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 3ook_1_C DATA FIRST_RESID 247 DATA SEQUENCE MELTPDQQTL LHFIMDSYNK QRMPQEITNK ILKEAFSAEE NFLILTEMAT DATA SEQUENCE NHVQVLVEFT KKLPGFQTLD HEDQIALLKG SAVEAMFLRS AEIFNKKLPS DATA SEQUENCE GHSDLLEARI RNSGISDEYI TPMFSFYKSI GELKMTQEEY ALLTAIVILS DATA SEQUENCE PDRQYIKDRE AVEKLQEPLL DVLQKLCKIH QPENPQHFAC LLGRLTELRT DATA SEQUENCE FNHHHAEMLM SWRVNDHKFT PLLCEIWDVQ 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 247 M HA 0.000 nan 4.480 nan 0.000 0.227 247 M C 0.000 176.279 176.300 -0.034 0.000 1.140 247 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 247 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 248 E N 3.008 123.190 120.200 -0.029 0.000 2.404 248 E HA 0.426 4.774 4.350 -0.003 0.000 0.261 248 E C -0.844 175.742 176.600 -0.024 0.000 1.074 248 E CA -0.509 55.876 56.400 -0.026 0.000 0.917 248 E CB 0.500 30.188 29.700 -0.021 0.000 0.965 248 E HN 0.587 nan 8.360 nan 0.000 0.433 249 L N 1.800 123.012 121.223 -0.019 0.000 2.439 249 L HA 0.088 4.426 4.340 -0.003 0.000 0.269 249 L C 0.856 177.714 176.870 -0.020 0.000 1.179 249 L CA 0.151 54.977 54.840 -0.022 0.000 0.828 249 L CB 0.409 42.454 42.059 -0.022 0.000 1.106 249 L HN 0.597 nan 8.230 nan 0.000 0.467 250 T N -0.543 113.997 114.554 -0.024 0.000 2.904 250 T HA 0.274 4.622 4.350 -0.003 0.000 0.290 250 T C -1.688 173.000 174.700 -0.021 0.000 1.018 250 T CA -1.698 60.391 62.100 -0.019 0.000 1.075 250 T CB 1.078 69.934 68.868 -0.020 0.000 0.986 250 T HN 0.484 nan 8.240 nan 0.000 0.523 251 P HA -0.116 nan 4.420 nan 0.000 0.220 251 P C 0.453 177.741 177.300 -0.019 0.000 1.144 251 P CA 1.175 64.271 63.100 -0.007 0.000 0.800 251 P CB -0.010 31.692 31.700 0.005 0.000 0.772 252 D N -0.377 120.008 120.400 -0.025 0.000 2.103 252 D HA -0.131 4.507 4.640 -0.003 0.000 0.199 252 D C 2.283 178.555 176.300 -0.047 0.000 0.978 252 D CA 1.016 54.996 54.000 -0.034 0.000 0.829 252 D CB -0.534 40.248 40.800 -0.031 0.000 0.981 252 D HN 0.266 nan 8.370 nan 0.000 0.464 253 Q N -0.079 119.693 119.800 -0.047 0.000 2.119 253 Q HA -0.175 4.163 4.340 -0.003 0.000 0.201 253 Q C 2.028 177.970 176.000 -0.096 0.000 0.972 253 Q CA 0.877 56.648 55.803 -0.053 0.000 0.847 253 Q CB -0.015 28.698 28.738 -0.040 0.000 0.903 253 Q HN 0.171 nan 8.270 nan 0.000 0.433 254 Q N 0.245 119.971 119.800 -0.123 0.000 2.084 254 Q HA -0.133 4.205 4.340 -0.003 0.000 0.202 254 Q C 1.866 177.615 176.000 -0.419 0.000 0.978 254 Q CA 2.034 57.679 55.803 -0.263 0.000 0.844 254 Q CB -0.233 28.428 28.738 -0.129 0.000 0.898 254 Q HN 0.273 nan 8.270 nan 0.000 0.426 255 T N 0.775 115.237 114.554 -0.153 0.000 2.746 255 T HA -0.136 4.213 4.350 -0.003 0.000 0.267 255 T C 1.601 176.299 174.700 -0.004 0.000 1.039 255 T CA 1.210 63.291 62.100 -0.031 0.000 1.142 255 T CB -0.358 68.509 68.868 -0.002 0.000 0.866 255 T HN 0.279 nan 8.240 nan 0.000 0.444 256 L N 1.044 122.245 121.223 -0.037 0.000 2.017 256 L HA 0.067 4.405 4.340 -0.003 0.000 0.208 256 L C 2.187 179.106 176.870 0.080 0.000 1.073 256 L CA 1.466 56.318 54.840 0.020 0.000 0.745 256 L CB -0.835 41.216 42.059 -0.013 0.000 0.894 256 L HN 0.160 nan 8.230 nan 0.000 0.432 257 L N -0.649 120.554 121.223 -0.033 0.000 2.012 257 L HA -0.243 4.096 4.340 -0.003 0.000 0.210 257 L C 2.600 179.508 176.870 0.062 0.000 1.073 257 L CA 1.901 56.724 54.840 -0.027 0.000 0.748 257 L CB -0.967 41.020 42.059 -0.119 0.000 0.891 257 L HN 0.416 nan 8.230 nan 0.000 0.431 258 H N -1.533 117.613 119.070 0.127 0.000 2.387 258 H HA -0.171 4.384 4.556 -0.002 0.000 0.299 258 H C 2.048 177.467 175.328 0.152 0.000 1.090 258 H CA 1.752 57.874 56.048 0.123 0.000 1.332 258 H CB -0.808 29.019 29.762 0.109 0.000 1.386 258 H HN 0.468 nan 8.280 nan 0.000 0.516 259 F N 1.385 121.417 119.950 0.136 0.000 2.134 259 F HA -0.163 4.363 4.527 -0.002 0.000 0.299 259 F C 2.160 178.000 175.800 0.067 0.000 1.097 259 F CA 0.856 58.903 58.000 0.079 0.000 1.264 259 F CB -0.189 38.830 39.000 0.032 0.000 1.001 259 F HN -0.039 nan 8.300 nan 0.000 0.479 260 I N -0.211 120.444 120.570 0.142 0.000 2.252 260 I HA -0.266 3.902 4.170 -0.003 0.000 0.245 260 I C 2.249 178.472 176.117 0.177 0.000 1.102 260 I CA 1.080 62.429 61.300 0.081 0.000 1.385 260 I CB -1.166 36.913 38.000 0.133 0.000 1.064 260 I HN 0.223 nan 8.210 nan 0.000 0.414 261 M N 0.638 120.341 119.600 0.172 0.000 2.086 261 M HA -0.185 4.294 4.480 -0.003 0.000 0.261 261 M C 1.907 178.311 176.300 0.172 0.000 1.067 261 M CA 1.634 57.054 55.300 0.200 0.000 1.116 261 M CB -1.418 31.295 32.600 0.189 0.000 1.348 261 M HN 0.160 nan 8.290 nan 0.000 0.407 262 D N 0.034 120.482 120.400 0.081 0.000 2.123 262 D HA -0.096 4.543 4.640 -0.003 0.000 0.196 262 D C 2.101 178.395 176.300 -0.011 0.000 0.992 262 D CA 1.485 55.494 54.000 0.015 0.000 0.833 262 D CB -0.296 40.486 40.800 -0.030 0.000 0.954 262 D HN 0.274 nan 8.370 nan 0.000 0.455 263 S N -0.289 115.375 115.700 -0.061 0.000 2.368 263 S HA -0.168 4.300 4.470 -0.003 0.000 0.224 263 S C 1.874 176.650 174.600 0.295 0.000 1.029 263 S CA 0.508 58.712 58.200 0.006 0.000 0.988 263 S CB -0.405 62.680 63.200 -0.193 0.000 0.838 263 S HN 0.323 nan 8.310 nan 0.000 0.462 264 Y N 2.855 123.313 120.300 0.264 0.000 2.314 264 Y HA 0.019 4.568 4.550 -0.002 0.000 0.293 264 Y C 1.883 177.786 175.900 0.004 0.000 1.129 264 Y CA 0.903 59.070 58.100 0.111 0.000 1.201 264 Y CB -0.308 38.219 38.460 0.113 0.000 0.999 264 Y HN 0.161 nan 8.280 nan 0.000 0.541 265 N N 0.197 118.951 118.700 0.090 0.000 2.453 265 N HA -0.121 4.618 4.740 -0.003 0.000 0.183 265 N C 1.256 176.725 175.510 -0.068 0.000 1.041 265 N CA 0.766 53.815 53.050 -0.002 0.000 0.900 265 N CB -0.125 38.389 38.487 0.045 0.000 0.961 265 N HN 0.289 nan 8.380 nan 0.000 0.443 266 K N 1.075 121.436 120.400 -0.065 0.000 2.574 266 K HA -0.017 4.301 4.320 -0.003 0.000 0.193 266 K C 0.685 177.212 176.600 -0.121 0.000 1.035 266 K CA 0.298 56.540 56.287 -0.076 0.000 0.982 266 K CB -0.060 32.408 32.500 -0.053 0.000 0.795 266 K HN 0.489 nan 8.250 nan 0.000 0.491 267 Q N 0.715 120.399 119.800 -0.193 0.000 2.471 267 Q HA 0.074 4.412 4.340 -0.003 0.000 0.223 267 Q C 0.154 176.059 176.000 -0.157 0.000 1.045 267 Q CA -0.216 55.451 55.803 -0.226 0.000 0.956 267 Q CB 0.583 29.093 28.738 -0.381 0.000 1.249 267 Q HN 0.061 nan 8.270 nan 0.000 0.549 268 R N 1.274 121.693 120.500 -0.135 0.000 2.449 268 R HA 0.040 4.379 4.340 -0.003 0.000 0.296 268 R C -0.310 175.930 176.300 -0.100 0.000 1.047 268 R CA -0.244 55.796 56.100 -0.100 0.000 1.018 268 R CB 0.344 30.593 30.300 -0.084 0.000 0.962 268 R HN 0.509 nan 8.270 nan 0.000 0.428 269 M N 7.539 127.093 119.600 -0.077 0.000 2.260 269 M HA 0.075 4.553 4.480 -0.003 0.000 0.348 269 M C -1.844 174.419 176.300 -0.061 0.000 1.342 269 M CA -1.280 53.981 55.300 -0.065 0.000 1.040 269 M CB 1.133 33.706 32.600 -0.044 0.000 1.810 269 M HN 0.545 nan 8.290 nan 0.000 0.453 270 P HA -0.173 nan 4.420 nan 0.000 0.219 270 P C 0.807 178.087 177.300 -0.033 0.000 1.146 270 P CA 1.278 64.343 63.100 -0.058 0.000 0.808 270 P CB 0.056 31.718 31.700 -0.064 0.000 0.779 271 Q N -0.171 119.614 119.800 -0.024 0.000 2.084 271 Q HA -0.196 4.142 4.340 -0.003 0.000 0.202 271 Q C 2.102 178.103 176.000 0.002 0.000 0.978 271 Q CA 1.406 57.204 55.803 -0.007 0.000 0.844 271 Q CB -0.329 28.405 28.738 -0.007 0.000 0.898 271 Q HN 0.303 nan 8.270 nan 0.000 0.426 272 E N -0.086 120.108 120.200 -0.009 0.000 2.130 272 E HA -0.233 4.116 4.350 -0.003 0.000 0.196 272 E C 1.807 178.408 176.600 0.001 0.000 0.998 272 E CA 1.409 57.805 56.400 -0.006 0.000 0.806 272 E CB -0.107 29.579 29.700 -0.023 0.000 0.738 272 E HN 0.419 nan 8.360 nan 0.000 0.459 273 I N 0.466 121.032 120.570 -0.007 0.000 2.206 273 I HA -0.227 3.941 4.170 -0.003 0.000 0.239 273 I C 2.819 178.958 176.117 0.036 0.000 1.078 273 I CA 1.541 62.841 61.300 -0.000 0.000 1.367 273 I CB -0.686 37.299 38.000 -0.026 0.000 1.078 273 I HN 0.171 nan 8.210 nan 0.000 0.413 274 T N -0.893 113.684 114.554 0.037 0.000 2.737 274 T HA -0.122 4.227 4.350 -0.003 0.000 0.265 274 T C 1.805 176.553 174.700 0.081 0.000 1.038 274 T CA 1.427 63.565 62.100 0.063 0.000 1.144 274 T CB -0.642 68.254 68.868 0.048 0.000 