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 2znv_1_A DATA FIRST_RESID 265 DATA SEQUENCE GLRCVVLPED LCHKFLQLAE SNTVRGIATC GILCGKLTHN EFTITHVIVP DATA SEQUENCE KQSAGPDYCD MENVEELFNV QDQHDLLTLG WIHTHPTQTA FLSSVDLHTH DATA SEQUENCE CSYQLMLPEA IAIVCSPKHK DTGIFRLTNA GMLEVSACKK KGFHPHTKEP DATA SEQUENCE RLFSICKHVL VKDIKIIVLD LR 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 265 G HA2 0.000 nan 3.960 nan 0.000 0.244 265 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 265 G C 0.000 174.905 174.900 0.008 0.000 0.946 265 G CA 0.000 45.106 45.100 0.010 0.000 0.502 266 L N 1.845 123.065 121.223 -0.004 0.000 2.322 266 L HA 0.614 4.955 4.340 0.002 0.000 0.279 266 L C 0.504 177.424 176.870 0.083 0.000 1.036 266 L CA -1.006 53.826 54.840 -0.014 0.000 0.807 266 L CB 1.660 43.584 42.059 -0.225 0.000 1.226 266 L HN -0.010 nan 8.230 nan 0.000 0.433 267 R N 0.687 121.282 120.500 0.158 0.000 2.594 267 R HA 0.159 4.500 4.340 0.002 0.000 0.272 267 R C -0.274 176.210 176.300 0.307 0.000 1.074 267 R CA -0.483 55.734 56.100 0.195 0.000 1.105 267 R CB 0.829 31.238 30.300 0.182 0.000 1.008 267 R HN 0.608 nan 8.270 nan 0.000 0.472 268 C N 3.030 122.460 119.300 0.217 0.000 2.657 268 C HA 0.200 4.661 4.460 0.002 0.000 0.420 268 C C 0.170 175.318 174.990 0.263 0.000 1.323 268 C CA -0.250 58.893 59.018 0.209 0.000 1.894 268 C CB -0.274 27.534 27.740 0.112 0.000 2.681 268 C HN 0.486 nan 8.230 nan 0.000 0.613 269 V N 7.463 127.483 119.914 0.177 0.000 2.409 269 V HA 0.331 4.452 4.120 0.002 0.000 0.291 269 V C -0.048 176.070 176.094 0.040 0.000 1.020 269 V CA -0.428 61.959 62.300 0.145 0.000 0.848 269 V CB 1.538 33.385 31.823 0.040 0.000 0.990 269 V HN 0.747 nan 8.190 nan 0.000 0.430 270 V N 6.469 126.424 119.914 0.068 0.000 2.406 270 V HA 0.352 4.473 4.120 0.002 0.000 0.272 270 V C -0.171 175.927 176.094 0.006 0.000 1.043 270 V CA -0.360 61.956 62.300 0.027 0.000 0.915 270 V CB 1.372 33.219 31.823 0.039 0.000 0.988 270 V HN 0.638 nan 8.190 nan 0.000 0.466 271 L N 9.388 130.594 121.223 -0.027 0.000 2.298 271 L HA 0.657 4.998 4.340 0.002 0.000 0.284 271 L C -2.568 174.281 176.870 -0.034 0.000 1.013 271 L CA -2.035 52.780 54.840 -0.043 0.000 0.824 271 L CB 1.617 43.628 42.059 -0.081 0.000 1.221 271 L HN 0.355 nan 8.230 nan 0.000 0.418 272 P HA 0.052 nan 4.420 nan 0.000 0.264 272 P C 0.261 177.547 177.300 -0.022 0.000 1.193 272 P CA 0.205 63.294 63.100 -0.019 0.000 0.763 272 P CB 0.648 32.338 31.700 -0.016 0.000 0.810 273 E N 2.494 122.682 120.200 -0.020 0.000 2.118 273 E HA -0.242 4.109 4.350 0.002 0.000 0.195 273 E C 0.646 177.244 176.600 -0.004 0.000 0.992 273 E CA 1.431 57.818 56.400 -0.021 0.000 0.804 273 E CB -0.080 29.606 29.700 -0.024 0.000 0.741 273 E HN 0.393 nan 8.360 nan 0.000 0.458 274 D N 0.125 120.533 120.400 0.013 0.000 2.349 274 D HA -0.050 4.592 4.640 0.002 0.000 0.224 274 D C 1.728 178.076 176.300 0.079 0.000 1.029 274 D CA 0.040 54.075 54.000 0.058 0.000 0.879 274 D CB 0.094 40.932 40.800 0.064 0.000 0.906 274 D HN 0.281 nan 8.370 nan 0.000 0.528 275 L N 0.099 121.343 121.223 0.035 0.000 2.017 275 L HA -0.212 4.129 4.340 0.002 0.000 0.208 275 L C 2.050 178.961 176.870 0.068 0.000 1.073 275 L CA 1.396 56.254 54.840 0.031 0.000 0.745 275 L CB -0.109 41.940 42.059 -0.016 0.000 0.894 275 L HN 0.060 nan 8.230 nan 0.000 0.432 276 C N -0.777 118.555 119.300 0.055 0.000 2.429 276 C HA -0.206 4.255 4.460 0.002 0.000 0.277 276 C C 2.691 177.771 174.990 0.150 0.000 1.262 276 C CA 0.966 60.036 59.018 0.086 0.000 1.733 276 C CB -1.444 26.310 27.740 0.023 0.000 2.010 276 C HN 0.651 nan 8.230 nan 0.000 0.483 277 H N 1.266 120.357 119.070 0.035 0.000 2.319 277 H HA -0.145 4.412 4.556 0.002 0.000 0.299 277 H C 1.925 177.271 175.328 0.031 0.000 1.092 277 H CA 1.633 57.695 56.048 0.023 0.000 1.302 277 H CB -0.057 29.708 29.762 0.004 0.000 1.373 277 H HN 0.310 nan 8.280 nan 0.000 0.497 278 K N 0.404 120.761 120.400 -0.072 0.000 2.097 278 K HA -0.137 4.184 4.320 0.002 0.000 0.205 278 K C 2.186 178.754 176.600 -0.054 0.000 1.050 278 K CA 0.750 56.960 56.287 -0.128 0.000 0.938 278 K CB -0.910 31.583 32.500 -0.011 0.000 0.718 278 K HN 0.287 nan 8.250 nan 0.000 0.442 279 F N 1.927 121.824 119.950 -0.088 0.000 2.146 279 F HA -0.101 4.427 4.527 0.002 0.000 0.298 279 F C 1.941 177.700 175.800 -0.069 0.000 1.096 279 F CA 1.059 59.022 58.000 -0.062 0.000 1.275 279 F CB -0.282 38.691 39.000 -0.045 0.000 1.008 279 F HN -0.139 nan 8.300 nan 0.000 0.480 280 L N -0.036 121.108 121.223 -0.131 0.000 2.083 280 L HA -0.251 4.090 4.340 0.002 0.000 0.209 280 L C 2.529 179.248 176.870 -0.251 0.000 1.083 280 L CA 1.432 56.148 54.840 -0.207 0.000 0.752 280 L CB -0.837 41.193 42.059 -0.048 0.000 0.899 280 L HN 0.243 nan 8.230 nan 0.000 0.433 281 Q N -0.412 119.231 119.800 -0.262 0.000 2.061 281 Q HA -0.236 4.105 4.340 0.002 0.000 0.204 281 Q C 2.282 178.156 176.000 -0.210 0.000 0.984 281 Q CA 1.344 57.006 55.803 -0.235 0.000 0.846 281 Q CB -0.176 28.397 28.738 -0.275 0.000 0.902 281 Q HN 0.342 nan 8.270 nan 0.000 0.421 282 L N -0.018 121.058 121.223 -0.247 0.000 2.093 282 L HA -0.125 4.217 4.340 0.002 0.000 0.208 282 L C 2.128 178.835 176.870 -0.273 0.000 1.085 282 L CA 1.726 56.431 54.840 -0.225 0.000 0.755 282 L CB -0.658 41.279 42.059 -0.203 0.000 0.904 282 L HN 0.140 nan 8.230 nan 0.000 0.435 283 A N -1.494 121.068 122.820 -0.430 0.000 2.208 283 A HA -0.107 4.214 4.320 0.002 0.000 0.209 283 A C 2.205 179.665 177.584 -0.206 0.000 1.161 283 A CA 0.747 52.552 52.037 -0.387 0.000 0.782 283 A CB -0.472 18.154 19.000 -0.624 0.000 0.816 283 A HN 0.459 nan 8.150 nan 0.000 0.477 284 E N 0.932 121.029 120.200 -0.173 0.000 2.085 284 E HA -0.224 4.127 4.350 0.002 0.000 0.194 284 E C 2.095 178.652 176.600 -0.072 0.000 0.994 284 E CA 1.812 58.148 56.400 -0.107 0.000 0.801 284 E CB -0.121 29.523 29.700 -0.093 0.000 0.743 284 E HN 0.721 nan 8.360 nan 0.000 0.453 285 S N 0.021 115.679 115.700 -0.069 0.000 2.447 285 S HA -0.105 4.366 4.470 0.002 0.000 0.233 285 S C 1.611 176.189 174.600 -0.036 0.000 