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 1ot7_1_A DATA FIRST_RESID 240 DATA SEQUENCE TELTVDQQTL LDYIMDSYSK QRMPQEITNK ILKEEFSAEE NFLILTEMAT DATA SEQUENCE SHVQILVEFT KRLPGFQTLD HEDQIALLKG SAVEAMFLRS AEIFNKKLPA DATA SEQUENCE GHADLLEERI RKSGISDEYI TPMFSFYKSV GELKMTQEEY ALLTAIVILS DATA SEQUENCE PDRQYIKDRE AVEKLQEPLL DVLQKLCKIY QPENPQHFAC LLGRLTELRT DATA SEQUENCE FNHHHAEMLM SWRVNDHKFT PLLCEIWDV 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 240 T HA 0.000 nan 4.350 nan 0.000 0.228 240 T C 0.000 174.648 174.700 -0.086 0.000 1.109 240 T CA 0.000 62.043 62.100 -0.095 0.000 1.349 240 T CB 0.000 68.821 68.868 -0.078 0.000 0.612 241 E N 0.400 120.548 120.200 -0.087 0.000 4.510 241 E HA 0.710 5.063 4.350 0.005 0.000 0.543 241 E C 0.381 176.933 176.600 -0.080 0.000 1.470 241 E CA -0.250 56.106 56.400 -0.074 0.000 3.557 241 E CB 0.315 29.971 29.700 -0.073 0.000 1.518 241 E HN 0.972 nan 8.360 nan 0.000 0.505 242 L N -0.419 120.760 121.223 -0.072 0.000 1.266 242 L HA -0.083 4.260 4.340 0.005 0.000 0.658 242 L C -0.225 176.618 176.870 -0.045 0.000 1.074 242 L CA 0.655 55.456 54.840 -0.065 0.000 1.371 242 L CB -2.037 39.977 42.059 -0.075 0.000 2.231 242 L HN 0.744 nan 8.230 nan 0.000 1.044 243 T N -0.599 113.930 114.554 -0.041 0.000 2.724 243 T HA 0.395 4.748 4.350 0.005 0.000 0.324 243 T C 1.731 176.418 174.700 -0.022 0.000 1.071 243 T CA 0.235 62.317 62.100 -0.030 0.000 1.061 243 T CB 0.771 69.621 68.868 -0.029 0.000 0.990 243 T HN 1.480 nan 8.240 nan 0.000 0.543 244 V N -0.714 119.190 119.914 -0.017 0.000 2.307 244 V HA -0.062 4.061 4.120 0.005 0.000 0.245 244 V C 2.123 178.212 176.094 -0.008 0.000 1.045 244 V CA 1.889 64.183 62.300 -0.010 0.000 1.024 244 V CB -1.204 30.615 31.823 -0.007 0.000 0.651 244 V HN 0.799 nan 8.190 nan 0.000 0.449 245 D N 0.287 120.679 120.400 -0.013 0.000 2.149 245 D HA -0.176 4.467 4.640 0.005 0.000 0.198 245 D C 2.344 178.635 176.300 -0.016 0.000 0.990 245 D CA 1.901 55.892 54.000 -0.015 0.000 0.839 245 D CB -0.271 40.517 40.800 -0.020 0.000 0.948 245 D HN 0.678 nan 8.370 nan 0.000 0.460 246 Q N -0.139 119.651 119.800 -0.017 0.000 1.994 246 Q HA -0.145 4.198 4.340 0.005 0.000 0.198 246 Q C 2.181 178.180 176.000 -0.002 0.000 0.976 246 Q CA 0.979 56.773 55.803 -0.015 0.000 0.828 246 Q CB -0.184 28.538 28.738 -0.027 0.000 0.894 246 Q HN 0.112 nan 8.270 nan 0.000 0.432 247 Q N 0.584 120.383 119.800 -0.001 0.000 2.197 247 Q HA -0.170 4.173 4.340 0.005 0.000 0.207 247 Q C 1.762 177.780 176.000 0.031 0.000 0.984 247 Q CA 2.062 57.872 55.803 0.012 0.000 0.869 247 Q CB -0.311 28.430 28.738 0.006 0.000 0.906 247 Q HN 0.307 nan 8.270 nan 0.000 0.426 248 T N 0.486 115.055 114.554 0.026 0.000 2.564 248 T HA -0.177 4.176 4.350 0.005 0.000 0.259 248 T C 1.580 176.318 174.700 0.064 0.000 1.087 248 T CA 1.275 63.402 62.100 0.044 0.000 1.184 248 T CB -0.672 68.210 68.868 0.024 0.000 0.864 248 T HN 0.281 nan 8.240 nan 0.000 0.403 249 L N 0.950 122.186 121.223 0.022 0.000 2.030 249 L HA -0.160 4.183 4.340 0.005 0.000 0.222 249 L C 2.321 179.235 176.870 0.073 0.000 1.082 249 L CA 1.739 56.585 54.840 0.010 0.000 0.785 249 L CB -0.906 41.139 42.059 -0.024 0.000 0.895 249 L HN 0.278 nan 8.230 nan 0.000 0.439 250 L N -0.996 120.263 121.223 0.060 0.000 2.083 250 L HA -0.212 4.131 4.340 0.005 0.000 0.209 250 L C 2.078 179.006 176.870 0.098 0.000 1.083 250 L CA 1.925 56.810 54.840 0.075 0.000 0.752 250 L CB -0.884 41.209 42.059 0.058 0.000 0.899 250 L HN 0.345 nan 8.230 nan 0.000 0.433 251 D N -1.652 118.805 120.400 0.096 0.000 2.117 251 D HA -0.233 4.410 4.640 0.005 0.000 0.198 251 D C 1.931 178.305 176.300 0.122 0.000 0.982 251 D CA 1.513 55.569 54.000 0.093 0.000 0.828 251 D CB -0.160 40.684 40.800 0.072 0.000 0.967 251 D HN 0.515 nan 8.370 nan 0.000 0.464 252 Y N 1.390 121.692 120.300 0.004 0.000 2.089 252 Y HA -0.232 4.321 4.550 0.005 0.000 0.282 252 Y C 2.297 178.187 175.900 -0.018 0.000 1.139 252 Y CA 1.249 59.342 58.100 -0.011 0.000 1.123 252 Y CB -0.130 38.317 38.460 -0.021 0.000 0.980 252 Y HN -0.167 nan 8.280 nan 0.000 0.493 253 I N 0.383 121.162 120.570 0.348 0.000 2.151 253 I HA -0.363 3.810 4.170 0.005 0.000 0.243 253 I C 2.208 178.426 176.117 0.168 0.000 1.080 253 I CA 1.706 63.128 61.300 0.203 0.000 1.339 253 I CB -1.161 36.930 38.000 0.151 0.000 1.039 253 I HN 0.453 nan 8.210 nan 0.000 0.409 254 M N -0.264 119.424 119.600 0.146 0.000 2.460 254 M HA -0.179 4.304 4.480 0.005 0.000 0.263 254 M C 1.789 178.176 176.300 0.145 0.000 1.071 254 M CA 1.238 56.634 55.300 0.159 0.000 1.096 254 M CB -1.287 31.378 32.600 0.108 0.000 1.408 254 M HN 0.268 nan 8.290 nan 0.000 0.463 255 D N -0.246 120.185 120.400 0.053 0.000 2.107 255 D HA -0.109 4.534 4.640 0.005 0.000 0.204 255 D C 2.012 178.299 176.300 -0.022 0.000 0.978 255 D CA 1.732 55.716 54.000 -0.026 0.000 0.852 255 D CB 0.006 40.720 40.800 -0.145 0.000 1.008 255 D HN 0.154 nan 8.370 nan 0.000 0.458 256 S N -1.751 113.889 115.700 -0.100 0.000 2.402 256 S HA -0.250 4.223 4.470 0.005 0.000 0.233 256 S C 1.969 176.664 174.600 0.158 0.000 1.030 256 S CA 1.161 59.301 58.200 -0.101 0.000 1.003 256 S CB -0.726 62.303 63.200 -0.286 0.000 0.813 256 S HN 0.462 nan 8.310 nan 0.000 0.477 257 Y N 2.484 122.897 120.300 0.188 0.000 2.200 257 Y HA 0.014 4.567 4.550 0.005 0.000 0.290 257 Y C 2.212 178.200 175.900 0.146 0.000 1.137 257 Y CA 1.598 59.916 58.100 0.363 0.000 1.163 257 Y CB -0.370 38.277 38.460 0.311 0.000 0.988 257 Y HN 0.395 nan 8.280 nan 0.000 0.518 258 S N -0.669 115.087 115.700 0.095 0.000 2.582 258 S HA 0.228 4.701 4.470 0.005 0.000 0.249 258 S C 1.063 175.634 174.600 -0.048 0.000 1.072 258 S CA -0.528 57.646 58.200 -0.043 0.000 1.115 258 S CB 0.226 63.442 63.200 0.026 0.000 0.790 258 S HN 0.340 nan 8.310 nan 0.000 0.459 259 K N 0.946 121.320 120.400 -0.043 0.000 2.118 259 K HA 0.102 4.424 4.320 0.005 0.000 0.214 259 K C 2.005 178.568 176.600 -0.062 0.000 1.023 259 K CA 0.410 56.669 56.287 -0.047 0.000 0.948 259 K CB -0.168 32.307 32.500 -0.042 0.000 0.851 259 K HN 0.170 nan 8.250 nan 0.000 0.455 260 Q N 0.869 120.631 119.800 -0.064 0.000 1.906 260 Q HA -0.206 4.137 4.340 0.005 0.000 0.221 260 Q C 0.151 176.096 176.000 -0.091 0.000 1.021 260 Q CA 1.445 57.204 55.803 -0.073 0.000 0.880 260 Q CB -0.441 28.249 28.738 -0.079 0.000 0.966 260 Q HN 0.314 nan 8.270 nan 0.000 0.418 261 R N -1.322 119.100 120.500 -0.131 0.000 1.375 261 R HA -0.134 4.208 4.340 0.005 0.000 0.445 261 R C -0.674 175.563 176.300 -0.104 0.000 1.333 261 R CA 0.068 56.089 56.100 -0.132 0.000 1.298 261 R CB -0.286 29.953 30.300 -0.101 0.000 3.461 261 R HN 0.284 nan 8.270 nan 0.000 0.516 262 M N 3.856 123.398 119.600 -0.098 0.000 2.217 262 M HA 0.151 4.634 4.480 0.005 0.000 0.352 262 M C -1.816 174.456 176.300 -0.047 0.000 1.376 262 M CA -1.281 53.979 55.300 -0.068 0.000 1.107 262 M CB 0.207 32.773 32.600 -0.056 0.000 1.723 262 M HN 0.346 nan 8.290 nan 0.000 0.461 263 P HA -0.024 nan 4.420 nan 0.000 0.264 263 P C 0.674 177.961 177.300 -0.022 0.000 1.183 263 P CA -0.076 63.005 63.100 -0.032 0.000 0.763 263 P CB 0.490 32.170 31.700 -0.032 0.000 0.807 264 Q N 2.087 121.877 119.800 -0.017 0.000 2.112 264 Q HA -0.253 4.090 4.340 0.005 0.000 0.206 264 Q C 1.797 177.787 176.000 -0.017 0.000 0.987 264 Q CA 1.788 57.585 55.803 -0.010 0.000 0.858 264 Q CB -0.256 28.478 28.738 -0.008 0.000 0.905 264 Q HN 0.649 nan 8.270 nan 0.000 0.420 265 E N 0.386 120.573 120.200 -0.021 0.000 2.013 265 E HA -0.202 4.150 4.350 0.005 0.000 0.202 265 E C 2.080 178.663 176.600 -0.028 0.000 1.018 265 E CA 1.356 57.740 56.400 -0.025 0.000 0.834 265 E CB -0.196 29.489 29.700 -0.025 0.000 0.770 265 E HN 0.331 nan 8.360 nan 0.000 0.459 266 I N 0.860 121.414 120.570 -0.028 0.000 2.335 266 I HA -0.266 3.907 4.170 0.005 0.000 0.251 266 I C 2.426 178.530 176.117 -0.021 0.000 1.129 266 I CA 1.242 62.526 61.300 -0.028 0.000 1.402 266 I CB -0.525 37.457 38.000 -0.030 0.000 1.069 266 I HN 0.258 nan 8.210 nan 0.000 0.424 267 T N 1.582 116.128 114.554 -0.013 0.000 2.564 267 T HA -0.170 4.183 4.350 0.005 0.000 0.259 267 T C 