0.866 274 T HN 0.148 nan 8.240 nan 0.000 0.434 275 N N 1.870 120.610 118.700 0.068 0.000 2.061 275 N HA -0.111 4.627 4.740 -0.003 0.000 0.193 275 N C 1.776 177.343 175.510 0.094 0.000 1.030 275 N CA 1.784 54.878 53.050 0.074 0.000 0.856 275 N CB -0.486 38.034 38.487 0.055 0.000 1.023 275 N HN 0.560 nan 8.380 nan 0.000 0.424 276 K N 0.961 121.426 120.400 0.109 0.000 2.032 276 K HA 0.019 4.337 4.320 -0.003 0.000 0.209 276 K C 1.944 178.718 176.600 0.290 0.000 1.048 276 K CA 1.006 57.401 56.287 0.180 0.000 0.927 276 K CB -0.362 32.211 32.500 0.123 0.000 0.712 276 K HN 0.157 nan 8.250 nan 0.000 0.441 277 I N 0.449 121.151 120.570 0.221 0.000 2.226 277 I HA -0.266 3.902 4.170 -0.003 0.000 0.245 277 I C 2.047 178.267 176.117 0.171 0.000 1.100 277 I CA 1.161 62.609 61.300 0.247 0.000 1.374 277 I CB -0.165 37.949 38.000 0.189 0.000 1.057 277 I HN 0.150 nan 8.210 nan 0.000 0.413 278 L N 0.130 121.417 121.223 0.107 0.000 2.179 278 L HA -0.143 4.196 4.340 -0.003 0.000 0.208 278 L C 2.552 179.418 176.870 -0.007 0.000 1.096 278 L CA 1.008 55.869 54.840 0.036 0.000 0.779 278 L CB -0.508 41.567 42.059 0.026 0.000 0.922 278 L HN 0.153 nan 8.230 nan 0.000 0.443 279 K N 0.436 120.845 120.400 0.015 0.000 2.057 279 K HA -0.086 4.233 4.320 -0.003 0.000 0.207 279 K C 0.083 176.619 176.600 -0.107 0.000 1.049 279 K CA 1.201 57.474 56.287 -0.023 0.000 0.931 279 K CB 0.293 32.805 32.500 0.020 0.000 0.714 279 K HN 0.313 nan 8.250 nan 0.000 0.440 280 E N -1.338 118.735 120.200 -0.212 0.000 2.367 280 E HA 0.407 4.755 4.350 -0.003 0.000 0.273 280 E C -1.751 174.540 176.600 -0.515 0.000 0.903 280 E CA -0.804 55.323 56.400 -0.454 0.000 0.764 280 E CB 2.055 31.262 29.700 -0.821 0.000 1.252 280 E HN 0.198 nan 8.360 nan 0.000 0.446 281 A N 2.291 124.882 122.820 -0.381 0.000 2.320 281 A HA 0.589 4.907 4.320 -0.003 0.000 0.287 281 A C -1.137 176.277 177.584 -0.283 0.000 1.181 281 A CA -0.104 51.812 52.037 -0.201 0.000 0.831 281 A CB -0.126 18.819 19.000 -0.092 0.000 1.102 281 A HN 0.434 nan 8.150 nan 0.000 0.513 282 F N 0.885 120.874 119.950 0.066 0.000 2.541 282 F HA 0.542 5.067 4.527 -0.003 0.000 0.331 282 F C 1.200 177.053 175.800 0.088 0.000 1.057 282 F CA -0.160 57.885 58.000 0.074 0.000 0.975 282 F CB 1.868 40.921 39.000 0.089 0.000 1.246 282 F HN 0.669 nan 8.300 nan 0.000 0.484 283 S N 0.550 116.434 115.700 0.307 0.000 2.634 283 S HA 0.514 4.982 4.470 -0.003 0.000 0.261 283 S C 0.979 175.731 174.600 0.254 0.000 1.271 283 S CA -0.212 58.115 58.200 0.211 0.000 0.985 283 S CB 1.150 64.444 63.200 0.157 0.000 0.968 283 S HN 0.818 nan 8.310 nan 0.000 0.568 284 A N 0.528 123.487 122.820 0.233 0.000 1.972 284 A HA -0.055 4.264 4.320 -0.003 0.000 0.219 284 A C 2.142 179.969 177.584 0.406 0.000 1.169 284 A CA 1.216 53.471 52.037 0.363 0.000 0.635 284 A CB -0.819 18.334 19.000 0.255 0.000 0.810 284 A HN 0.881 nan 8.150 nan 0.000 0.446 285 E N -0.079 120.251 120.200 0.217 0.000 2.152 285 E HA -0.163 4.186 4.350 -0.003 0.000 0.192 285 E C 1.808 178.481 176.600 0.122 0.000 0.983 285 E CA 1.145 57.623 56.400 0.129 0.000 0.818 285 E CB -0.191 29.539 29.700 0.051 0.000 0.758 285 E HN 0.774 nan 8.360 nan 0.000 0.467 286 E N 0.723 121.000 120.200 0.129 0.000 2.046 286 E HA -0.093 4.255 4.350 -0.003 0.000 0.190 286 E C 1.919 178.487 176.600 -0.054 0.000 0.982 286 E CA 0.495 56.920 56.400 0.041 0.000 0.800 286 E CB 0.064 29.851 29.700 0.145 0.000 0.756 286 E HN 0.126 nan 8.360 nan 0.000 0.449 287 N N 0.464 119.220 118.700 0.093 0.000 2.188 287 N HA -0.143 4.596 4.740 -0.003 0.000 0.184 287 N C 1.584 177.093 175.510 -0.002 0.000 1.018 287 N CA 0.730 53.853 53.050 0.122 0.000 0.858 287 N CB -0.305 38.430 38.487 0.412 0.000 0.989 287 N HN 0.102 nan 8.380 nan 0.000 0.426 288 F N 1.453 121.293 119.950 -0.183 0.000 2.216 288 F HA -0.017 4.509 4.527 -0.003 0.000 0.300 288 F C 2.162 177.731 175.800 -0.384 0.000 1.085 288 F CA 0.746 58.392 58.000 -0.590 0.000 1.326 288 F CB -0.164 38.493 39.000 -0.571 0.000 1.027 288 F HN -0.039 nan 8.300 nan 0.000 0.497 289 L N -0.354 120.761 121.223 -0.181 0.000 2.072 289 L HA -0.164 4.174 4.340 -0.003 0.000 0.205 289 L C 2.266 178.976 176.870 -0.266 0.000 1.079 289 L CA 1.195 55.908 54.840 -0.211 0.000 0.752 289 L CB -0.344 41.651 42.059 -0.108 0.000 0.906 289 L HN 0.126 nan 8.230 nan 0.000 0.436 290 I N -0.765 119.650 120.570 -0.259 0.000 2.226 290 I HA -0.320 3.849 4.170 -0.003 0.000 0.245 290 I C 2.396 178.367 176.117 -0.243 0.000 1.100 290 I CA 0.956 62.107 61.300 -0.247 0.000 1.374 290 I CB -0.293 37.541 38.000 -0.277 0.000 1.057 290 I HN 0.283 nan 8.210 nan 0.000 0.413 291 L N 0.914 121.947 121.223 -0.316 0.000 1.994 291 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 291 L C 2.764 179.447 176.870 -0.312 0.000 1.071 291 L CA 2.672 57.313 54.840 -0.332 0.000 0.745 291 L CB -1.108 40.627 42.059 -0.539 0.000 0.892 291 L HN 0.453 nan 8.230 nan 0.000 0.431 292 T N -3.438 110.853 114.554 -0.439 0.000 2.833 292 T HA -0.203 4.145 4.350 -0.003 0.000 0.269 292 T C 1.842 176.396 174.700 -0.244 0.000 1.054 292 T CA 1.234 63.133 62.100 -0.336 0.000 1.135 292 T CB -0.580 68.044 68.868 -0.406 0.000 0.869 292 T HN 0.501 nan 8.240 nan 0.000 0.466 293 E N 0.888 120.956 120.200 -0.220 0.000 2.072 293 E HA -0.088 4.261 4.350 -0.003 0.000 0.190 293 E C 2.207 178.718 176.600 -0.148 0.000 0.982 293 E CA 0.933 57.233 56.400 -0.168 0.000 0.803 293 E CB -0.263 29.348 29.700 -0.149 0.000 0.755 293 E HN 0.415 nan 8.360 nan 0.000 0.453 294 M N 0.429 119.940 119.600 -0.148 0.000 2.117 294 M HA -0.100 4.378 4.480 -0.003 0.000 0.262 294 M C 2.405 178.645 176.300 -0.100 0.000 1.065 294 M CA 1.489 56.719 55.300 -0.117 0.000 1.114 294 M CB -1.143 31.385 32.600 -0.121 0.000 1.361 294 M HN 0.146 nan 8.290 nan 0.000 0.408 295 A N -0.431 122.314 122.820 -0.126 0.000 1.969 295 A HA -0.099 4.219 4.320 -0.003 0.000 0.218 295 A C 2.291 179.756 177.584 -0.198 0.000 1.169 295 A CA 1.966 53.934 52.037 -0.115 0.000 0.635 295 A CB -0.948 18.008 19.000 -0.073 0.000 0.810 295 A HN 0.466 nan 8.150 nan 0.000 0.445 296 T N 0.315 114.727 114.554 -0.235 0.000 2.674 296 T HA -0.160 4.189 4.350 -0.003 0.000 0.265 296 T C 1.975 176.578 174.700 -0.161 0.000 1.039 296 T CA 1.707 63.669 62.100 -0.230 0.000 1.150 296 T CB -0.443 68.306 68.868 -0.198 0.000 0.864 296 T HN 0.681 nan 8.240 nan 0.000 0.427 297 N N 0.811 119.438 118.700 -0.122 0.000 2.149 297 N HA -0.191 4.547 4.740 -0.003 0.000 0.188 297 N C 1.819 177.271 175.510 -0.098 0.000 1.019 297 N CA 1.515 54.504 53.050 -0.102 0.000 0.857 297 N CB -0.358 38.077 38.487 -0.086 0.000 0.997 297 N HN 0.515 nan 8.380 nan 0.000 0.426 298 H N -0.244 118.733 119.070 -0.155 0.000 2.353 298 H HA -0.053 4.501 4.556 -0.003 0.000 0.300 298 H C 1.737 176.982 175.328 -0.139 0.000 1.090 298 H CA 1.721 57.680 56.048 -0.148 0.000 1.327 298 H CB -0.059 29.620 29.762 -0.138 0.000 1.383 298 H HN 0.127 nan 8.280 nan 0.000 0.508 299 V N 1.523 121.320 119.914 -0.196 0.000 2.295 299 V HA -0.290 3.828 4.120 -0.003 0.000 0.246 299 V C 2.656 178.618 176.094 -0.220 0.000 1.049 299 V CA 2.131 64.297 62.300 -0.223 0.000 1.024 299 V CB -0.670 31.030 31.823 -0.206 0.000 0.648 299 V HN 0.446 nan 8.190 nan 0.000 0.447 300 Q N -0.408 119.283 119.800 -0.181 0.000 2.096 300 Q HA -0.185 4.153 4.340 -0.003 0.000 0.204 300 Q C 2.288 178.197 176.000 -0.153 0.000 0.982 300 Q CA 1.941 57.658 55.803 -0.144 0.000 0.850 300 Q CB -0.381 28.285 28.738 -0.119 0.000 0.901 300 Q HN 0.561 nan 8.270 nan 0.000 0.422 301 V N 0.598 120.393 119.914 -0.198 0.000 2.548 301 V HA -0.196 3.922 4.120 -0.003 0.000 0.249 301 V C 2.024 177.986 176.094 -0.220 0.000 1.055 301 V CA 1.076 63.256 62.300 -0.200 0.000 1.065 301 V CB -0.374 31.315 31.823 -0.223 0.000 0.681 301 V HN 0.286 nan 8.190 nan 0.000 0.462 302 L N 0.082 121.101 121.223 -0.341 0.000 2.027 302 L HA -0.069 4.269 4.340 -0.003 0.000 0.206 302 L C 2.354 179.155 176.870 -0.114 0.000 1.074 302 L CA 1.862 56.532 54.840 -0.283 0.000 0.745 302 L CB -0.428 41.394 42.059 -0.395 0.000 0.898 302 L HN 0.131 nan 8.230 nan 0.000 0.433 303 V N -0.310 119.525 119.914 -0.131 0.000 2.407 303 V HA -0.207 3.911 4.120 -0.003 