1.006 285 S CA 1.047 59.219 58.200 -0.046 0.000 0.957 285 S CB -0.206 62.969 63.200 -0.041 0.000 0.773 285 S HN 0.228 nan 8.310 nan 0.000 0.507 286 N N 1.610 120.284 118.700 -0.044 0.000 2.220 286 N HA 0.042 4.783 4.740 0.002 0.000 0.182 286 N C 1.813 177.315 175.510 -0.014 0.000 1.023 286 N CA 1.725 54.761 53.050 -0.024 0.000 0.856 286 N CB -1.294 37.179 38.487 -0.022 0.000 0.997 286 N HN 0.425 nan 8.380 nan 0.000 0.429 287 T N 1.581 116.119 114.554 -0.026 0.000 2.665 287 T HA -0.131 4.220 4.350 0.002 0.000 0.268 287 T C 2.055 176.755 174.700 -0.000 0.000 1.035 287 T CA 1.819 63.914 62.100 -0.008 0.000 1.151 287 T CB -0.494 68.358 68.868 -0.026 0.000 0.862 287 T HN 0.254 nan 8.240 nan 0.000 0.438 288 V N 0.207 120.114 119.914 -0.012 0.000 2.913 288 V HA 0.038 4.159 4.120 0.002 0.000 0.260 288 V C 1.832 177.924 176.094 -0.003 0.000 1.098 288 V CA 1.241 63.537 62.300 -0.008 0.000 1.121 288 V CB -0.796 31.019 31.823 -0.014 0.000 0.714 288 V HN 0.367 nan 8.190 nan 0.000 0.487 289 R N 0.830 121.329 120.500 -0.002 0.000 2.334 289 R HA 0.395 4.736 4.340 0.002 0.000 0.216 289 R C 1.584 177.889 176.300 0.009 0.000 0.905 289 R CA 0.534 56.635 56.100 0.001 0.000 1.064 289 R CB 0.376 30.674 30.300 -0.002 0.000 1.046 289 R HN 0.704 nan 8.270 nan 0.000 0.508 290 G N 1.423 110.233 108.800 0.016 0.000 2.136 290 G HA2 -0.206 3.755 3.960 0.002 0.000 0.242 290 G HA3 -0.206 3.755 3.960 0.002 0.000 0.242 290 G C -0.015 174.907 174.900 0.037 0.000 0.989 290 G CA -0.286 44.831 45.100 0.029 0.000 0.682 290 G HN 0.131 nan 8.290 nan 0.000 0.522 291 I N 1.008 121.599 120.570 0.034 0.000 2.377 291 I HA 0.690 4.862 4.170 0.002 0.000 0.293 291 I C 0.942 177.100 176.117 0.069 0.000 0.987 291 I CA -1.027 60.297 61.300 0.041 0.000 1.185 291 I CB 1.064 39.076 38.000 0.019 0.000 1.341 291 I HN 0.314 nan 8.210 nan 0.000 0.455 292 A N 5.379 128.266 122.820 0.112 0.000 2.332 292 A HA 0.696 5.017 4.320 0.002 0.000 0.258 292 A C 0.152 177.837 177.584 0.168 0.000 1.087 292 A CA -0.029 52.115 52.037 0.179 0.000 0.802 292 A CB 0.279 19.448 19.000 0.282 0.000 1.042 292 A HN 0.753 nan 8.150 nan 0.000 0.489 293 T N 0.140 114.829 114.554 0.226 0.000 2.912 293 T HA 0.561 4.912 4.350 0.002 0.000 0.299 293 T C -0.427 174.565 174.700 0.487 0.000 1.052 293 T CA -0.176 62.070 62.100 0.244 0.000 0.996 293 T CB 0.916 69.817 68.868 0.056 0.000 1.070 293 T HN 1.294 nan 8.240 nan 0.000 0.465 294 C N 0.292 119.860 119.300 0.447 0.000 2.779 294 C HA 1.093 5.555 4.460 0.002 0.000 0.314 294 C C 0.406 175.629 174.990 0.388 0.000 1.231 294 C CA -0.684 58.606 59.018 0.454 0.000 1.652 294 C CB 0.854 28.807 27.740 0.355 0.000 2.198 294 C HN 1.188 nan 8.230 nan 0.000 0.483 295 G N 0.821 109.740 108.800 0.197 0.000 2.695 295 G HA2 0.665 4.626 3.960 0.002 0.000 0.290 295 G HA3 0.665 4.626 3.960 0.002 0.000 0.290 295 G C -1.595 173.345 174.900 0.066 0.000 1.410 295 G CA -0.627 44.550 45.100 0.130 0.000 0.844 295 G HN 0.772 nan 8.290 nan 0.000 0.478 296 I N 0.753 121.370 120.570 0.078 0.000 2.392 296 I HA 0.367 4.538 4.170 0.002 0.000 0.295 296 I C -0.140 176.002 176.117 0.041 0.000 0.985 296 I CA -0.503 60.845 61.300 0.080 0.000 1.221 296 I CB 1.446 39.511 38.000 0.109 0.000 1.366 296 I HN 0.231 nan 8.210 nan 0.000 0.467 297 L N 6.440 127.679 121.223 0.028 0.000 2.264 297 L HA 0.497 4.839 4.340 0.002 0.000 0.289 297 L C -0.091 176.808 176.870 0.048 0.000 1.044 297 L CA -0.427 54.421 54.840 0.013 0.000 0.807 297 L CB 1.054 43.093 42.059 -0.034 0.000 1.192 297 L HN 0.717 nan 8.230 nan 0.000 0.425 298 C N 0.713 120.053 119.300 0.066 0.000 3.236 298 C HA 1.069 5.531 4.460 0.002 0.000 0.312 298 C C 0.301 175.352 174.990 0.101 0.000 1.374 298 C CA -0.104 58.954 59.018 0.066 0.000 1.455 298 C CB 1.139 28.901 27.740 0.037 0.000 1.834 298 C HN 1.015 nan 8.230 nan 0.000 0.460 299 G N 0.666 109.524 108.800 0.097 0.000 2.435 299 G HA2 0.578 4.539 3.960 0.002 0.000 0.228 299 G HA3 0.578 4.539 3.960 0.002 0.000 0.228 299 G C -2.244 172.743 174.900 0.145 0.000 1.198 299 G CA -0.518 44.666 45.100 0.139 0.000 0.948 299 G HN 0.810 nan 8.290 nan 0.000 0.487 300 K N -0.550 119.954 120.400 0.173 0.000 2.443 300 K HA 0.682 5.003 4.320 0.002 0.000 0.251 300 K C -1.697 175.004 176.600 0.168 0.000 0.972 300 K CA -0.811 55.562 56.287 0.144 0.000 0.833 300 K CB 2.641 35.189 32.500 0.079 0.000 1.317 300 K HN 0.526 nan 8.250 nan 0.000 0.441 301 L N 1.063 122.327 121.223 0.067 0.000 2.298 301 L HA 0.482 4.823 4.340 0.002 0.000 0.284 301 L C -1.108 175.662 176.870 -0.166 0.000 1.013 301 L CA 0.297 55.046 54.840 -0.151 0.000 0.824 301 L CB 1.406 43.332 42.059 -0.222 0.000 1.221 301 L HN 0.562 nan 8.230 nan 0.000 0.418 302 T N 3.129 117.565 114.554 -0.197 0.000 2.928 302 T HA 0.365 4.716 4.350 0.002 0.000 0.296 302 T C -0.485 174.095 174.700 -0.201 0.000 1.000 302 T CA -0.405 61.535 62.100 -0.266 0.000 0.989 302 T CB 0.755 69.469 68.868 -0.257 0.000 1.005 302 T HN 0.725 nan 8.240 nan 0.000 0.442 303 H N 1.973 120.997 119.070 -0.078 0.000 2.692 303 H HA -0.214 4.343 4.556 0.002 0.000 0.316 303 H C 0.893 176.166 175.328 -0.090 0.000 1.176 303 H CA 0.543 56.551 56.048 -0.066 0.000 1.142 303 H CB -1.200 28.537 29.762 -0.042 0.000 1.475 303 H HN 0.791 nan 8.280 nan 0.000 0.423 304 N N -0.524 118.139 118.700 -0.062 0.000 2.800 304 N HA -0.212 4.529 4.740 0.002 0.000 0.250 304 N C -0.377 175.028 175.510 -0.175 0.000 1.078 304 N CA 1.663 54.639 53.050 -0.123 0.000 0.804 304 N CB -0.198 38.265 38.487 -0.040 0.000 1.135 304 N HN 0.858 nan 8.380 nan 0.000 0.565 305 E N -0.296 119.779 120.200 -0.209 0.000 2.256 305 E HA 0.389 4.740 4.350 0.002 0.000 0.268 305 E C -1.032 175.440 176.600 -0.212 0.000 0.877 305 E CA -0.680 55.635 56.400 -0.142 0.000 0.757 305 E CB 0.605 30.298 29.700 -0.012 0.000 1.183 305 E HN 0.055 nan 8.360 nan 0.000 0.418 306 F N 1.841 121.824 119.950 0.054 0.000 2.396 306 F HA 0.352 4.881 4.527 0.002 0.000 0.343 306 F C 0.432 176.254 175.800 0.036 0.000 1.104 306 F CA -0.088 57.940 58.000 0.048 0.000 1.161 306 F CB 2.009 41.048 39.000 