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_D 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 3.941 3.960 -0.031 0.000 0.244 265 G C 0.000 174.899 174.900 -0.002 0.000 0.946 265 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 266 L N 2.350 123.561 121.223 -0.020 0.000 2.397 266 L HA 0.477 4.798 4.340 -0.031 0.000 0.271 266 L C 0.812 177.714 176.870 0.054 0.000 1.148 266 L CA -0.615 54.203 54.840 -0.036 0.000 0.825 266 L CB 0.868 42.785 42.059 -0.238 0.000 1.117 266 L HN 0.108 nan 8.230 nan 0.000 0.456 267 R N 1.096 121.667 120.500 0.118 0.000 2.594 267 R HA 0.125 4.447 4.340 -0.031 0.000 0.272 267 R C -0.218 176.246 176.300 0.274 0.000 1.074 267 R CA -0.531 55.661 56.100 0.154 0.000 1.105 267 R CB 0.664 31.041 30.300 0.129 0.000 1.008 267 R HN 0.638 nan 8.270 nan 0.000 0.472 268 C N 2.914 122.328 119.300 0.190 0.000 2.657 268 C HA 0.219 4.660 4.460 -0.031 0.000 0.420 268 C C 0.154 175.300 174.990 0.260 0.000 1.323 268 C CA -0.268 58.868 59.018 0.197 0.000 1.894 268 C CB -0.280 27.521 27.740 0.101 0.000 2.681 268 C HN 0.482 nan 8.230 nan 0.000 0.613 269 V N 7.416 127.441 119.914 0.184 0.000 2.409 269 V HA 0.352 4.453 4.120 -0.031 0.000 0.291 269 V C -0.072 176.045 176.094 0.040 0.000 1.020 269 V CA -0.413 61.977 62.300 0.149 0.000 0.848 269 V CB 1.569 33.425 31.823 0.054 0.000 0.990 269 V HN 0.760 nan 8.190 nan 0.000 0.430 270 V N 6.386 126.341 119.914 0.069 0.000 2.406 270 V HA 0.382 4.483 4.120 -0.031 0.000 0.272 270 V C -0.195 175.902 176.094 0.005 0.000 1.043 270 V CA -0.442 61.873 62.300 0.026 0.000 0.915 270 V CB 1.453 33.298 31.823 0.038 0.000 0.988 270 V HN 0.637 nan 8.190 nan 0.000 0.466 271 L N 9.296 130.502 121.223 -0.028 0.000 2.280 271 L HA 0.652 4.974 4.340 -0.031 0.000 0.287 271 L C -2.551 174.298 176.870 -0.035 0.000 1.023 271 L CA -2.034 52.780 54.840 -0.044 0.000 0.819 271 L CB 1.562 43.572 42.059 -0.082 0.000 1.212 271 L HN 0.363 nan 8.230 nan 0.000 0.420 272 P HA 0.033 nan 4.420 nan 0.000 0.264 272 P C 0.367 177.651 177.300 -0.026 0.000 1.193 272 P CA 0.191 63.278 63.100 -0.023 0.000 0.763 272 P CB 0.574 32.262 31.700 -0.020 0.000 0.810 273 E N 2.445 122.630 120.200 -0.024 0.000 2.130 273 E HA -0.273 4.059 4.350 -0.031 0.000 0.196 273 E C 0.419 177.011 176.600 -0.012 0.000 0.998 273 E CA 1.456 57.841 56.400 -0.025 0.000 0.806 273 E CB 0.012 29.695 29.700 -0.028 0.000 0.738 273 E HN 0.403 nan 8.360 nan 0.000 0.459 274 D N 0.140 120.541 120.400 0.001 0.000 2.340 274 D HA -0.020 4.602 4.640 -0.031 0.000 0.220 274 D C 1.710 178.051 176.300 0.069 0.000 1.039 274 D CA -0.031 53.992 54.000 0.039 0.000 0.866 274 D CB 0.077 40.899 40.800 0.037 0.000 0.913 274 D HN 0.250 nan 8.370 nan 0.000 0.523 275 L N 0.088 121.328 121.223 0.028 0.000 1.989 275 L HA -0.237 4.084 4.340 -0.031 0.000 0.211 275 L C 1.953 178.859 176.870 0.061 0.000 1.071 275 L CA 1.487 56.342 54.840 0.026 0.000 0.749 275 L CB -0.143 41.903 42.059 -0.022 0.000 0.890 275 L HN 0.074 nan 8.230 nan 0.000 0.431 276 C N -0.728 118.597 119.300 0.041 0.000 2.429 276 C HA -0.200 4.241 4.460 -0.031 0.000 0.277 276 C C 2.709 177.773 174.990 0.122 0.000 1.262 276 C CA 0.922 59.980 59.018 0.067 0.000 1.733 276 C CB -1.479 26.265 27.740 0.007 0.000 2.010 276 C HN 0.658 nan 8.230 nan 0.000 0.483 277 H N 1.503 120.588 119.070 0.025 0.000 2.319 277 H HA -0.133 4.405 4.556 -0.029 0.000 0.299 277 H C 2.093 177.436 175.328 0.024 0.000 1.092 277 H CA 1.801 57.858 56.048 0.015 0.000 1.302 277 H CB -0.188 29.573 29.762 -0.002 0.000 1.373 277 H HN 0.478 nan 8.280 nan 0.000 0.497 278 K N -0.358 120.024 120.400 -0.029 0.000 2.057 278 K HA -0.154 4.147 4.320 -0.031 0.000 0.207 278 K C 2.224 178.799 176.600 -0.042 0.000 1.049 278 K CA 1.323 57.568 56.287 -0.071 0.000 0.931 278 K CB -0.326 32.196 32.500 0.037 0.000 0.714 278 K HN 0.174 nan 8.250 nan 0.000 0.440 279 F N 2.031 121.927 119.950 -0.090 0.000 2.134 279 F HA -0.140 4.360 4.527 -0.045 0.000 0.299 279 F C 1.834 177.582 175.800 -0.086 0.000 1.097 279 F CA 1.212 59.170 58.000 -0.070 0.000 1.264 279 F CB -0.225 38.743 39.000 -0.054 0.000 1.001 279 F HN -0.113 nan 8.300 nan 0.000 0.479 280 L N -0.180 120.968 121.223 -0.126 0.000 2.083 280 L HA -0.261 4.060 4.340 -0.031 0.000 0.209 280 L C 2.509 179.220 176.870 -0.267 0.000 1.083 280 L CA 1.492 56.210 54.840 -0.204 0.000 0.752 280 L CB -0.808 41.195 42.059 -0.092 0.000 0.899 280 L HN 0.240 nan 8.230 nan 0.000 0.433 281 Q N -0.246 119.377 119.800 -0.294 0.000 2.084 281 Q HA -0.241 4.081 4.340 -0.031 0.000 0.202 281 Q C 2.341 178.211 176.000 -0.216 0.000 0.978 281 Q CA 1.551 57.199 