0.000 0.248 303 V C 2.638 178.675 176.094 -0.096 0.000 1.055 303 V CA 1.610 63.844 62.300 -0.110 0.000 1.049 303 V CB -0.733 31.036 31.823 -0.089 0.000 0.662 303 V HN 0.429 nan 8.190 nan 0.000 0.455 304 E N -0.341 119.818 120.200 -0.069 0.000 2.072 304 E HA -0.182 4.166 4.350 -0.003 0.000 0.191 304 E C 1.958 178.544 176.600 -0.024 0.000 0.985 304 E CA 1.276 57.648 56.400 -0.047 0.000 0.801 304 E CB -0.409 29.264 29.700 -0.045 0.000 0.750 304 E HN 0.658 nan 8.360 nan 0.000 0.452 305 F N 1.821 121.680 119.950 -0.152 0.000 2.146 305 F HA -0.181 4.345 4.527 -0.003 0.000 0.298 305 F C 2.222 177.932 175.800 -0.151 0.000 1.096 305 F CA 1.663 59.587 58.000 -0.128 0.000 1.275 305 F CB -0.304 38.642 39.000 -0.089 0.000 1.008 305 F HN -0.079 nan 8.300 nan 0.000 0.480 306 T N 0.722 115.197 114.554 -0.131 0.000 2.684 306 T HA -0.231 4.118 4.350 -0.003 0.000 0.267 306 T C 1.902 176.249 174.700 -0.588 0.000 1.036 306 T CA 1.938 63.757 62.100 -0.469 0.000 1.148 306 T CB -0.312 68.217 68.868 -0.564 0.000 0.863 306 T HN 0.239 nan 8.240 nan 0.000 0.436 307 K N 0.847 121.057 120.400 -0.317 0.000 2.103 307 K HA -0.084 4.234 4.320 -0.003 0.000 0.207 307 K C 2.251 178.862 176.600 0.017 0.000 1.048 307 K CA 1.220 57.480 56.287 -0.045 0.000 0.930 307 K CB -0.070 32.427 32.500 -0.005 0.000 0.716 307 K HN 0.286 nan 8.250 nan 0.000 0.444 308 K N 0.560 120.920 120.400 -0.068 0.000 2.432 308 K HA 0.054 4.372 4.320 -0.003 0.000 0.196 308 K C 0.198 176.858 176.600 0.101 0.000 1.038 308 K CA 0.103 56.406 56.287 0.026 0.000 0.986 308 K CB 0.033 32.424 32.500 -0.181 0.000 0.782 308 K HN 0.074 nan 8.250 nan 0.000 0.485 309 L N 3.129 124.299 121.223 -0.088 0.000 2.513 309 L HA 0.065 4.404 4.340 -0.003 0.000 0.272 309 L C -2.206 174.730 176.870 0.111 0.000 1.187 309 L CA -1.914 52.903 54.840 -0.038 0.000 0.895 309 L CB -0.161 41.829 42.059 -0.116 0.000 1.147 309 L HN -0.207 nan 8.230 nan 0.000 0.483 310 P HA -0.017 nan 4.420 nan 0.000 0.260 310 P C 0.835 178.179 177.300 0.073 0.000 1.185 310 P CA 0.852 63.980 63.100 0.047 0.000 0.763 310 P CB 0.627 32.321 31.700 -0.011 0.000 0.776 311 G N 2.985 111.826 108.800 0.068 0.000 2.184 311 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.264 311 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.264 311 G C 0.820 175.768 174.900 0.081 0.000 0.975 311 G CA 0.237 45.372 45.100 0.058 0.000 0.642 311 G HN 0.504 nan 8.290 nan 0.000 0.536 312 F N 1.417 121.375 119.950 0.013 0.000 2.126 312 F HA -0.105 4.420 4.527 -0.004 0.000 0.299 312 F C 2.710 178.523 175.800 0.021 0.000 1.096 312 F CA 2.628 60.638 58.000 0.017 0.000 1.255 312 F CB 0.020 39.025 39.000 0.008 0.000 0.997 312 F HN 0.309 nan 8.300 nan 0.000 0.479 313 Q N -0.535 119.331 119.800 0.111 0.000 2.364 313 Q HA -0.143 4.195 4.340 -0.003 0.000 0.207 313 Q C 2.173 178.167 176.000 -0.011 0.000 0.970 313 Q CA 1.727 57.559 55.803 0.048 0.000 0.888 313 Q CB -0.767 28.038 28.738 0.112 0.000 0.951 313 Q HN 0.603 nan 8.270 nan 0.000 0.469 314 T N -2.215 112.321 114.554 -0.030 0.000 3.067 314 T HA 0.104 4.453 4.350 -0.003 0.000 0.261 314 T C 1.104 175.770 174.700 -0.058 0.000 1.110 314 T CA -0.087 61.998 62.100 -0.026 0.000 1.113 314 T CB -0.108 68.751 68.868 -0.015 0.000 0.917 314 T HN -0.005 nan 8.240 nan 0.000 0.499 315 L N 2.025 123.162 121.223 -0.143 0.000 2.473 315 L HA 0.292 4.630 4.340 -0.003 0.000 0.268 315 L C 0.616 177.440 176.870 -0.077 0.000 1.215 315 L CA -0.598 54.143 54.840 -0.164 0.000 0.823 315 L CB 0.077 41.926 42.059 -0.349 0.000 1.099 315 L HN 0.232 nan 8.230 nan 0.000 0.483 316 D N -0.326 120.046 120.400 -0.047 0.000 2.488 316 D HA -0.073 4.565 4.640 -0.003 0.000 0.238 316 D C 1.295 177.638 176.300 0.073 0.000 1.138 316 D CA 0.436 54.441 54.000 0.009 0.000 0.873 316 D CB 0.585 41.381 40.800 -0.007 0.000 1.183 316 D HN 0.420 nan 8.370 nan 0.000 0.458 317 H N 2.390 121.417 119.070 -0.072 0.000 2.319 317 H HA -0.151 4.403 4.556 -0.003 0.000 0.299 317 H C 1.644 176.953 175.328 -0.033 0.000 1.092 317 H CA 1.473 57.489 56.048 -0.054 0.000 1.302 317 H CB 0.339 30.081 29.762 -0.033 0.000 1.373 317 H HN 0.688 nan 8.280 nan 0.000 0.497 318 E N 0.723 120.980 120.200 0.094 0.000 2.274 318 E HA -0.127 4.221 4.350 -0.003 0.000 0.194 318 E C 0.921 177.547 176.600 0.044 0.000 0.996 318 E CA 0.987 57.415 56.400 0.046 0.000 0.840 318 E CB 0.031 29.746 29.700 0.025 0.000 0.772 318 E HN 0.425 nan 8.360 nan 0.000 0.491 319 D N 1.447 121.868 120.400 0.034 0.000 2.162 319 D HA -0.078 4.560 4.640 -0.003 0.000 0.203 319 D C 1.999 178.315 176.300 0.026 0.000 0.967 319 D CA 0.807 54.826 54.000 0.032 0.000 0.840 319 D CB -0.068 40.734 40.800 0.003 0.000 0.972 319 D HN 0.258 nan 8.370 nan 0.000 0.482 320 Q N 0.022 119.796 119.800 -0.043 0.000 2.084 320 Q HA -0.109 4.229 4.340 -0.003 0.000 0.202 320 Q C 2.324 178.436 176.000 0.186 0.000 0.978 320 Q CA 0.870 56.663 55.803 -0.017 0.000 0.844 320 Q CB -0.008 28.622 28.738 -0.178 0.000 0.898 320 Q HN 0.344 nan 8.270 nan 0.000 0.426 321 I N 0.548 121.175 120.570 0.095 0.000 2.142 321 I HA -0.292 3.877 4.170 -0.003 0.000 0.240 321 I C 2.459 178.643 176.117 0.112 0.000 1.078 321 I CA 1.040 62.393 61.300 0.087 0.000 1.343 321 I CB -0.471 37.552 38.000 0.038 0.000 1.046 321 I HN 0.161 nan 8.210 nan 0.000 0.405 322 A N 0.750 123.640 122.820 0.117 0.000 1.948 322 A HA -0.204 4.114 4.320 -0.003 0.000 0.220 322 A C 2.318 179.996 177.584 0.157 0.000 1.177 322 A CA 1.639 53.770 52.037 0.157 0.000 0.636 322 A CB -0.906 18.200 19.000 0.177 0.000 0.815 322 A HN 0.420 nan 8.150 nan 0.000 0.449 323 L N -1.167 120.160 121.223 0.174 0.000 2.072 323 L HA -0.131 4.208 4.340 -0.003 0.000 0.205 323 L C 2.594 179.567 176.870 0.171 0.000 1.079 323 L CA 1.001 55.960 54.840 0.199 0.000 0.752 323 L CB -0.474 41.776 42.059 0.318 0.000 0.906 323 L HN 0.379 nan 8.230 nan 0.000 0.436 324 L N -0.388 120.935 121.223 0.167 0.000 2.056 324 L HA -0.208 4.131 4.340 -0.003 0.000 0.207 324 L C 2.638 179.565 176.870 0.096 0.000 1.078 324 L CA 1.359 56.260 54.840 0.103 0.000 0.749 324 L CB -0.352 41.755 42.059 0.079 0.000 0.901 324 L HN 0.191 nan 8.230 nan 0.000 0.433 325 K N -0.263 120.201 120.400 0.108 0.000 2.097 325 K HA -0.095 4.224 4.320 -0.003 0.000 0.205 325 K C 2.055 178.725 176.600 0.118 0.000 1.050 325 K CA 1.235 57.590 56.287 0.114 0.000 0.938 325 K CB -0.390 32.185 32.500 0.125 0.000 0.718 325 K HN 0.379 nan 8.250 nan 0.000 0.442 326 G N 0.553 109.425 108.800 0.120 0.000 2.484 326 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.218 326 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.218 326 G C 1.472 176.427 174.900 0.091 0.000 1.130 326 G CA 1.112 46.273 45.100 0.102 0.000 0.784 326 G HN 0.412 nan 8.290 nan 0.000 0.543 327 S N -0.458 115.304 115.700 0.102 0.000 2.524 327 S HA 0.504 4.972 4.470 -0.003 0.000 0.222 327 S C 2.430 177.104 174.600 0.123 0.000 1.040 327 S CA 1.042 59.307 58.200 0.109 0.000 0.915 327 S CB 0.102 63.372 63.200 0.115 0.000 0.831 327 S HN 0.444 nan 8.310 nan 0.000 0.492 328 A N 2.621 125.518 122.820 0.129 0.000 1.870 328 A HA -0.113 4.205 4.320 -0.003 0.000 0.219 328 A C 2.316 180.031 177.584 0.218 0.000 1.224 328 A CA 2.503 54.649 52.037 0.182 0.000 0.650 328 A CB -1.561 17.555 19.000 0.192 0.000 0.836 328 A HN 0.494 nan 8.150 nan 0.000 0.454 329 V N -0.140 119.854 119.914 0.133 0.000 2.287 329 V HA -0.304 3.815 4.120 -0.003 0.000 0.248 329 V C 2.457 178.636 176.094 0.142 0.000 1.053 329 V CA 2.454 64.762 62.300 0.013 0.000 1.027 329 V CB -1.026 30.648 31.823 -0.249 0.000 0.646 329 V HN 0.658 nan 8.190 nan 0.000 0.447 330 E N 0.229 120.525 120.200 0.160 0.000 2.058 330 E HA -0.242 4.106 4.350 -0.003 0.000 0.194 330 E C 2.345 179.062 176.600 0.195 0.000 0.997 330 E CA 1.438 57.954 56.400 0.193 0.000 0.801 330 E CB -0.376 29.406 29.700 0.136 0.000 0.746 330 E HN 0.601 nan 8.360 nan 0.000 0.450 331 A N 1.410 124.336 122.820 0.177 0.000 1.902 331 A HA -0.198 4.120 4.320 -0.003 0.000 0.217 331 A C 2.127 179.776 177.584 0.107 0.000 1.181 331 A CA 1.322 53.477 52.037 0.196 0.000 0.623 331 A CB -0.449 18.692 19.000 0.236 0.000 0.818 331 A HN 0.218 nan 8.150 nan 0.000 0.443 332 M N -1.551 118.025 