0.065 0.000 1.146 306 F HN 0.240 nan 8.300 nan 0.000 0.522 307 T N 4.651 119.339 114.554 0.225 0.000 2.812 307 T HA 0.488 4.839 4.350 0.002 0.000 0.282 307 T C -0.109 174.668 174.700 0.128 0.000 0.990 307 T CA -0.536 61.646 62.100 0.136 0.000 0.960 307 T CB 0.843 69.761 68.868 0.084 0.000 0.948 307 T HN 0.277 nan 8.240 nan 0.000 0.438 308 I N 3.640 124.263 120.570 0.088 0.000 2.436 308 I HA 0.121 4.292 4.170 0.002 0.000 0.289 308 I C 1.769 177.923 176.117 0.063 0.000 1.083 308 I CA 0.020 61.362 61.300 0.070 0.000 1.372 308 I CB 0.962 38.977 38.000 0.025 0.000 1.408 308 I HN 0.823 nan 8.210 nan 0.000 0.516 309 T N 0.894 115.514 114.554 0.111 0.000 2.990 309 T HA 0.186 4.537 4.350 0.002 0.000 0.249 309 T C 0.387 175.054 174.700 -0.056 0.000 1.039 309 T CA 0.180 62.325 62.100 0.075 0.000 1.036 309 T CB 0.059 69.038 68.868 0.185 0.000 0.994 309 T HN 0.517 nan 8.240 nan 0.000 0.489 310 H N -0.298 118.768 119.070 -0.007 0.000 2.851 310 H HA 0.710 5.267 4.556 0.002 0.000 0.372 310 H C -1.481 173.843 175.328 -0.007 0.000 1.158 310 H CA -0.763 55.276 56.048 -0.015 0.000 1.159 310 H CB 2.262 32.005 29.762 -0.032 0.000 1.757 310 H HN 0.133 nan 8.280 nan 0.000 0.546 311 V N 4.700 124.681 119.914 0.111 0.000 2.417 311 V HA 0.506 4.627 4.120 0.002 0.000 0.291 311 V C -0.902 175.264 176.094 0.120 0.000 1.024 311 V CA -0.481 61.871 62.300 0.087 0.000 0.861 311 V CB 0.499 32.357 31.823 0.057 0.000 0.985 311 V HN 0.665 nan 8.190 nan 0.000 0.436 312 I N 7.114 127.751 120.570 0.111 0.000 2.362 312 I HA 0.423 4.594 4.170 0.002 0.000 0.289 312 I C -0.579 175.617 176.117 0.133 0.000 0.994 312 I CA -0.852 60.515 61.300 0.110 0.000 1.158 312 I CB 1.944 39.993 38.000 0.080 0.000 1.315 312 I HN 0.279 nan 8.210 nan 0.000 0.451 313 V N 8.594 128.596 119.914 0.146 0.000 2.304 313 V HA 0.295 4.417 4.120 0.002 0.000 0.269 313 V C -1.943 174.224 176.094 0.121 0.000 1.036 313 V CA -1.515 60.889 62.300 0.174 0.000 0.840 313 V CB 0.823 32.760 31.823 0.190 0.000 1.036 313 V HN 0.573 nan 8.190 nan 0.000 0.466 314 P HA 0.260 nan 4.420 nan 0.000 0.276 314 P C -0.445 176.902 177.300 0.080 0.000 1.252 314 P CA -0.764 62.390 63.100 0.091 0.000 0.802 314 P CB 1.122 32.877 31.700 0.092 0.000 1.035 315 K N 1.037 121.475 120.400 0.063 0.000 2.524 315 K HA 0.009 4.330 4.320 0.002 0.000 0.279 315 K C 0.657 177.290 176.600 0.056 0.000 0.993 315 K CA 0.799 57.117 56.287 0.052 0.000 1.030 315 K CB -0.057 32.469 32.500 0.042 0.000 0.891 315 K HN 0.534 nan 8.250 nan 0.000 0.488 316 Q N -0.009 119.821 119.800 0.051 0.000 2.575 316 Q HA 0.412 4.753 4.340 0.002 0.000 0.290 316 Q C -1.452 174.568 176.000 0.034 0.000 0.963 316 Q CA -1.050 54.785 55.803 0.053 0.000 0.783 316 Q CB 1.441 30.226 28.738 0.079 0.000 1.467 316 Q HN 0.370 nan 8.270 nan 0.000 0.402 317 S N -0.149 115.566 115.700 0.025 0.000 2.549 317 S HA 0.981 5.452 4.470 0.002 0.000 0.297 317 S C -0.964 173.615 174.600 -0.035 0.000 1.115 317 S CA -0.136 58.058 58.200 -0.009 0.000 1.059 317 S CB 1.623 64.810 63.200 -0.023 0.000 1.046 317 S HN 0.807 nan 8.310 nan 0.000 0.506 318 A N 0.915 123.697 122.820 -0.063 0.000 2.610 318 A HA 0.967 5.288 4.320 0.002 0.000 0.291 318 A C -0.278 177.243 177.584 -0.104 0.000 1.086 318 A CA -0.329 51.657 52.037 -0.084 0.000 0.677 318 A CB 1.257 20.258 19.000 0.002 0.000 1.278 318 A HN 1.123 nan 8.150 nan 0.000 0.414 319 G N -1.396 107.340 108.800 -0.106 0.000 2.815 319 G HA2 0.648 4.609 3.960 0.002 0.000 0.305 319 G HA3 0.648 4.609 3.960 0.002 0.000 0.305 319 G C -2.739 172.163 174.900 0.003 0.000 1.277 319 G CA -0.462 44.602 45.100 -0.059 0.000 0.795 319 G HN 0.383 nan 8.290 nan 0.000 0.528 320 P HA 0.131 nan 4.420 nan 0.000 0.227 320 P C 0.657 177.994 177.300 0.061 0.000 1.161 320 P CA 0.726 63.848 63.100 0.036 0.000 0.788 320 P CB 0.429 32.138 31.700 0.016 0.000 0.822 321 D N -0.569 119.880 120.400 0.081 0.000 2.084 321 D HA -0.042 4.599 4.640 0.002 0.000 0.199 321 D C 0.770 177.341 176.300 0.451 0.000 0.981 321 D CA 1.514 55.637 54.000 0.204 0.000 0.841 321 D CB -0.217 40.763 40.800 0.301 0.000 0.997 321 D HN 0.300 nan 8.370 nan 0.000 0.454 322 Y N -1.434 118.998 120.300 0.220 0.000 2.656 322 Y HA 0.475 5.026 4.550 0.001 0.000 0.334 322 Y C -1.028 174.965 175.900 0.154 0.000 1.179 322 Y CA -1.927 56.308 58.100 0.225 0.000 1.050 322 Y CB 0.875 39.471 38.460 0.227 0.000 1.308 322 Y HN 0.124 nan 8.280 nan 0.000 0.456 323 C N 0.315 119.781 119.300 0.278 0.000 2.562 323 C HA 0.911 5.373 4.460 0.002 0.000 0.332 323 C C -1.088 174.045 174.990 0.239 0.000 1.201 323 C CA -0.495 58.618 59.018 0.160 0.000 1.803 323 C CB 1.220 29.073 27.740 0.189 0.000 2.328 323 C HN 0.927 nan 8.230 nan 0.000 0.500 324 D N 1.279 121.769 120.400 0.149 0.000 2.966 324 D HA 0.334 4.975 4.640 0.002 0.000 0.222 324 D C -0.697 175.658 176.300 0.092 0.000 1.292 324 D CA -0.246 53.844 54.000 0.151 0.000 0.907 324 D CB 1.612 42.544 40.800 0.220 0.000 1.621 324 D HN 0.945 nan 8.370 nan 0.000 0.557 325 M N 2.661 122.305 119.600 0.074 0.000 2.245 325 M HA 0.236 4.718 4.480 0.002 0.000 0.344 325 M C 0.125 176.455 176.300 0.050 0.000 1.170 325 M CA 0.461 55.800 55.300 0.065 0.000 1.135 325 M CB 0.727 33.364 32.600 0.062 0.000 1.574 325 M HN 0.424 nan 8.290 nan 0.000 0.452 326 E N 2.499 122.728 120.200 0.047 0.000 3.788 326 E HA 0.128 4.479 4.350 0.002 0.000 0.520 326 E C -0.079 176.540 176.600 0.031 0.000 0.441 326 E CA -0.601 55.821 56.400 0.036 0.000 3.107 326 E CB 0.037 29.757 29.700 0.033 0.000 2.281 326 E HN 0.735 nan 8.360 nan 0.000 0.492 327 N N 1.059 119.776 118.700 0.028 0.000 2.407 327 N HA -0.077 4.664 4.740 0.002 0.000 0.250 327 N C 0.569 176.102 175.510 0.038 0.000 1.236 327 N CA 0.090 53.154 53.050 0.025 0.000 0.879 327 N CB 1.130 39.631 38.487 0.022 0.000 1.088 327 N HN 0.277 nan 8.380 nan 0.000 0.450 328 V N 0.673 120.608 119.914 0.035 0.000 3.649 328 V HA 0.137 4.258 4.120 0.002 0.000 0.275 328 V C 1.559 177.713 176.094 0.100 0.000 1.281 328 V CA 0.447 62.784 62.300 0.061 0.000 1.143 328 V CB -0.487 31.363 31.823 0.044 0.000 0.892 