1.496 176.178 174.700 -0.030 0.000 1.087 267 T CA 2.033 64.138 62.100 0.008 0.000 1.184 267 T CB -0.664 68.227 68.868 0.039 0.000 0.864 267 T HN 0.490 nan 8.240 nan 0.000 0.403 268 N N 1.530 120.182 118.700 -0.081 0.000 2.513 268 N HA -0.108 4.635 4.740 0.005 0.000 0.187 268 N C 1.318 176.755 175.510 -0.121 0.000 1.056 268 N CA 0.836 53.773 53.050 -0.188 0.000 0.907 268 N CB -0.388 38.007 38.487 -0.153 0.000 0.954 268 N HN 0.351 nan 8.380 nan 0.000 0.445 269 K N 0.523 120.884 120.400 -0.065 0.000 2.360 269 K HA -0.071 4.251 4.320 0.005 0.000 0.201 269 K C 1.571 178.155 176.600 -0.027 0.000 1.046 269 K CA 1.173 57.436 56.287 -0.040 0.000 0.940 269 K CB -0.187 32.295 32.500 -0.030 0.000 0.748 269 K HN 0.634 nan 8.250 nan 0.000 0.465 270 I N -2.677 117.874 120.570 -0.031 0.000 3.035 270 I HA -0.047 4.126 4.170 0.005 0.000 0.271 270 I C 1.814 177.927 176.117 -0.007 0.000 1.190 270 I CA 0.188 61.488 61.300 0.000 0.000 1.472 270 I CB -0.121 37.899 38.000 0.033 0.000 1.116 270 I HN -0.026 nan 8.210 nan 0.000 0.443 271 L N 1.932 123.106 121.223 -0.082 0.000 1.993 271 L HA 0.152 4.495 4.340 0.005 0.000 0.206 271 L C 1.188 178.039 176.870 -0.032 0.000 1.074 271 L CA 1.752 56.539 54.840 -0.089 0.000 0.746 271 L CB -0.559 41.352 42.059 -0.247 0.000 0.896 271 L HN 0.160 nan 8.230 nan 0.000 0.435 272 K N -0.104 120.269 120.400 -0.045 0.000 2.318 272 K HA 0.340 4.663 4.320 0.005 0.000 0.243 272 K C -0.230 176.374 176.600 0.007 0.000 1.047 272 K CA -0.271 56.008 56.287 -0.015 0.000 0.937 272 K CB 0.057 32.542 32.500 -0.025 0.000 1.225 272 K HN 0.268 nan 8.250 nan 0.000 0.506 273 E N -0.230 119.980 120.200 0.016 0.000 8.696 273 E HA -0.236 4.117 4.350 0.005 0.000 0.467 273 E C -1.366 175.272 176.600 0.064 0.000 1.149 273 E CA 0.684 57.101 56.400 0.029 0.000 1.997 273 E CB 0.080 29.790 29.700 0.017 0.000 1.008 273 E HN 0.545 nan 8.360 nan 0.000 0.278 274 E N 1.222 121.475 120.200 0.089 0.000 2.369 274 E HA 0.399 4.752 4.350 0.005 0.000 0.270 274 E C -0.041 176.702 176.600 0.239 0.000 0.909 274 E CA -0.738 55.761 56.400 0.165 0.000 0.775 274 E CB 0.681 30.463 29.700 0.136 0.000 1.270 274 E HN 0.340 nan 8.360 nan 0.000 0.445 275 F N 1.467 121.440 119.950 0.039 0.000 3.326 275 F HA -0.428 4.102 4.527 0.005 0.000 0.292 275 F C 0.724 176.560 175.800 0.060 0.000 1.379 275 F CA 2.105 60.136 58.000 0.053 0.000 1.226 275 F CB -1.046 37.982 39.000 0.047 0.000 0.725 275 F HN 0.544 nan 8.300 nan 0.000 0.683 276 S N -1.941 113.948 115.700 0.315 0.000 2.935 276 S HA 0.098 4.570 4.470 0.005 0.000 0.851 276 S C 0.391 175.072 174.600 0.134 0.000 0.902 276 S CA 0.112 58.423 58.200 0.185 0.000 1.428 276 S CB -1.083 62.197 63.200 0.134 0.000 1.024 276 S HN 1.244 nan 8.310 nan 0.000 0.334 277 A N 2.937 125.841 122.820 0.139 0.000 1.978 277 A HA -0.175 4.148 4.320 0.005 0.000 0.220 277 A C 1.925 179.610 177.584 0.167 0.000 1.170 277 A CA 1.926 54.046 52.037 0.138 0.000 0.636 277 A CB -0.483 18.592 19.000 0.125 0.000 0.810 277 A HN 1.017 nan 8.150 nan 0.000 0.448 278 E N -0.797 119.497 120.200 0.157 0.000 2.170 278 E HA -0.138 4.215 4.350 0.005 0.000 0.191 278 E C 1.785 178.443 176.600 0.096 0.000 0.981 278 E CA 1.056 57.571 56.400 0.192 0.000 0.830 278 E CB -0.235 29.669 29.700 0.341 0.000 0.775 278 E HN 0.481 nan 8.360 nan 0.000 0.470 279 E N 1.602 121.849 120.200 0.078 0.000 2.028 279 E HA -0.143 4.210 4.350 0.005 0.000 0.190 279 E C 1.860 178.493 176.600 0.054 0.000 0.984 279 E CA 1.419 57.840 56.400 0.035 0.000 0.800 279 E CB -0.239 29.490 29.700 0.049 0.000 0.758 279 E HN 0.198 nan 8.360 nan 0.000 0.448 280 N N 0.063 118.811 118.700 0.080 0.000 2.061 280 N HA -0.209 4.534 4.740 0.005 0.000 0.193 280 N C 1.793 177.389 175.510 0.143 0.000 1.030 280 N CA 1.449 54.546 53.050 0.079 0.000 0.856 280 N CB -0.636 37.880 38.487 0.048 0.000 1.023 280 N HN 0.263 nan 8.380 nan 0.000 0.424 281 F N 1.787 121.770 119.950 0.055 0.000 2.126 281 F HA -0.104 4.425 4.527 0.004 0.000 0.299 281 F C 2.199 177.967 175.800 -0.053 0.000 1.096 281 F CA 1.096 59.121 58.000 0.042 0.000 1.255 281 F CB -0.349 38.609 39.000 -0.071 0.000 0.997 281 F HN -0.054 nan 8.300 nan 0.000 0.479 282 L N -0.060 121.143 121.223 -0.033 0.000 2.017 282 L HA -0.241 4.102 4.340 0.005 0.000 0.208 282 L C 2.543 179.302 176.870 -0.184 0.000 1.073 282 L CA 1.497 56.227 54.840 -0.184 0.000 0.745 282 L CB -0.716 41.268 42.059 -0.124 0.000 0.894 282 L HN 0.233 nan 8.230 nan 0.000 0.432 283 I N -0.658 119.859 120.570 -0.089 0.000 2.058 283 I HA -0.350 3.823 4.170 0.005 0.000 0.235 283 I C 2.444 178.522 176.117 -0.064 0.000 1.053 283 I CA 1.237 62.502 61.300 -0.058 0.000 1.313 283 I CB -0.236 37.757 38.000 -0.012 0.000 1.039 283 I HN 0.165 nan 8.210 nan 0.000 0.396 284 L N 0.227 121.436 121.223 -0.023 0.000 2.021 284 L HA -0.292 4.051 4.340 0.005 0.000 0.215 284 L C 2.669 179.505 176.870 -0.057 0.000 1.074 284 L CA 2.287 57.144 54.840 0.029 0.000 0.760 284 L CB -1.533 40.622 42.059 0.160 0.000 0.889 284 L HN 0.295 nan 8.230 nan 0.000 0.433 285 T N -1.749 112.650 114.554 -0.259 0.000 2.929 285 T HA -0.190 4.163 4.350 0.005 0.000 0.271 285 T C 1.830 176.374 174.700 -0.259 0.000 1.085 285 T CA 1.369 63.250 62.100 -0.366 0.000 1.125 285 T CB 0.051 68.401 68.868 -0.862 0.000 0.874 285 T HN 0.476 nan 8.240 nan 0.000 0.494 286 E N -0.037 120.046 120.200 -0.194 0.000 2.021 286 E HA -0.075 4.278 4.350 0.005 0.000 0.189 286 E C 2.251 178.789 176.600 -0.103 0.000 0.980 286 E CA 0.868 57.185 56.400 -0.138 0.000 0.803 286 E CB -0.168 29.470 29.700 -0.105 0.000 0.766 286 E HN 0.523 nan 8.360 nan 0.000 0.449 287 M N 0.908 120.466 119.600 -0.070 0.000 2.163 287 M HA -0.261 4.222 4.480 0.005 0.000 0.258 287 M C 2.598 178.880 176.300 -0.029 0.000 1.071 287 M CA 1.950 57.230 55.300 -0.034 0.000 1.093 287 M CB -0.685 31.911 32.600 -0.008 0.000 1.285 287 M HN 0.250 nan 8.290 nan 0.000 0.420 288 A N 0.180 122.970 122.820 -0.050 0.000 1.940 288 A HA -0.229 4.094 4.320 0.005 0.000 0.221 288 A C 2.196 179.703 177.584 -0.129 0.000 1.190 288 A CA 2.688 54.677 52.037 -0.080 0.000 0.647 288 A CB -1.500 17.415 19.000 -0.142 0.000 0.821 288 A HN 0.617 nan 8.150 nan 0.000 0.457 289 T N -0.812 113.636 114.554 -0.177 0.000 2.788 289 T HA -0.117 4.236 4.350 0.005 0.000 0.268 289 T C 2.210 176.864 174.700 -0.077 0.000 1.044 289 T CA 1.563 63.564 62.100 -0.165 0.000 1.139 289 T CB -0.321 68.452 68.868 -0.157 0.000 0.867 289 T HN 0.589 nan 8.240 nan 0.000 0.454 290 S N 0.821 116.493 115.700 -0.047 0.000 2.335 290 S HA -0.219 4.254 4.470 0.005 0.000 0.216 290 S C 2.081 176.683 174.600 0.003 0.000 1.032 290 S CA 1.207 59.390 58.200 -0.028 0.000 1.000 290 S CB -0.698 62.485 63.200 -0.029 0.000 0.928 290 S HN 0.633 nan 8.310 nan 0.000 0.434 291 H N 1.173 120.194 119.070 -0.082 0.000 2.368 291 H HA -0.110 4.449 4.556 0.005 0.000 0.292 291 H C 2.017 177.301 175.328 -0.073 0.000 1.117 291 H CA 2.178 58.175 56.048 -0.084 0.000 1.231 291 H CB -0.735 28.983 29.762 -0.074 0.000 1.359 291 H HN 0.328 nan 8.280 nan 0.000 0.490 292 V N 1.042 121.063 119.914 0.179 0.000 2.490 292 V HA -0.242 3.881 4.120 0.005 0.000 0.250 292 V C 2.688 178.792 176.094 0.016 0.000 1.061 292 V CA 2.013 64.383 62.300 0.116 0.000 1.064 292 V CB -0.508 31.335 31.823 0.033 0.000 0.670 292 V HN 0.414 nan 8.190 nan 0.000 0.461 293 Q N -0.504 119.285 119.800 -0.018 0.000 2.020 293 Q HA -0.078 4.265 4.340 0.005 0.000 0.198 293 Q C 2.315 178.284 176.000 -0.051 0.000 0.974 293 Q CA 1.628 57.413 55.803 -0.031 0.000 0.829 293 Q CB -0.168 28.549 28.738 -0.034 0.000 0.894 293 Q HN 0.540 nan 8.270 nan 0.000 0.433 294 I N 0.592 121.105 120.570 -0.096 0.000 2.068 294 I HA -0.357 3.816 4.170 0.005 0.000 0.238 294 I C 2.400 178.443 176.117 -0.124 0.000 1.046 294 I CA 1.187 62.407 61.300 -0.133 0.000 1.306 294 I CB -0.437 37.419 38.000 -0.239 0.000 1.023 294 I HN 0.268 nan 8.210 nan 0.000 0.399 295 L N 0.785 121.880 121.223 -0.213 0.000 2.010 295 L HA -0.255 4.088 4.340 0.005 0.000 0.219 295 L C 2.352 179.203 176.870 -0.032 0.000 1.077 295 L CA 1.901 56.640 54.840 -0.167 0.000 0.773 295 L CB -0.442 41.535 42.059 -0.137 0.000 0.892 295 L HN 0.035 nan 8.230 nan 0.000 0.436 296 V N -0.272 119.628 119.914 -0.023 0.000 2.982 296 V HA -0.198 3.925 4.120 0.005 0.000 0.265 296 V C 2.405 178.496 176.094 -0.005 0.000 1.122 296 V CA 1.469 63.762 62.300 -0.011 0.000 1.143 296 V CB -0.910 30.917 31.823 0.007 0.000 0.726 296 V HN 0.493 nan 8.190 nan 0.000 0.507 297 E N -0.653 119.556 120.200 0.014 0.000 2.075 297 E HA -0.019 4.334 4.350 0.005 0.000 0.190 297 E C 1.856 178.491 176.600 0.059 0.000 0.969 297 E CA 0.656 57.070 56.400 0.025 0.000 0.815 297 E CB -0.347 29.361 29.700 0.012 0.000 0.776 297 E HN 0.589 nan 8.360 nan 0.000 0.457 298 F N 2.026 121.921 119.950 -0.092 0.000 2.065 298 F HA -0.283 4.247 4.527 0.005 0.000 0.298 298 F C 2.557 178.294 175.800 -0.104 0.000 1.112 298 F CA 2.361 60.321 58.000 -0.066 0.000 1.212 298 F CB -0.346 38.620 39.000 -0.055 0.000 0.975 298 F HN 0.065 nan 8.300 nan 0.000 0.476 299 T N -0.494 114.173 114.554 0.188 0.000 2.977 299 T HA -0.193 4.160 4.350 0.005 0.000 0.271 299 T C 1.682 176.006 174.700 -0.627 0.000 1.105 299 T CA 1.474 63.428 62.100 -0.243 0.000 1.116 299 T CB -0.476 68.165 68.868 -0.379 0.000 0.878 299 T HN 0.487 nan 8.240 nan 0.000 0.509 300 K N 1.698 121.940 120.400 -0.264 0.000 2.305 300 K HA 0.037 4.360 4.320 0.005 0.000 0.199 300 K C 1.676 178.308 176.600 0.052 0.000 1.047 300 K CA 0.583 56.837 56.287 -0.054 0.000 0.976 300 K CB -0.212 32.321 32.500 0.054 0.000 0.765 300 K HN 0.555 nan 8.250 nan 0.000 0.474 301 R N 0.585 121.071 120.500 -0.024 0.000 2.997 301 R HA 0.367 4.710 4.340 0.005 0.000 0.358 301 R C -1.126 175.186 176.300 0.019 0.000 1.191 301 R CA -0.638 55.480 56.100 0.031 0.000 1.113 301 R CB 0.078 30.379 30.300 0.002 0.000 1.433 301 R HN -0.023 nan 8.270 nan 0.000 0.584 302 L N 2.429 123.648 121.223 -0.006 0.000 2.313 302 L HA 0.508 4.851 4.340 0.005 0.000 0.283 302 L C -2.164 174.724 176.870 0.029 0.000 1.013 302 L CA -2.637 52.177 54.840 -0.043 0.000 0.816 302 L CB 1.656 43.669 42.059 -0.076 0.000 1.236 302 L HN 0.209 nan 8.230 nan 0.000 0.419 303 P HA -0.016 nan 4.420 nan 0.000 0.261 303 P C 0.857 178.157 177.300 -0.000 0.000 1.158 303 P CA 1.287 64.304 63.100 -0.138 0.000 0.758 303 P CB 0.443 31.977 31.700 -0.275 0.000 0.763 304 G N 2.889 111.697 108.800 0.013 0.000 2.328 304 G HA2 -0.423 3.540 3.960 0.005 0.000 0.256 304 G HA3 -0.423 3.540 3.960 0.005 0.000 0.256 304 G C 0.780 175.719 174.900 0.066 0.000 1.014 304 G CA 0.450 45.569 45.100 0.031 0.000 0.620 304 G HN 0.480 nan 8.290 nan 0.000 0.530 305 F N 1.542 121.497 119.950 0.008 0.000 2.045 305 F HA -0.173 4.356 4.527 0.004 0.000 0.297 305 F C 2.756 178.584 175.800 0.046 0.000 1.114 305 F CA 2.991 61.011 58.000 0.034 0.000 1.207 305 F CB -0.342 38.686 39.000 0.046 0.000 0.964 305 F HN 0.282 nan 8.300 nan 0.000 0.486 306 Q N -0.559 119.299 119.800 0.096 0.000 2.508 306 Q HA -0.102 4.241 4.340 0.005 0.000 0.214 306 Q C 1.850 177.814 176.000 -0.061 0.000 0.979 306 Q CA 1.647 57.461 55.803 0.018 0.000 0.911 306 Q CB -0.481 28.316 28.738 0.098 0.000 0.969 306 Q HN 0.422 nan 8.270 nan 0.000 0.504 307 T N -0.618 113.892 114.554 -0.074 0.000 3.023 307 T HA 0.084 4.437 4.350 0.005 0.000 0.266 307 T C 0.536 175.179 174.700 -0.096 0.000 1.093 307 T CA 0.136 62.198 62.100 -0.062 0.000 1.129 307 T CB 0.100 68.945 68.868 -0.038 0.000 0.899 307 T HN 0.119 nan 8.240 nan 0.000 0.491 308 L N 2.052 123.164 121.223 -0.185 0.000 2.452 308 L HA 0.198 4.541 4.340 0.005 0.000 0.267 308 L C 0.872 177.660 176.870 -0.137 0.000 1.188 308 L CA -0.620 54.108 54.840 -0.186 0.000 0.821 308 L CB 0.232 42.107 42.059 -0.307 0.000 1.102 308 L HN 0.185 nan 8.230 nan 0.000 0.470 309 D N 0.531 120.886 120.400 -0.074 0.000 2.601 309 D HA -0.185 4.458 4.640 0.005 0.000 0.229 309 D C 0.967 177.269 176.300 0.003 0.000 1.140 309 D CA 0.345 54.335 54.000 -0.018 0.000 0.862 309 D CB 0.690 41.487 40.800 -0.005 0.000 1.192 309 D HN 0.550 nan 8.370 nan 0.000 0.480 310 H N 3.524 122.559 119.070 -0.059 0.000 2.319 310 H HA -0.133 4.426 4.556 0.004 0.000 0.299 310 H C 1.511 176.827 175.328 -0.020 0.000 1.092 310 H CA 2.370 58.393 56.048 -0.042 0.000 1.302 310 H CB 0.298 30.050 29.762 -0.016 0.000 1.373 310 H HN 0.584 nan 8.280 nan 0.000 0.497 311 E N -0.210 119.978 120.200 -0.020 0.000 2.038 311 E HA -0.191 4.162 4.350 0.005 0.000 0.195 311 E C 1.939 178.507 176.600 -0.054 0.000 1.000 311 E CA 1.298 57.660 56.400 -0.063 0.000 0.803 311 E CB -0.076 29.620 29.700 -0.008 0.000 0.750 311 E HN 0.548 nan 8.360 nan 0.000 0.448 312 D N 0.690 121.075 120.400 -0.025 0.000 2.158 312 D HA -0.193 4.450 4.640 0.005 0.000 0.197 312 D C 1.974 178.269 176.300 -0.008 0.000 0.995 312 D CA 1.095 55.092 54.000 -0.005 0.000 0.846 312 D CB -0.263 40.525 40.800 -0.020 0.000 0.941 312 D HN 0.251 nan 8.370 nan 0.000 0.456 313 Q N -0.338 119.408 119.800 -0.090 0.000 2.061 313 Q HA -0.142 4.201 4.340 0.005 0.000 0.204 313 Q C 2.244 178.344 176.000 0.167 0.000 0.984 313 Q CA 0.723 56.512 55.803 -0.024 0.000 0.846 313 Q CB 0.039 28.687 28.738 -0.149 0.000 0.902 313 Q HN 0.301 nan 8.270 nan 0.000 0.421 314 I N 0.829 121.399 120.570 -0.000 0.000 2.076 314 I HA -0.291 3.881 4.170 0.005 0.000 0.237 314 I C 2.496 178.658 176.117 0.074 0.000 1.059 314 I CA 1.541 62.846 61.300 0.008 0.000 1.317 314 I CB -1.799 36.154 38.000 -0.077 0.000 1.037 314 I HN 0.161 nan 8.210 nan 0.000 0.398 315 A N 1.176 124.032 122.820 0.060 0.000 1.923 315 A HA -0.273 4.050 4.320 0.005 0.000 0.222 315 A C 2.434 180.101 177.584 0.140 0.000 1.258 315 A CA 2.342 54.444 52.037 0.107 0.000 0.670 315 A CB -1.294 17.777 19.000 0.119 0.000 0.834 315 A HN 0.491 nan 8.150 nan 0.000 0.470 316 L N -1.344 119.977 121.223 0.163 0.000 2.131 316 L HA -0.170 4.173 4.340 0.005 0.000 0.210 316 L C 2.616 179.588 176.870 0.170 0.000 1.092 316 L CA 1.048 56.003 54.840 0.192 0.000 0.759 316 L CB -0.364 41.871 42.059 0.293 0.000 0.903 316 L HN 0.421 nan 8.230 nan 0.000 0.435 317 L N -0.708 120.615 121.223 0.166 0.000 2.068 317 L HA -0.167 4.176 4.340 0.005 0.000 0.204 317 L C 2.634 179.567 176.870 0.105 0.000 1.076 317 L CA 0.813 55.724 54.840 0.118 0.000 0.753 317 L CB -0.280 41.844 42.059 0.110 0.000 0.910 317 L HN 0.109 nan 8.230 nan 0.000 0.439 318 K N 0.542 121.005 120.400 0.104 0.000 2.044 318 K HA -0.151 4.172 4.320 0.005 0.000 0.210 318 K C 1.897 178.565 176.600 0.113 0.000 1.049 318 K CA 1.754 58.103 56.287 0.104 0.000 0.927 318 K CB -0.861 31.695 32.500 0.092 0.000 0.713 318 K HN 0.257 nan 8.250 nan 0.000 0.443 319 G N -0.736 108.136 108.800 0.120 0.000 2.446 319 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 319 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 319 G C 1.513 176.469 174.900 0.093 0.000 1.168 319 G CA 1.367 46.535 45.100 0.113 0.000 0.771 319 G HN 0.500 nan 8.290 nan 0.000 0.551 320 S N 0.789 116.546 115.700 0.094 0.000 2.470 320 S HA 0.414 4.887 4.470 0.005 0.000 0.222 320 S C 2.561 177.198 174.600 0.061 0.000 1.024 320 S CA 1.052 59.301 58.200 0.081 0.000 0.931 320 S CB -0.145 63.109 63.200 0.090 0.000 0.791 320 S HN 0.638 nan 8.310 nan 0.000 0.513 321 A N 2.521 125.384 122.820 0.072 0.000 1.916 321 A HA -0.216 4.107 4.320 0.005 0.000 0.224 321 A C 2.342 179.926 177.584 0.000 0.000 1.366 321 A CA 2.724 54.811 52.037 0.084 0.000 0.692 321 A CB -1.639 17.446 19.000 0.142 0.000 0.841 321 A HN 0.495 nan 8.150 nan 0.000 0.480 322 V N -0.386 119.454 119.914 -0.122 0.000 2.244 322 V HA -0.269 3.854 4.120 0.005 0.000 0.244 322 V C 2.335 178.194 176.094 -0.392 0.000 1.042 322 V CA 2.281 64.311 62.300 -0.450 0.000 1.006 322 V CB -1.267 30.127 31.823 -0.714 0.000 0.641 322 V HN 0.699 nan 8.190 nan 0.000 0.446 323 E N 0.964 121.136 120.200 -0.047 0.000 2.065 323 E HA -0.319 4.034 4.350 0.005 0.000 0.201 323 E C 2.330 179.015 176.600 0.142 0.000 1.016 323 E CA 1.612 58.143 56.400 0.219 0.000 0.818 323 E CB -0.527 29.284 29.700 0.186 0.000 0.749 323 E HN 0.584 nan 8.360 nan 0.000 0.453 324 A N 2.174 125.033 122.820 0.066 0.000 1.869 324 A HA -0.286 4.037 4.320 0.005 0.000 0.218 324 A C 2.209 