119.600 -0.040 0.000 2.117 332 M HA -0.105 4.373 4.480 -0.003 0.000 0.262 332 M C 1.827 177.897 176.300 -0.383 0.000 1.065 332 M CA 1.788 56.790 55.300 -0.497 0.000 1.114 332 M CB -0.537 31.804 32.600 -0.432 0.000 1.361 332 M HN 0.404 nan 8.290 nan 0.000 0.408 333 F N 0.200 120.090 119.950 -0.101 0.000 2.206 333 F HA -0.191 4.334 4.527 -0.003 0.000 0.298 333 F C 2.168 178.049 175.800 0.135 0.000 1.090 333 F CA 0.886 58.853 58.000 -0.054 0.000 1.323 333 F CB -0.941 37.908 39.000 -0.251 0.000 1.028 333 F HN 0.131 nan 8.300 nan 0.000 0.492 334 L N 0.498 121.927 121.223 0.343 0.000 2.012 334 L HA -0.201 4.138 4.340 -0.003 0.000 0.210 334 L C 2.530 179.495 176.870 0.159 0.000 1.073 334 L CA 1.750 56.812 54.840 0.369 0.000 0.748 334 L CB -0.764 41.491 42.059 0.327 0.000 0.891 334 L HN -0.025 nan 8.230 nan 0.000 0.431 335 R N -0.524 119.989 120.500 0.023 0.000 2.073 335 R HA -0.094 4.244 4.340 -0.003 0.000 0.234 335 R C 2.290 178.473 176.300 -0.195 0.000 1.134 335 R CA 2.001 58.036 56.100 -0.109 0.000 0.952 335 R CB -0.906 29.294 30.300 -0.166 0.000 0.850 335 R HN 0.464 nan 8.270 nan 0.000 0.433 336 S N 0.216 115.782 115.700 -0.224 0.000 2.382 336 S HA -0.098 4.371 4.470 -0.003 0.000 0.228 336 S C 1.953 176.243 174.600 -0.516 0.000 1.027 336 S CA 1.100 59.117 58.200 -0.305 0.000 0.991 336 S CB -0.429 62.616 63.200 -0.259 0.000 0.823 336 S HN 0.560 nan 8.310 nan 0.000 0.469 337 A N 1.472 123.991 122.820 -0.501 0.000 1.902 337 A HA -0.166 4.153 4.320 -0.003 0.000 0.217 337 A C 2.051 179.541 177.584 -0.156 0.000 1.181 337 A CA 1.714 53.481 52.037 -0.449 0.000 0.623 337 A CB -0.620 18.389 19.000 0.015 0.000 0.818 337 A HN 0.607 nan 8.150 nan 0.000 0.443 338 E N -0.157 119.904 120.200 -0.232 0.000 2.058 338 E HA -0.203 4.145 4.350 -0.003 0.000 0.194 338 E C 1.865 178.309 176.600 -0.260 0.000 0.997 338 E CA 1.556 57.656 56.400 -0.500 0.000 0.801 338 E CB -0.254 28.895 29.700 -0.918 0.000 0.746 338 E HN 0.642 nan 8.360 nan 0.000 0.450 339 I N 0.293 120.743 120.570 -0.200 0.000 2.226 339 I HA -0.229 3.940 4.170 -0.003 0.000 0.245 339 I C 2.292 178.387 176.117 -0.036 0.000 1.100 339 I CA 0.933 62.166 61.300 -0.113 0.000 1.374 339 I CB -0.316 37.621 38.000 -0.104 0.000 1.057 339 I HN 0.182 nan 8.210 nan 0.000 0.413 340 F N 1.861 121.706 119.950 -0.175 0.000 2.202 340 F HA -0.242 4.283 4.527 -0.003 0.000 0.301 340 F C 2.100 177.900 175.800 -0.001 0.000 1.082 340 F CA 1.681 59.636 58.000 -0.074 0.000 1.313 340 F CB -0.264 38.644 39.000 -0.153 0.000 1.024 340 F HN 0.129 nan 8.300 nan 0.000 0.495 341 N N 0.136 118.862 118.700 0.043 0.000 2.336 341 N HA -0.019 4.719 4.740 -0.003 0.000 0.189 341 N C -0.175 175.331 175.510 -0.007 0.000 1.113 341 N CA 0.170 53.238 53.050 0.030 0.000 0.858 341 N CB 0.073 38.658 38.487 0.164 0.000 0.970 341 N HN 0.118 nan 8.380 nan 0.000 0.471 342 K N 1.932 122.307 120.400 -0.042 0.000 2.379 342 K HA 0.118 4.437 4.320 -0.003 0.000 0.284 342 K C 0.333 176.902 176.600 -0.052 0.000 1.044 342 K CA 0.044 56.311 56.287 -0.033 0.000 0.974 342 K CB 0.958 33.431 32.500 -0.044 0.000 0.962 342 K HN 0.027 nan 8.250 nan 0.000 0.474 343 K N 3.126 123.505 120.400 -0.034 0.000 2.453 343 K HA 0.021 4.340 4.320 -0.003 0.000 0.280 343 K C 0.177 176.738 176.600 -0.064 0.000 1.045 343 K CA 0.341 56.601 56.287 -0.045 0.000 1.059 343 K CB 0.230 32.713 32.500 -0.028 0.000 0.901 343 K HN 0.335 nan 8.250 nan 0.000 0.475 344 L N 4.353 125.529 121.223 -0.080 0.000 2.301 344 L HA 0.465 4.804 4.340 -0.003 0.000 0.264 344 L C -2.047 174.722 176.870 -0.169 0.000 1.016 344 L CA -2.518 52.255 54.840 -0.111 0.000 0.821 344 L CB 1.657 43.683 42.059 -0.054 0.000 1.346 344 L HN 0.451 nan 8.230 nan 0.000 0.429 345 P HA 0.045 nan 4.420 nan 0.000 0.268 345 P C -0.745 176.471 177.300 -0.140 0.000 1.208 345 P CA -0.193 62.687 63.100 -0.366 0.000 0.777 345 P CB 0.370 31.646 31.700 -0.706 0.000 0.875 346 S N 1.288 116.975 115.700 -0.022 0.000 2.673 346 S HA 0.243 4.711 4.470 -0.003 0.000 0.308 346 S C 1.581 176.274 174.600 0.155 0.000 1.246 346 S CA 1.249 59.481 58.200 0.052 0.000 1.077 346 S CB -0.791 62.427 63.200 0.029 0.000 0.814 346 S HN 0.916 nan 8.310 nan 0.000 0.503 347 G N 3.180 112.045 108.800 0.109 0.000 2.284 347 G HA2 -0.315 3.644 3.960 -0.003 0.000 0.247 347 G HA3 -0.315 3.644 3.960 -0.003 0.000 0.247 347 G C 0.620 175.570 174.900 0.082 0.000 1.012 347 G CA 0.594 45.743 45.100 0.081 0.000 0.618 347 G HN 0.739 nan 8.290 nan 0.000 0.521 348 H N 1.193 120.247 119.070 -0.028 0.000 2.319 348 H HA 0.069 4.623 4.556 -0.003 0.000 0.299 348 H C 2.909 178.211 175.328 -0.043 0.000 1.092 348 H CA 2.074 58.106 56.048 -0.028 0.000 1.302 348 H CB -0.344 29.402 29.762 -0.027 0.000 1.373 348 H HN 0.442 nan 8.280 nan 0.000 0.497 349 S N 0.068 115.797 115.700 0.048 0.000 2.423 349 S HA -0.124 4.345 4.470 -0.003 0.000 0.231 349 S C 1.364 175.923 174.600 -0.068 0.000 1.014 349 S CA 1.449 59.602 58.200 -0.079 0.000 0.965 349 S CB -0.134 62.971 63.200 -0.159 0.000 0.785 349 S HN 0.526 nan 8.310 nan 0.000 0.495 350 D N 1.076 121.460 120.400 -0.026 0.000 2.149 350 D HA -0.001 4.637 4.640 -0.003 0.000 0.201 350 D C 1.777 178.072 176.300 -0.008 0.000 0.972 350 D CA 0.343 54.331 54.000 -0.020 0.000 0.835 350 D CB -0.155 40.637 40.800 -0.014 0.000 0.966 350 D HN 0.166 nan 8.370 nan 0.000 0.476 351 L N 0.363 121.580 121.223 -0.010 0.000 2.044 351 L HA 0.007 4.346 4.340 -0.003 0.000 0.205 351 L C 1.891 178.785 176.870 0.040 0.000 1.075 351 L CA 1.112 55.947 54.840 -0.008 0.000 0.747 351 L CB -0.534 41.489 42.059 -0.060 0.000 0.903 351 L HN 0.048 nan 8.230 nan 0.000 0.435 352 L N -0.175 121.082 121.223 0.058 0.000 2.043 352 L HA -0.261 4.077 4.340 -0.003 0.000 0.212 352 L C 2.475 179.482 176.870 0.230 0.000 1.075 352 L CA 2.221 57.139 54.840 0.129 0.000 0.752 352 L CB -0.749 41.367 42.059 0.096 0.000 0.891 352 L HN 0.524 nan 8.230 nan 0.000 0.432 353 E N -0.825 119.494 120.200 0.199 0.000 2.072 353 E HA -0.223 4.126 4.350 -0.003 0.000 0.191 353 E C 2.075 178.731 176.600 0.092 0.000 0.985 353 E CA 1.060 57.580 56.400 0.200 0.000 0.801 353 E CB -0.168 29.544 29.700 0.019 0.000 0.750 353 E HN 0.641 nan 8.360 nan 0.000 0.452 354 A N 1.363 124.216 122.820 0.055 0.000 1.898 354 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 354 A C 2.152 179.797 177.584 0.103 0.000 1.181 354 A CA 0.958 53.025 52.037 0.049 0.000 0.620 354 A CB -0.340 18.673 19.000 0.021 0.000 0.819 354 A HN 0.108 nan 8.150 nan 0.000 0.442 355 R N -0.406 120.171 120.500 0.129 0.000 2.081 355 R HA -0.033 4.306 4.340 -0.003 0.000 0.235 355 R C 1.966 178.396 176.300 0.216 0.000 1.131 355 R CA 1.487 57.681 56.100 0.157 0.000 0.960 355 R CB -0.710 29.683 30.300 0.155 0.000 0.856 355 R HN 0.638 nan 8.270 nan 0.000 0.436 356 I N -0.019 120.727 120.570 0.294 0.000 2.439 356 I HA -0.192 3.977 4.170 -0.003 0.000 0.251 356 I C 2.674 178.987 176.117 0.328 0.000 1.139 356 I CA 0.845 62.362 61.300 0.363 0.000 1.438 356 I CB -0.224 38.083 38.000 0.511 0.000 1.085 356 I HN 0.068 nan 8.210 nan 0.000 0.427 357 R N 0.829 121.529 120.500 0.333 0.000 2.120 357 R HA -0.160 4.178 4.340 -0.003 0.000 0.234 357 R C 1.366 177.733 176.300 0.111 0.000 1.123 357 R CA 1.484 57.733 56.100 0.248 0.000 0.975 357 R CB -0.126 30.268 30.300 0.157 0.000 0.866 357 R HN 0.247 nan 8.270 nan 0.000 0.446 358 N N -0.523 118.238 118.700 0.102 0.000 2.279 358 N HA -0.012 4.726 4.740 -0.003 0.000 0.226 358 N C 0.771 176.324 175.510 0.071 0.000 1.126 358 N CA 0.088 53.175 53.050 0.062 0.000 0.846 358 N CB 0.556 39.084 38.487 0.067 0.000 1.050 358 N HN 0.159 nan 8.380 nan 0.000 0.502 359 S N -1.734 114.006 115.700 0.067 0.000 2.453 359 S HA 0.120 4.588 4.470 -0.003 0.000 0.231 359 S C 1.600 176.196 174.600 -0.007 0.000 1.005 359 S CA 0.943 59.229 58.200 0.143 0.000 0.949 359 S CB 0.065 63.424 63.200 0.265 0.000 0.774 359 S HN 0.353 nan 8.310 nan 0.000 0.510 360 G N 0.656 109.224 108.800 -0.386 0.000 2.255 360 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.196 360 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.196 360 G C 0.004 174.176 174.900 -1.214 0.000 0.998 360 G CA -0.166 44.520 45.100 -0.689 0.000 0.656 