55.803 -0.258 0.000 0.844 281 Q CB -0.184 28.379 28.738 -0.291 0.000 0.898 281 Q HN 0.508 nan 8.270 nan 0.000 0.426 282 L N -0.126 120.947 121.223 -0.250 0.000 2.093 282 L HA -0.040 4.281 4.340 -0.031 0.000 0.208 282 L C 1.968 178.671 176.870 -0.278 0.000 1.085 282 L CA 1.287 55.990 54.840 -0.229 0.000 0.755 282 L CB -0.178 41.755 42.059 -0.211 0.000 0.904 282 L HN 0.092 nan 8.230 nan 0.000 0.435 283 A N -0.931 121.635 122.820 -0.423 0.000 2.238 283 A HA -0.086 4.216 4.320 -0.031 0.000 0.208 283 A C 1.994 179.454 177.584 -0.207 0.000 1.177 283 A CA 0.727 52.537 52.037 -0.378 0.000 0.804 283 A CB -0.437 18.207 19.000 -0.593 0.000 0.823 283 A HN 0.612 nan 8.150 nan 0.000 0.482 284 E N 0.982 121.076 120.200 -0.176 0.000 2.070 284 E HA -0.230 4.101 4.350 -0.031 0.000 0.197 284 E C 2.096 178.646 176.600 -0.082 0.000 1.004 284 E CA 1.913 58.243 56.400 -0.117 0.000 0.805 284 E CB -0.126 29.512 29.700 -0.104 0.000 0.744 284 E HN 0.716 nan 8.360 nan 0.000 0.451 285 S N 0.005 115.660 115.700 -0.076 0.000 2.442 285 S HA -0.114 4.338 4.470 -0.031 0.000 0.236 285 S C 1.562 176.137 174.600 -0.043 0.000 1.007 285 S CA 1.070 59.239 58.200 -0.052 0.000 0.965 285 S CB -0.211 62.962 63.200 -0.045 0.000 0.773 285 S HN 0.235 nan 8.310 nan 0.000 0.504 286 N N 1.541 120.210 118.700 -0.051 0.000 2.278 286 N HA 0.048 4.770 4.740 -0.031 0.000 0.181 286 N C 1.790 177.284 175.510 -0.026 0.000 1.023 286 N CA 1.670 54.700 53.050 -0.032 0.000 0.862 286 N CB -1.238 37.233 38.487 -0.026 0.000 1.003 286 N HN 0.407 nan 8.380 nan 0.000 0.431 287 T N 1.737 116.267 114.554 -0.041 0.000 2.699 287 T HA -0.119 4.213 4.350 -0.031 0.000 0.268 287 T C 2.084 176.770 174.700 -0.024 0.000 1.036 287 T CA 1.710 63.793 62.100 -0.028 0.000 1.147 287 T CB -0.450 68.389 68.868 -0.048 0.000 0.862 287 T HN 0.244 nan 8.240 nan 0.000 0.446 288 V N 0.393 120.288 119.914 -0.031 0.000 2.913 288 V HA 0.016 4.117 4.120 -0.031 0.000 0.260 288 V C 1.839 177.921 176.094 -0.020 0.000 1.098 288 V CA 1.243 63.527 62.300 -0.027 0.000 1.121 288 V CB -0.807 30.999 31.823 -0.029 0.000 0.714 288 V HN 0.375 nan 8.190 nan 0.000 0.487 289 R N 0.887 121.376 120.500 -0.018 0.000 2.317 289 R HA 0.394 4.716 4.340 -0.031 0.000 0.208 289 R C 1.634 177.929 176.300 -0.009 0.000 0.914 289 R CA 0.549 56.641 56.100 -0.014 0.000 1.060 289 R CB 0.280 30.571 30.300 -0.015 0.000 1.015 289 R HN 0.709 nan 8.270 nan 0.000 0.498 290 G N 1.566 110.362 108.800 -0.005 0.000 2.143 290 G HA2 -0.267 3.675 3.960 -0.031 0.000 0.249 290 G HA3 -0.267 3.675 3.960 -0.031 0.000 0.249 290 G C 0.092 175.000 174.900 0.014 0.000 0.981 290 G CA -0.173 44.929 45.100 0.003 0.000 0.665 290 G HN 0.236 nan 8.290 nan 0.000 0.528 291 I N 1.134 121.712 120.570 0.014 0.000 2.392 291 I HA 0.647 4.798 4.170 -0.031 0.000 0.295 291 I C 0.922 177.072 176.117 0.056 0.000 0.985 291 I CA -0.560 60.755 61.300 0.025 0.000 1.221 291 I CB 1.786 39.791 38.000 0.007 0.000 1.366 291 I HN 0.259 nan 8.210 nan 0.000 0.467 292 A N 4.362 127.243 122.820 0.100 0.000 2.332 292 A HA 0.722 5.024 4.320 -0.031 0.000 0.258 292 A C -0.117 177.567 177.584 0.168 0.000 1.087 292 A CA -0.023 52.119 52.037 0.176 0.000 0.802 292 A CB 0.353 19.520 19.000 0.277 0.000 1.042 292 A HN 0.705 nan 8.150 nan 0.000 0.489 293 T N 0.059 114.751 114.554 0.229 0.000 2.912 293 T HA 0.547 4.878 4.350 -0.031 0.000 0.299 293 T C -0.451 174.546 174.700 0.495 0.000 1.052 293 T CA -0.156 62.088 62.100 0.240 0.000 0.996 293 T CB 0.860 69.746 68.868 0.029 0.000 1.070 293 T HN 1.333 nan 8.240 nan 0.000 0.465 294 C N 0.434 120.011 119.300 0.463 0.000 2.848 294 C HA 1.100 5.542 4.460 -0.031 0.000 0.317 294 C C 0.413 175.647 174.990 0.407 0.000 1.260 294 C CA -0.604 58.702 59.018 0.480 0.000 1.656 294 C CB 0.893 28.861 27.740 0.379 0.000 2.174 294 C HN 1.211 nan 8.230 nan 0.000 0.479 295 G N 0.701 109.627 108.800 0.209 0.000 2.684 295 G HA2 0.648 4.590 3.960 -0.031 0.000 0.290 295 G HA3 0.648 4.590 3.960 -0.031 0.000 0.290 295 G C -1.696 173.255 174.900 0.086 0.000 1.425 295 G CA -0.615 44.572 45.100 0.144 0.000 0.822 295 G HN 0.768 nan 8.290 nan 0.000 0.482 296 I N 0.888 121.515 120.570 0.095 0.000 2.359 296 I HA 0.362 4.514 4.170 -0.031 0.000 0.294 296 I C -0.080 176.073 176.117 0.061 0.000 0.987 296 I CA -0.504 60.857 61.300 0.102 0.000 1.225 296 I CB 1.349 39.426 38.000 0.129 0.000 1.366 296 I HN 0.240 nan 8.210 nan 0.000 0.466 297 L N 6.607 127.857 121.223 0.045 0.000 2.265 297 L HA 0.485 4.807 4.340 -0.031 0.000 0.288 297 L C -0.070 176.837 176.870 0.061 0.000 1.058 297 L CA -0.400 54.454 54.840 0.023 0.000 0.809 297 L