328 V HN 0.594 nan 8.190 nan 0.000 0.441 329 E N 1.141 121.389 120.200 0.081 0.000 2.077 329 E HA -0.245 4.106 4.350 0.002 0.000 0.193 329 E C 2.061 178.752 176.600 0.152 0.000 0.989 329 E CA 1.786 58.256 56.400 0.118 0.000 0.800 329 E CB -0.021 29.722 29.700 0.073 0.000 0.746 329 E HN 0.818 nan 8.360 nan 0.000 0.452 330 E N 0.511 120.774 120.200 0.105 0.000 2.047 330 E HA -0.193 4.158 4.350 0.002 0.000 0.191 330 E C 2.124 178.778 176.600 0.090 0.000 0.987 330 E CA 0.567 57.020 56.400 0.088 0.000 0.799 330 E CB 0.035 29.775 29.700 0.067 0.000 0.752 330 E HN 0.096 nan 8.360 nan 0.000 0.449 331 L N 0.352 121.637 121.223 0.103 0.000 2.017 331 L HA -0.137 4.204 4.340 0.002 0.000 0.208 331 L C 2.106 179.036 176.870 0.100 0.000 1.073 331 L CA 1.748 56.645 54.840 0.095 0.000 0.745 331 L CB -0.691 41.431 42.059 0.105 0.000 0.894 331 L HN 0.239 nan 8.230 nan 0.000 0.432 332 F N 0.417 120.380 119.950 0.022 0.000 2.102 332 F HA -0.276 4.253 4.527 0.002 0.000 0.298 332 F C 2.352 178.163 175.800 0.018 0.000 1.105 332 F CA 1.977 59.985 58.000 0.015 0.000 1.239 332 F CB -0.410 38.593 39.000 0.006 0.000 0.991 332 F HN 0.310 nan 8.300 nan 0.000 0.474 333 N N 0.259 118.943 118.700 -0.028 0.000 2.094 333 N HA -0.191 4.550 4.740 0.002 0.000 0.191 333 N C 1.696 177.120 175.510 -0.144 0.000 1.023 333 N CA 1.935 54.920 53.050 -0.107 0.000 0.857 333 N CB -0.439 38.068 38.487 0.032 0.000 1.013 333 N HN 0.248 nan 8.380 nan 0.000 0.426 334 V N 0.530 120.409 119.914 -0.058 0.000 2.270 334 V HA -0.183 3.938 4.120 0.002 0.000 0.245 334 V C 2.279 178.357 176.094 -0.026 0.000 1.043 334 V CA 1.600 63.914 62.300 0.024 0.000 1.014 334 V CB -0.617 31.218 31.823 0.020 0.000 0.645 334 V HN 0.401 nan 8.190 nan 0.000 0.447 335 Q N -0.473 119.249 119.800 -0.129 0.000 2.124 335 Q HA -0.256 4.085 4.340 0.002 0.000 0.202 335 Q C 2.069 177.935 176.000 -0.224 0.000 0.977 335 Q CA 1.882 57.596 55.803 -0.149 0.000 0.850 335 Q CB -0.243 28.429 28.738 -0.109 0.000 0.901 335 Q HN 0.660 nan 8.270 nan 0.000 0.429 336 D N 0.538 120.672 120.400 -0.444 0.000 2.097 336 D HA -0.154 4.487 4.640 0.002 0.000 0.197 336 D C 1.749 177.893 176.300 -0.261 0.000 0.984 336 D CA 1.257 54.981 54.000 -0.460 0.000 0.826 336 D CB 0.141 40.436 40.800 -0.842 0.000 0.973 336 D HN 0.164 nan 8.370 nan 0.000 0.460 337 Q N -1.380 118.274 119.800 -0.243 0.000 2.230 337 Q HA -0.094 4.247 4.340 0.002 0.000 0.202 337 Q C 1.151 176.943 176.000 -0.347 0.000 0.963 337 Q CA 0.963 56.604 55.803 -0.270 0.000 0.866 337 Q CB 0.026 28.584 28.738 -0.301 0.000 0.931 337 Q HN 0.524 nan 8.270 nan 0.000 0.452 338 H N -0.064 118.928 119.070 -0.130 0.000 2.586 338 H HA 0.066 4.623 4.556 0.002 0.000 0.273 338 H C -0.694 174.572 175.328 -0.103 0.000 0.997 338 H CA -0.167 55.813 56.048 -0.113 0.000 1.177 338 H CB 0.628 30.287 29.762 -0.170 0.000 1.471 338 H HN 0.090 nan 8.280 nan 0.000 0.538 339 D N 1.041 121.422 120.400 -0.032 0.000 2.737 339 D HA -0.185 4.456 4.640 0.002 0.000 0.238 339 D C -0.751 175.546 176.300 -0.006 0.000 1.157 339 D CA 0.591 54.575 54.000 -0.027 0.000 0.694 339 D CB -1.213 39.579 40.800 -0.014 0.000 1.021 339 D HN 0.437 nan 8.370 nan 0.000 0.420 340 L N 0.541 121.745 121.223 -0.031 0.000 2.287 340 L HA 0.397 4.738 4.340 0.002 0.000 0.287 340 L C 0.941 177.814 176.870 0.006 0.000 1.022 340 L CA -0.774 54.049 54.840 -0.028 0.000 0.814 340 L CB 1.209 43.197 42.059 -0.119 0.000 1.217 340 L HN -0.075 nan 8.230 nan 0.000 0.420 341 L N 2.641 123.894 121.223 0.049 0.000 2.397 341 L HA 0.250 4.591 4.340 0.002 0.000 0.271 341 L C 0.513 177.412 176.870 0.049 0.000 1.148 341 L CA -0.239 54.640 54.840 0.064 0.000 0.825 341 L CB 0.951 43.081 42.059 0.119 0.000 1.117 341 L HN 0.557 nan 8.230 nan 0.000 0.456 342 T N 4.456 119.041 114.554 0.052 0.000 2.779 342 T HA 0.245 4.596 4.350 0.002 0.000 0.296 342 T C 1.094 175.821 174.700 0.044 0.000 0.938 342 T CA -0.110 62.040 62.100 0.083 0.000 1.119 342 T CB 0.426 69.377 68.868 0.139 0.000 0.891 342 T HN 0.422 nan 8.240 nan 0.000 0.526 343 L N 2.515 123.758 121.223 0.033 0.000 2.766 343 L HA 0.448 4.789 4.340 0.002 0.000 0.242 343 L C 1.357 178.253 176.870 0.043 0.000 1.136 343 L CA -0.322 54.491 54.840 -0.046 0.000 0.933 343 L CB -0.052 41.961 42.059 -0.077 0.000 1.241 343 L HN 0.909 nan 8.230 nan 0.000 0.522 344 G N -0.371 108.503 108.800 0.124 0.000 2.302 344 G HA2 0.045 4.007 3.960 0.002 0.000 0.264 344 G HA3 0.045 4.007 3.960 0.002 0.000 0.264 344 G C -2.387 172.566 174.900 0.090 0.000 1.335 344 G CA -0.253 44.944 45.100 0.161 0.000 0.982 344 G HN 0.044 nan 8.290 nan 0.000 0.473 345 W N -0.942 120.181 121.300 -0.295 0.000 3.074 345 W HA 0.821 5.482 4.660 0.001 0.000 0.332 345 W C -1.824 174.528 176.519 -0.278 0.000 1.253 345 W CA -1.584 55.566 57.345 -0.325 0.000 1.180 345 W CB 0.841 30.011 29.460 -0.484 0.000 1.445 345 W HN 0.999 nan 8.180 nan 0.000 0.573 346 I N 2.807 123.210 120.570 -0.278 0.000 2.686 346 I HA 0.576 4.747 4.170 0.002 0.000 0.295 346 I C -1.051 174.871 176.117 -0.326 0.000 1.114 346 I CA -0.523 60.449 61.300 -0.548 0.000 1.038 346 I CB 1.937 39.464 38.000 -0.788 0.000 1.238 346 I HN 0.623 nan 8.210 nan 0.000 0.420 347 H N 2.838 121.655 119.070 -0.423 0.000 3.017 347 H HA 0.445 5.002 4.556 0.002 0.000 0.346 347 H C -1.755 173.609 175.328 0.061 0.000 1.286 347 H CA -0.667 55.369 56.048 -0.019 0.000 1.120 347 H CB 1.347 31.200 29.762 0.152 0.000 1.860 347 H HN 0.528 nan 8.280 nan 0.000 0.542 348 T N -0.949 113.702 114.554 0.161 0.000 2.882 348 T HA 0.310 4.661 4.350 0.002 0.000 0.287 348 T C -0.246 174.489 174.700 0.057 0.000 0.992 348 T CA -0.696 61.430 62.100 0.043 0.000 1.076 348 T CB 0.793 69.750 68.868 0.148 0.000 0.961 348 T HN 0.690 nan 8.240 nan 0.000 0.490 349 H N 3.018 122.012 119.070 -0.128 0.000 2.680 349 H HA 0.230 4.787 4.556 0.003 0.000 0.260 349 H C -1.701 173.660 175.328 0.056 0.000 1.328 349 H CA -2.460 53.577 56.048 -0.019 0.000 1.269 349 H CB 1.118 30.848 29.762 -0.053 0.000 1.446 349 H HN 0.526 nan 8.280 nan 0.000 0.527 350 P HA -0.150 nan 4.420 nan 