360 G HN 0.628 nan 8.290 nan 0.000 0.490 361 I N 2.629 122.355 120.570 -1.408 0.000 2.634 361 I HA 0.491 4.660 4.170 -0.003 0.000 0.284 361 I C 0.757 176.705 176.117 -0.282 0.000 1.124 361 I CA -0.281 60.513 61.300 -0.843 0.000 1.417 361 I CB 0.889 38.498 38.000 -0.652 0.000 1.396 361 I HN 0.135 nan 8.210 nan 0.000 0.571 362 S N 6.135 121.811 115.700 -0.040 0.000 2.549 362 S HA -0.074 4.395 4.470 -0.003 0.000 0.286 362 S C 1.036 175.622 174.600 -0.023 0.000 1.314 362 S CA -0.276 57.925 58.200 0.001 0.000 1.062 362 S CB 0.647 63.886 63.200 0.066 0.000 0.865 362 S HN 0.759 nan 8.310 nan 0.000 0.498 363 D N 2.009 122.372 120.400 -0.060 0.000 2.265 363 D HA -0.158 4.480 4.640 -0.003 0.000 0.208 363 D C 1.935 178.179 176.300 -0.093 0.000 0.977 363 D CA 1.001 54.972 54.000 -0.048 0.000 0.871 363 D CB 0.169 40.947 40.800 -0.036 0.000 0.925 363 D HN 0.857 nan 8.370 nan 0.000 0.485 364 E N -0.369 119.703 120.200 -0.214 0.000 2.153 364 E HA -0.220 4.128 4.350 -0.003 0.000 0.194 364 E C 1.417 177.816 176.600 -0.336 0.000 0.988 364 E CA 0.995 57.195 56.400 -0.333 0.000 0.811 364 E CB -0.589 28.809 29.700 -0.504 0.000 0.746 364 E HN 0.415 nan 8.360 nan 0.000 0.466 365 Y N 0.681 120.944 120.300 -0.062 0.000 2.420 365 Y HA 0.079 4.627 4.550 -0.003 0.000 0.292 365 Y C 2.354 178.200 175.900 -0.089 0.000 1.119 365 Y CA -0.057 58.008 58.100 -0.059 0.000 1.229 365 Y CB -0.004 38.434 38.460 -0.037 0.000 1.026 365 Y HN 0.022 nan 8.280 nan 0.000 0.554 366 I N -0.085 120.511 120.570 0.043 0.000 2.163 366 I HA -0.293 3.876 4.170 -0.003 0.000 0.243 366 I C 1.999 178.150 176.117 0.057 0.000 1.085 366 I CA 1.795 63.099 61.300 0.007 0.000 1.347 366 I CB -1.307 36.764 38.000 0.117 0.000 1.044 366 I HN 0.233 nan 8.210 nan 0.000 0.408 367 T N 2.412 117.008 114.554 0.071 0.000 2.622 367 T HA -0.085 4.263 4.350 -0.003 0.000 0.266 367 T C -0.293 174.439 174.700 0.053 0.000 1.047 367 T CA 1.666 63.814 62.100 0.079 0.000 1.159 367 T CB -1.713 67.172 68.868 0.029 0.000 0.863 367 T HN 0.310 nan 8.240 nan 0.000 0.422 368 P HA -0.024 nan 4.420 nan 0.000 0.218 368 P C 1.727 179.095 177.300 0.112 0.000 1.149 368 P CA 0.999 64.121 63.100 0.037 0.000 0.817 368 P CB -0.165 31.522 31.700 -0.021 0.000 0.785 369 M N -1.256 118.335 119.600 -0.016 0.000 2.059 369 M HA -0.156 4.322 4.480 -0.003 0.000 0.259 369 M C 1.883 177.725 176.300 -0.764 0.000 1.072 369 M CA 2.072 57.092 55.300 -0.466 0.000 1.117 369 M CB -0.430 31.722 32.600 -0.746 0.000 1.320 369 M HN -0.227 nan 8.290 nan 0.000 0.408 370 F N -0.655 119.063 119.950 -0.387 0.000 2.407 370 F HA -0.103 4.423 4.527 -0.003 0.000 0.299 370 F C 2.916 178.657 175.800 -0.099 0.000 1.097 370 F CA 1.284 59.088 58.000 -0.327 0.000 1.422 370 F CB -1.028 37.870 39.000 -0.171 0.000 1.067 370 F HN 0.243 nan 8.300 nan 0.000 0.539 371 S N -0.353 115.426 115.700 0.132 0.000 2.383 371 S HA -0.209 4.260 4.470 -0.003 0.000 0.227 371 S C 2.062 176.773 174.600 0.185 0.000 1.026 371 S CA 0.960 59.247 58.200 0.144 0.000 0.981 371 S CB -0.572 62.695 63.200 0.111 0.000 0.818 371 S HN 0.353 nan 8.310 nan 0.000 0.472 372 F N 1.140 121.137 119.950 0.078 0.000 2.149 372 F HA 0.078 4.603 4.527 -0.003 0.000 0.294 372 F C 1.809 177.769 175.800 0.266 0.000 1.095 372 F CA 1.128 59.233 58.000 0.175 0.000 1.276 372 F CB -0.630 38.567 39.000 0.328 0.000 1.023 372 F HN 0.192 nan 8.300 nan 0.000 0.480 373 Y N 1.374 121.665 120.300 -0.015 0.000 2.207 373 Y HA -0.227 4.321 4.550 -0.003 0.000 0.287 373 Y C 2.600 178.528 175.900 0.047 0.000 1.156 373 Y CA 1.394 59.436 58.100 -0.098 0.000 1.182 373 Y CB -1.367 36.868 38.460 -0.376 0.000 0.979 373 Y HN 0.196 nan 8.280 nan 0.000 0.521 374 K N 0.425 120.977 120.400 0.253 0.000 2.062 374 K HA -0.145 4.174 4.320 -0.003 0.000 0.205 374 K C 2.343 179.015 176.600 0.121 0.000 1.051 374 K CA 1.510 57.938 56.287 0.235 0.000 0.941 374 K CB -0.154 32.473 32.500 0.212 0.000 0.719 374 K HN 0.355 nan 8.250 nan 0.000 0.440 375 S N 0.825 116.554 115.700 0.048 0.000 2.402 375 S HA -0.102 4.367 4.470 -0.003 0.000 0.229 375 S C 2.059 176.625 174.600 -0.056 0.000 1.021 375 S CA 0.718 58.919 58.200 0.002 0.000 0.974 375 S CB -0.283 62.921 63.200 0.007 0.000 0.800 375 S HN 0.243 nan 8.310 nan 0.000 0.484 376 I N 2.614 123.090 120.570 -0.157 0.000 2.252 376 I HA -0.034 4.134 4.170 -0.003 0.000 0.245 376 I C 2.868 179.003 176.117 0.030 0.000 1.102 376 I CA 1.424 62.646 61.300 -0.129 0.000 1.385 376 I CB -2.063 35.797 38.000 -0.234 0.000 1.064 376 I HN 0.506 nan 8.210 nan 0.000 0.414 377 G N 0.260 109.118 108.800 0.098 0.000 2.440 377 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.218 377 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.218 377 G C 1.614 176.570 174.900 0.093 0.000 1.154 377 G CA 0.701 45.881 45.100 0.133 0.000 0.767 377 G HN 0.338 nan 8.290 nan 0.000 0.552 378 E N -0.102 120.144 120.200 0.078 0.000 2.118 378 E HA -0.038 4.310 4.350 -0.003 0.000 0.195 378 E C 2.468 179.114 176.600 0.077 0.000 0.992 378 E CA 0.557 56.998 56.400 0.069 0.000 0.804 378 E CB -0.220 29.517 29.700 0.061 0.000 0.741 378 E HN 0.451 nan 8.360 nan 0.000 0.458 379 L N 0.473 121.739 121.223 0.072 0.000 2.362 379 L HA -0.098 4.240 4.340 -0.003 0.000 0.219 379 L C 0.386 177.352 176.870 0.161 0.000 1.134 379 L CA 0.456 55.374 54.840 0.131 0.000 0.807 379 L CB -0.260 41.812 42.059 0.022 0.000 0.927 379 L HN 0.031 nan 8.230 nan 0.000 0.447 380 K N 0.496 120.941 120.400 0.076 0.000 3.156 380 K HA -0.201 4.117 4.320 -0.003 0.000 0.266 380 K C -0.112 176.494 176.600 0.011 0.000 0.966 380 K CA 0.990 57.306 56.287 0.049 0.000 0.719 380 K CB -1.804 30.717 32.500 0.035 0.000 1.333 380 K HN 0.405 nan 8.250 nan 0.000 0.468 381 M N 0.706 120.260 119.600 -0.076 0.000 2.239 381 M HA -0.011 4.468 4.480 -0.003 0.000 0.348 381 M C 1.433 177.624 176.300 -0.182 0.000 1.239 381 M CA 0.540 55.683 55.300 -0.261 0.000 1.114 381 M CB 0.410 32.532 32.600 -0.796 0.000 1.641 381 M HN 0.296 nan 8.290 nan 0.000 0.453 382 T N -0.842 113.610 114.554 -0.171 0.000 2.816 382 T HA 0.144 4.493 4.350 -0.003 0.000 0.282 382 T C 0.727 175.436 174.700 0.015 0.000 0.993 382 T CA -0.799 61.250 62.100 -0.086 0.000 0.994 382 T CB 1.172 69.899 68.868 -0.236 0.000 1.025 382 T HN 0.728 nan 8.240 nan 0.000 0.529 383 Q N 0.360 120.231 119.800 0.118 0.000 2.112 383 Q HA -0.176 4.162 4.340 -0.003 0.000 0.206 383 Q C 2.118 178.148 176.000 0.050 0.000 0.987 383 Q CA 2.205 58.125 55.803 0.194 0.000 0.858 383 Q CB -0.429 28.403 28.738 0.158 0.000 0.905 383 Q HN 0.879 nan 8.270 nan 0.000 0.420 384 E N -0.236 119.957 120.200 -0.013 0.000 2.110 384 E HA -0.218 4.131 4.350 -0.003 0.000 0.193 384 E C 1.967 178.520 176.600 -0.078 0.000 0.988 384 E CA 1.236 57.611 56.400 -0.042 0.000 0.804 384 E CB -0.053 29.638 29.700 -0.015 0.000 0.745 384 E HN 0.476 nan 8.360 nan 0.000 0.458 385 E N -0.235 119.900 120.200 -0.110 0.000 2.072 385 E HA -0.169 4.179 4.350 -0.003 0.000 0.191 385 E C 1.682 178.192 176.600 -0.150 0.000 0.985 385 E CA 0.858 57.179 56.400 -0.133 0.000 0.801 385 E CB -0.018 29.566 29.700 -0.194 0.000 0.750 385 E HN 0.277 nan 8.360 nan 0.000 0.452 386 Y N 0.383 120.607 120.300 -0.127 0.000 2.145 386 Y HA -0.208 4.341 4.550 -0.002 0.000 0.286 386 Y C 2.291 177.932 175.900 -0.433 0.000 1.145 386 Y CA 1.179 59.174 58.100 -0.176 0.000 1.148 386 Y CB -0.727 37.675 38.460 -0.096 0.000 0.981 386 Y HN 0.066 nan 8.280 nan 0.000 0.507 387 A N -0.078 122.388 122.820 -0.590 0.000 1.877 387 A HA -0.163 4.155 4.320 -0.003 0.000 0.216 387 A C 2.304 179.811 177.584 -0.129 0.000 1.186 387 A CA 1.739 53.289 52.037 -0.811 0.000 0.620 387 A CB -1.111 17.555 19.000 -0.556 0.000 0.822 387 A HN 0.462 nan 8.150 nan 0.000 0.443 388 L N -1.415 119.786 121.223 -0.037 0.000 2.056 388 L HA -0.124 4.215 4.340 -0.003 0.000 0.207 388 L C 2.528 179.451 176.870 0.089 0.000 1.078 388 L CA 0.930 55.810 54.840 0.067 0.000 0.749 388 L CB -0.417 41.677 42.059 0.058 0.000 0.901 388 L HN 0.402 nan 8.230 nan 0.000 0.433 389 L N -0.494 120.761 121.223 0.053 0.000 2.083 389 L HA -0.189 4.149 4.340 -0.003 0.000 0.209 389 L C 2.467 179.408 176.870 0.119 0.000 1.083 389 L CA 1.930 56.816 54.840 0.077 