CB 0.992 43.035 42.059 -0.028 0.000 1.179 297 L HN 0.722 nan 8.230 nan 0.000 0.429 298 C N 0.762 120.110 119.300 0.080 0.000 3.236 298 C HA 1.062 5.503 4.460 -0.031 0.000 0.312 298 C C 0.290 175.347 174.990 0.111 0.000 1.374 298 C CA -0.107 58.960 59.018 0.082 0.000 1.455 298 C CB 1.115 28.892 27.740 0.063 0.000 1.834 298 C HN 1.003 nan 8.230 nan 0.000 0.460 299 G N 0.718 109.582 108.800 0.108 0.000 2.485 299 G HA2 0.592 4.534 3.960 -0.031 0.000 0.182 299 G HA3 0.592 4.534 3.960 -0.031 0.000 0.182 299 G C -2.197 172.796 174.900 0.154 0.000 1.172 299 G CA -0.466 44.722 45.100 0.146 0.000 0.996 299 G HN 0.791 nan 8.290 nan 0.000 0.496 300 K N -0.542 119.971 120.400 0.188 0.000 2.443 300 K HA 0.703 5.004 4.320 -0.031 0.000 0.251 300 K C -1.682 175.047 176.600 0.214 0.000 0.972 300 K CA -0.777 55.614 56.287 0.172 0.000 0.833 300 K CB 2.566 35.136 32.500 0.117 0.000 1.317 300 K HN 0.522 nan 8.250 nan 0.000 0.441 301 L N 0.915 122.215 121.223 0.128 0.000 2.305 301 L HA 0.451 4.772 4.340 -0.031 0.000 0.284 301 L C -0.896 175.938 176.870 -0.060 0.000 1.013 301 L CA 0.188 54.988 54.840 -0.065 0.000 0.819 301 L CB 1.621 43.588 42.059 -0.155 0.000 1.227 301 L HN 0.531 nan 8.230 nan 0.000 0.417 302 T N 4.300 118.807 114.554 -0.079 0.000 2.893 302 T HA 0.375 4.706 4.350 -0.031 0.000 0.324 302 T C 0.190 174.900 174.700 0.017 0.000 1.082 302 T CA 0.282 62.376 62.100 -0.009 0.000 0.983 302 T CB 0.326 69.204 68.868 0.017 0.000 1.005 302 T HN 0.896 nan 8.240 nan 0.000 0.475 303 H N 3.946 122.963 119.070 -0.089 0.000 1.456 303 H HA -0.284 4.254 4.556 -0.030 0.000 0.090 303 H C 0.659 175.901 175.328 -0.144 0.000 0.600 303 H CA 2.572 58.567 56.048 -0.089 0.000 1.901 303 H CB -0.986 28.740 29.762 -0.060 0.000 2.256 303 H HN 0.577 nan 8.280 nan 0.000 0.961 304 N N 0.907 119.362 118.700 -0.409 0.000 2.241 304 N HA 0.104 4.826 4.740 -0.031 0.000 0.238 304 N C -0.939 174.383 175.510 -0.314 0.000 1.244 304 N CA 0.339 53.116 53.050 -0.456 0.000 0.880 304 N CB 0.773 38.971 38.487 -0.482 0.000 1.179 304 N HN 0.502 nan 8.380 nan 0.000 0.513 305 E N 0.443 120.480 120.200 -0.271 0.000 2.224 305 E HA 0.255 4.587 4.350 -0.031 0.000 0.265 305 E C -1.252 175.212 176.600 -0.226 0.000 0.878 305 E CA -0.538 55.759 56.400 -0.172 0.000 0.759 305 E CB 1.098 30.776 29.700 -0.037 0.000 1.164 305 E HN -0.082 nan 8.360 nan 0.000 0.414 306 F N 1.639 121.614 119.950 0.042 0.000 2.375 306 F HA 0.359 4.871 4.527 -0.025 0.000 0.333 306 F C 0.529 176.352 175.800 0.038 0.000 1.104 306 F CA -0.126 57.901 58.000 0.046 0.000 1.149 306 F CB 1.959 40.995 39.000 0.060 0.000 1.190 306 F HN 0.214 nan 8.300 nan 0.000 0.533 307 T N 4.056 118.756 114.554 0.244 0.000 2.879 307 T HA 0.483 4.814 4.350 -0.031 0.000 0.290 307 T C -0.238 174.544 174.700 0.136 0.000 0.993 307 T CA -0.528 61.658 62.100 0.144 0.000 0.975 307 T CB 0.901 69.827 68.868 0.096 0.000 0.981 307 T HN 0.276 nan 8.240 nan 0.000 0.439 308 I N 3.521 124.146 120.570 0.091 0.000 2.452 308 I HA 0.151 4.303 4.170 -0.031 0.000 0.287 308 I C 1.707 177.865 176.117 0.068 0.000 1.079 308 I CA 0.063 61.407 61.300 0.072 0.000 1.387 308 I CB 1.086 39.101 38.000 0.024 0.000 1.404 308 I HN 0.832 nan 8.210 nan 0.000 0.522 309 T N 0.711 115.335 114.554 0.117 0.000 2.969 309 T HA 0.218 4.550 4.350 -0.031 0.000 0.250 309 T C 0.357 175.029 174.700 -0.046 0.000 1.021 309 T CA 0.069 62.220 62.100 0.085 0.000 1.003 309 T CB 0.071 69.057 68.868 0.196 0.000 1.040 309 T HN 0.506 nan 8.240 nan 0.000 0.492 310 H N -0.315 118.757 119.070 0.004 0.000 2.851 310 H HA 0.733 5.269 4.556 -0.033 0.000 0.372 310 H C -1.393 173.937 175.328 0.004 0.000 1.158 310 H CA -0.701 55.345 56.048 -0.003 0.000 1.159 310 H CB 2.265 32.019 29.762 -0.013 0.000 1.757 310 H HN 0.030 nan 8.280 nan 0.000 0.546 311 V N 3.878 123.860 119.914 0.113 0.000 2.448 311 V HA 0.348 4.449 4.120 -0.031 0.000 0.295 311 V C -0.152 176.021 176.094 0.130 0.000 1.025 311 V CA -0.551 61.804 62.300 0.092 0.000 0.859 311 V CB 1.254 33.117 31.823 0.067 0.000 0.988 311 V HN 0.584 nan 8.190 nan 0.000 0.431 312 I N 5.145 125.789 120.570 0.124 0.000 2.355 312 I HA 0.369 4.520 4.170 -0.031 0.000 0.288 312 I C -0.437 175.764 176.117 0.140 0.000 0.999 312 I CA -0.711 60.663 61.300 0.123 0.000 1.163 312 I CB 1.849 39.909 38.000 0.099 0.000 1.316 312 I HN 0.277 nan 8.210 nan 0.000 0.454 313 V N 9.039 129.045 119.914 0.154 0.000 2.320 313 V HA 0.261 4.363 4.120 -0.031 0.000 0.265 313 V C -1.878 174.294 176.094 0.129 0.000 1.048 313 V CA -1.471 60.937 62.300 0.180 0.000 0.865 313 V CB 0.580 32.522 31.823 0.197 0.000 1.043 313 V HN 0.566 