA 3.734 61.759 58.100 -0.125 0.000 1.147 376 Y CB 0.215 38.592 38.460 -0.138 0.000 0.987 376 Y HN 0.130 8.380 8.280 0.124 0.105 0.509 377 V N -3.791 116.289 119.914 0.277 0.000 2.358 377 V HA -0.459 3.833 4.120 0.287 0.000 0.246 377 V C 1.648 177.809 176.094 0.112 0.000 1.047 377 V CA 3.597 66.046 62.300 0.249 0.000 1.035 377 V CB -0.737 31.265 31.823 0.299 0.000 0.658 377 V HN -0.218 8.123 8.190 0.251 0.000 0.452 378 A N -0.043 122.805 122.820 0.046 0.000 1.972 378 A HA -0.284 4.130 4.320 -0.011 -0.100 0.219 378 A C 1.857 179.405 177.584 -0.059 0.000 1.169 378 A CA 2.787 54.817 52.037 -0.012 0.000 0.635 378 A CB -0.687 18.302 19.000 -0.020 0.000 0.810 378 A HN -0.303 7.880 8.150 0.055 0.000 0.446 379 D N -1.821 118.516 120.400 -0.105 0.000 2.144 379 D HA -0.225 4.340 4.640 -0.126 0.000 0.199 379 D C 1.172 177.366 176.300 -0.177 0.000 0.984 379 D CA 2.444 56.348 54.000 -0.160 0.000 0.834 379 D CB -0.189 40.469 40.800 -0.238 0.000 0.955 379 D HN -0.360 7.932 8.370 -0.101 0.018 0.465 380 L N -3.521 117.593 121.223 -0.182 0.000 2.012 380 L HA -0.244 3.955 4.340 -0.235 0.000 0.210 380 L C 2.307 179.118 176.870 -0.098 0.000 1.073 380 L CA 2.261 57.005 54.840 -0.161 0.000 0.748 380 L CB 0.127 42.137 42.059 -0.082 0.000 0.891 380 L HN -0.808 7.206 8.230 -0.179 0.109 0.431 381 V N -8.168 111.715 119.914 -0.052 0.000 2.809 381 V HA -0.276 3.824 4.120 -0.034 0.000 0.256 381 V C 0.581 176.634 176.094 -0.069 0.000 1.080 381 V CA 2.640 64.910 62.300 -0.050 0.000 1.102 381 V CB -0.210 31.576 31.823 -0.061 0.000 0.705 381 V HN -0.857 7.313 8.190 -0.034 0.000 0.475 382 N N -1.428 117.222 118.700 -0.083 0.000 2.295 382 N HA -0.020 4.679 4.740 -0.070 0.000 0.221 382 N C -0.720 174.728 175.510 -0.102 0.000 1.129 382 N CA -0.060 52.941 53.050 -0.082 0.000 0.836 382 N CB 0.494 38.936 38.487 -0.074 0.000 1.040 382 N HN -0.606 7.567 8.380 -0.090 0.153 0.494 383 L N 1.349 122.497 121.223 -0.125 0.000 2.350 383 L HA 0.336 4.583 4.340 -0.155 0.000 0.275 383 L C -0.753 176.027 176.870 -0.149 0.000 1.099 383 L CA -2.272 52.472 54.840 -0.160 0.000 0.808 383 L CB -0.375 41.551 42.059 -0.221 0.000 1.149 383 L HN -0.872 7.183 8.230 -0.118 0.104 0.442 384 P HA -0.059 4.278 4.420 -0.138 0.000 0.230 384 P C -1.172 176.012 177.300 -0.193 0.000 1.158 384 P CA 0.863 63.864 63.100 -0.164 0.000 0.769 384 P CB 0.266 31.861 31.700 -0.175 0.000 0.807 385 D N -1.503 118.750 120.400 -0.245 0.000 2.549 385 D HA 0.125 4.572 4.640 -0.321 0.000 0.270 385 D C 0.007 176.148 176.300 -0.264 0.000 