0.000 0.752 389 L CB -0.613 41.477 42.059 0.052 0.000 0.899 389 L HN 0.197 nan 8.230 nan 0.000 0.433 390 T N -0.607 114.018 114.554 0.117 0.000 2.708 390 T HA -0.157 4.192 4.350 -0.003 0.000 0.266 390 T C 1.922 176.765 174.700 0.238 0.000 1.037 390 T CA 1.261 63.451 62.100 0.149 0.000 1.146 390 T CB -0.522 68.384 68.868 0.064 0.000 0.865 390 T HN 0.488 nan 8.240 nan 0.000 0.435 391 A N 1.256 124.272 122.820 0.327 0.000 1.877 391 A HA -0.043 4.275 4.320 -0.003 0.000 0.216 391 A C 2.305 180.009 177.584 0.199 0.000 1.186 391 A CA 1.335 53.575 52.037 0.337 0.000 0.620 391 A CB -0.901 18.260 19.000 0.267 0.000 0.822 391 A HN 0.499 nan 8.150 nan 0.000 0.443 392 I N -0.554 120.112 120.570 0.160 0.000 2.208 392 I HA -0.250 3.919 4.170 -0.003 0.000 0.245 392 I C 2.378 178.567 176.117 0.120 0.000 1.097 392 I CA 1.261 62.637 61.300 0.127 0.000 1.363 392 I CB -0.293 37.774 38.000 0.111 0.000 1.051 392 I HN 0.170 nan 8.210 nan 0.000 0.413 393 V N 0.916 120.907 119.914 0.129 0.000 2.343 393 V HA -0.282 3.837 4.120 -0.003 0.000 0.247 393 V C 2.269 178.440 176.094 0.128 0.000 1.051 393 V CA 1.973 64.346 62.300 0.122 0.000 1.036 393 V CB -0.351 31.554 31.823 0.137 0.000 0.654 393 V HN 0.324 nan 8.190 nan 0.000 0.451 394 I N -0.470 120.190 120.570 0.150 0.000 2.226 394 I HA -0.186 3.982 4.170 -0.003 0.000 0.245 394 I C 1.230 177.440 176.117 0.155 0.000 1.100 394 I CA 1.442 62.828 61.300 0.144 0.000 1.374 394 I CB -0.114 37.971 38.000 0.143 0.000 1.057 394 I HN 0.198 nan 8.210 nan 0.000 0.413 395 L N 0.998 122.315 121.223 0.156 0.000 2.934 395 L HA 0.170 4.509 4.340 -0.003 0.000 0.233 395 L C 0.145 177.088 176.870 0.122 0.000 1.358 395 L CA -0.222 54.715 54.840 0.162 0.000 1.233 395 L CB -0.510 41.647 42.059 0.162 0.000 1.594 395 L HN 0.010 nan 8.230 nan 0.000 0.439 396 S N 1.245 117.011 115.700 0.110 0.000 2.439 396 S HA 0.208 4.676 4.470 -0.003 0.000 0.282 396 S C -1.413 173.230 174.600 0.070 0.000 1.170 396 S CA -0.982 57.266 58.200 0.080 0.000 1.054 396 S CB 1.321 64.562 63.200 0.068 0.000 0.956 396 S HN 0.165 nan 8.310 nan 0.000 0.490 397 P HA -0.048 nan 4.420 nan 0.000 0.220 397 P C 0.222 177.541 177.300 0.031 0.000 1.148 397 P CA 0.870 63.997 63.100 0.045 0.000 0.803 397 P CB 0.130 31.852 31.700 0.037 0.000 0.782 398 D N -0.518 119.895 120.400 0.021 0.000 2.434 398 D HA 0.056 4.694 4.640 -0.003 0.000 0.232 398 D C 0.339 176.635 176.300 -0.006 0.000 1.166 398 D CA 0.115 54.116 54.000 0.002 0.000 0.830 398 D CB 0.177 40.971 40.800 -0.010 0.000 0.960 398 D HN 0.106 nan 8.370 nan 0.000 0.497 399 R N 1.223 121.733 120.500 0.016 0.000 2.539 399 R HA 0.144 4.482 4.340 -0.003 0.000 0.275 399 R C 0.607 176.899 176.300 -0.013 0.000 1.077 399 R CA -0.293 55.818 56.100 0.017 0.000 1.097 399 R CB 0.647 30.985 30.300 0.064 0.000 1.018 399 R HN 0.233 nan 8.270 nan 0.000 0.483 400 Q N 1.421 121.181 119.800 -0.068 0.000 2.283 400 Q HA -0.131 4.207 4.340 -0.003 0.000 0.301 400 Q C -0.447 175.476 176.000 -0.128 0.000 1.063 400 Q CA 0.777 56.435 55.803 -0.242 0.000 0.952 400 Q CB 0.128 28.647 28.738 -0.365 0.000 1.166 400 Q HN 0.574 nan 8.270 nan 0.000 0.381 401 Y N -0.104 120.208 120.300 0.019 0.000 4.884 401 Y HA -0.273 4.275 4.550 -0.003 0.000 0.276 401 Y C 0.067 175.978 175.900 0.019 0.000 0.915 401 Y CA 0.036 58.148 58.100 0.020 0.000 1.768 401 Y CB -1.520 36.955 38.460 0.025 0.000 1.172 401 Y HN 0.559 nan 8.280 nan 0.000 0.470 402 I N 3.217 123.856 120.570 0.115 0.000 2.792 402 I HA -0.121 4.048 4.170 -0.003 0.000 0.284 402 I C 1.507 177.659 176.117 0.059 0.000 1.166 402 I CA 0.736 62.084 61.300 0.080 0.000 1.375 402 I CB 0.709 38.743 38.000 0.058 0.000 1.421 402 I HN 0.387 nan 8.210 nan 0.000 0.544 403 K N 3.510 123.945 120.400 0.057 0.000 2.007 403 K HA -0.106 4.213 4.320 -0.003 0.000 0.206 403 K C 0.445 177.059 176.600 0.025 0.000 1.047 403 K CA 1.060 57.371 56.287 0.041 0.000 0.937 403 K CB 0.077 32.598 32.500 0.036 0.000 0.718 403 K HN 0.482 nan 8.250 nan 0.000 0.438 404 D N 0.382 120.794 120.400 0.019 0.000 2.473 404 D HA 0.080 4.718 4.640 -0.003 0.000 0.226 404 D C 0.495 176.803 176.300 0.014 0.000 1.089 404 D CA -0.137 53.870 54.000 0.011 0.000 0.883 404 D CB 0.864 41.665 40.800 0.002 0.000 1.029 404 D HN -0.032 nan 8.370 nan 0.000 0.517 405 R N 2.734 123.244 120.500 0.016 0.000 2.073 405 R HA -0.076 4.263 4.340 -0.003 0.000 0.229 405 R C 1.219 177.531 176.300 0.020 0.000 1.120 405 R CA 1.141 57.253 56.100 0.020 0.000 0.967 405 R CB 0.264 30.574 30.300 0.016 0.000 0.862 405 R HN 0.443 nan 8.270 nan 0.000 0.436 406 E N 0.188 120.396 120.200 0.015 0.000 2.085 406 E HA -0.216 4.132 4.350 -0.003 0.000 0.194 406 E C 1.939 178.548 176.600 0.015 0.000 0.994 406 E CA 1.402 57.811 56.400 0.014 0.000 0.801 406 E CB -0.156 29.550 29.700 0.010 0.000 0.743 406 E HN 0.452 nan 8.360 nan 0.000 0.453 407 A N 0.857 123.682 122.820 0.010 0.000 1.908 407 A HA -0.181 4.138 4.320 -0.003 0.000 0.218 407 A C 2.519 180.113 177.584 0.016 0.000 1.181 407 A CA 1.518 53.558 52.037 0.005 0.000 0.627 407 A CB -0.713 18.282 19.000 -0.008 0.000 0.818 407 A HN 0.135 nan 8.150 nan 0.000 0.445 408 V N -0.148 119.781 119.914 0.025 0.000 2.307 408 V HA -0.257 3.862 4.120 -0.003 0.000 0.245 408 V C 2.482 178.610 176.094 0.056 0.000 1.045 408 V CA 2.192 64.521 62.300 0.049 0.000 1.024 408 V CB -0.857 31.000 31.823 0.058 0.000 0.651 408 V HN 0.726 nan 8.190 nan 0.000 0.449 409 E N 0.117 120.344 120.200 0.045 0.000 2.118 409 E HA -0.254 4.094 4.350 -0.003 0.000 0.195 409 E C 2.314 178.940 176.600 0.044 0.000 0.992 409 E CA 1.163 57.590 56.400 0.045 0.000 0.804 409 E CB -0.010 29.711 29.700 0.035 0.000 0.741 409 E HN 0.430 nan 8.360 nan 0.000 0.458 410 K N 0.181 120.602 120.400 0.035 0.000 2.148 410 K HA -0.096 4.222 4.320 -0.003 0.000 0.204 410 K C 2.213 178.835 176.600 0.036 0.000 1.050 410 K CA 0.688 56.993 56.287 0.030 0.000 0.942 410 K CB -0.053 32.459 32.500 0.019 0.000 0.724 410 K HN 0.279 nan 8.250 nan 0.000 0.446 411 L N 0.316 121.567 121.223 0.047 0.000 2.179 411 L HA -0.115 4.223 4.340 -0.003 0.000 0.208 411 L C 2.711 179.624 176.870 0.072 0.000 1.096 411 L CA 0.890 55.767 54.840 0.061 0.000 0.779 411 L CB -0.357 41.752 42.059 0.082 0.000 0.922 411 L HN 0.252 nan 8.230 nan 0.000 0.443 412 Q N 0.768 120.614 119.800 0.077 0.000 2.083 412 Q HA -0.213 4.126 4.340 -0.003 0.000 0.198 412 Q C 2.045 178.093 176.000 0.080 0.000 0.969 412 Q CA 1.710 57.565 55.803 0.086 0.000 0.838 412 Q CB 0.122 28.912 28.738 0.088 0.000 0.900 412 Q HN 0.649 nan 8.270 nan 0.000 0.436 413 E N 0.715 120.954 120.200 0.066 0.000 2.049 413 E HA -0.186 4.162 4.350 -0.003 0.000 0.198 413 E C -0.851 175.778 176.600 0.049 0.000 1.007 413 E CA 1.220 57.656 56.400 0.059 0.000 0.809 413 E CB -1.533 28.194 29.700 0.045 0.000 0.749 413 E HN 0.412 nan 8.360 nan 0.000 0.450 414 P HA -0.138 nan 4.420 nan 0.000 0.219 414 P C 1.601 178.921 177.300 0.033 0.000 1.146 414 P CA 1.166 64.280 63.100 0.023 0.000 0.808 414 P CB -0.090 31.619 31.700 0.015 0.000 0.779 415 L N -1.482 119.774 121.223 0.056 0.000 2.109 415 L HA -0.080 4.258 4.340 -0.003 0.000 0.207 415 L C 2.797 179.725 176.870 0.098 0.000 1.086 415 L CA 0.914 55.799 54.840 0.075 0.000 0.760 415 L CB -0.960 41.154 42.059 0.090 0.000 0.910 415 L HN -0.127 nan 8.230 nan 0.000 0.437 416 L N -0.315 120.980 121.223 0.119 0.000 2.017 416 L HA -0.234 4.104 4.340 -0.003 0.000 0.208 416 L C 2.286 179.189 176.870 0.056 0.000 1.073 416 L CA 1.214 56.171 54.840 0.195 0.000 0.745 416 L CB -0.606 41.586 42.059 0.221 0.000 0.894 416 L HN 0.280 nan 8.230 nan 0.000 0.432 417 D N -0.457 119.938 120.400 -0.009 0.000 2.117 417 D HA -0.157 4.481 4.640 -0.003 0.000 0.197 417 D C 2.313 178.556 176.300 -0.094 0.000 0.987 417 D CA 1.174 55.121 54.000 -0.088 0.000 0.829 417 D CB -0.382 40.390 40.800 -0.046 0.000 0.961 417 D HN 0.117 nan 8.370 nan 0.000 0.460 418 V N 1.015 120.910 119.914 -0.032 0.000 2.295 418 V HA -0.212 3.907 4.120 -0.003 0.000 0.246 418 V C 2.498 178.585 176.094 -0.011 0.000 1.049 418 V CA 1.125 63.414 62.300 -0.018 0.000 1.024 418 V CB -0.536 31.291 31.823 0.006 0.000 0.648 418 V HN 0.122 nan 8.190 nan 0.000 0.447 419 L N 0.028 