0.000 0.218 350 P C 1.354 178.732 177.300 0.129 0.000 1.148 350 P CA 1.410 64.582 63.100 0.120 0.000 0.822 350 P CB 0.313 32.065 31.700 0.086 0.000 0.784 351 T N -7.056 107.587 114.554 0.148 0.000 3.043 351 T HA 0.289 4.640 4.350 0.002 0.000 0.272 351 T C 0.475 175.339 174.700 0.273 0.000 0.990 351 T CA -0.297 61.898 62.100 0.158 0.000 0.897 351 T CB -0.069 68.856 68.868 0.094 0.000 1.111 351 T HN -0.004 nan 8.240 nan 0.000 0.529 352 Q N 2.208 122.174 119.800 0.276 0.000 2.297 352 Q HA 0.608 4.949 4.340 0.002 0.000 0.269 352 Q C 0.202 176.283 176.000 0.134 0.000 1.051 352 Q CA -0.744 55.207 55.803 0.246 0.000 0.869 352 Q CB 1.287 30.129 28.738 0.173 0.000 1.346 352 Q HN 0.389 nan 8.270 nan 0.000 0.457 353 T N -1.831 112.660 114.554 -0.103 0.000 2.748 353 T HA 0.483 4.834 4.350 0.002 0.000 0.304 353 T C 0.053 174.957 174.700 0.340 0.000 1.041 353 T CA -0.580 61.385 62.100 -0.224 0.000 1.033 353 T CB 0.405 69.155 68.868 -0.196 0.000 0.995 353 T HN 0.619 nan 8.240 nan 0.000 0.536 354 A N 2.216 125.182 122.820 0.244 0.000 2.310 354 A HA 0.647 4.968 4.320 0.002 0.000 0.300 354 A C -0.230 177.676 177.584 0.537 0.000 1.269 354 A CA -0.931 51.280 52.037 0.290 0.000 0.909 354 A CB -0.990 18.116 19.000 0.176 0.000 1.144 354 A HN 1.036 nan 8.150 nan 0.000 0.540 355 F N 0.165 120.203 119.950 0.147 0.000 2.773 355 F HA 0.644 5.172 4.527 0.002 0.000 0.314 355 F C -1.756 173.803 175.800 -0.402 0.000 1.160 355 F CA -1.454 56.453 58.000 -0.155 0.000 0.920 355 F CB 1.084 40.126 39.000 0.071 0.000 1.323 355 F HN 0.239 nan 8.300 nan 0.000 0.457 356 L N 3.115 123.632 121.223 -1.178 0.000 2.265 356 L HA 0.497 4.838 4.340 0.002 0.000 0.289 356 L C 0.403 177.037 176.870 -0.393 0.000 1.033 356 L CA -0.776 53.543 54.840 -0.868 0.000 0.814 356 L CB 1.571 42.998 42.059 -1.053 0.000 1.203 356 L HN 0.902 nan 8.230 nan 0.000 0.423 357 S N 0.971 116.535 115.700 -0.227 0.000 2.617 357 S HA 0.069 4.540 4.470 0.002 0.000 0.259 357 S C 1.391 176.051 174.600 0.101 0.000 1.301 357 S CA -0.100 58.208 58.200 0.180 0.000 0.984 357 S CB 1.224 64.598 63.200 0.290 0.000 0.954 357 S HN 0.725 nan 8.310 nan 0.000 0.572 358 S N 0.291 116.075 115.700 0.140 0.000 2.383 358 S HA -0.140 4.332 4.470 0.002 0.000 0.229 358 S C 1.742 176.334 174.600 -0.013 0.000 1.030 358 S CA 1.301 59.516 58.200 0.024 0.000 1.002 358 S CB -1.240 61.821 63.200 -0.231 0.000 0.829 358 S HN 0.595 nan 8.310 nan 0.000 0.467 359 V N 2.998 122.793 119.914 -0.200 0.000 2.307 359 V HA -0.158 3.963 4.120 0.002 0.000 0.245 359 V C 2.471 178.524 176.094 -0.068 0.000 1.045 359 V CA 2.198 64.327 62.300 -0.285 0.000 1.024 359 V CB -0.869 30.549 31.823 -0.675 0.000 0.651 359 V HN 0.442 nan 8.190 nan 0.000 0.449 360 D N 0.109 120.516 120.400 0.012 0.000 2.144 360 D HA -0.136 4.506 4.640 0.002 0.000 0.199 360 D C 2.150 178.554 176.300 0.174 0.000 0.984 360 D CA 1.151 55.253 54.000 0.171 0.000 0.834 360 D CB -0.279 40.588 40.800 0.111 0.000 0.955 360 D HN 0.335 nan 8.370 nan 0.000 0.465 361 L N 0.306 121.544 121.223 0.025 0.000 2.046 361 L HA -0.178 4.163 4.340 0.002 0.000 0.208 361 L C 2.564 179.400 176.870 -0.057 0.000 1.077 361 L CA 1.106 55.924 54.840 -0.036 0.000 0.747 361 L CB -0.417 41.540 42.059 -0.169 0.000 0.896 361 L HN 0.191 nan 8.230 nan 0.000 0.432 362 H N -0.755 118.307 119.070 -0.013 0.000 2.357 362 H HA -0.124 4.433 4.556 0.002 0.000 0.301 362 H C 2.320 177.629 175.328 -0.031 0.000 1.082 362 H CA 1.944 57.983 56.048 -0.015 0.000 1.342 362 H CB -0.111 29.641 29.762 -0.018 0.000 1.389 362 H HN 0.316 nan 8.280 nan 0.000 0.511 363 T N -0.241 114.342 114.554 0.047 0.000 2.652 363 T HA -0.193 4.159 4.350 0.002 0.000 0.267 363 T C 1.923 176.665 174.700 0.069 0.000 1.039 363 T CA 1.761 63.807 62.100 -0.090 0.000 1.153 363 T CB -0.434 68.157 68.868 -0.461 0.000 0.863 363 T HN 0.462 nan 8.240 nan 0.000 0.428 364 H N -0.178 118.998 119.070 0.177 0.000 2.423 364 H HA 0.004 4.561 4.556 0.002 0.000 0.297 364 H C 2.443 177.905 175.328 0.224 0.000 1.075 364 H CA 0.953 57.218 56.048 0.362 0.000 1.342 364 H CB -0.820 29.196 29.762 0.424 0.000 1.395 364 H HN 0.421 nan 8.280 nan 0.000 0.530 365 C N -0.420 118.899 119.300 0.031 0.000 2.413 365 C HA -0.159 4.302 4.460 0.002 0.000 0.276 365 C C 2.927 177.860 174.990 -0.095 0.000 1.248 365 C CA 1.686 60.671 59.018 -0.056 0.000 1.742 365 C CB -1.250 26.445 27.740 -0.076 0.000 2.017 365 C HN 0.650 nan 8.230 nan 0.000 0.481 366 S N -0.814 114.835 115.700 -0.084 0.000 2.383 366 S HA -0.112 4.359 4.470 0.002 0.000 0.227 366 S C 1.430 175.884 174.600 -0.244 0.000 1.026 366 S CA 1.681 59.782 58.200 -0.164 0.000 0.981 366 S CB -0.550 62.523 63.200 -0.211 0.000 0.818 366 S HN 0.804 nan 8.310 nan 0.000 0.472 367 Y N 1.552 121.708 120.300 -0.238 0.000 2.200 367 Y HA -0.117 4.434 4.550 0.002 0.000 0.290 367 Y C 2.770 178.529 175.900 -0.235 0.000 1.137 367 Y CA 1.376 59.345 58.100 -0.218 0.000 1.163 367 Y CB -0.239 38.125 38.460 -0.160 0.000 0.988 367 Y HN 0.262 nan 8.280 nan 0.000 0.518 368 Q N 0.078 119.749 119.800 -0.216 0.000 2.311 368 Q HA -0.102 4.239 4.340 0.002 0.000 0.203 368 Q C 1.943 177.897 176.000 -0.076 0.000 0.954 368 Q CA 0.625 56.340 55.803 -0.147 0.000 0.885 368 Q CB -0.055 28.579 28.738 -0.173 0.000 0.963 368 Q HN 0.532 nan 8.270 nan 0.000 0.471 369 L N -0.259 120.910 121.223 -0.089 0.000 2.056 369 L HA -0.155 4.186 4.340 0.002 0.000 0.207 369 L C 2.283 179.115 176.870 -0.063 0.000 1.078 369 L CA 0.698 55.498 54.840 -0.067 0.000 0.749 369 L CB -0.214 41.800 42.059 -0.075 0.000 0.901 369 L HN 0.365 nan 8.230 nan 0.000 0.433 370 M N -0.982 118.565 119.600 -0.089 0.000 2.394 370 M HA 0.038 4.519 4.480 0.002 0.000 0.264 370 M C -0.010 176.265 176.300 -0.041 0.000 1.073 370 M CA 0.865 56.119 55.300 -0.077 0.000 1.111 370 M CB -0.400 32.123 32.600 -0.128 0.000 1.401 370 M HN 0.086 nan 8.290 nan 0.000 0.448 371 L N -0.379 120.823 121.223 -0.036 0.000 2.676 371 L HA 0.360 4.701 4.340 0.002 0.000 0.262 371 L C -2.231 174.628 176.870 -0.019 0.000 0.965 371 L CA -1.093 53.729 54.840 -0.029 