1.181 385 D CA -1.021 52.766 54.000 -0.355 0.000 1.070 385 D CB 2.508 42.992 40.800 -0.526 0.000 1.154 385 D HN -0.584 7.573 8.370 -0.246 0.065 0.602 386 Y N -2.868 117.411 120.300 -0.036 0.000 2.477 386 Y HA 0.106 4.639 4.550 -0.028 0.000 0.303 386 Y C 1.072 176.961 175.900 -0.019 0.000 1.202 386 Y CA -0.499 57.593 58.100 -0.013 0.000 1.282 386 Y CB -1.087 37.387 38.460 0.023 0.000 1.071 386 Y HN 0.198 7.801 8.280 -1.128 0.000 0.510 387 I N 2.187 122.708 120.570 -0.081 0.000 2.335 387 I HA -0.552 3.600 4.170 -0.031 0.000 0.251 387 I C 1.891 177.973 176.117 -0.059 0.000 1.129 387 I CA 3.013 64.187 61.300 -0.210 0.000 1.402 387 I CB -0.629 36.939 38.000 -0.719 0.000 1.069 387 I HN -0.348 7.564 8.210 -0.308 0.113 0.424 388 S N 1.236 116.908 115.700 -0.046 0.000 2.368 388 S HA -0.414 4.081 4.470 -0.005 -0.027 0.226 388 S C 0.758 175.415 174.600 0.094 0.000 1.044 388 S CA 3.349 61.554 58.200 0.008 0.000 1.062 388 S CB -0.261 62.933 63.200 -0.010 0.000 0.931 388 S HN -0.206 8.038 8.310 -0.081 0.018 0.440 389 R N -2.109 118.455 120.500 0.106 0.000 2.320 389 R HA -0.015 4.413 4.340 0.146 0.000 0.211 389 R C 0.201 176.586 176.300 0.141 0.000 0.931 389 R CA -0.739 55.431 56.100 0.117 0.000 1.071 389 R CB -0.372 29.966 30.300 0.062 0.000 1.025 389 R HN -0.718 7.612 8.270 0.100 0.000 0.495 390 S N 0.762 116.577 115.700 0.190 0.000 2.554 390 S HA -0.300 4.328 4.470 0.263 0.000 0.290 390 S C 0.945 175.674 174.600 0.215 0.000 1.309 390 S CA 0.301 58.650 58.200 0.247 0.000 1.047 390 S CB 1.179 64.569 63.200 0.317 0.000 0.828 390 S HN -0.037 8.117 8.310 0.164 0.255 0.509 391 E N 6.020 126.325 120.200 0.175 0.000 2.152 391 E HA -0.269 4.171 4.350 0.151 0.000 0.192 391 E C 2.140 178.846 176.600 0.176 0.000 0.983 391 E CA 3.070 59.559 56.400 0.149 0.000 0.818 391 E CB 0.012 29.762 29.700 0.083 0.000 0.758 391 E HN 0.638 9.102 8.360 0.173 0.000 0.467 392 M N -1.653 118.053 119.600 0.177 0.000 2.099 392 M HA -0.264 4.283 4.480 0.112 0.000 0.262 392 M C 1.707 178.086 176.300 0.131 0.000 1.067 392 M CA 3.684 59.073 55.300 0.148 0.000 1.124 392 M CB 0.237 32.941 32.600 0.174 0.000 1.353 392 M HN -0.684 7.709 8.290 0.208 0.021 0.410 393 V N -2.341 117.671 119.914 0.163 0.000 2.453 393 V HA -0.298 3.847 4.120 0.040 0.000 0.247 393 V C 2.009 178.175 176.094 0.120 0.000 1.048 393 V CA 2.459 64.829 62.300 0.117 0.000 1.049 393 V CB -0.126 31.799 31.823 0.170 0.000 0.672 393 V HN -0.657 7.656 8.190 0.204 0.000 0.457 394 H N 1.116 120.277 119.070 0.152 0.000 2.421 394 H HA -0.254 4.535 4.556 0.388 0.000 0.298 394 H C 2.392 177.791 175.328 0.117 0.000 1.087 394 H CA 4.037 60.209 56.048 0.207 0.000 1.330 394 H CB 0.029 29.886 29.762 0.159 0.000 1.388 394 H HN 0.124 8.601 8.280 0.329 0.000 0.526 395 S N -1.113 114.643 115.700 0.094 0.000 2.469 395 S HA -0.268 4.223 4.470 0.035 0.000 0.238 395 S C 1.111 175.659 174.600 -0.085 0.000 0.998 395 S CA 2.794 61.005 58.200 0.019 0.000 0.957 395 S CB -0.016 63.216 63.200 0.054 0.000 0.764 395 S HN -0.410 7.979 8.310 0.165 0.019 0.514 396 L N 0.211 121.314 121.223 -0.200 0.000 2.179 396 L HA -0.058 4.177 4.340 -0.174 0.000 0.208 396 L C 0.147 176.780 176.870 -0.395 0.000 1.096 396 L CA 2.034 56.670 54.840 -0.340 0.000 0.779 396 L CB 0.653 42.386 42.059 -0.543 0.000 0.922 396 L HN -0.595 7.340 8.230 -0.187 0.183 0.443 397 F N -1.050 118.855 119.950 -0.076 0.000 2.894 397 F HA 0.096 4.601 4.527 -0.036 0.000 0.310 397 F C -1.639 174.058 175.800 -0.171 0.000 1.204 397 F CA -1.205 56.732 58.000 -0.104 0.000 1.290 397 F CB -1.714 37.218 39.000 -0.114 0.000 1.317 397 F HN -0.689 7.305 8.300 -0.335 0.105 0.545 398 V N -5.464 114.445 119.914 -0.009 0.000 3.147 398 V HA 0.311 4.431 4.120 -0.001 0.000 0.299 398 V C -1.794 174.302 176.094 0.005 0.000 1.302 398 V CA -2.170 60.118 62.300 -0.021 0.000 1.015 398 V CB 3.899 35.685 31.823 -0.063 0.000 1.086 398 V HN -0.739 7.358 8.190 -0.023 0.079 0.437 399 V N -0.553 119.369 119.914 0.014 0.000 2.405 399 V HA 0.124 4.251 4.120 0.012 0.000 0.264 399 V C -0.680 175.419 176.094 0.008 0.000 1.048 399 V CA -0.191 62.117 62.300 0.013 0.000 0.966 399 V CB -0.005 31.827 31.823 0.014 0.000 1.015 399 V HN -0.044 8.157 8.190 0.018 0.000 0.477 400 L N 7.495 128.719 121.223 0.002 0.000 2.315 400 L HA -0.007 4.338 4.340 0.009 0.000 0.283 400 L C 0.593 177.464 176.870 0.002 0.000 1.089 400 L CA -0.567 54.274 54.840 0.003 0.000 0.833 400 L CB -0.146 41.912 42.059 -0.003 0.000 1.170 400 L HN 0.246 8.474 8.230 -0.003 0.000 0.442 401 N N 2.557 121.261 118.700 0.006 0.000 2.701 401 N HA -0.336 4.408 4.740 0.007 0.000 0.252 401 N C -1.399 174.110 175.510 -0.000 0.000 1.002 401 N CA 1.078 54.131 53.050 0.005 0.000 0.758 401 N CB -0.917 37.573 38.487 0.005 0.000 0.937 401 N HN 0.439 8.825 8.380 0.010 0.000 0.538 402 N N 0.000 118.699 118.700 -0.001 0.000 1.763 402 N HA 0.000 4.733 4.740 -0.012 0.000 0.220 402 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 402 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 402 N HN 0.000 8.370 8.380 0.002 0.012 0.667