nan 8.190 nan 0.000 0.474 314 P HA 0.253 nan 4.420 nan 0.000 0.276 314 P C -0.462 176.891 177.300 0.088 0.000 1.252 314 P CA -0.787 62.372 63.100 0.099 0.000 0.802 314 P CB 1.058 32.817 31.700 0.097 0.000 1.035 315 K N 1.096 121.538 120.400 0.071 0.000 2.511 315 K HA 0.012 4.314 4.320 -0.031 0.000 0.280 315 K C 0.650 177.290 176.600 0.067 0.000 1.008 315 K CA 0.755 57.079 56.287 0.062 0.000 1.050 315 K CB -0.079 32.452 32.500 0.051 0.000 0.889 315 K HN 0.535 nan 8.250 nan 0.000 0.484 316 Q N -0.215 119.625 119.800 0.067 0.000 2.522 316 Q HA 0.327 4.648 4.340 -0.031 0.000 0.285 316 Q C -1.402 174.639 176.000 0.068 0.000 0.982 316 Q CA -1.084 54.766 55.803 0.077 0.000 0.805 316 Q CB 1.351 30.150 28.738 0.102 0.000 1.457 316 Q HN 0.535 nan 8.270 nan 0.000 0.394 317 S N -0.023 115.723 115.700 0.077 0.000 2.525 317 S HA 0.754 5.206 4.470 -0.031 0.000 0.278 317 S C -0.237 174.396 174.600 0.055 0.000 1.234 317 S CA -0.297 57.938 58.200 0.058 0.000 1.058 317 S CB 1.432 64.666 63.200 0.056 0.000 0.983 317 S HN 0.810 nan 8.310 nan 0.000 0.495 318 A N 2.987 125.821 122.820 0.025 0.000 2.654 318 A HA 0.718 5.020 4.320 -0.031 0.000 0.345 318 A C 0.556 178.124 177.584 -0.026 0.000 1.368 318 A CA -0.475 51.573 52.037 0.018 0.000 0.895 318 A CB -0.392 18.621 19.000 0.021 0.000 1.143 318 A HN 1.129 nan 8.150 nan 0.000 0.490 319 G N 1.110 109.860 108.800 -0.083 0.000 2.705 319 G HA2 0.620 4.561 3.960 -0.031 0.000 0.299 319 G HA3 0.620 4.561 3.960 -0.031 0.000 0.299 319 G C -1.224 173.594 174.900 -0.136 0.000 1.315 319 G CA -1.300 43.709 45.100 -0.151 0.000 1.045 319 G HN 0.282 nan 8.290 nan 0.000 0.517 320 P HA 0.016 nan 4.420 nan 0.000 0.223 320 P C 0.194 177.449 177.300 -0.075 0.000 1.151 320 P CA 1.103 64.151 63.100 -0.085 0.000 0.787 320 P CB 0.531 32.187 31.700 -0.074 0.000 0.788 321 D N -1.979 118.346 120.400 -0.124 0.000 2.470 321 D HA 0.098 4.720 4.640 -0.031 0.000 0.238 321 D C 0.493 176.897 176.300 0.174 0.000 1.054 321 D CA 0.625 54.645 54.000 0.034 0.000 0.896 321 D CB 0.509 41.444 40.800 0.226 0.000 1.118 321 D HN 0.300 nan 8.370 nan 0.000 0.497 322 Y N -0.582 119.801 120.300 0.137 0.000 2.689 322 Y HA 0.485 5.006 4.550 -0.049 0.000 0.333 322 Y C -0.651 175.308 175.900 0.098 0.000 1.208 322 Y CA -2.215 55.955 58.100 0.117 0.000 1.055 322 Y CB 0.523 39.042 38.460 0.098 0.000 1.304 322 Y HN -0.046 nan 8.280 nan 0.000 0.455 323 C N 0.054 119.553 119.300 0.333 0.000 2.365 323 C HA 0.869 5.310 4.460 -0.031 0.000 0.349 323 C C -0.814 174.370 174.990 0.324 0.000 1.191 323 C CA -0.328 58.850 59.018 0.266 0.000 2.114 323 C CB 1.083 28.953 27.740 0.217 0.000 2.367 323 C HN 0.834 nan 8.230 nan 0.000 0.530 324 D N 1.568 122.112 120.400 0.241 0.000 2.763 324 D HA 0.301 4.922 4.640 -0.031 0.000 0.235 324 D C -0.700 175.662 176.300 0.104 0.000 1.334 324 D CA -0.187 53.917 54.000 0.174 0.000 0.950 324 D CB 1.599 42.563 40.800 0.274 0.000 1.433 324 D HN 0.883 nan 8.370 nan 0.000 0.580 325 M N 3.143 122.779 119.600 0.060 0.000 2.238 325 M HA 0.141 4.602 4.480 -0.031 0.000 0.350 325 M C 0.727 177.053 176.300 0.044 0.000 1.321 325 M CA 0.483 55.816 55.300 0.056 0.000 1.097 325 M CB 0.716 33.343 32.600 0.046 0.000 1.713 325 M HN 0.366 nan 8.290 nan 0.000 0.455 326 E N 2.813 123.043 120.200 0.049 0.000 2.216 326 E HA -0.016 4.315 4.350 -0.031 0.000 0.192 326 E C 0.047 176.663 176.600 0.027 0.000 0.988 326 E CA 0.448 56.872 56.400 0.040 0.000 0.834 326 E CB 0.191 29.916 29.700 0.042 0.000 0.772 326 E HN 0.743 nan 8.360 nan 0.000 0.479 327 N N -1.057 117.660 118.700 0.028 0.000 3.997 327 N HA -0.066 4.655 4.740 -0.031 0.000 0.209 327 N C -0.169 175.363 175.510 0.036 0.000 1.108 327 N CA 0.119 53.183 53.050 0.022 0.000 1.020 327 N CB 1.469 39.970 38.487 0.024 0.000 1.628 327 N HN -0.100 nan 8.380 nan 0.000 0.588 328 V N -0.140 119.793 119.914 0.031 0.000 3.621 328 V HA 0.306 4.408 4.120 -0.031 0.000 0.285 328 V C 1.611 177.766 176.094 0.103 0.000 1.346 328 V CA 0.673 63.008 62.300 0.058 0.000 1.104 328 V CB -0.133 31.709 31.823 0.032 0.000 0.913 328 V HN 0.620 nan 8.190 nan 0.000 0.432 329 E N 1.391 121.641 120.200 0.083 0.000 2.038 329 E HA -0.259 4.072 4.350 -0.031 0.000 0.195 329 E C 2.076 178.777 176.600 0.169 0.000 1.000 329 E CA 1.896 58.370 56.400 0.123 0.000 0.803 329 E CB -0.085 29.659 29.700 0.074 0.000 0.750 329 E HN 0.812 nan 8.360 nan 0.000 0.448 330 E N 0.620 120.887 120.200 0.112 0.000 2.072 330 E HA -0.208 4.123 4.350 -0.031 0.000 0.191 330 E C 2.166 178.822 176.600 0.093 0.000 0.985 330 E CA 0.621 57.077 56.400 0.093 0.000 0.801 330 E CB 0.003 29.746 29.700 