121.271 121.223 0.032 0.000 2.042 419 L HA -0.229 4.110 4.340 -0.003 0.000 0.210 419 L C 2.544 179.406 176.870 -0.013 0.000 1.076 419 L CA 2.405 57.303 54.840 0.096 0.000 0.749 419 L CB -0.758 41.456 42.059 0.258 0.000 0.893 419 L HN 0.442 nan 8.230 nan 0.000 0.432 420 Q N -0.430 119.127 119.800 -0.405 0.000 2.030 420 Q HA -0.278 4.060 4.340 -0.003 0.000 0.204 420 Q C 2.215 178.039 176.000 -0.294 0.000 0.986 420 Q CA 2.329 57.620 55.803 -0.854 0.000 0.843 420 Q CB -0.112 27.933 28.738 -1.155 0.000 0.904 420 Q HN 0.494 nan 8.270 nan 0.000 0.420 421 K N -0.108 120.187 120.400 -0.175 0.000 2.097 421 K HA -0.131 4.187 4.320 -0.003 0.000 0.206 421 K C 2.107 178.711 176.600 0.006 0.000 1.049 421 K CA 1.361 57.603 56.287 -0.074 0.000 0.933 421 K CB -0.124 32.342 32.500 -0.057 0.000 0.717 421 K HN 0.280 nan 8.250 nan 0.000 0.442 422 L N 0.315 121.572 121.223 0.057 0.000 2.093 422 L HA -0.211 4.128 4.340 -0.003 0.000 0.208 422 L C 2.547 179.566 176.870 0.248 0.000 1.085 422 L CA 0.789 55.744 54.840 0.193 0.000 0.755 422 L CB -0.501 41.656 42.059 0.163 0.000 0.904 422 L HN 0.286 nan 8.230 nan 0.000 0.435 423 C N -0.102 119.313 119.300 0.190 0.000 2.429 423 C HA -0.149 4.309 4.460 -0.003 0.000 0.277 423 C C 2.806 177.891 174.990 0.158 0.000 1.262 423 C CA 0.644 59.830 59.018 0.280 0.000 1.733 423 C CB -0.653 27.317 27.740 0.385 0.000 2.010 423 C HN 0.423 nan 8.230 nan 0.000 0.483 424 K N 0.591 121.033 120.400 0.071 0.000 2.026 424 K HA -0.092 4.226 4.320 -0.003 0.000 0.208 424 K C 1.652 178.249 176.600 -0.005 0.000 1.048 424 K CA 1.405 57.704 56.287 0.020 0.000 0.929 424 K CB -0.225 32.262 32.500 -0.021 0.000 0.713 424 K HN 0.413 nan 8.250 nan 0.000 0.439 425 I N -0.187 120.373 120.570 -0.016 0.000 2.163 425 I HA -0.240 3.929 4.170 -0.003 0.000 0.240 425 I C 1.763 177.746 176.117 -0.224 0.000 1.081 425 I CA 1.505 62.728 61.300 -0.128 0.000 1.353 425 I CB -0.119 37.782 38.000 -0.166 0.000 1.054 425 I HN 0.204 nan 8.210 nan 0.000 0.407 426 H N -0.527 118.533 119.070 -0.017 0.000 2.512 426 H HA 0.149 4.703 4.556 -0.003 0.000 0.279 426 H C 0.371 175.642 175.328 -0.095 0.000 0.999 426 H CA 0.638 56.661 56.048 -0.041 0.000 1.283 426 H CB 0.169 29.915 29.762 -0.027 0.000 1.421 426 H HN 0.281 nan 8.280 nan 0.000 0.554 427 Q N 0.359 120.142 119.800 -0.029 0.000 3.230 427 Q HA 0.149 4.487 4.340 -0.003 0.000 0.303 427 Q C -2.242 173.733 176.000 -0.041 0.000 0.884 427 Q CA -1.366 54.371 55.803 -0.111 0.000 0.859 427 Q CB 1.771 30.294 28.738 -0.358 0.000 1.432 427 Q HN 0.321 nan 8.270 nan 0.000 0.403 428 P HA -0.115 nan 4.420 nan 0.000 0.225 428 P C 0.920 178.216 177.300 -0.006 0.000 1.156 428 P CA 0.862 63.953 63.100 -0.015 0.000 0.787 428 P CB 0.491 32.175 31.700 -0.027 0.000 0.802 429 E N -0.277 119.915 120.200 -0.013 0.000 2.106 429 E HA -0.102 4.247 4.350 -0.003 0.000 0.192 429 E C 0.791 177.396 176.600 0.009 0.000 0.984 429 E CA 0.882 57.280 56.400 -0.004 0.000 0.806 429 E CB -0.848 28.846 29.700 -0.010 0.000 0.750 429 E HN 0.213 nan 8.360 nan 0.000 0.458 430 N N 1.689 120.396 118.700 0.012 0.000 2.801 430 N HA 0.061 4.799 4.740 -0.003 0.000 0.235 430 N C -2.010 173.551 175.510 0.085 0.000 1.069 430 N CA -2.010 51.068 53.050 0.046 0.000 0.946 430 N CB 1.021 39.534 38.487 0.043 0.000 1.212 430 N HN -0.167 nan 8.380 nan 0.000 0.509 431 P HA -0.019 nan 4.420 nan 0.000 0.241 431 P C 0.266 177.640 177.300 0.122 0.000 1.191 431 P CA 0.804 63.959 63.100 0.090 0.000 0.771 431 P CB 0.504 32.240 31.700 0.060 0.000 0.929 432 Q N -1.614 118.259 119.800 0.122 0.000 2.331 432 Q HA -0.076 4.263 4.340 -0.003 0.000 0.203 432 Q C 2.193 178.277 176.000 0.141 0.000 0.944 432 Q CA 0.362 56.233 55.803 0.113 0.000 0.892 432 Q CB -0.853 27.933 28.738 0.079 0.000 0.983 432 Q HN 0.398 nan 8.270 nan 0.000 0.482 433 H N 0.326 119.444 119.070 0.080 0.000 2.330 433 H HA -0.262 4.291 4.556 -0.004 0.000 0.290 433 H C 1.703 177.098 175.328 0.113 0.000 1.111 433 H CA 2.073 58.170 56.048 0.081 0.000 1.226 433 H CB -0.107 29.702 29.762 0.079 0.000 1.355 433 H HN 0.369 nan 8.280 nan 0.000 0.485 434 F N 0.926 120.872 119.950 -0.007 0.000 2.102 434 F HA -0.109 4.419 4.527 0.000 0.000 0.298 434 F C 2.696 178.459 175.800 -0.062 0.000 1.105 434 F CA 1.599 59.568 58.000 -0.051 0.000 1.239 434 F CB -0.879 38.131 39.000 0.016 0.000 0.991 434 F HN 0.199 nan 8.300 nan 0.000 0.474 435 A N -0.683 122.047 122.820 -0.149 0.000 1.933 435 A HA -0.234 4.085 4.320 -0.003 0.000 0.218 435 A C 2.447 179.914 177.584 -0.194 0.000 1.175 435 A CA 1.711 53.623 52.037 -0.207 0.000 0.628 435 A CB -1.757 17.222 19.000 -0.035 0.000 0.814 435 A HN 0.606 nan 8.150 nan 0.000 0.444 436 C N -0.705 118.510 119.300 -0.142 0.000 2.432 436 C HA -0.063 4.395 4.460 -0.003 0.000 0.277 436 C C 2.686 177.573 174.990 -0.172 0.000 1.249 436 C CA 1.168 60.111 59.018 -0.125 0.000 1.725 436 C CB -1.422 26.264 27.740 -0.091 0.000 2.028 436 C HN 0.631 nan 8.230 nan 0.000 0.477 437 L N 0.001 121.059 121.223 -0.275 0.000 2.056 437 L HA -0.140 4.199 4.340 -0.003 0.000 0.207 437 L C 2.475 179.230 176.870 -0.192 0.000 1.078 437 L CA 1.316 56.014 54.840 -0.238 0.000 0.749 437 L CB -0.669 41.231 42.059 -0.266 0.000 0.901 437 L HN 0.395 nan 8.230 nan 0.000 0.433 438 L N -0.343 120.696 121.223 -0.307 0.000 2.141 438 L HA -0.106 4.232 4.340 -0.003 0.000 0.209 438 L C 2.564 179.360 176.870 -0.123 0.000 1.094 438 L CA 1.202 55.889 54.840 -0.254 0.000 0.763 438 L CB -1.059 40.765 42.059 -0.392 0.000 0.908 438 L HN 0.320 nan 8.230 nan 0.000 0.437 439 G N -0.531 108.208 108.800 -0.102 0.000 2.509 439 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.218 439 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.218 439 G C 1.613 176.523 174.900 0.017 0.000 1.124 439 G CA 0.028 45.103 45.100 -0.042 0.000 0.776 439 G HN 0.147 nan 8.290 nan 0.000 0.547 440 R N -0.205 120.326 120.500 0.051 0.000 2.189 440 R HA 0.145 4.484 4.340 -0.003 0.000 0.218 440 R C 2.254 178.683 176.300 0.215 0.000 1.074 440 R CA 0.127 56.347 56.100 0.200 0.000 0.991 440 R CB -0.901 29.529 30.300 0.216 0.000 0.883 440 R HN 0.341 nan 8.270 nan 0.000 0.457 441 L N 0.138 121.418 121.223 0.094 0.000 2.201 441 L HA -0.079 4.260 4.340 -0.003 0.000 0.212 441 L C 1.929 178.804 176.870 0.008 0.000 1.105 441 L CA 1.582 56.457 54.840 0.059 0.000 0.775 441 L CB -0.676 41.399 42.059 0.027 0.000 0.913 441 L HN 0.132 nan 8.230 nan 0.000 0.440 442 T N -1.544 113.007 114.554 -0.005 0.000 2.737 442 T HA -0.153 4.195 4.350 -0.003 0.000 0.265 442 T C 1.790 176.433 174.700 -0.095 0.000 1.038 442 T CA 1.100 63.173 62.100 -0.044 0.000 1.144 442 T CB -0.085 68.762 68.868 -0.035 0.000 0.866 442 T HN 0.325 nan 8.240 nan 0.000 0.434 443 E N 0.643 120.793 120.200 -0.082 0.000 2.106 443 E HA -0.009 4.339 4.350 -0.003 0.000 0.192 443 E C 2.279 178.587 176.600 -0.486 0.000 0.984 443 E CA 0.575 56.831 56.400 -0.240 0.000 0.806 443 E CB -0.205 29.478 29.700 -0.028 0.000 0.750 443 E HN 0.418 nan 8.360 nan 0.000 0.458 444 L N 0.510 121.539 121.223 -0.323 0.000 2.042 444 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 444 L C 2.587 179.379 176.870 -0.130 0.000 1.076 444 L CA 1.226 55.934 54.840 -0.220 0.000 0.749 444 L CB -0.268 41.769 42.059 -0.036 0.000 0.893 444 L HN 0.088 nan 8.230 nan 0.000 0.432 445 R N -0.704 119.720 120.500 -0.127 0.000 2.152 445 R HA -0.151 4.187 4.340 -0.003 0.000 0.232 445 R C 2.312 178.527 176.300 -0.142 0.000 1.117 445 R CA 1.793 57.835 56.100 -0.098 0.000 0.981 445 R CB -0.578 29.667 30.300 -0.092 0.000 0.870 445 R HN 0.556 nan 8.270 nan 0.000 0.451 446 T N -1.066 113.332 114.554 -0.260 0.000 2.777 446 T HA -0.116 4.233 4.350 -0.003 0.000 0.266 446 T C 1.706 176.237 174.700 -0.282 0.000 1.040 446 T CA 0.970 62.898 62.100 -0.286 0.000 1.141 446 T CB -0.322 68.338 68.868 -0.348 0.000 0.868 446 T HN 0.033 nan 8.240 nan 0.000 0.444 447 F N 2.633 122.429 119.950 -0.256 0.000 2.171 447 F HA 0.084 4.610 4.527 -0.003 0.000 0.300 447 F C 2.547 178.264 175.800 -0.137 0.000 1.090 447 F CA 0.935 58.723 58.000 -0.353 0.000 1.293 447 F CB -1.224 37.290 39.000 -0.810 0.000 1.013 447 F HN 0.261 nan 8.300 nan 0.000 0.486 448 N N -0.570 118.193 118.700 