179.825 177.584 0.052 0.000 1.203 324 A CA 2.143 54.228 52.037 0.080 0.000 0.638 324 A CB -0.726 18.331 19.000 0.095 0.000 0.831 324 A HN 0.306 nan 8.150 nan 0.000 0.450 325 M N -1.118 118.408 119.600 -0.123 0.000 2.149 325 M HA -0.155 4.328 4.480 0.005 0.000 0.261 325 M C 1.978 178.125 176.300 -0.255 0.000 1.064 325 M CA 1.806 56.854 55.300 -0.420 0.000 1.102 325 M CB -0.880 31.355 32.600 -0.608 0.000 1.369 325 M HN 0.471 nan 8.290 nan 0.000 0.408 326 F N 0.601 120.516 119.950 -0.058 0.000 2.075 326 F HA -0.289 4.241 4.527 0.005 0.000 0.297 326 F C 2.387 178.138 175.800 -0.083 0.000 1.113 326 F CA 1.206 59.215 58.000 0.015 0.000 1.218 326 F CB -0.535 38.536 39.000 0.118 0.000 0.984 326 F HN 0.109 nan 8.300 nan 0.000 0.472 327 L N -0.439 120.897 121.223 0.189 0.000 1.990 327 L HA -0.288 4.055 4.340 0.005 0.000 0.213 327 L C 2.744 179.578 176.870 -0.060 0.000 1.072 327 L CA 1.288 56.192 54.840 0.107 0.000 0.755 327 L CB -0.653 41.505 42.059 0.166 0.000 0.889 327 L HN 0.097 nan 8.230 nan 0.000 0.432 328 R N -0.124 120.347 120.500 -0.049 0.000 2.080 328 R HA -0.151 4.191 4.340 0.005 0.000 0.236 328 R C 2.450 178.569 176.300 -0.303 0.000 1.137 328 R CA 1.934 57.959 56.100 -0.125 0.000 0.943 328 R CB -0.673 29.680 30.300 0.088 0.000 0.846 328 R HN 0.382 nan 8.270 nan 0.000 0.431 329 S N 0.897 116.407 115.700 -0.316 0.000 2.365 329 S HA -0.230 4.243 4.470 0.005 0.000 0.225 329 S C 2.105 176.279 174.600 -0.710 0.000 1.039 329 S CA 1.496 59.402 58.200 -0.490 0.000 1.033 329 S CB -0.437 62.589 63.200 -0.290 0.000 0.887 329 S HN 0.520 nan 8.310 nan 0.000 0.447 330 A N 1.575 123.940 122.820 -0.759 0.000 1.849 330 A HA -0.250 4.073 4.320 0.005 0.000 0.217 330 A C 2.092 179.462 177.584 -0.355 0.000 1.202 330 A CA 2.022 53.719 52.037 -0.567 0.000 0.629 330 A CB -1.038 17.817 19.000 -0.241 0.000 0.834 330 A HN 0.595 nan 8.150 nan 0.000 0.447 331 E N -0.548 119.311 120.200 -0.569 0.000 2.065 331 E HA -0.236 4.117 4.350 0.005 0.000 0.201 331 E C 1.956 178.273 176.600 -0.471 0.000 1.016 331 E CA 1.741 57.592 56.400 -0.915 0.000 0.818 331 E CB -0.225 28.755 29.700 -1.200 0.000 0.749 331 E HN 0.518 nan 8.360 nan 0.000 0.453 332 I N 0.323 120.615 120.570 -0.462 0.000 2.069 332 I HA -0.303 3.870 4.170 0.005 0.000 0.237 332 I C 2.296 178.228 176.117 -0.308 0.000 1.053 332 I CA 1.522 62.564 61.300 -0.429 0.000 1.311 332 I CB -1.435 36.199 38.000 -0.611 0.000 1.030 332 I HN 0.192 nan 8.210 nan 0.000 0.398 333 F N 1.766 121.661 119.950 -0.092 0.000 1.990 333 F HA -0.243 4.287 4.527 0.005 0.000 0.297 333 F C 1.807 177.624 175.800 0.028 0.000 1.199 333 F CA 1.260 59.273 58.000 0.022 0.000 1.184 333 F CB -0.996 38.069 39.000 0.109 0.000 0.956 333 F HN 0.264 nan 8.300 nan 0.000 0.503 334 N N 1.736 120.589 118.700 0.255 0.000 2.340 334 N HA -0.018 4.725 4.740 0.005 0.000 0.236 334 N C -0.777 174.791 175.510 0.097 0.000 1.296 334 N CA 0.078 53.225 53.050 0.162 0.000 0.896 334 N CB 0.513 39.088 38.487 0.146 0.000 1.127 334 N HN 0.146 nan 8.380 nan 0.000 0.442 335 K N 0.031 120.483 120.400 0.086 0.000 6.900 335 K HA -0.130 4.193 4.320 0.005 0.000 0.714 335 K C -0.924 175.699 176.600 0.038 0.000 2.527 335 K CA 0.251 56.577 56.287 0.064 0.000 1.868 335 K CB -0.407 32.146 32.500 0.088 0.000 2.325 335 K HN 0.916 nan 8.250 nan 0.000 0.231 336 K N 0.851 121.269 120.400 0.031 0.000 5.167 336 K HA -0.220 4.103 4.320 0.005 0.000 0.510 336 K C -0.078 176.528 176.600 0.010 0.000 1.254 336 K CA 0.513 56.810 56.287 0.016 0.000 1.209 336 K CB -0.667 31.837 32.500 0.007 0.000 1.889 336 K HN 0.369 nan 8.250 nan 0.000 0.302 337 L N 5.774 127.007 121.223 0.016 0.000 2.312 337 L HA 0.158 4.501 4.340 0.005 0.000 0.287 337 L C -0.519 176.349 176.870 -0.003 0.000 1.091 337 L CA -1.167 53.682 54.840 0.015 0.000 0.846 337 L CB 0.422 42.498 42.059 0.029 0.000 1.219 337 L HN 0.408 nan 8.230 nan 0.000 0.439 338 P HA -0.041 nan 4.420 nan 0.000 0.251 338 P C 0.774 178.054 177.300 -0.034 0.000 1.251 338 P CA 0.583 63.659 63.100 -0.040 0.000 0.763 338 P CB 0.263 31.916 31.700 -0.077 0.000 1.067 339 A N -1.386 121.427 122.820 -0.012 0.000 2.798 339 A HA -0.059 4.263 4.320 0.005 0.000 0.282 339 A C 0.833 178.420 177.584 0.006 0.000 1.464 339 A CA 1.034 53.074 52.037 0.005 0.000 0.844 339 A CB -1.970 17.035 19.000 0.010 0.000 1.006 339 A HN 0.552 nan 8.150 nan 0.000 0.577 340 G N -1.678 107.104 108.800 -0.029 0.000 3.243 340 G HA2 0.593 4.556 3.960 0.005 0.000 0.248 340 G HA3 0.593 4.556 3.960 0.005 0.000 0.248 340 G C -0.294 174.596 174.900 -0.016 0.000 1.267 340 G CA -0.085 44.993 45.100 -0.037 0.000 0.906 340 G HN 1.037 nan 8.290 nan 0.000 0.592 341 H N -0.304 118.782 119.070 0.026 0.000 3.138 341 H HA 0.524 5.083 4.556 0.005 0.000 0.275 341 H C 0.546 175.891 175.328 0.028 0.000 0.997 341 H CA 0.330 56.397 56.048 0.033 0.000 1.460 341 H CB 0.518 30.295 29.762 0.024 0.000 1.524 341 H HN 0.898 nan 8.280 nan 0.000 0.532 342 A N 3.158 126.044 122.820 0.111 0.000 3.137 342 A HA -0.164 4.159 4.320 0.005 0.000 0.192 342 A C 1.588 179.287 177.584 0.191 0.000 1.546 342 A CA 0.386 52.476 52.037 0.088 0.000 1.366 342 A CB -0.452 18.552 19.000 0.007 0.000 1.113 342 A HN 0.568 nan 8.150 nan 0.000 0.391 343 D N 0.985 121.476 120.400 0.152 0.000 2.178 343 D HA -0.071 4.572 4.640 0.005 0.000 0.202 343 D C 1.703 178.093 176.300 0.149 0.000 0.974 343 D CA 1.742 55.834 54.000 0.152 0.000 0.841 343 D CB -0.136 40.725 40.800 0.102 0.000 0.953 343 D HN 0.541 nan 8.370 nan 0.000 0.478 344 L N -0.158 121.154 121.223 0.149 0.000 2.179 344 L HA -0.049 4.294 4.340 0.005 0.000 0.208 344 L C 2.523 179.480 176.870 0.145 0.000 1.096 344 L CA 0.317 55.240 54.840 0.139 0.000 0.779 344 L CB -0.603 41.542 42.059 0.144 0.000 0.922 344 L HN 0.101 nan 8.230 nan 0.000 0.443 345 L N 0.837 122.172 121.223 0.187 0.000 2.079 345 L HA -0.221 4.122 4.340 0.005 0.000 0.210 345 L C 2.449 179.491 176.870 0.286 0.000 1.081 345 L CA 1.827 56.796 54.840 0.215 0.000 0.752 345 L CB -0.613 41.576 42.059 0.218 0.000 0.896 345 L HN 0.320 nan 8.230 nan 0.000 0.433 346 E N -0.517 119.881 120.200 0.330 0.000 2.110 346 E HA -0.254 4.099 4.350 0.005 0.000 0.193 346 E C 1.962 178.605 176.600 0.071 0.000 0.988 346 E CA 1.496 58.040 56.400 0.240 0.000 0.804 346 E CB -0.134 29.605 29.700 0.065 0.000 0.745 346 E HN 0.676 nan 8.360 nan 0.000 0.458 347 E N 0.018 120.244 120.200 0.043 0.000 2.085 347 E HA -0.211 4.142 4.350 0.005 0.000 0.194 347 E C 2.240 178.773 176.600 -0.113 0.000 0.994 347 E CA 0.932 57.315 56.400 -0.028 0.000 0.801 347 E CB -0.015 29.693 29.700 0.013 0.000 0.743 347 E HN 0.211 nan 8.360 nan 0.000 0.453 348 R N 0.704 121.161 120.500 -0.073 0.000 2.083 348 R HA -0.133 4.210 4.340 0.005 0.000 0.237 348 R C 2.399 178.712 176.300 0.022 0.000 1.137 348 R CA 1.109 57.154 56.100 -0.092 0.000 0.951 348 R CB -1.005 29.298 30.300 0.006 0.000 0.851 348 R HN 0.304 nan 8.270 nan 0.000 0.434 349 I N 1.283 121.931 120.570 0.130 0.000 2.127 349 I HA -0.203 3.969 4.170 0.005 0.000 0.241 349 I C 0.750 176.942 176.117 0.124 0.000 1.075 349 I CA 0.915 62.335 61.300 0.200 0.000 1.334 349 I CB -0.341 37.867 38.000 0.347 0.000 1.040 349 I HN -0.049 nan 8.210 nan 0.000 0.405 350 R N 3.582 124.114 120.500 0.054 0.000 2.473 350 R HA 0.002 4.345 4.340 0.005 0.000 0.315 350 R C -0.244 176.059 176.300 0.004 0.000 0.972 350 R CA 0.269 56.370 56.100 0.002 0.000 1.047 350 R CB -0.177 30.087 30.300 -0.061 0.000 0.932 350 R HN 0.213 nan 8.270 nan 0.000 0.411 351 K N 0.809 121.233 120.400 0.041 0.000 5.420 351 K HA -0.133 4.190 4.320 0.005 0.000 0.407 351 K C -0.386 176.261 176.600 0.078 0.000 1.074 351 K CA 1.083 57.406 56.287 0.060 0.000 1.247 351 K CB -1.704 30.831 32.500 0.057 0.000 1.725 351 K HN 0.928 nan 8.250 nan 0.000 0.408 352 S N -1.401 114.400 115.700 0.167 0.000 3.029 352 S HA 0.418 4.891 4.470 0.005 0.000 0.244 352 S C 0.864 175.756 174.600 0.486 0.000 0.814 352 S CA 0.599 58.970 58.200 0.285 0.000 1.148 352 S CB 0.861 64.253 63.200 0.320 0.000 1.253 352 S HN 1.422 nan 8.310 nan 0.000 0.555 353 G N 1.484 110.487 108.800 0.338 0.000 2.176 