0.071 0.000 0.750 330 E HN 0.095 nan 8.360 nan 0.000 0.452 331 L N 0.616 121.903 121.223 0.107 0.000 2.012 331 L HA -0.169 4.153 4.340 -0.031 0.000 0.210 331 L C 2.130 179.060 176.870 0.101 0.000 1.073 331 L CA 1.902 56.803 54.840 0.101 0.000 0.748 331 L CB -0.862 41.264 42.059 0.113 0.000 0.891 331 L HN 0.288 nan 8.230 nan 0.000 0.431 332 F N 0.350 120.314 119.950 0.023 0.000 2.095 332 F HA -0.272 4.233 4.527 -0.037 0.000 0.298 332 F C 2.281 178.089 175.800 0.014 0.000 1.104 332 F CA 1.974 59.981 58.000 0.013 0.000 1.232 332 F CB -0.401 38.601 39.000 0.002 0.000 0.987 332 F HN 0.231 nan 8.300 nan 0.000 0.475 333 N N 0.640 119.254 118.700 -0.143 0.000 2.104 333 N HA -0.172 4.550 4.740 -0.031 0.000 0.190 333 N C 2.001 177.374 175.510 -0.229 0.000 1.024 333 N CA 1.784 54.694 53.050 -0.234 0.000 0.853 333 N CB -0.716 37.765 38.487 -0.009 0.000 1.008 333 N HN 0.280 nan 8.380 nan 0.000 0.424 334 V N 1.586 121.441 119.914 -0.097 0.000 2.307 334 V HA -0.197 3.905 4.120 -0.031 0.000 0.245 334 V C 2.336 178.414 176.094 -0.027 0.000 1.045 334 V CA 1.510 63.814 62.300 0.007 0.000 1.024 334 V CB -0.553 31.303 31.823 0.056 0.000 0.651 334 V HN 0.325 nan 8.190 nan 0.000 0.449 335 Q N -0.396 119.336 119.800 -0.113 0.000 2.124 335 Q HA -0.256 4.066 4.340 -0.031 0.000 0.202 335 Q C 2.077 177.952 176.000 -0.208 0.000 0.977 335 Q CA 1.879 57.609 55.803 -0.122 0.000 0.850 335 Q CB -0.264 28.430 28.738 -0.074 0.000 0.901 335 Q HN 0.691 nan 8.270 nan 0.000 0.429 336 D N 0.635 120.772 120.400 -0.438 0.000 2.097 336 D HA -0.219 4.402 4.640 -0.031 0.000 0.195 336 D C 1.954 178.076 176.300 -0.295 0.000 0.989 336 D CA 1.354 55.073 54.000 -0.469 0.000 0.827 336 D CB 0.015 40.268 40.800 -0.912 0.000 0.966 336 D HN 0.186 nan 8.370 nan 0.000 0.456 337 Q N -1.094 118.516 119.800 -0.316 0.000 2.084 337 Q HA -0.195 4.126 4.340 -0.031 0.000 0.202 337 Q C 1.125 176.873 176.000 -0.420 0.000 0.978 337 Q CA 1.511 57.094 55.803 -0.366 0.000 0.844 337 Q CB -0.106 28.361 28.738 -0.452 0.000 0.898 337 Q HN 0.512 nan 8.270 nan 0.000 0.426 338 H N -0.468 118.522 119.070 -0.132 0.000 2.529 338 H HA 0.122 4.659 4.556 -0.032 0.000 0.277 338 H C -0.532 174.735 175.328 -0.102 0.000 1.004 338 H CA 0.374 56.351 56.048 -0.118 0.000 1.167 338 H CB 0.532 30.186 29.762 -0.180 0.000 1.445 338 H HN 0.328 nan 8.280 nan 0.000 0.554 339 D N 0.838 121.218 120.400 -0.033 0.000 2.697 339 D HA -0.181 4.441 4.640 -0.031 0.000 0.238 339 D C -1.046 175.257 176.300 0.005 0.000 1.152 339 D CA 0.277 54.267 54.000 -0.017 0.000 0.666 339 D CB -1.200 39.601 40.800 0.001 0.000 1.037 339 D HN 0.390 nan 8.370 nan 0.000 0.423 340 L N 0.916 122.128 121.223 -0.018 0.000 2.264 340 L HA 0.421 4.742 4.340 -0.031 0.000 0.289 340 L C 0.800 177.685 176.870 0.025 0.000 1.044 340 L CA -0.952 53.882 54.840 -0.011 0.000 0.807 340 L CB 1.156 43.162 42.059 -0.089 0.000 1.192 340 L HN 0.040 nan 8.230 nan 0.000 0.425 341 L N 2.757 124.019 121.223 0.065 0.000 2.371 341 L HA 0.250 4.571 4.340 -0.031 0.000 0.272 341 L C 0.513 177.420 176.870 0.061 0.000 1.124 341 L CA -0.224 54.662 54.840 0.078 0.000 0.816 341 L CB 1.023 43.161 42.059 0.132 0.000 1.129 341 L HN 0.559 nan 8.230 nan 0.000 0.448 342 T N 4.617 119.207 114.554 0.061 0.000 2.779 342 T HA 0.250 4.581 4.350 -0.031 0.000 0.296 342 T C 1.057 175.787 174.700 0.050 0.000 0.938 342 T CA -0.083 62.072 62.100 0.092 0.000 1.119 342 T CB 0.406 69.359 68.868 0.143 0.000 0.891 342 T HN 0.422 nan 8.240 nan 0.000 0.526 343 L N 2.482 123.729 121.223 0.040 0.000 2.766 343 L HA 0.466 4.787 4.340 -0.031 0.000 0.242 343 L C 1.315 178.217 176.870 0.053 0.000 1.136 343 L CA -0.368 54.443 54.840 -0.048 0.000 0.933 343 L CB 0.001 42.002 42.059 -0.096 0.000 1.241 343 L HN 0.904 nan 8.230 nan 0.000 0.522 344 G N -0.374 108.512 108.800 0.142 0.000 2.302 344 G HA2 0.084 4.025 3.960 -0.031 0.000 0.264 344 G HA3 0.084 4.025 3.960 -0.031 0.000 0.264 344 G C -2.433 172.531 174.900 0.107 0.000 1.335 344 G CA -0.245 44.955 45.100 0.168 0.000 0.982 344 G HN 0.046 nan 8.290 nan 0.000 0.473 345 W N -1.053 120.079 121.300 -0.280 0.000 3.005 345 W HA 0.806 5.485 4.660 0.031 0.000 0.343 345 W C -1.928 174.431 176.519 -0.267 0.000 1.243 345 W CA -1.530 55.635 57.345 -0.301 0.000 1.186 345 W CB 0.795 29.995 29.460 -0.434 0.000 1.453 345 W HN 1.003 nan 8.180 nan 0.000 0.575 346 I N 2.808 123.205 120.570 -0.290 0.000 2.686 346 I HA 0.578 4.730 4.170 -0.031 0.000 0.295 346 I C -0.974 174.944 176.117 -0.333 0.000 1.114 346 I CA -0.522 60.439 61.300 -0.564 0.000 1.038 346 I CB 1.941 39.478 38.000 -0.772 0.000 1.238 346 I HN 0.628 