0.000 0.920 371 L CB 1.765 43.779 42.059 -0.075 0.000 1.260 371 L HN -0.210 nan 8.230 nan 0.000 0.422 372 P HA -0.135 nan 4.420 nan 0.000 0.217 372 P C 0.447 177.739 177.300 -0.014 0.000 1.148 372 P CA 1.269 64.366 63.100 -0.005 0.000 0.828 372 P CB 0.420 32.121 31.700 0.001 0.000 0.783 373 E N -0.837 119.358 120.200 -0.009 0.000 2.511 373 E HA 0.132 4.483 4.350 0.002 0.000 0.196 373 E C 0.752 177.468 176.600 0.192 0.000 1.066 373 E CA -0.058 56.369 56.400 0.045 0.000 0.871 373 E CB -0.638 29.120 29.700 0.097 0.000 0.863 373 E HN 0.180 nan 8.360 nan 0.000 0.520 374 A N 1.493 124.381 122.820 0.114 0.000 2.531 374 A HA 0.321 4.642 4.320 0.002 0.000 0.236 374 A C 0.397 178.222 177.584 0.401 0.000 1.062 374 A CA -0.054 52.103 52.037 0.200 0.000 0.760 374 A CB -0.325 18.785 19.000 0.182 0.000 0.995 374 A HN 0.385 nan 8.150 nan 0.000 0.501 375 I N -1.173 119.568 120.570 0.286 0.000 2.740 375 I HA 0.830 5.001 4.170 0.002 0.000 0.303 375 I C -0.132 175.853 176.117 -0.219 0.000 1.044 375 I CA -1.082 60.248 61.300 0.051 0.000 1.064 375 I CB 2.494 40.448 38.000 -0.076 0.000 1.249 375 I HN 0.605 nan 8.210 nan 0.000 0.433 376 A N 6.632 129.086 122.820 -0.610 0.000 2.293 376 A HA 0.716 5.038 4.320 0.002 0.000 0.312 376 A C -0.599 176.576 177.584 -0.681 0.000 1.309 376 A CA -0.515 50.967 52.037 -0.924 0.000 0.839 376 A CB 0.329 18.709 19.000 -1.034 0.000 1.155 376 A HN 0.695 nan 8.150 nan 0.000 0.501 377 I N 2.849 123.013 120.570 -0.678 0.000 2.342 377 I HA 0.319 4.491 4.170 0.002 0.000 0.291 377 I C -0.566 175.200 176.117 -0.584 0.000 1.010 377 I CA -0.557 60.410 61.300 -0.555 0.000 1.308 377 I CB 1.668 39.401 38.000 -0.445 0.000 1.400 377 I HN 0.273 nan 8.210 nan 0.000 0.488 378 V N 6.093 125.682 119.914 -0.541 0.000 2.378 378 V HA 0.259 4.380 4.120 0.002 0.000 0.288 378 V C -0.313 175.528 176.094 -0.422 0.000 1.016 378 V CA -0.563 61.376 62.300 -0.602 0.000 0.840 378 V CB 1.474 32.948 31.823 -0.582 0.000 0.994 378 V HN 0.807 nan 8.190 nan 0.000 0.431 379 C N 3.411 122.509 119.300 -0.338 0.000 2.285 379 C HA 0.529 4.990 4.460 0.002 0.000 0.335 379 C C 0.964 175.906 174.990 -0.079 0.000 1.267 379 C CA -0.434 58.501 59.018 -0.139 0.000 1.762 379 C CB 0.412 28.153 27.740 0.002 0.000 2.365 379 C HN 0.835 nan 8.230 nan 0.000 0.527 380 S N 4.730 120.426 115.700 -0.007 0.000 2.252 380 S HA 0.224 4.695 4.470 0.002 0.000 0.180 380 S C -1.419 173.263 174.600 0.137 0.000 1.534 380 S CA -0.552 57.710 58.200 0.104 0.000 1.141 380 S CB 0.600 63.878 63.200 0.130 0.000 1.122 380 S HN 0.694 nan 8.310 nan 0.000 0.475 381 P HA -0.162 nan 4.420 nan 0.000 0.217 381 P C 1.381 178.720 177.300 0.064 0.000 1.150 381 P CA 0.942 64.085 63.100 0.071 0.000 0.832 381 P CB 0.297 32.025 31.700 0.046 0.000 0.787 382 K N -0.423 120.022 120.400 0.075 0.000 2.103 382 K HA -0.173 4.148 4.320 0.002 0.000 0.207 382 K C 1.880 178.401 176.600 -0.132 0.000 1.048 382 K CA 1.212 57.477 56.287 -0.036 0.000 0.930 382 K CB -0.294 32.166 32.500 -0.067 0.000 0.716 382 K HN 0.283 nan 8.250 nan 0.000 0.444 383 H N 0.056 119.155 119.070 0.048 0.000 2.539 383 H HA 0.088 4.645 4.556 0.002 0.000 0.269 383 H C -0.107 175.241 175.328 0.035 0.000 0.980 383 H CA 0.330 56.407 56.048 0.047 0.000 1.152 383 H CB 0.531 30.334 29.762 0.070 0.000 1.407 383 H HN 0.057 nan 8.280 nan 0.000 0.564 384 K N 1.583 122.048 120.400 0.108 0.000 3.077 384 K HA -0.193 4.128 4.320 0.002 0.000 0.264 384 K C -0.813 175.827 176.600 0.065 0.000 1.008 384 K CA 0.716 57.042 56.287 0.066 0.000 0.740 384 K CB -0.941 31.582 32.500 0.038 0.000 1.273 384 K HN 0.353 nan 8.250 nan 0.000 0.477 385 D N -1.052 119.396 120.400 0.080 0.000 2.601 385 D HA 0.554 5.195 4.640 0.002 0.000 0.230 385 D C -0.946 175.351 176.300 -0.004 0.000 1.106 385 D CA -0.414 53.615 54.000 0.048 0.000 0.873 385 D CB 1.548 42.397 40.800 0.083 0.000 1.515 385 D HN 0.026 nan 8.370 nan 0.000 0.468 386 T N 0.676 115.196 114.554 -0.057 0.000 2.916 386 T HA 0.728 5.079 4.350 0.002 0.000 0.298 386 T C -0.229 174.324 174.700 -0.244 0.000 1.031 386 T CA -0.854 61.160 62.100 -0.144 0.000 0.993 386 T CB 1.650 70.434 68.868 -0.140 0.000 1.045 386 T HN 0.380 nan 8.240 nan 0.000 0.454 387 G N 1.623 110.165 108.800 -0.430 0.000 2.415 387 G HA2 0.707 4.668 3.960 0.002 0.000 0.327 387 G HA3 0.707 4.668 3.960 0.002 0.000 0.327 387 G C -0.812 173.408 174.900 -1.133 0.000 1.182 387 G CA -0.715 43.803 45.100 -0.970 0.000 0.924 387 G HN 0.768 nan 8.290 nan 0.000 0.470 388 I N 2.069 122.029 120.570 -1.016 0.000 2.390 388 I HA 0.379 4.550 4.170 0.002 0.000 0.283 388 I C -0.998 174.793 176.117 -0.543 0.000 1.016 388 I CA -0.391 60.514 61.300 -0.657 0.000 1.151 388 I CB 0.958 38.733 38.000 -0.375 0.000 1.293 388 I HN 0.168 nan 8.210 nan 0.000 0.458 389 F N 5.181 125.022 119.950 -0.181 0.000 2.579 389 F HA 0.745 5.274 4.527 0.003 0.000 0.324 389 F C 0.287 176.000 175.800 -0.145 0.000 1.058 389 F CA -0.951 56.994 58.000 -0.091 0.000 0.944 389 F CB 1.755 40.697 39.000 -0.097 0.000 1.245 389 F HN 0.388 nan 8.300 nan 0.000 0.477 390 R N 0.333 120.993 120.500 0.266 0.000 2.764 390 R HA 0.773 5.114 4.340 0.002 0.000 0.270 390 R C -2.241 174.236 176.300 0.296 0.000 1.014 390 R CA -1.059 55.185 56.100 0.239 0.000 0.904 390 R CB 1.230 31.702 30.300 0.287 0.000 1.236 390 R HN 0.441 nan 8.270 nan 0.000 0.466 391 L N 1.608 123.023 121.223 0.321 0.000 2.371 391 L HA 0.301 4.642 4.340 0.002 0.000 0.272 391 L C 0.745 177.705 176.870 0.151 0.000 1.124 391 L CA 0.274 55.251 54.840 0.227 0.000 0.816 391 L CB 1.565 43.729 42.059 0.175 0.000 1.129 391 L HN 0.903 nan 8.230 nan 0.000 0.448 392 T N -1.200 113.420 114.554 0.110 0.000 2.754 392 T HA 0.149 4.500 4.350 0.002 0.000 0.286 392 T C 1.191 175.918 174.700 0.045 0.000 0.997 392 T CA -0.600 61.537 62.100 0.063 0.000 0.982 392 T CB 0.411 69.297 68.868 0.031 0.000 1.027 392 T HN 0.490 nan 8.240 nan 0.000 0.529 393 N N 0.918 119.636 118.700 0.030 0.000 2.061 393 N HA -0.123 4.618 4.740 0.002 0.000 0.193 393 N C 2.251 177.771 175.510 0.018 0.000 1.030 393 N CA 1.783 54.845 