353 G HA2 -0.213 3.750 3.960 0.005 0.000 0.253 353 G HA3 -0.213 3.750 3.960 0.005 0.000 0.253 353 G C -0.084 175.027 174.900 0.352 0.000 0.979 353 G CA 0.166 45.508 45.100 0.405 0.000 0.641 353 G HN 0.682 nan 8.290 nan 0.000 0.530 354 I N 2.530 123.141 120.570 0.069 0.000 2.312 354 I HA 0.483 4.656 4.170 0.005 0.000 0.290 354 I C 0.579 176.637 176.117 -0.099 0.000 1.008 354 I CA -0.413 60.712 61.300 -0.290 0.000 1.226 354 I CB 0.840 38.562 38.000 -0.463 0.000 1.371 354 I HN 0.078 nan 8.210 nan 0.000 0.468 355 S N 6.467 122.112 115.700 -0.091 0.000 2.596 355 S HA -0.055 4.418 4.470 0.005 0.000 0.298 355 S C 0.823 175.441 174.600 0.030 0.000 1.255 355 S CA -0.139 58.056 58.200 -0.009 0.000 1.083 355 S CB 0.031 63.230 63.200 -0.002 0.000 0.837 355 S HN 0.513 nan 8.310 nan 0.000 0.499 356 D N 2.007 122.428 120.400 0.035 0.000 2.411 356 D HA -0.113 4.530 4.640 0.005 0.000 0.226 356 D C 1.687 178.018 176.300 0.051 0.000 0.988 356 D CA 0.782 54.807 54.000 0.042 0.000 0.938 356 D CB 0.054 40.869 40.800 0.024 0.000 0.883 356 D HN 0.828 nan 8.370 nan 0.000 0.525 357 E N -1.395 118.841 120.200 0.059 0.000 2.474 357 E HA -0.101 4.252 4.350 0.005 0.000 0.194 357 E C 1.294 177.947 176.600 0.089 0.000 1.041 357 E CA 0.151 56.582 56.400 0.051 0.000 0.874 357 E CB -0.101 29.617 29.700 0.031 0.000 0.914 357 E HN 0.484 nan 8.360 nan 0.000 0.498 358 Y N 1.530 121.811 120.300 -0.032 0.000 2.558 358 Y HA 0.239 4.792 4.550 0.005 0.000 0.273 358 Y C 2.030 177.918 175.900 -0.020 0.000 1.100 358 Y CA 0.054 58.135 58.100 -0.031 0.000 1.276 358 Y CB 0.474 38.895 38.460 -0.065 0.000 1.196 358 Y HN 0.091 nan 8.280 nan 0.000 0.527 359 I N -1.684 119.040 120.570 0.257 0.000 3.111 359 I HA -0.031 4.142 4.170 0.005 0.000 0.272 359 I C 1.093 177.346 176.117 0.226 0.000 1.268 359 I CA 1.341 62.804 61.300 0.271 0.000 1.467 359 I CB -0.238 37.933 38.000 0.286 0.000 1.087 359 I HN 0.078 nan 8.210 nan 0.000 0.467 360 T N 2.381 116.990 114.554 0.091 0.000 2.939 360 T HA 0.123 4.476 4.350 0.005 0.000 0.254 360 T C -0.386 174.324 174.700 0.018 0.000 1.041 360 T CA 1.167 63.297 62.100 0.050 0.000 1.142 360 T CB -0.741 68.139 68.868 0.021 0.000 0.874 360 T HN 0.436 nan 8.240 nan 0.000 0.452 361 P HA 0.124 nan 4.420 nan 0.000 0.220 361 P C 1.614 178.843 177.300 -0.119 0.000 1.154 361 P CA 0.736 63.820 63.100 -0.026 0.000 0.830 361 P CB 0.007 31.699 31.700 -0.014 0.000 0.803 362 M N -0.218 119.191 119.600 -0.318 0.000 2.059 362 M HA -0.051 4.432 4.480 0.005 0.000 0.259 362 M C 1.880 177.703 176.300 -0.795 0.000 1.072 362 M CA 1.934 56.796 55.300 -0.731 0.000 1.117 362 M CB -1.498 30.652 32.600 -0.749 0.000 1.320 362 M HN -0.264 nan 8.290 nan 0.000 0.408 363 F N -0.815 118.850 119.950 -0.476 0.000 2.722 363 F HA -0.110 4.420 4.527 0.005 0.000 0.298 363 F C 2.557 178.241 175.800 -0.193 0.000 1.175 363 F CA 1.030 58.813 58.000 -0.362 0.000 1.462 363 F CB -0.377 38.471 39.000 -0.253 0.000 1.111 363 F HN 0.250 nan 8.300 nan 0.000 0.592 364 S N -0.488 115.199 115.700 -0.021 0.000 2.387 364 S HA -0.117 4.355 4.470 0.005 0.000 0.221 364 S C 2.047 176.690 174.600 0.072 0.000 1.041 364 S CA 0.314 58.540 58.200 0.044 0.000 0.959 364 S CB -0.515 62.717 63.200 0.053 0.000 0.843 364 S HN 0.419 nan 8.310 nan 0.000 0.488 365 F N 1.391 121.238 119.950 -0.172 0.000 2.043 365 F HA -0.228 4.302 4.527 0.005 0.000 0.297 365 F C 1.986 177.789 175.800 0.004 0.000 1.121 365 F CA 2.078 59.994 58.000 -0.141 0.000 1.199 365 F CB -0.467 38.240 39.000 -0.488 0.000 0.968 365 F HN 0.340 nan 8.300 nan 0.000 0.478 366 Y N -0.011 120.172 120.300 -0.194 0.000 2.151 366 Y HA -0.346 4.206 4.550 0.005 0.000 0.284 366 Y C 2.608 178.446 175.900 -0.104 0.000 1.166 366 Y CA 1.274 59.252 58.100 -0.203 0.000 1.163 366 Y CB -0.484 37.924 38.460 -0.086 0.000 0.974 366 Y HN 0.114 nan 8.280 nan 0.000 0.511 367 K N 0.107 120.581 120.400 0.124 0.000 2.147 367 K HA -0.146 4.177 4.320 0.005 0.000 0.205 367 K C 2.257 178.876 176.600 0.032 0.000 1.049 367 K CA 1.262 57.603 56.287 0.090 0.000 0.936 367 K CB -0.067 32.484 32.500 0.085 0.000 0.722 367 K HN 0.066 nan 8.250 nan 0.000 0.446 368 S N 0.287 115.983 115.700 -0.007 0.000 2.345 368 S HA -0.127 4.346 4.470 0.005 0.000 0.220 368 S C 1.917 176.461 174.600 -0.094 0.000 1.031 368 S CA 1.386 59.565 58.200 -0.034 0.000 0.996 368 S CB -0.216 62.985 63.200 0.002 0.000 0.882 368 S HN 0.393 nan 8.310 nan 0.000 0.445 369 V N 0.740 120.530 119.914 -0.207 0.000 2.594 369 V HA -0.003 4.119 4.120 0.005 0.000 0.253 369 V C 2.155 178.206 176.094 -0.073 0.000 1.069 369 V CA 1.911 64.093 62.300 -0.198 0.000 1.082 369 V CB -1.619 30.036 31.823 -0.280 0.000 0.680 369 V HN 0.428 nan 8.190 nan 0.000 0.469 370 G N -0.271 108.519 108.800 -0.016 0.000 2.422 370 G HA2 -0.222 3.741 3.960 0.005 0.000 0.218 370 G HA3 -0.222 3.741 3.960 0.005 0.000 0.218 370 G C 1.375 176.290 174.900 0.025 0.000 1.140 370 G CA 0.810 45.933 45.100 0.040 0.000 0.775 370 G HN 0.568 nan 8.290 nan 0.000 0.545 371 E N -0.101 120.103 120.200 0.007 0.000 2.204 371 E HA 0.008 4.361 4.350 0.005 0.000 0.195 371 E C 2.408 179.018 176.600 0.016 0.000 0.990 371 E CA 0.403 56.810 56.400 0.012 0.000 0.821 371 E CB -0.166 29.536 29.700 0.004 0.000 0.750 371 E HN 0.446 nan 8.360 nan 0.000 0.477 372 L N 0.361 121.581 121.223 -0.005 0.000 2.376 372 L HA -0.027 4.316 4.340 0.005 0.000 0.219 372 L C 0.237 177.161 176.870 0.089 0.000 1.133 372 L CA 0.343 55.200 54.840 0.028 0.000 0.816 372 L CB -0.387 41.620 42.059 -0.086 0.000 0.933 372 L HN 0.029 nan 8.230 nan 0.000 0.449 373 K N 0.970 121.392 120.400 0.037 0.000 4.007 373 K HA -0.200 4.123 4.320 0.005 0.000 0.279 373 K C 0.001 176.593 176.600 -0.014 0.000 0.919 373 K CA 0.445 56.746 56.287 0.024 0.000 0.800 373 K CB -1.207 31.308 32.500 0.024 0.000 1.572 373 K HN 0.324 nan 8.250 nan 0.000 0.443 374 M N 0.205 119.763 119.600 -0.070 0.000 2.114 374 M HA 0.159 4.642 4.480 0.005 0.000 0.280 374 M C 1.168 177.377 176.300 -0.152 0.000 1.209 374 M CA 0.178 55.358 55.300 -0.199 0.000 1.044 374 M CB 0.918 33.178 32.600 -0.567 0.000 1.404 374 M HN 0.448 nan 8.290 nan 0.000 0.499 375 T N -2.781 111.644 114.554 -0.215 0.000 2.916 375 T HA 0.278 4.631 4.350 0.005 0.000 0.292 375 T C 0.588 175.291 174.700 0.005 0.000 1.055 375 T CA -0.987 61.033 62.100 -0.133 0.000 1.009 375 T CB 1.743 70.401 68.868 -0.350 0.000 1.118 375 T HN 0.600 nan 8.240 nan 0.000 0.497 376 Q N 0.524 120.374 119.800 0.084 0.000 2.118 376 Q HA -0.259 4.084 4.340 0.005 0.000 0.211 376 Q C 1.857 177.841 176.000 -0.026 0.000 0.998 376 Q CA 2.444 58.317 55.803 0.116 0.000 0.872 376 Q CB -0.339 28.459 28.738 0.099 0.000 0.925 376 Q HN 0.803 nan 8.270 nan 0.000 0.414 377 E N 0.593 120.770 120.200 -0.038 0.000 2.058 377 E HA -0.192 4.161 4.350 0.005 0.000 0.194 377 E C 1.939 178.506 176.600 -0.054 0.000 0.997 377 E CA 1.484 57.865 56.400 -0.032 0.000 0.801 377 E CB -0.148 29.584 29.700 0.052 0.000 0.746 377 E HN 0.437 nan 8.360 nan 0.000 0.450 378 E N -0.473 119.681 120.200 -0.076 0.000 2.051 378 E HA -0.192 4.161 4.350 0.005 0.000 0.192 378 E C 2.015 178.534 176.600 -0.134 0.000 0.991 378 E CA 1.161 57.500 56.400 -0.102 0.000 0.799 378 E CB -0.274 29.320 29.700 -0.177 0.000 0.748 378 E HN 0.376 nan 8.360 nan 0.000 0.449 379 Y N 0.660 120.887 120.300 -0.121 0.000 2.128 379 Y HA -0.284 4.268 4.550 0.005 0.000 0.284 379 Y C 2.528 178.240 175.900 -0.313 0.000 1.154 379 Y CA 0.842 58.846 58.100 -0.160 0.000 1.149 379 Y CB -0.284 38.099 38.460 -0.127 0.000 0.976 379 Y HN 0.085 nan 8.280 nan 0.000 0.505 380 A N 0.140 122.690 122.820 -0.450 0.000 1.883 380 A HA -0.200 4.123 4.320 0.005 0.000 0.217 380 A C 2.172 179.709 177.584 -0.079 0.000 1.186 380 A CA 1.867 53.520 52.037 -0.639 0.000 0.624 380 A CB -1.119 17.510 19.000 -0.618 0.000 0.822 380 A HN 0.461 nan 8.150 nan 0.000 0.444 381 L N -0.764 120.444 121.223 -0.025 0.000 2.005 381 L HA -0.155 4.188 4.340 0.005 0.000 0.207 381 L C 2.606 179.525 176.870 0.082 0.000 1.072 381 L CA 1.126 56.004 54.840 0.065 0.000 0.744 381 L CB -0.609 41.488 42.059 0.064 0.000 0.895 381 L HN 