nan 8.210 nan 0.000 0.420 347 H N 2.915 121.730 119.070 -0.424 0.000 2.990 347 H HA 0.446 5.004 4.556 0.003 0.000 0.336 347 H C -1.789 173.575 175.328 0.061 0.000 1.306 347 H CA -0.629 55.411 56.048 -0.014 0.000 1.118 347 H CB 1.456 31.311 29.762 0.154 0.000 1.856 347 H HN 0.524 nan 8.280 nan 0.000 0.538 348 T N -1.021 113.626 114.554 0.154 0.000 2.907 348 T HA 0.318 4.650 4.350 -0.031 0.000 0.284 348 T C -0.275 174.489 174.700 0.106 0.000 1.004 348 T CA -0.720 61.403 62.100 0.037 0.000 1.063 348 T CB 0.900 69.849 68.868 0.135 0.000 0.992 348 T HN 0.687 nan 8.240 nan 0.000 0.483 349 H N 2.881 121.877 119.070 -0.124 0.000 2.643 349 H HA 0.231 4.763 4.556 -0.040 0.000 0.259 349 H C -1.693 173.650 175.328 0.026 0.000 1.298 349 H CA -2.428 53.612 56.048 -0.014 0.000 1.301 349 H CB 1.120 30.875 29.762 -0.012 0.000 1.422 349 H HN 0.531 nan 8.280 nan 0.000 0.521 350 P HA -0.142 nan 4.420 nan 0.000 0.220 350 P C 1.402 178.722 177.300 0.034 0.000 1.148 350 P CA 1.373 64.507 63.100 0.058 0.000 0.803 350 P CB 0.320 32.042 31.700 0.038 0.000 0.782 351 T N -7.146 107.442 114.554 0.056 0.000 3.016 351 T HA 0.254 4.585 4.350 -0.031 0.000 0.271 351 T C 0.580 175.340 174.700 0.101 0.000 0.968 351 T CA -0.268 61.852 62.100 0.033 0.000 0.891 351 T CB -0.072 68.810 68.868 0.024 0.000 1.149 351 T HN -0.013 nan 8.240 nan 0.000 0.524 352 Q N 2.384 122.295 119.800 0.185 0.000 2.195 352 Q HA 0.610 4.932 4.340 -0.031 0.000 0.250 352 Q C 0.340 176.617 176.000 0.462 0.000 0.988 352 Q CA -0.659 55.324 55.803 0.300 0.000 0.911 352 Q CB 0.920 29.823 28.738 0.275 0.000 1.258 352 Q HN 0.408 nan 8.270 nan 0.000 0.475 353 T N -2.045 112.783 114.554 0.456 0.000 2.726 353 T HA 0.555 4.887 4.350 -0.031 0.000 0.294 353 T C -0.060 175.017 174.700 0.629 0.000 1.013 353 T CA -0.635 61.709 62.100 0.406 0.000 0.996 353 T CB 0.437 69.396 68.868 0.153 0.000 1.016 353 T HN 0.609 nan 8.240 nan 0.000 0.529 354 A N 1.880 124.973 122.820 0.455 0.000 2.269 354 A HA 0.686 4.987 4.320 -0.031 0.000 0.302 354 A C -0.314 177.632 177.584 0.603 0.000 1.266 354 A CA -0.980 51.290 52.037 0.389 0.000 0.894 354 A CB -0.759 18.374 19.000 0.222 0.000 1.147 354 A HN 1.028 nan 8.150 nan 0.000 0.537 355 F N 0.158 120.181 119.950 0.121 0.000 2.817 355 F HA 0.635 5.152 4.527 -0.017 0.000 0.317 355 F C -1.758 173.722 175.800 -0.534 0.000 1.168 355 F CA -1.432 56.393 58.000 -0.291 0.000 0.911 355 F CB 1.134 40.152 39.000 0.031 0.000 1.337 355 F HN 0.253 nan 8.300 nan 0.000 0.464 356 L N 3.255 123.669 121.223 -1.350 0.000 2.255 356 L HA 0.448 4.769 4.340 -0.031 0.000 0.289 356 L C 0.430 177.069 176.870 -0.385 0.000 1.046 356 L CA -0.701 53.634 54.840 -0.842 0.000 0.816 356 L CB 1.398 42.938 42.059 -0.865 0.000 1.197 356 L HN 0.906 nan 8.230 nan 0.000 0.427 357 S N 1.230 116.741 115.700 -0.315 0.000 2.626 357 S HA 0.027 4.479 4.470 -0.031 0.000 0.257 357 S C 1.367 176.034 174.600 0.111 0.000 1.288 357 S CA 0.083 58.314 58.200 0.052 0.000 0.980 357 S CB 1.330 64.542 63.200 0.019 0.000 0.975 357 S HN 0.603 nan 8.310 nan 0.000 0.577 358 S N -0.343 115.456 115.700 0.165 0.000 2.368 358 S HA -0.114 4.337 4.470 -0.031 0.000 0.225 358 S C 1.765 176.452 174.600 0.145 0.000 1.030 358 S CA 1.380 59.672 58.200 0.154 0.000 0.999 358 S CB -0.973 62.248 63.200 0.035 0.000 0.844 358 S HN 0.567 nan 8.310 nan 0.000 0.459 359 V N 2.322 122.281 119.914 0.076 0.000 2.287 359 V HA -0.173 3.928 4.120 -0.031 0.000 0.248 359 V C 2.279 178.414 176.094 0.069 0.000 1.053 359 V CA 2.311 64.625 62.300 0.023 0.000 1.027 359 V CB -0.769 31.067 31.823 0.022 0.000 0.646 359 V HN 0.507 nan 8.190 nan 0.000 0.447 360 D N -0.115 120.353 120.400 0.113 0.000 2.149 360 D HA -0.071 4.551 4.640 -0.031 0.000 0.201 360 D C 2.153 178.605 176.300 0.252 0.000 0.972 360 D CA 0.946 55.089 54.000 0.238 0.000 0.835 360 D CB -0.247 40.660 40.800 0.179 0.000 0.966 360 D HN 0.345 nan 8.370 nan 0.000 0.476 361 L N 0.398 121.697 121.223 0.126 0.000 2.046 361 L HA -0.175 4.147 4.340 -0.031 0.000 0.208 361 L C 2.537 179.428 176.870 0.035 0.000 1.077 361 L CA 1.118 56.002 54.840 0.073 0.000 0.747 361 L CB -0.471 41.566 42.059 -0.037 0.000 0.896 361 L HN 0.184 nan 8.230 nan 0.000 0.432 362 H N -0.730 118.344 119.070 0.007 0.000 2.387 362 H HA -0.123 4.412 4.556 -0.034 0.000 0.299 362 H C 2.309 177.617 175.328 -0.032 0.000 1.090 362 H CA 1.919 57.957 56.048 -0.016 0.000 1.332 362 H CB 0.040 29.791 29.762 -0.018 0.000 1.386 362 H HN 0.335 nan 8.280 nan 0.000 0.516 363 T N -0.525 114.060 114.554 0.052 0.000 2.701 363 T HA -0.166 4.166 4.350 -0.031 0.000 0.263 363 T C 1.905 176.642 