53.050 0.021 0.000 0.856 393 N CB -1.231 37.265 38.487 0.015 0.000 1.023 393 N HN 0.829 nan 8.380 nan 0.000 0.424 394 A N 0.444 123.274 122.820 0.017 0.000 1.940 394 A HA -0.034 4.287 4.320 0.002 0.000 0.219 394 A C 2.400 179.993 177.584 0.015 0.000 1.176 394 A CA 2.027 54.075 52.037 0.017 0.000 0.631 394 A CB -1.241 17.769 19.000 0.016 0.000 0.814 394 A HN 0.382 nan 8.150 nan 0.000 0.446 395 G N -0.859 107.951 108.800 0.017 0.000 2.433 395 G HA2 -0.212 3.749 3.960 0.002 0.000 0.216 395 G HA3 -0.212 3.749 3.960 0.002 0.000 0.216 395 G C 1.520 176.407 174.900 -0.022 0.000 1.186 395 G CA 1.269 46.370 45.100 0.001 0.000 0.779 395 G HN 0.332 nan 8.290 nan 0.000 0.543 396 M N -0.112 119.489 119.600 0.001 0.000 2.108 396 M HA -0.003 4.478 4.480 0.002 0.000 0.261 396 M C 2.505 178.796 176.300 -0.014 0.000 1.066 396 M CA 0.888 56.183 55.300 -0.010 0.000 1.107 396 M CB -1.124 31.479 32.600 0.004 0.000 1.356 396 M HN 0.276 nan 8.290 nan 0.000 0.406 397 L N 0.403 121.626 121.223 -0.000 0.000 2.027 397 L HA -0.145 4.196 4.340 0.002 0.000 0.206 397 L C 2.386 179.266 176.870 0.017 0.000 1.074 397 L CA 1.968 56.813 54.840 0.009 0.000 0.745 397 L CB -0.741 41.327 42.059 0.015 0.000 0.898 397 L HN 0.367 nan 8.230 nan 0.000 0.433 398 E N -1.169 119.043 120.200 0.020 0.000 2.047 398 E HA -0.170 4.182 4.350 0.002 0.000 0.191 398 E C 2.013 178.645 176.600 0.054 0.000 0.987 398 E CA 1.578 58.013 56.400 0.057 0.000 0.799 398 E CB 0.024 29.773 29.700 0.081 0.000 0.752 398 E HN 0.364 nan 8.360 nan 0.000 0.449 399 V N 1.163 121.032 119.914 -0.075 0.000 2.453 399 V HA -0.216 3.905 4.120 0.002 0.000 0.247 399 V C 2.532 178.577 176.094 -0.082 0.000 1.048 399 V CA 1.720 63.896 62.300 -0.206 0.000 1.049 399 V CB -0.423 31.144 31.823 -0.427 0.000 0.672 399 V HN 0.420 nan 8.190 nan 0.000 0.457 400 S N 1.287 116.964 115.700 -0.038 0.000 2.419 400 S HA -0.092 4.379 4.470 0.002 0.000 0.233 400 S C 1.938 176.564 174.600 0.043 0.000 1.016 400 S CA 1.271 59.473 58.200 0.003 0.000 0.974 400 S CB -0.381 62.814 63.200 -0.008 0.000 0.786 400 S HN 0.558 nan 8.310 nan 0.000 0.492 401 A N 0.043 122.897 122.820 0.055 0.000 2.123 401 A HA 0.251 4.572 4.320 0.002 0.000 0.214 401 A C 1.258 178.899 177.584 0.095 0.000 1.152 401 A CA 0.388 52.462 52.037 0.063 0.000 0.728 401 A CB -0.939 18.093 19.000 0.054 0.000 0.814 401 A HN 0.675 nan 8.150 nan 0.000 0.464 402 C N 1.425 120.826 119.300 0.168 0.000 2.566 402 C HA 0.409 4.870 4.460 0.002 0.000 0.393 402 C C 1.133 176.233 174.990 0.183 0.000 1.309 402 C CA -0.487 58.666 59.018 0.226 0.000 1.801 402 C CB -0.371 27.650 27.740 0.468 0.000 2.493 402 C HN 0.393 nan 8.230 nan 0.000 0.575 403 K N 3.590 124.009 120.400 0.032 0.000 2.358 403 K HA 0.141 4.462 4.320 0.002 0.000 0.197 403 K C 0.591 177.097 176.600 -0.158 0.000 1.025 403 K CA 0.096 56.358 56.287 -0.043 0.000 1.104 403 K CB 0.076 32.551 32.500 -0.040 0.000 0.855 403 K HN 0.645 nan 8.250 nan 0.000 0.531 404 K N 1.513 121.742 120.400 -0.284 0.000 2.237 404 K HA 0.148 4.469 4.320 0.002 0.000 0.270 404 K C 0.158 176.454 176.600 -0.507 0.000 1.015 404 K CA -0.121 55.853 56.287 -0.521 0.000 0.949 404 K CB 0.777 32.672 32.500 -1.009 0.000 0.976 404 K HN -0.216 nan 8.250 nan 0.000 0.472 405 K N -0.193 120.015 120.400 -0.320 0.000 2.185 405 K HA 0.533 4.854 4.320 0.002 0.000 0.240 405 K C 0.215 176.781 176.600 -0.056 0.000 0.983 405 K CA 0.221 56.392 56.287 -0.193 0.000 0.873 405 K CB 1.364 33.777 32.500 -0.145 0.000 1.118 405 K HN 0.765 nan 8.250 nan 0.000 0.441 406 G N 0.556 109.284 108.800 -0.120 0.000 2.601 406 G HA2 -0.288 3.674 3.960 0.002 0.000 0.252 406 G HA3 -0.288 3.674 3.960 0.002 0.000 0.252 406 G C -0.786 174.050 174.900 -0.106 0.000 1.294 406 G CA -0.415 44.599 45.100 -0.142 0.000 0.912 406 G HN 0.366 nan 8.290 nan 0.000 0.574 407 F N 3.325 123.308 119.950 0.055 0.000 2.438 407 F HA 0.597 5.125 4.527 0.002 0.000 0.356 407 F C 1.250 177.102 175.800 0.087 0.000 1.099 407 F CA 0.758 58.769 58.000 0.018 0.000 1.185 407 F CB 1.057 40.076 39.000 0.031 0.000 1.115 407 F HN 0.762 nan 8.300 nan 0.000 0.526 408 H N 1.414 120.599 119.070 0.192 0.000 3.037 408 H HA 0.465 5.021 4.556 0.001 0.000 0.355 408 H C -3.250 172.126 175.328 0.081 0.000 1.263 408 H CA -2.589 53.514 56.048 0.091 0.000 1.129 408 H CB 0.847 30.608 29.762 -0.002 0.000 1.861 408 H HN 0.229 nan 8.280 nan 0.000 0.546 409 P HA 0.244 nan 4.420 nan 0.000 0.271 409 P C -0.349 176.943 177.300 -0.013 0.000 1.218 409 P CA 0.202 63.344 63.100 0.071 0.000 0.780 409 P CB 0.698 32.435 31.700 0.062 0.000 0.901 410 H N -0.741 118.402 119.070 0.122 0.000 2.941 410 H HA 0.315 4.872 4.556 0.003 0.000 0.344 410 H C -0.191 175.192 175.328 0.091 0.000 1.235 410 H CA -0.460 55.662 56.048 0.123 0.000 1.149 410 H CB 1.580 31.410 29.762 0.114 0.000 1.885 410 H HN 0.224 nan 8.280 nan 0.000 0.558 411 T N 2.083 116.793 114.554 0.259 0.000 2.940 411 T HA 0.035 4.386 4.350 0.002 0.000 0.309 411 T C 1.369 176.140 174.700 0.118 0.000 1.056 411 T CA -0.181 62.007 62.100 0.145 0.000 1.137 411 T CB 0.711 69.650 68.868 0.119 0.000 0.976 411 T HN 0.277 nan 8.240 nan 0.000 0.547 412 K N 1.183 121.626 120.400 0.072 0.000 2.313 412 K HA 0.188 4.510 4.320 0.002 0.000 0.197 412 K C 0.280 176.882 176.600 0.003 0.000 1.061 412 K CA 0.694 57.005 56.287 0.039 0.000 0.980 412 K CB 0.668 33.184 32.500 0.027 0.000 0.888 412 K HN 0.572 nan 8.250 nan 0.000 0.502 413 E N 1.466 121.672 120.200 0.010 0.000 2.260 413 E HA 0.321 4.672 4.350 0.002 0.000 0.266 413 E C -2.519 174.086 176.600 0.008 0.000 0.887 413 E CA -1.835 54.563 56.400 -0.003 0.000 0.777 413 E CB 1.934 31.630 29.700 -0.006 0.000 1.205 413 E HN -0.066 nan 8.360 nan 0.000 0.414 414 P HA 0.179 nan 4.420 nan 0.000 0.272 414 P C -0.167 177.122 177.300 -0.018 0.000 1.223 414 P CA -0.263 62.831 63.100 -0.011 0.000 0.784 414 P CB 0.725 32.422 31.700 -0.005 0.000 0.923 415 R N 0.943 121.410 120.500 -0.055 0.000 2.643 415 R HA 0.158 4.500 4.340 0.002 0.000 0.270 415 R C 1.043 177.305 176.300 -0.063 0.000 1.061 415 R CA -0.162 