0.361 nan 8.230 nan 0.000 0.433 382 L N -0.710 120.544 121.223 0.052 0.000 1.978 382 L HA -0.296 4.047 4.340 0.005 0.000 0.218 382 L C 2.676 179.599 176.870 0.087 0.000 1.075 382 L CA 2.012 56.892 54.840 0.067 0.000 0.767 382 L CB -1.014 41.072 42.059 0.045 0.000 0.890 382 L HN 0.329 nan 8.230 nan 0.000 0.434 383 T N -0.300 114.298 114.554 0.074 0.000 2.684 383 T HA -0.229 4.124 4.350 0.005 0.000 0.267 383 T C 1.960 176.726 174.700 0.110 0.000 1.036 383 T CA 1.363 63.496 62.100 0.055 0.000 1.148 383 T CB -0.393 68.442 68.868 -0.056 0.000 0.863 383 T HN 0.484 nan 8.240 nan 0.000 0.436 384 A N 1.993 124.931 122.820 0.196 0.000 1.865 384 A HA -0.099 4.224 4.320 0.005 0.000 0.217 384 A C 2.385 180.088 177.584 0.200 0.000 1.191 384 A CA 1.889 54.111 52.037 0.307 0.000 0.623 384 A CB -0.900 18.282 19.000 0.302 0.000 0.826 384 A HN 0.721 nan 8.150 nan 0.000 0.444 385 I N -1.801 118.860 120.570 0.151 0.000 2.252 385 I HA -0.132 4.041 4.170 0.005 0.000 0.245 385 I C 1.947 178.137 176.117 0.120 0.000 1.102 385 I CA 1.776 63.153 61.300 0.129 0.000 1.385 385 I CB -0.540 37.531 38.000 0.118 0.000 1.064 385 I HN 0.087 nan 8.210 nan 0.000 0.414 386 V N 2.003 121.985 119.914 0.114 0.000 2.287 386 V HA -0.287 3.836 4.120 0.005 0.000 0.248 386 V C 2.617 178.779 176.094 0.114 0.000 1.053 386 V CA 2.370 64.733 62.300 0.105 0.000 1.027 386 V CB -0.731 31.154 31.823 0.103 0.000 0.646 386 V HN 0.422 nan 8.190 nan 0.000 0.447 387 I N -0.404 120.241 120.570 0.125 0.000 2.423 387 I HA -0.161 4.012 4.170 0.005 0.000 0.254 387 I C 1.007 177.221 176.117 0.162 0.000 1.151 387 I CA 1.168 62.548 61.300 0.132 0.000 1.421 387 I CB -0.157 37.919 38.000 0.128 0.000 1.079 387 I HN 0.174 nan 8.210 nan 0.000 0.431 388 L N 1.086 122.405 121.223 0.161 0.000 2.598 388 L HA 0.273 4.616 4.340 0.005 0.000 0.241 388 L C -0.023 176.921 176.870 0.123 0.000 1.244 388 L CA 0.415 55.352 54.840 0.162 0.000 1.198 388 L CB -0.816 41.339 42.059 0.161 0.000 1.448 388 L HN 0.002 nan 8.230 nan 0.000 0.406 389 S N 2.497 118.265 115.700 0.114 0.000 2.433 389 S HA 0.418 4.891 4.470 0.005 0.000 0.310 389 S C -1.572 173.074 174.600 0.078 0.000 1.097 389 S CA -0.804 57.448 58.200 0.086 0.000 1.103 389 S CB 1.967 65.214 63.200 0.078 0.000 0.992 389 S HN 0.258 nan 8.310 nan 0.000 0.469 390 P HA 0.036 nan 4.420 nan 0.000 0.235 390 P C -0.040 177.281 177.300 0.036 0.000 1.177 390 P CA 0.442 63.572 63.100 0.049 0.000 0.785 390 P CB -0.004 31.721 31.700 0.041 0.000 0.885 391 D N 0.318 120.736 120.400 0.031 0.000 2.741 391 D HA 0.177 4.820 4.640 0.005 0.000 0.233 391 D C -0.079 176.231 176.300 0.016 0.000 1.160 391 D CA -0.300 53.708 54.000 0.013 0.000 1.003 391 D CB 0.181 40.985 40.800 0.006 0.000 1.064 391 D HN -0.100 nan 8.370 nan 0.000 0.503 392 R N 0.499 121.013 120.500 0.024 0.000 2.599 392 R HA 0.147 4.490 4.340 0.005 0.000 0.295 392 R C 1.184 177.484 176.300 -0.000 0.000 0.963 392 R CA -0.664 55.457 56.100 0.036 0.000 0.883 392 R CB 1.461 31.809 30.300 0.079 0.000 1.171 392 R HN 0.093 nan 8.270 nan 0.000 0.450 393 Q N 1.803 121.572 119.800 -0.052 0.000 2.294 393 Q HA -0.290 4.053 4.340 0.005 0.000 0.215 393 Q C -0.081 175.660 176.000 -0.432 0.000 1.000 393 Q CA 2.290 57.932 55.803 -0.268 0.000 0.916 393 Q CB 0.043 28.543 28.738 -0.397 0.000 0.932 393 Q HN 0.756 nan 8.270 nan 0.000 0.420 394 Y N -0.853 119.463 120.300 0.028 0.000 2.499 394 Y HA 0.244 4.797 4.550 0.006 0.000 0.253 394 Y C 0.427 176.339 175.900 0.020 0.000 1.105 394 Y CA -0.717 57.397 58.100 0.023 0.000 1.240 394 Y CB 0.386 38.860 38.460 0.024 0.000 1.289 394 Y HN 0.119 nan 8.280 nan 0.000 0.534 395 I N -0.140 120.516 120.570 0.144 0.000 2.828 395 I HA -0.004 4.169 4.170 0.005 0.000 0.292 395 I C 0.804 176.961 176.117 0.066 0.000 1.206 395 I CA 0.008 61.363 61.300 0.093 0.000 1.420 395 I CB 0.985 39.027 38.000 0.070 0.000 1.368 395 I HN 0.034 nan 8.210 nan 0.000 0.556 396 K N 4.088 124.523 120.400 0.058 0.000 2.217 396 K HA -0.035 4.288 4.320 0.005 0.000 0.202 396 K C 0.260 176.877 176.600 0.028 0.000 1.051 396 K CA 0.888 57.201 56.287 0.043 0.000 0.952 396 K CB -0.328 32.195 32.500 0.039 0.000 0.736 396 K HN 0.789 nan 8.250 nan 0.000 0.453 397 D N 0.370 120.783 120.400 0.023 0.000 2.421 397 D HA 0.169 4.812 4.640 0.005 0.000 0.254 397 D C 0.319 176.629 176.300 0.017 0.000 1.238 397 D CA -0.196 53.813 54.000 0.015 0.000 0.919 397 D CB 0.921 41.726 40.800 0.008 0.000 1.152 397 D HN -0.134 nan 8.370 nan 0.000 0.552 398 R N 1.928 122.439 120.500 0.018 0.000 2.140 398 R HA 0.010 4.353 4.340 0.005 0.000 0.213 398 R C 1.779 178.091 176.300 0.020 0.000 1.059 398 R CA 0.189 56.302 56.100 0.022 0.000 1.000 398 R CB 0.438 30.750 30.300 0.019 0.000 0.910 398 R HN 0.519 nan 8.270 nan 0.000 0.455 399 E N 1.362 121.571 120.200 0.015 0.000 2.058 399 E HA -0.205 4.148 4.350 0.005 0.000 0.194 399 E C 1.826 178.434 176.600 0.014 0.000 0.997 399 E CA 1.392 57.800 56.400 0.014 0.000 0.801 399 E CB -0.022 29.684 29.700 0.010 0.000 0.746 399 E HN 0.308 nan 8.360 nan 0.000 0.450 400 A N 0.393 123.218 122.820 0.009 0.000 2.076 400 A HA -0.134 4.189 4.320 0.005 0.000 0.220 400 A C 2.252 179.842 177.584 0.011 0.000 1.160 400 A CA 1.452 53.492 52.037 0.004 0.000 0.653 400 A CB -0.286 18.710 19.000 -0.007 0.000 0.801 400 A HN 0.231 nan 8.150 nan 0.000 0.455 401 V N -0.671 119.256 119.914 0.022 0.000 2.599 401 V HA -0.143 3.980 4.120 0.005 0.000 0.245 401 V C 2.206 178.330 176.094 0.050 0.000 1.046 401 V CA 1.560 63.885 62.300 0.042 0.000 1.065 401 V CB -0.752 31.103 31.823 0.054 0.000 0.703 401 V HN 0.580 nan 8.190 nan 0.000 0.464 402 E N 0.760 120.984 120.200 0.040 0.000 2.038 402 E HA -0.288 4.065 4.350 0.005 0.000 0.195 402 E C 2.216 178.838 176.600 0.038 0.000 1.000 402 E CA 1.566 57.991 56.400 0.041 0.000 0.803 402 E CB -0.224 29.495 29.700 0.033 0.000 0.750 402 E HN 0.494 nan 8.360 nan 0.000 0.448 403 K N 0.283 120.699 120.400 0.027 0.000 2.097 403 K HA -0.229 4.094 4.320 0.005 0.000 0.214 403 K C 1.935 178.548 176.600 0.023 0.000 1.052 403 K CA 1.534 57.833 56.287 0.020 0.000 0.932 403 K CB -0.172 32.335 32.500 0.011 0.000 0.716 403 K HN 0.005 nan 8.250 nan 0.000 0.455 404 L N 0.604 121.847 121.223 0.033 0.000 2.217 404 L HA -0.081 4.261 4.340 0.005 0.000 0.211 404 L C 2.437 179.340 176.870 0.055 0.000 1.107 404 L CA 1.495 56.360 54.840 0.041 0.000 0.783 404 L CB -0.633 41.465 42.059 0.064 0.000 0.919 404 L HN 0.245 nan 8.230 nan 0.000 0.442 405 Q N -0.144 119.694 119.800 0.064 0.000 2.062 405 Q HA -0.191 4.152 4.340 0.005 0.000 0.196 405 Q C 2.008 178.048 176.000 0.068 0.000 0.967 405 Q CA 1.130 56.978 55.803 0.075 0.000 0.832 405 Q CB 0.166 28.953 28.738 0.081 0.000 0.899 405 Q HN 0.408 nan 8.270 nan 0.000 0.442 406 E N 0.510 120.743 120.200 0.055 0.000 2.048 406 E HA -0.209 4.144 4.350 0.005 0.000 0.202 406 E C -0.895 175.728 176.600 0.037 0.000 1.021 406 E CA 2.367 58.797 56.400 0.049 0.000 0.825 406 E CB -0.904 28.817 29.700 0.034 0.000 0.756 406 E HN 0.417 nan 8.360 nan 0.000 0.454 407 P HA -0.207 nan 4.420 nan 0.000 0.216 407 P C 1.141 178.451 177.300 0.016 0.000 1.157 407 P CA 1.317 64.422 63.100 0.008 0.000 0.880 407 P CB -0.006 31.694 31.700 -0.002 0.000 0.791 408 L N -2.080 119.166 121.223 0.038 0.000 2.046 408 L HA -0.179 4.164 4.340 0.005 0.000 0.208 408 L C 2.374 179.286 176.870 0.071 0.000 1.077 408 L CA 1.093 55.967 54.840 0.056 0.000 0.747 408 L CB -1.081 41.026 42.059 0.080 0.000 0.896 408 L HN -0.020 nan 8.230 nan 0.000 0.432 409 L N -0.218 121.059 121.223 0.089 0.000 2.017 409 L HA -0.239 4.104 4.340 0.005 0.000 0.208 409 L C 2.220 179.110 176.870 0.033 0.000 1.073 409 L CA 1.837 56.761 54.840 0.140 0.000 0.745 409 L CB -0.992 41.165 42.059 0.164 0.000 0.894 409 L HN 0.286 nan 8.230 nan 0.000 0.432 410 D N -1.097 119.294 120.400 -0.017 0.000 2.178 410 D HA -0.119 4.524 4.640 0.005 0.000 0.201 410 D C 2.235 178.465 176.300 -0.117 0.000 0.980 410 D CA 1.158 55.099 54.000 -0.098 0.000 0.842 410 D CB 0.162 40.926 40.800 -0.061 0.000 0.948 410 D HN 0.235 nan 8.370 nan 0.000 0.472 411 V N 1.119 121.001 119.914 -0.054 