0.104 0.000 2.084 448 N HA -0.236 4.502 4.740 -0.003 0.000 0.190 448 N C 2.038 177.666 175.510 0.197 0.000 1.030 448 N CA 1.669 54.813 53.050 0.157 0.000 0.849 448 N CB -0.574 37.965 38.487 0.087 0.000 1.012 448 N HN 0.445 nan 8.380 nan 0.000 0.423 449 H N -1.652 117.333 119.070 -0.141 0.000 2.357 449 H HA -0.164 4.390 4.556 -0.002 0.000 0.296 449 H C 0.521 175.602 175.328 -0.411 0.000 1.108 449 H CA 1.690 57.533 56.048 -0.342 0.000 1.273 449 H CB 0.036 29.445 29.762 -0.588 0.000 1.367 449 H HN 0.471 nan 8.280 nan 0.000 0.498 450 H N -0.554 118.453 119.070 -0.104 0.000 2.542 450 H HA 0.000 4.555 4.556 -0.003 0.000 0.283 450 H C 1.859 177.047 175.328 -0.232 0.000 1.059 450 H CA 0.477 56.393 56.048 -0.219 0.000 1.162 450 H CB -0.075 29.592 29.762 -0.159 0.000 1.539 450 H HN 0.703 nan 8.280 nan 0.000 0.543 451 H N 0.280 119.288 119.070 -0.102 0.000 2.290 451 H HA -0.080 4.475 4.556 -0.003 0.000 0.298 451 H C 1.929 177.122 175.328 -0.225 0.000 1.087 451 H CA 1.352 57.284 56.048 -0.193 0.000 1.291 451 H CB -0.309 29.281 29.762 -0.287 0.000 1.369 451 H HN 0.207 nan 8.280 nan 0.000 0.492 452 A N 1.563 123.957 122.820 -0.710 0.000 1.892 452 A HA -0.219 4.100 4.320 -0.003 0.000 0.218 452 A C 2.421 179.898 177.584 -0.179 0.000 1.188 452 A CA 1.878 53.682 52.037 -0.389 0.000 0.631 452 A CB -0.747 18.017 19.000 -0.393 0.000 0.822 452 A HN 0.626 nan 8.150 nan 0.000 0.447 453 E N -1.240 118.857 120.200 -0.170 0.000 2.077 453 E HA -0.212 4.136 4.350 -0.003 0.000 0.193 453 E C 2.075 178.591 176.600 -0.140 0.000 0.989 453 E CA 1.372 57.722 56.400 -0.083 0.000 0.800 453 E CB -0.202 29.490 29.700 -0.014 0.000 0.746 453 E HN 0.696 nan 8.360 nan 0.000 0.452 454 M N 0.323 119.679 119.600 -0.406 0.000 2.159 454 M HA -0.189 4.290 4.480 -0.003 0.000 0.263 454 M C 2.022 178.289 176.300 -0.055 0.000 1.063 454 M CA 1.313 56.207 55.300 -0.677 0.000 1.110 454 M CB 0.098 32.308 32.600 -0.649 0.000 1.374 454 M HN 0.093 nan 8.290 nan 0.000 0.411 455 L N -0.798 120.461 121.223 0.061 0.000 2.095 455 L HA -0.163 4.175 4.340 -0.003 0.000 0.204 455 L C 2.359 179.409 176.870 0.300 0.000 1.080 455 L CA 0.617 55.654 54.840 0.329 0.000 0.759 455 L CB -0.489 41.768 42.059 0.331 0.000 0.914 455 L HN 0.308 nan 8.230 nan 0.000 0.439 456 M N -0.391 119.233 119.600 0.040 0.000 2.374 456 M HA -0.089 4.389 4.480 -0.003 0.000 0.264 456 M C 2.462 178.641 176.300 -0.202 0.000 1.067 456 M CA 1.384 56.514 55.300 -0.283 0.000 1.103 456 M CB -1.255 31.260 32.600 -0.142 0.000 1.402 456 M HN 0.373 nan 8.290 nan 0.000 0.444 457 S N -1.385 114.358 115.700 0.072 0.000 2.562 457 S HA -0.063 4.405 4.470 -0.003 0.000 0.221 457 S C 0.624 175.380 174.600 0.259 0.000 0.975 457 S CA -0.539 57.763 58.200 0.170 0.000 0.918 457 S CB -0.366 62.995 63.200 0.267 0.000 0.772 457 S HN 0.522 nan 8.310 nan 0.000 0.531 458 W N 3.822 125.240 121.300 0.196 0.000 2.347 458 W HA 0.123 4.781 4.660 -0.003 0.000 0.333 458 W C -0.073 176.570 176.519 0.207 0.000 1.383 458 W CA -0.155 57.344 57.345 0.256 0.000 1.283 458 W CB 0.262 29.949 29.460 0.379 0.000 1.253 458 W HN 0.306 nan 8.180 nan 0.000 0.563 459 R N 4.249 124.833 120.500 0.140 0.000 3.572 459 R HA 0.171 4.510 4.340 -0.003 0.000 0.186 459 R C -0.584 175.786 176.300 0.118 0.000 1.727 459 R CA -0.084 56.076 56.100 0.100 0.000 1.267 459 R CB -0.430 29.876 30.300 0.009 0.000 1.318 459 R HN 0.057 nan 8.270 nan 0.000 0.718 460 V N 1.033 120.974 119.914 0.046 0.000 3.012 460 V HA 0.072 4.190 4.120 -0.003 0.000 0.307 460 V C 0.343 176.250 176.094 -0.310 0.000 1.166 460 V CA -0.889 61.293 62.300 -0.197 0.000 0.974 460 V CB 2.558 34.112 31.823 -0.448 0.000 1.040 460 V HN 0.489 nan 8.190 nan 0.000 0.428 461 N N 1.114 119.661 118.700 -0.255 0.000 2.109 461 N HA -0.056 4.682 4.740 -0.003 0.000 0.188 461 N C 0.130 175.474 175.510 -0.275 0.000 1.034 461 N CA 0.908 53.849 53.050 -0.182 0.000 0.846 461 N CB 0.158 38.581 38.487 -0.107 0.000 1.010 461 N HN 0.758 nan 8.380 nan 0.000 0.425 462 D N -0.131 120.042 120.400 -0.378 0.000 2.329 462 D HA 0.133 4.771 4.640 -0.003 0.000 0.232 462 D C -1.258 174.655 176.300 -0.644 0.000 1.088 462 D CA -0.544 53.249 54.000 -0.344 0.000 0.835 462 D CB 0.434 41.124 40.800 -0.184 0.000 1.078 462 D HN 0.181 nan 8.370 nan 0.000 0.495 463 H N 2.521 121.388 119.070 -0.339 0.000 2.652 463 H HA 0.237 4.792 4.556 -0.003 0.000 0.233 463 H C -0.433 174.652 175.328 -0.405 0.000 1.762 463 H CA -0.566 55.156 56.048 -0.543 0.000 1.285 463 H CB 0.294 29.884 29.762 -0.287 0.000 1.668 463 H HN 0.011 nan 8.280 nan 0.000 0.550 464 K N 2.247 122.542 120.400 -0.176 0.000 2.316 464 K HA 0.227 4.546 4.320 -0.003 0.000 0.289 464 K C -1.196 175.287 176.600 -0.196 0.000 1.070 464 K CA -0.144 56.086 56.287 -0.095 0.000 0.928 464 K CB -0.016 32.467 32.500 -0.029 0.000 1.039 464 K HN 0.154 nan 8.250 nan 0.000 0.480 465 F N 0.835 120.878 119.950 0.155 0.000 2.509 465 F HA 0.411 4.937 4.527 -0.002 0.000 0.334 465 F C 1.019 176.807 175.800 -0.020 0.000 1.060 465 F CA -0.776 57.254 58.000 0.050 0.000 0.997 465 F CB 1.213 40.268 39.000 0.092 0.000 1.271 465 F HN 0.475 nan 8.300 nan 0.000 0.488 466 T N -2.095 112.521 114.554 0.103 0.000 2.922 466 T HA 0.320 4.668 4.350 -0.003 0.000 0.285 466 T C -2.182 172.516 174.700 -0.003 0.000 1.005 466 T CA -1.931 60.171 62.100 0.003 0.000 1.061 466 T CB 1.576 70.400 68.868 -0.074 0.000 1.007 466 T HN 0.228 nan 8.240 nan 0.000 0.502 467 P HA -0.097 nan 4.420 nan 0.000 0.216 467 P C 1.553 178.817 177.300 -0.060 0.000 1.150 467 P CA 0.393 63.481 63.100 -0.020 0.000 0.843 467 P CB -0.011 31.678 31.700 -0.019 0.000 0.787 468 L N -1.208 119.956 121.223 -0.097 0.000 2.093 468 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 468 L C 2.135 178.868 176.870 -0.228 0.000 1.085 468 L CA 1.708 56.462 54.840 -0.142 0.000 0.755 468 L CB -1.199 40.769 42.059 -0.150 0.000 0.904 468 L HN -0.095 nan 8.230 nan 0.000 0.435 469 L N -1.833 119.213 121.223 -0.295 0.000 2.093 469 L HA -0.240 4.098 4.340 -0.003 0.000 0.208 469 L C 2.563 179.251 176.870 -0.304 0.000 1.085 469 L CA 1.097 55.624 54.840 -0.522 0.000 0.755 469 L CB -0.677 41.030 42.059 -0.587 0.000 0.904 469 L HN 0.367 nan 8.230 nan 0.000 0.435 470 C N -0.244 118.983 119.300 -0.121 0.000 2.429 470 C HA -0.164 4.294 4.460 -0.003 0.000 0.277 470 C C 2.668 177.644 174.990 -0.023 0.000 1.262 470 C CA 0.663 59.657 59.018 -0.040 0.000 1.733 470 C CB -0.690 27.064 27.740 0.023 0.000 2.010 470 C HN 0.500 nan 8.230 nan 0.000 0.483 471 E N 0.002 120.173 120.200 -0.048 0.000 2.106 471 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 471 E C 2.059 178.653 176.600 -0.011 0.000 0.984 471 E CA 0.900 57.284 56.400 -0.028 0.000 0.806 471 E CB 0.006 29.678 29.700 -0.046 0.000 0.750 471 E HN 0.491 nan 8.360 nan 0.000 0.458 472 I N -0.560 119.976 120.570 -0.056 0.000 2.400 472 I HA -0.157 4.012 4.170 -0.003 0.000 0.248 472 I C 1.432 177.655 176.117 0.177 0.000 1.109 472 I CA 0.858 62.149 61.300 -0.015 0.000 1.425 472 I CB -0.448 37.452 38.000 -0.166 0.000 1.094 472 I HN 0.301 nan 8.210 nan 0.000 0.425 473 W N 1.025 122.279 121.300 -0.076 0.000 3.077 473 W HA 0.140 4.798 4.660 -0.003 0.000 0.266 473 W C 0.127 176.721 176.519 0.125 0.000 1.300 473 W CA -0.519 56.805 57.345 -0.035 0.000 1.586 473 W CB -0.726 28.650 29.460 -0.141 0.000 1.103 473 W HN 0.196 nan 8.180 nan 0.000 0.652 474 D N 0.667 121.201 120.400 0.224 0.000 2.746 474 D HA -0.137 4.502 4.640 -0.003 0.000 0.241 474 D C -0.276 176.068 176.300 0.074 0.000 1.140 474 D CA 1.070 55.151 54.000 0.134 0.000 0.707 474 D CB -1.421 39.467 40.800 0.145 0.000 1.034 474 D HN 0.100 nan 8.370 nan 0.000 0.423 475 V N -2.893 117.026 119.914 0.007 0.000 2.914 475 V HA 0.710 4.829 4.120 -0.003 0.000 0.314 475 V C 0.480 176.592 176.094 0.031 0.000 1.084 475 V CA -0.796 61.448 62.300 -0.094 0.000 0.963 475 V CB 2.211 33.691 31.823 -0.572 0.000 1.025 475 V HN 0.404 nan 8.190 nan 0.000 0.432 476 Q N 0.000 119.889 119.800 0.149 0.000 2.315 476 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 476 Q CA 0.000 55.921 55.803 0.196 0.000 1.022 476 Q CB 0.000 28.908 28.738 0.284 0.000 1.108 476 Q HN 0.000 nan 8.270 nan 0.000 0.481