174.700 0.062 0.000 1.040 363 T CA 1.563 63.590 62.100 -0.121 0.000 1.147 363 T CB -0.372 68.148 68.868 -0.581 0.000 0.865 363 T HN 0.454 nan 8.240 nan 0.000 0.426 364 H N -0.128 119.040 119.070 0.163 0.000 2.423 364 H HA 0.015 4.547 4.556 -0.039 0.000 0.297 364 H C 2.451 177.926 175.328 0.246 0.000 1.075 364 H CA 0.960 57.226 56.048 0.363 0.000 1.342 364 H CB -0.807 29.236 29.762 0.469 0.000 1.395 364 H HN 0.411 nan 8.280 nan 0.000 0.530 365 C N -0.395 118.946 119.300 0.069 0.000 2.401 365 C HA -0.175 4.267 4.460 -0.031 0.000 0.276 365 C C 2.921 177.861 174.990 -0.084 0.000 1.233 365 C CA 1.794 60.792 59.018 -0.034 0.000 1.753 365 C CB -1.246 26.450 27.740 -0.074 0.000 2.029 365 C HN 0.644 nan 8.230 nan 0.000 0.478 366 S N -0.962 114.692 115.700 -0.077 0.000 2.383 366 S HA -0.079 4.372 4.470 -0.031 0.000 0.227 366 S C 1.419 175.892 174.600 -0.212 0.000 1.026 366 S CA 1.502 59.612 58.200 -0.150 0.000 0.981 366 S CB -0.534 62.551 63.200 -0.191 0.000 0.818 366 S HN 0.798 nan 8.310 nan 0.000 0.472 367 Y N 1.735 121.897 120.300 -0.231 0.000 2.181 367 Y HA -0.169 4.345 4.550 -0.059 0.000 0.288 367 Y C 2.791 178.547 175.900 -0.240 0.000 1.146 367 Y CA 1.550 59.518 58.100 -0.219 0.000 1.164 367 Y CB -0.287 38.065 38.460 -0.182 0.000 0.982 367 Y HN 0.267 nan 8.280 nan 0.000 0.515 368 Q N 0.105 119.777 119.800 -0.213 0.000 2.230 368 Q HA -0.130 4.191 4.340 -0.031 0.000 0.202 368 Q C 2.032 177.988 176.000 -0.073 0.000 0.963 368 Q CA 0.832 56.550 55.803 -0.143 0.000 0.866 368 Q CB -0.128 28.519 28.738 -0.153 0.000 0.931 368 Q HN 0.528 nan 8.270 nan 0.000 0.452 369 L N -0.200 120.972 121.223 -0.085 0.000 2.093 369 L HA -0.175 4.146 4.340 -0.031 0.000 0.208 369 L C 2.383 179.216 176.870 -0.062 0.000 1.085 369 L CA 1.017 55.818 54.840 -0.065 0.000 0.755 369 L CB -0.176 41.839 42.059 -0.074 0.000 0.904 369 L HN 0.383 nan 8.230 nan 0.000 0.435 370 M N -1.306 118.244 119.600 -0.084 0.000 2.288 370 M HA -0.024 4.437 4.480 -0.031 0.000 0.266 370 M C -0.112 176.165 176.300 -0.040 0.000 1.072 370 M CA 0.931 56.188 55.300 -0.073 0.000 1.132 370 M CB 0.341 32.872 32.600 -0.115 0.000 1.386 370 M HN 0.074 nan 8.290 nan 0.000 0.432 371 L N -0.247 120.953 121.223 -0.037 0.000 2.555 371 L HA 0.370 4.692 4.340 -0.031 0.000 0.264 371 L C -2.384 174.475 176.870 -0.020 0.000 0.972 371 L CA -1.569 53.254 54.840 -0.028 0.000 0.876 371 L CB 1.526 43.542 42.059 -0.071 0.000 1.216 371 L HN -0.228 nan 8.230 nan 0.000 0.415 372 P HA -0.143 nan 4.420 nan 0.000 0.217 372 P C 0.424 177.711 177.300 -0.021 0.000 1.148 372 P CA 1.265 64.359 63.100 -0.010 0.000 0.828 372 P CB 0.411 32.106 31.700 -0.009 0.000 0.783 373 E N -0.903 119.288 120.200 -0.015 0.000 2.511 373 E HA 0.138 4.470 4.350 -0.031 0.000 0.196 373 E C 0.746 177.454 176.600 0.180 0.000 1.066 373 E CA -0.075 56.345 56.400 0.033 0.000 0.871 373 E CB -0.575 29.180 29.700 0.091 0.000 0.863 373 E HN 0.179 nan 8.360 nan 0.000 0.520 374 A N 1.469 124.356 122.820 0.110 0.000 2.498 374 A HA 0.363 4.665 4.320 -0.031 0.000 0.239 374 A C 0.363 178.178 177.584 0.386 0.000 1.068 374 A CA -0.157 51.994 52.037 0.190 0.000 0.766 374 A CB -0.276 18.830 19.000 0.176 0.000 1.003 374 A HN 0.371 nan 8.150 nan 0.000 0.497 375 I N -1.225 119.515 120.570 0.283 0.000 2.740 375 I HA 0.825 4.976 4.170 -0.031 0.000 0.303 375 I C -0.111 175.870 176.117 -0.227 0.000 1.044 375 I CA -1.086 60.253 61.300 0.065 0.000 1.064 375 I CB 2.475 40.436 38.000 -0.064 0.000 1.249 375 I HN 0.592 nan 8.210 nan 0.000 0.433 376 A N 6.584 129.020 122.820 -0.640 0.000 2.285 376 A HA 0.726 5.027 4.320 -0.031 0.000 0.310 376 A C -0.565 176.598 177.584 -0.702 0.000 1.266 376 A CA -0.534 50.940 52.037 -0.938 0.000 0.832 376 A CB 0.352 18.709 19.000 -1.072 0.000 1.163 376 A HN 0.694 nan 8.150 nan 0.000 0.499 377 I N 2.881 123.027 120.570 -0.707 0.000 2.342 377 I HA 0.339 4.490 4.170 -0.031 0.000 0.291 377 I C -0.621 175.108 176.117 -0.646 0.000 1.010 377 I CA -0.596 60.346 61.300 -0.596 0.000 1.308 377 I CB 1.667 39.384 38.000 -0.470 0.000 1.400 377 I HN 0.269 nan 8.210 nan 0.000 0.488 378 V N 6.008 125.551 119.914 -0.617 0.000 2.407 378 V HA 0.246 4.348 4.120 -0.031 0.000 0.291 378 V C -0.313 175.506 176.094 -0.457 0.000 1.018 378 V CA -0.573 61.327 62.300 -0.667 0.000 0.842 378 V CB 1.495 32.933 31.823 -0.643 0.000 0.996 378 V HN 0.811 nan 8.190 nan 0.000 0.426 379 C N 3.431 122.517 119.300 -0.356 0.000 2.285 379 C HA 0.511 4.952 4.460 -0.031 0.000 0.335 379 C C 1.007 175.942 174.990 -0.092 0.000 1.267 379 C CA -0.383 58.539 59.018 -0.160 0.000 1.762 379 C CB 0.270 27.988 27.740 -0.038 