0.000 2.548 411 V HA -0.161 3.962 4.120 0.005 0.000 0.249 411 V C 2.351 178.419 176.094 -0.043 0.000 1.055 411 V CA 0.730 63.003 62.300 -0.045 0.000 1.065 411 V CB -0.326 31.493 31.823 -0.006 0.000 0.681 411 V HN 0.126 nan 8.190 nan 0.000 0.462 412 L N 0.349 121.566 121.223 -0.009 0.000 2.093 412 L HA -0.133 4.210 4.340 0.005 0.000 0.208 412 L C 2.425 179.257 176.870 -0.062 0.000 1.085 412 L CA 2.135 57.007 54.840 0.054 0.000 0.755 412 L CB -0.870 41.310 42.059 0.202 0.000 0.904 412 L HN 0.434 nan 8.230 nan 0.000 0.435 413 Q N -0.252 119.295 119.800 -0.423 0.000 1.967 413 Q HA -0.291 4.052 4.340 0.005 0.000 0.202 413 Q C 2.382 178.152 176.000 -0.383 0.000 0.985 413 Q CA 2.272 57.541 55.803 -0.890 0.000 0.839 413 Q CB -0.271 27.648 28.738 -1.365 0.000 0.906 413 Q HN 0.485 nan 8.270 nan 0.000 0.423 414 K N -0.255 119.976 120.400 -0.280 0.000 2.209 414 K HA -0.151 4.171 4.320 0.005 0.000 0.204 414 K C 1.947 178.451 176.600 -0.159 0.000 1.048 414 K CA 0.851 57.027 56.287 -0.185 0.000 0.940 414 K CB -0.072 32.339 32.500 -0.149 0.000 0.729 414 K HN 0.238 nan 8.250 nan 0.000 0.451 415 L N 0.327 121.473 121.223 -0.129 0.000 2.291 415 L HA -0.110 4.233 4.340 0.005 0.000 0.214 415 L C 1.839 178.677 176.870 -0.053 0.000 1.120 415 L CA 1.213 55.992 54.840 -0.102 0.000 0.799 415 L CB -0.321 41.752 42.059 0.022 0.000 0.925 415 L HN 0.246 nan 8.230 nan 0.000 0.446 416 C N -0.589 118.688 119.300 -0.037 0.000 2.518 416 C HA -0.093 4.369 4.460 0.005 0.000 0.279 416 C C 2.648 177.597 174.990 -0.067 0.000 1.279 416 C CA 0.515 59.525 59.018 -0.014 0.000 1.703 416 C CB -0.463 27.343 27.740 0.110 0.000 2.072 416 C HN 0.503 nan 8.230 nan 0.000 0.487 417 K N 0.836 121.191 120.400 -0.075 0.000 2.034 417 K HA -0.197 4.126 4.320 0.005 0.000 0.214 417 K C 1.656 178.196 176.600 -0.098 0.000 1.051 417 K CA 1.716 57.959 56.287 -0.072 0.000 0.931 417 K CB -0.417 32.034 32.500 -0.081 0.000 0.715 417 K HN 0.517 nan 8.250 nan 0.000 0.446 418 I N 0.071 120.542 120.570 -0.165 0.000 2.069 418 I HA -0.328 3.845 4.170 0.005 0.000 0.237 418 I C 2.335 178.329 176.117 -0.205 0.000 1.053 418 I CA 1.639 62.794 61.300 -0.242 0.000 1.311 418 I CB -0.577 37.173 38.000 -0.418 0.000 1.030 418 I HN 0.098 nan 8.210 nan 0.000 0.398 419 Y N 0.540 120.787 120.300 -0.089 0.000 2.242 419 Y HA -0.109 4.444 4.550 0.005 0.000 0.291 419 Y C 1.002 176.833 175.900 -0.115 0.000 1.137 419 Y CA 0.812 58.854 58.100 -0.097 0.000 1.181 419 Y CB -0.271 38.120 38.460 -0.116 0.000 0.989 419 Y HN 0.312 nan 8.280 nan 0.000 0.527 420 Q N 0.146 119.942 119.800 -0.008 0.000 3.090 420 Q HA 0.192 4.535 4.340 0.005 0.000 0.241 420 Q C -2.264 173.709 176.000 -0.044 0.000 0.958 420 Q CA -1.386 54.381 55.803 -0.060 0.000 0.715 420 Q CB 1.688 30.314 28.738 -0.186 0.000 1.298 420 Q HN 0.099 nan 8.270 nan 0.000 0.468 421 P HA -0.030 nan 4.420 nan 0.000 0.239 421 P C 0.211 177.515 177.300 0.008 0.000 1.188 421 P CA 0.498 63.592 63.100 -0.010 0.000 0.794 421 P CB 0.675 32.363 31.700 -0.021 0.000 0.937 422 E N 1.127 121.334 120.200 0.011 0.000 2.169 422 E HA -0.216 4.137 4.350 0.005 0.000 0.202 422 E C 1.749 178.365 176.600 0.027 0.000 1.016 422 E CA 1.796 58.207 56.400 0.019 0.000 0.817 422 E CB -0.714 28.999 29.700 0.022 0.000 0.736 422 E HN 0.497 nan 8.360 nan 0.000 0.462 423 N N -0.110 118.615 118.700 0.041 0.000 2.297 423 N HA 0.041 4.784 4.740 0.005 0.000 0.204 423 N C -0.799 174.740 175.510 0.048 0.000 1.036 423 N CA 0.628 53.709 53.050 0.051 0.000 0.991 423 N CB -1.681 36.852 38.487 0.076 0.000 1.198 423 N HN 0.207 nan 8.380 nan 0.000 0.515 424 P HA 0.154 nan 4.420 nan 0.000 0.197 424 P C 0.056 177.435 177.300 0.133 0.000 1.188 424 P CA 0.902 64.065 63.100 0.104 0.000 0.873 424 P CB 0.526 32.287 31.700 0.102 0.000 0.712 425 Q N -2.293 117.584 119.800 0.128 0.000 2.223 425 Q HA -0.309 4.034 4.340 0.005 0.000 0.150 425 Q C 1.809 177.877 176.000 0.113 0.000 0.715 425 Q CA 1.557 57.419 55.803 0.098 0.000 1.376 425 Q CB -2.348 26.424 28.738 0.056 0.000 1.373 425 Q HN 0.513 nan 8.270 nan 0.000 0.940 426 H N 0.010 119.118 119.070 0.063 0.000 2.431 426 H HA -0.154 4.405 4.556 0.005 0.000 0.297 426 H C 1.569 176.945 175.328 0.081 0.000 1.115 426 H CA 2.031 58.114 56.048 0.058 0.000 1.277 426 H CB -0.202 29.600 29.762 0.067 0.000 1.372 426 H HN 0.441 nan 8.280 nan 0.000 0.516 427 F N 0.623 120.677 119.950 0.174 0.000 2.456 427 F HA 0.168 4.698 4.527 0.005 0.000 0.298 427 F C 2.326 178.147 175.800 0.036 0.000 1.104 427 F CA 0.958 59.028 58.000 0.116 0.000 1.435 427 F CB -0.396 38.658 39.000 0.090 0.000 1.078 427 F HN 0.188 nan 8.300 nan 0.000 0.546 428 A N -0.766 121.951 122.820 -0.171 0.000 1.878 428 A HA -0.109 4.214 4.320 0.005 0.000 0.213 428 A C 2.396 179.850 177.584 -0.217 0.000 1.192 428 A CA 1.080 52.972 52.037 -0.241 0.000 0.619 428 A CB -1.666 17.288 19.000 -0.077 0.000 0.837 428 A HN 0.532 nan 8.150 nan 0.000 0.446 429 C N -0.050 119.156 119.300 -0.157 0.000 2.398 429 C HA -0.138 4.325 4.460 0.005 0.000 0.276 429 C C 2.651 177.524 174.990 -0.195 0.000 1.222 429 C CA 1.401 60.322 59.018 -0.161 0.000 1.746 429 C CB -1.593 26.033 27.740 -0.189 0.000 2.039 429 C HN 0.580 nan 8.230 nan 0.000 0.470 430 L N 0.244 121.311 121.223 -0.259 0.000 1.961 430 L HA -0.158 4.185 4.340 0.005 0.000 0.210 430 L C 2.631 179.393 176.870 -0.180 0.000 1.072 430 L CA 1.635 56.347 54.840 -0.212 0.000 0.749 430 L CB -0.956 41.005 42.059 -0.163 0.000 0.889 430 L HN 0.362 nan 8.230 nan 0.000 0.432 431 L N -0.053 120.993 121.223 -0.294 0.000 2.270 431 L HA -0.210 4.133 4.340 0.005 0.000 0.217 431 L C 2.497 179.289 176.870 -0.131 0.000 1.107 431 L CA 1.063 55.760 54.840 -0.239 0.000 0.772 431 L CB -1.220 40.617 42.059 -0.369 0.000 0.902 431 L HN 0.401 nan 8.230 nan 0.000 0.439 432 G N -0.113 108.614 108.800 -0.122 0.000 2.505 432 G HA2 -0.248 3.715 3.960 0.005 0.000 0.214 432 G HA3 -0.248 3.715 3.960 0.005 0.000 0.214 432 G C 1.472 176.377 174.900 0.007 0.000 1.237 432 G CA 0.332 45.396 45.100 -0.061 0.000 0.802 432 G HN 0.176 nan 8.290 nan 0.000 0.549 433 R N -0.134 120.399 120.500 0.054 0.000 2.198 433 R HA -0.085 4.258 4.340 0.005 0.000 0.258 433 R C 2.445 178.873 176.300 0.213 0.000 1.173 433 R CA 0.736 56.969 56.100 0.221 0.000 0.991 433 R CB -1.072 29.309 30.300 0.135 0.000 0.879 433 R HN 0.369 nan 8.270 nan 0.000 0.460 434 L N -0.410 120.867 121.223 0.089 0.000 1.994 434 L HA -0.153 4.190 4.340 0.005 0.000 0.208 434 L C 2.025 178.925 176.870 0.050 0.000 1.071 434 L CA 2.076 56.964 54.840 0.080 0.000 0.745 434 L CB -0.905 41.174 42.059 0.032 0.000 0.892 434 L HN 0.190 nan 8.230 nan 0.000 0.431 435 T N -1.127 113.430 114.554 0.004 0.000 2.833 435 T HA -0.172 4.181 4.350 0.005 0.000 0.269 435 T C 1.688 176.346 174.700 -0.070 0.000 1.054 435 T CA 1.233 63.312 62.100 -0.035 0.000 1.135 435 T CB -0.158 68.679 68.868 -0.053 0.000 0.869 435 T HN 0.392 nan 8.240 nan 0.000 0.466 436 E N 1.083 121.257 120.200 -0.044 0.000 2.001 436 E HA -0.128 4.225 4.350 0.005 0.000 0.195 436 E C 2.227 178.692 176.600 -0.224 0.000 1.002 436 E CA 1.418 57.728 56.400 -0.150 0.000 0.819 436 E CB -0.391 29.305 29.700 -0.008 0.000 0.769 436 E HN 0.480 nan 8.360 nan 0.000 0.454 437 L N 0.162 121.358 121.223 -0.046 0.000 2.351 437 L HA -0.137 4.205 4.340 0.005 0.000 0.220 437 L C 2.150 179.000 176.870 -0.033 0.000 1.127 437 L CA 1.590 56.411 54.840 -0.031 0.000 0.786 437 L CB -0.626 41.519 42.059 0.143 0.000 0.914 437 L HN -0.061 nan 8.230 nan 0.000 0.443 438 R N 0.428 120.898 120.500 -0.050 0.000 2.075 438 R HA -0.116 4.227 4.340 0.005 0.000 0.232 438 R C 2.316 178.544 176.300 -0.119 0.000 1.126 438 R CA 1.780 57.855 56.100 -0.042 0.000 0.963 438 R CB -0.399 29.872 30.300 -0.047 0.000 0.858 438 R HN 0.756 nan 8.270 nan 0.000 0.435 439 T N -2.513 111.875 114.554 -0.277 0.000 3.055 439 T HA -0.022 4.331 4.350 0.005 0.000 0.265 439 T C 1.413 175.750 174.700 -0.605 0.000 1.111 439 T CA 0.546 62.403 62.100 -0.405 0.000 1.118 439 T CB -0.162 68.396 68.868 -0.517 0.000 0.909 439 T HN 0.052 nan 8.240 nan 0.000 0.501 440 F N 2.111 121.726 119.950 -0.558 0.000 2.456 440 F HA 0.286 4.816 4.527 0.004 0.000 0.298 440 F C 2.212 177.872 175.800 -0.233 0.000 1.104 440 F CA -0.052 57.541 58.000 -0.677 0.000 1.435 440 F CB -0.551 37.814 39.000 -1.058 0.000 1.078 440 F HN 0.243 nan 8.300 nan 0.000 0.546 441 N N -0.913 117.859 118.700 0.121 0.000 2.396 441 N HA -0.191 4.552 4.740 0.005 0.000 0.180 441 N C 1.813 177.453 175.510 0.217 0.000 1.028 441 N CA 0.989 54.178 53.050 0.232 0.000 0.893 441 N CB -0.187 38.384 38.487 0.139 0.000 0.967 441 N HN 0.265 nan 8.380 nan 0.000 0.440 442 H N -0.796 118.286 119.070 0.021 0.000 2.343 442 H HA 0.042 4.601 4.556 0.005 0.000 0.303 442 H C 1.377 176.825 175.328 0.200 0.000 1.068 442 H CA 1.799 57.880 56.048 0.056 0.000 1.359 442 H CB -0.227 29.513 29.762 -0.037 0.000 1.402 442 H HN 0.304 nan 8.280 nan 0.000 0.515 443 H N -0.775 118.332 119.070 0.062 0.000 2.421 443 H HA -0.117 4.442 4.556 0.005 0.000 0.298 443 H C 2.319 177.799 175.328 0.253 0.000 1.087 443 H CA 1.490 57.586 56.048 0.080 0.000 1.330 443 H CB -0.663 29.156 29.762 0.096 0.000 1.388 443 H HN 0.554 nan 8.280 nan 0.000 0.526 444 H N 0.840 120.115 119.070 0.341 0.000 2.319 444 H HA -0.075 4.484 4.556 0.005 0.000 0.299 444 H C 2.041 177.376 175.328 0.012 0.000 1.092 444 H CA 1.649 57.835 56.048 0.230 0.000 1.302 444 H CB -0.015 29.870 29.762 0.206 0.000 1.373 444 H HN 0.332 nan 8.280 nan 0.000 0.497 445 A N 0.896 123.746 122.820 0.050 0.000 1.969 445 A HA -0.131 4.192 4.320 0.005 0.000 0.218 445 A C 2.375 179.922 177.584 -0.061 0.000 1.169 445 A CA 1.384 53.401 52.037 -0.032 0.000 0.635 445 A CB -0.313 18.720 19.000 0.055 0.000 0.810 445 A HN 0.641 nan 8.150 nan 0.000 0.445 446 E N -0.409 119.752 120.200 -0.065 0.000 2.015 446 E HA -0.212 4.141 4.350 0.005 0.000 0.191 446 E C 1.992 178.569 176.600 -0.037 0.000 0.991 446 E CA 1.576 57.943 56.400 -0.056 0.000 0.802 446 E CB -0.423 29.225 29.700 -0.086 0.000 0.759 446 E HN 0.762 nan 8.360 nan 0.000 0.447 447 M N 0.753 120.318 119.600 -0.059 0.000 2.426 447 M HA -0.132 4.351 4.480 0.005 0.000 0.261 447 M C 1.621 177.875 176.300 -0.075 0.000 1.068 447 M CA 1.570 56.782 55.300 -0.146 0.000 1.066 447 M CB -0.411 31.907 32.600 -0.470 0.000 1.399 447 M HN 0.019 nan 8.290 nan 0.000 0.449 448 L N -0.568 120.625 121.223 -0.049 0.000 2.044 448 L HA -0.074 4.269 4.340 0.005 0.000 0.205 448 L C 2.071 179.076 176.870 0.224 0.000 1.075 448 L CA 0.963 55.885 54.840 0.135 0.000 0.747 448 L CB -0.506 41.548 42.059 -0.009 0.000 0.903 448 L HN 0.388 nan 8.230 nan 0.000 0.435 449 M N -0.538 119.134 119.600 0.120 0.000 2.706 449 M HA -0.071 4.412 4.480 0.005 0.000 0.251 449 M C 1.581 177.952 176.300 0.118 0.000 1.070 449 M CA 0.829 56.200 55.300 0.119 0.000 1.073 449 M CB -1.280 31.363 32.600 0.072 0.000 1.449 449 M HN 0.287 nan 8.290 nan 0.000 0.531 450 S N -2.480 113.305 115.700 0.143 0.000 2.843 450 S HA 0.224 4.697 4.470 0.005 0.000 0.249 450 S C -0.765 173.980 174.600 0.242 0.000 1.047 450 S CA -0.695 57.582 58.200 0.128 0.000 1.042 450 S CB -0.042 63.199 63.200 0.068 0.000 0.936 450 S HN 0.469 nan 8.310 nan 0.000 0.531 451 W N 2.387 123.718 121.300 0.052 0.000 2.525 451 W HA 0.545 5.208 4.660 0.005 0.000 0.294 451 W C -1.000 175.602 176.519 0.139 0.000 1.044 451 W CA -0.490 56.905 57.345 0.083 0.000 1.169 451 W CB 0.609 30.151 29.460 0.138 0.000 1.042 451 W HN 0.041 nan 8.180 nan 0.000 0.316 452 R N 1.782 122.324 120.500 0.070 0.000 3.236 452 R HA 0.791 5.134 4.340 0.005 0.000 0.234 452 R C -0.726 175.455 176.300 -0.197 0.000 1.541 452 R CA -0.930 55.098 56.100 -0.120 0.000 1.038 452 R CB 0.923 31.120 30.300 -0.172 0.000 1.587 452 R HN 0.336 nan 8.270 nan 0.000 0.515 453 V N -0.742 118.921 119.914 -0.418 0.000 2.595 453 V HA 0.330 4.453 4.120 0.005 0.000 0.269 453 V C 0.187 176.010 176.094 -0.452 0.000 0.982 453 V CA -0.698 61.375 62.300 -0.379 0.000 0.873 453 V CB 0.552 32.057 31.823 -0.531 0.000 1.051 453 V HN 0.945 nan 8.190 nan 0.000 0.466 454 N N 2.272 120.776 118.700 -0.327 0.000 3.921 454 N HA -0.338 4.405 4.740 0.005 0.000 0.220 454 N C 0.609 175.885 175.510 -0.391 0.000 0.235 454 N CA 1.939 54.767 53.050 -0.371 0.000 2.805 454 N CB -0.952 37.201 38.487 -0.556 0.000 1.351 454 N HN 0.861 nan 8.380 nan 0.000 0.341 455 D N -1.373 118.689 120.400 -0.563 0.000 2.901 455 D HA 0.069 4.712 4.640 0.005 0.000 0.392 455 D C -1.109 174.962 176.300 -0.382 0.000 1.336 455 D CA -0.130 53.637 54.000 -0.389 0.000 0.983 455 D CB 0.029 40.673 40.800 -0.260 0.000 1.715 455 D HN 0.351 nan 8.370 nan 0.000 0.357 456 H N 1.151 120.011 119.070 -0.351 0.000 2.929 456 H HA 0.274 4.833 4.556 0.004 0.000 0.358 456 H C 0.541 175.634 175.328 -0.391 0.000 1.111 456 H CA 0.617 56.465 56.048 -0.333 0.000 1.409 456 H CB 0.649 30.188 29.762 -0.372 0.000 1.373 456 H HN 0.162 nan 8.280 nan 0.000 0.610 457 K N 0.969 121.322 120.400 -0.080 0.000 2.258 457 K HA 0.394 4.717 4.320 0.005 0.000 0.236 457 K C -0.567 175.964 176.600 -0.116 0.000 1.008 457 K CA -0.698 55.508 56.287 -0.135 0.000 0.869 457 K CB 1.171 33.653 32.500 -0.031 0.000 1.171 457 K HN 0.168 nan 8.250 nan 0.000 0.447 458 F N 1.147 121.143 119.950 0.077 0.000 2.394 458 F HA 0.114 4.643 4.527 0.004 0.000 0.340 458 F C 0.991 176.746 175.800 -0.075 0.000 1.105 458 F CA -0.643 57.345 58.000 -0.021 0.000 1.124 458 F CB 1.093 40.068 39.000 -0.041 0.000 1.145 458 F HN 0.493 nan 8.300 nan 0.000 0.505 459 T N 1.343 115.927 114.554 0.049 0.000 2.923 459 T HA -0.014 4.339 4.350 0.005 0.000 0.304 459 T C -1.845 172.847 174.700 -0.014 0.000 1.044 459 T CA -1.065 61.022 62.100 -0.023 0.000 1.141 459 T CB 0.520 69.335 68.868 -0.087 0.000 1.023 459 T HN 0.380 nan 8.240 nan 0.000 0.533 460 P HA -0.156 nan 4.420 nan 0.000 0.218 460 P C 1.605 178.889 177.300 -0.027 0.000 1.152 460 P CA 0.490 63.587 63.100 -0.004 0.000 0.857 460 P CB -0.042 31.655 31.700 -0.005 0.000 0.787 461 L N -0.816 120.371 121.223 -0.060 0.000 1.961 461 L HA -0.164 4.178 4.340 0.005 0.000 0.210 461 L C 2.314 179.102 176.870 -0.138 0.000 1.072 461 L CA 1.827 56.617 54.840 -0.082 0.000 0.749 461 L CB -1.490 40.511 42.059 -0.098 0.000 0.889 461 L HN -0.115 nan 8.230 nan 0.000 0.432 462 L N -1.172 119.892 121.223 -0.265 0.000 2.021 462 L HA -0.382 3.961 4.340 0.005 0.000 0.215 462 L C 2.658 179.405 176.870 -0.205 0.000 1.074 462 L CA 1.898 56.442 54.840 -0.494 0.000 0.760 462 L CB -1.183 40.446 42.059 -0.717 0.000 0.889 462 L HN 0.442 nan 8.230 nan 0.000 0.433 463 C N -0.443 118.818 119.300 -0.065 0.000 2.403 463 C HA -0.196 4.267 4.460 0.005 0.000 0.282 463 C C 2.703 177.721 174.990 0.047 0.000 1.297 463 C CA 1.210 60.248 59.018 0.034 0.000 1.785 463 C CB -0.881 26.904 27.740 0.074 0.000 1.963 463 C HN 0.540 nan 8.230 nan 0.000 0.507 464 E N 0.368 120.582 120.200 0.022 0.000 2.307 464 E HA 0.015 4.368 4.350 0.005 0.000 0.195 464 E C 1.721 178.368 176.600 0.078 0.000 0.975 464 E CA 0.592 57.019 56.400 0.044 0.000 0.878 464 E CB 0.099 29.813 29.700 0.024 0.000 0.845 464 E HN 0.809 nan 8.360 nan 0.000 0.488 465 I N -3.262 117.360 120.570 0.086 0.000 3.941 465 I HA 0.202 4.375 4.170 0.005 0.000 0.321 465 I C 0.667 177.053 176.117 0.448 0.000 1.284 465 I CA -0.321 61.092 61.300 0.189 0.000 1.226 465 I CB 0.196 38.283 38.000 0.145 0.000 1.045 465 I HN -0.024 nan 8.210 nan 0.000 0.420 466 W N 2.175 123.476 121.300 0.001 0.000 2.966 466 W HA 0.334 4.997 4.660 0.004 0.000 0.406 466 W C 0.949 177.476 176.519 0.014 0.000 1.027 466 W CA -0.807 56.553 57.345 0.025 0.000 1.930 466 W CB -0.210 29.216 29.460 -0.057 0.000 1.144 466 W HN 0.278 nan 8.180 nan 0.000 0.626 467 D N -0.575 119.959 120.400 0.224 0.000 3.322 467 D HA -0.245 4.398 4.640 0.005 0.000 0.190 467 D C 0.285 176.655 176.300 0.118 0.000 1.485 467 D CA 2.643 56.730 54.000 0.144 0.000 2.184 467 D CB -0.717 40.161 40.800 0.131 0.000 1.315 467 D HN 0.084 nan 8.370 nan 0.000 0.435 468 V N 0.000 119.988 119.914 0.123 0.000 2.409 468 V HA 0.000 4.123 4.120 0.005 0.000 0.244 468 V CA 0.000 62.371 62.300 0.118 0.000 1.235 468 V CB 0.000 31.888 31.823 0.109 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556