55.877 56.100 -0.102 0.000 1.107 415 R CB 0.170 30.341 30.300 -0.215 0.000 0.999 415 R HN 0.497 nan 8.270 nan 0.000 0.460 416 L N 2.533 123.742 121.223 -0.023 0.000 2.554 416 L HA 0.220 4.561 4.340 0.002 0.000 0.225 416 L C 0.037 177.005 176.870 0.163 0.000 1.104 416 L CA 0.160 55.041 54.840 0.069 0.000 0.866 416 L CB 0.029 42.141 42.059 0.088 0.000 1.047 416 L HN 0.526 nan 8.230 nan 0.000 0.468 417 F N -1.799 118.121 119.950 -0.050 0.000 2.643 417 F HA 0.742 5.269 4.527 0.001 0.000 0.314 417 F C -0.487 175.296 175.800 -0.029 0.000 1.096 417 F CA -0.971 56.998 58.000 -0.051 0.000 0.953 417 F CB 1.318 40.235 39.000 -0.139 0.000 1.345 417 F HN -0.185 nan 8.300 nan 0.000 0.468 418 S N 0.907 116.685 115.700 0.129 0.000 2.618 418 S HA 0.706 5.177 4.470 0.002 0.000 0.277 418 S C -1.076 173.730 174.600 0.343 0.000 1.138 418 S CA -1.010 57.246 58.200 0.094 0.000 0.844 418 S CB 1.562 64.800 63.200 0.062 0.000 1.127 418 S HN 0.808 nan 8.310 nan 0.000 0.474 419 I N 1.439 122.173 120.570 0.274 0.000 2.556 419 I HA 0.140 4.311 4.170 0.002 0.000 0.284 419 I C 0.348 176.548 176.117 0.138 0.000 1.114 419 I CA -0.499 60.935 61.300 0.224 0.000 1.418 419 I CB 0.143 38.217 38.000 0.123 0.000 1.394 419 I HN 0.648 nan 8.210 nan 0.000 0.552 420 C N 6.307 125.664 119.300 0.095 0.000 2.657 420 C HA 0.012 4.473 4.460 0.002 0.000 0.420 420 C C 1.657 176.698 174.990 0.085 0.000 1.323 420 C CA -0.149 58.941 59.018 0.120 0.000 1.894 420 C CB -0.383 27.354 27.740 -0.005 0.000 2.681 420 C HN 0.810 nan 8.230 nan 0.000 0.613 421 K N 0.600 121.105 120.400 0.175 0.000 2.374 421 K HA 0.042 4.364 4.320 0.002 0.000 0.202 421 K C 1.352 178.038 176.600 0.143 0.000 1.040 421 K CA 0.135 56.492 56.287 0.118 0.000 1.085 421 K CB 0.108 32.671 32.500 0.105 0.000 0.873 421 K HN 0.847 nan 8.250 nan 0.000 0.539 422 H N -1.258 117.832 119.070 0.034 0.000 2.586 422 H HA 0.180 4.737 4.556 0.002 0.000 0.273 422 H C -0.026 175.328 175.328 0.043 0.000 0.997 422 H CA -0.175 55.901 56.048 0.046 0.000 1.177 422 H CB -0.251 29.551 29.762 0.067 0.000 1.471 422 H HN -0.224 nan 8.280 nan 0.000 0.538 423 V N 2.665 122.408 119.914 -0.285 0.000 2.407 423 V HA 0.138 4.260 4.120 0.002 0.000 0.278 423 V C -0.301 175.727 176.094 -0.109 0.000 1.037 423 V CA -0.770 61.375 62.300 -0.259 0.000 0.900 423 V CB 1.603 33.245 31.823 -0.302 0.000 0.983 423 V HN 0.193 nan 8.190 nan 0.000 0.459 424 L N 7.294 128.478 121.223 -0.066 0.000 2.280 424 L HA 0.562 4.904 4.340 0.002 0.000 0.287 424 L C -0.267 176.579 176.870 -0.039 0.000 1.023 424 L CA 0.100 54.919 54.840 -0.035 0.000 0.819 424 L CB 1.585 43.640 42.059 -0.006 0.000 1.212 424 L HN 0.422 nan 8.230 nan 0.000 0.420 425 V N 5.904 125.792 119.914 -0.044 0.000 2.461 425 V HA 0.435 4.556 4.120 0.002 0.000 0.275 425 V C 0.157 176.234 176.094 -0.028 0.000 1.047 425 V CA -0.428 61.846 62.300 -0.043 0.000 0.955 425 V CB 0.810 32.601 31.823 -0.052 0.000 0.988 425 V HN 0.721 nan 8.190 nan 0.000 0.471 426 K N 2.469 122.856 120.400 -0.022 0.000 2.469 426 K HA 0.365 4.686 4.320 0.002 0.000 0.254 426 K C -1.122 175.469 176.600 -0.015 0.000 0.939 426 K CA -0.953 55.325 56.287 -0.014 0.000 0.812 426 K CB 2.278 34.775 32.500 -0.006 0.000 1.301 426 K HN 0.554 nan 8.250 nan 0.000 0.433 427 D N 3.827 124.219 120.400 -0.013 0.000 2.470 427 D HA 0.198 4.839 4.640 0.002 0.000 0.226 427 D C -0.449 175.846 176.300 -0.009 0.000 1.196 427 D CA -0.186 53.806 54.000 -0.013 0.000 0.979 427 D CB -0.411 40.380 40.800 -0.015 0.000 1.059 427 D HN 0.464 nan 8.370 nan 0.000 0.515 428 I N -1.231 119.334 120.570 -0.009 0.000 3.145 428 I HA 0.546 4.717 4.170 0.002 0.000 0.313 428 I C -0.182 175.927 176.117 -0.013 0.000 1.122 428 I CA -1.619 59.676 61.300 -0.008 0.000 0.987 428 I CB 1.484 39.481 38.000 -0.004 0.000 1.236 428 I HN -0.146 nan 8.210 nan 0.000 0.453 429 K N 2.119 122.509 120.400 -0.017 0.000 2.489 429 K HA 0.309 4.630 4.320 0.002 0.000 0.278 429 K C -1.081 175.492 176.600 -0.045 0.000 1.000 429 K CA 0.256 56.526 56.287 -0.030 0.000 1.012 429 K CB 0.552 33.031 32.500 -0.035 0.000 0.903 429 K HN 0.637 nan 8.250 nan 0.000 0.485 430 I N 5.450 125.988 120.570 -0.054 0.000 2.533 430 I HA 0.378 4.549 4.170 0.002 0.000 0.290 430 I C -1.383 174.663 176.117 -0.118 0.000 1.056 430 I CA -0.862 60.390 61.300 -0.079 0.000 1.057 430 I CB 1.455 39.433 38.000 -0.037 0.000 1.240 430 I HN 0.670 nan 8.210 nan 0.000 0.423 431 I N 7.566 127.996 120.570 -0.232 0.000 2.331 431 I HA 0.400 4.571 4.170 0.002 0.000 0.292 431 I C -0.720 175.314 176.117 -0.139 0.000 0.998 431 I CA -0.741 60.399 61.300 -0.267 0.000 1.267 431 I CB 1.380 39.032 38.000 -0.580 0.000 1.386 431 I HN 0.204 nan 8.210 nan 0.000 0.476 432 V N 7.842 127.724 119.914 -0.053 0.000 2.357 432 V HA 0.415 4.536 4.120 0.002 0.000 0.284 432 V C -0.120 175.992 176.094 0.030 0.000 1.018 432 V CA -0.515 61.793 62.300 0.013 0.000 0.841 432 V CB 1.468 33.302 31.823 0.018 0.000 0.991 432 V HN 0.470 nan 8.190 nan 0.000 0.437 433 L N 4.192 125.455 121.223 0.065 0.000 2.319 433 L HA 0.568 4.910 4.340 0.002 0.000 0.281 433 L C -0.712 176.199 176.870 0.067 0.000 1.005 433 L CA -0.399 54.477 54.840 0.061 0.000 0.828 433 L CB 1.857 43.959 42.059 0.072 0.000 1.227 433 L HN 0.531 nan 8.230 nan 0.000 0.415 434 D N 3.897 124.325 120.400 0.048 0.000 2.427 434 D HA 0.283 4.924 4.640 0.002 0.000 0.226 434 D C 0.523 176.848 176.300 0.042 0.000 1.076 434 D CA -0.260 53.767 54.000 0.046 0.000 0.849 434 D CB 1.458 42.272 40.800 0.022 0.000 1.052 434 D HN 0.407 nan 8.370 nan 0.000 0.515 435 L N 2.732 123.987 121.223 0.052 0.000 2.592 435 L HA 0.222 4.563 4.340 0.002 0.000 0.227 435 L C 1.533 178.427 176.870 0.040 0.000 1.127 435 L CA -0.065 54.803 54.840 0.047 0.000 0.884 435 L CB -0.081 42.012 42.059 0.056 0.000 1.065 435 L HN 0.126 nan 8.230 nan 0.000 0.457 436 R N 0.000 120.522 120.500 0.037 0.000 2.786 436 R HA 0.000 4.341 4.340 0.002 0.000 0.208 436 R CA 0.000 56.118 56.100 0.030 0.000 0.921 436 R CB 0.000 30.315 30.300 0.025 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535