0.000 2.365 379 C HN 0.839 nan 8.230 nan 0.000 0.527 380 S N 4.872 120.560 115.700 -0.021 0.000 2.252 380 S HA 0.221 4.672 4.470 -0.031 0.000 0.180 380 S C -1.439 173.191 174.600 0.051 0.000 1.534 380 S CA -0.542 57.704 58.200 0.077 0.000 1.141 380 S CB 0.588 63.906 63.200 0.198 0.000 1.122 380 S HN 0.689 nan 8.310 nan 0.000 0.475 381 P HA -0.136 nan 4.420 nan 0.000 0.220 381 P C 1.273 178.537 177.300 -0.060 0.000 1.148 381 P CA 0.818 63.910 63.100 -0.014 0.000 0.803 381 P CB 0.299 31.989 31.700 -0.018 0.000 0.782 382 K N -0.531 119.784 120.400 -0.143 0.000 2.211 382 K HA -0.162 4.139 4.320 -0.031 0.000 0.204 382 K C 1.277 177.634 176.600 -0.405 0.000 1.047 382 K CA 1.129 57.231 56.287 -0.309 0.000 0.935 382 K CB -0.150 32.084 32.500 -0.443 0.000 0.728 382 K HN 0.271 nan 8.250 nan 0.000 0.452 383 H N 0.034 119.127 119.070 0.038 0.000 2.592 383 H HA 0.178 4.714 4.556 -0.032 0.000 0.279 383 H C -0.282 175.060 175.328 0.024 0.000 1.089 383 H CA -0.025 56.044 56.048 0.035 0.000 1.150 383 H CB 0.570 30.362 29.762 0.051 0.000 1.575 383 H HN 0.101 nan 8.280 nan 0.000 0.547 384 K N 1.652 122.096 120.400 0.073 0.000 3.078 384 K HA -0.162 4.139 4.320 -0.031 0.000 0.261 384 K C -0.851 175.779 176.600 0.051 0.000 0.947 384 K CA 0.685 57.000 56.287 0.047 0.000 0.702 384 K CB -0.843 31.678 32.500 0.035 0.000 1.318 384 K HN 0.316 nan 8.250 nan 0.000 0.473 385 D N 0.304 120.746 120.400 0.070 0.000 2.185 385 D HA 0.295 4.917 4.640 -0.031 0.000 0.247 385 D C -0.281 176.007 176.300 -0.019 0.000 1.027 385 D CA -0.075 53.953 54.000 0.046 0.000 0.861 385 D CB 1.672 42.535 40.800 0.104 0.000 1.202 385 D HN -0.059 nan 8.370 nan 0.000 0.453 386 T N 0.779 115.288 114.554 -0.075 0.000 2.864 386 T HA 0.566 4.897 4.350 -0.031 0.000 0.299 386 T C 0.243 174.773 174.700 -0.284 0.000 1.011 386 T CA -0.872 61.127 62.100 -0.168 0.000 0.975 386 T CB 1.361 70.138 68.868 -0.152 0.000 0.962 386 T HN 0.330 nan 8.240 nan 0.000 0.448 387 G N 2.553 111.080 108.800 -0.455 0.000 2.353 387 G HA2 0.626 4.568 3.960 -0.031 0.000 0.284 387 G HA3 0.626 4.568 3.960 -0.031 0.000 0.284 387 G C -0.423 173.768 174.900 -1.182 0.000 1.172 387 G CA -0.550 43.941 45.100 -1.014 0.000 0.854 387 G HN 0.773 nan 8.290 nan 0.000 0.485 388 I N 2.465 122.420 120.570 -1.025 0.000 2.390 388 I HA 0.343 4.495 4.170 -0.031 0.000 0.283 388 I C -0.965 174.859 176.117 -0.489 0.000 1.016 388 I CA -0.418 60.494 61.300 -0.647 0.000 1.151 388 I CB 0.983 38.765 38.000 -0.364 0.000 1.293 388 I HN 0.184 nan 8.210 nan 0.000 0.458 389 F N 5.156 125.001 119.950 -0.175 0.000 2.579 389 F HA 0.738 5.243 4.527 -0.037 0.000 0.324 389 F C 0.293 176.027 175.800 -0.110 0.000 1.058 389 F CA -0.998 56.950 58.000 -0.085 0.000 0.944 389 F CB 1.691 40.620 39.000 -0.117 0.000 1.245 389 F HN 0.377 nan 8.300 nan 0.000 0.477 390 R N 0.532 121.206 120.500 0.291 0.000 2.739 390 R HA 0.767 5.088 4.340 -0.031 0.000 0.271 390 R C -2.122 174.362 176.300 0.306 0.000 1.010 390 R CA -1.048 55.217 56.100 0.275 0.000 0.897 390 R CB 1.275 31.752 30.300 0.294 0.000 1.236 390 R HN 0.442 nan 8.270 nan 0.000 0.466 391 L N 1.621 123.039 121.223 0.325 0.000 2.417 391 L HA 0.253 4.574 4.340 -0.031 0.000 0.268 391 L C 0.888 177.852 176.870 0.158 0.000 1.158 391 L CA 0.407 55.390 54.840 0.239 0.000 0.819 391 L CB 1.325 43.500 42.059 0.195 0.000 1.112 391 L HN 0.918 nan 8.230 nan 0.000 0.458 392 T N -1.290 113.332 114.554 0.114 0.000 2.732 392 T HA 0.176 4.508 4.350 -0.031 0.000 0.287 392 T C 1.110 175.840 174.700 0.050 0.000 0.993 392 T CA -0.200 61.938 62.100 0.065 0.000 0.966 392 T CB 0.212 69.098 68.868 0.029 0.000 1.047 392 T HN 0.575 nan 8.240 nan 0.000 0.527 393 N N 0.438 119.157 118.700 0.032 0.000 2.061 393 N HA -0.138 4.584 4.740 -0.031 0.000 0.193 393 N C 2.266 177.789 175.510 0.021 0.000 1.030 393 N CA 1.433 54.497 53.050 0.023 0.000 0.856 393 N CB -0.474 38.023 38.487 0.016 0.000 1.023 393 N HN 0.759 nan 8.380 nan 0.000 0.424 394 A N 0.554 123.387 122.820 0.022 0.000 1.908 394 A HA -0.068 4.234 4.320 -0.031 0.000 0.218 394 A C 2.355 179.956 177.584 0.029 0.000 1.181 394 A CA 1.912 53.963 52.037 0.024 0.000 0.627 394 A CB -1.325 17.688 19.000 0.022 0.000 0.818 394 A HN 0.423 nan 8.150 nan 0.000 0.445 395 G N -0.881 107.941 108.800 0.036 0.000 2.421 395 G HA2 -0.207 3.735 3.960 -0.031 0.000 0.216 395 G HA3 -0.207 3.735 3.960 -0.031 0.000 0.216 395 G C 1.523 176.423 174.900 -0.001 0.000 1.171 395 G CA 1.268 46.387 45.100 0.032 0.000 0.775 395 G HN 0.334 nan 8.290 nan 0.000 0.543 396 M N -0.102 119.506 119.600 0.013 0.000 2.108 396 M HA 0.013 4.475 4.480 -0.031 0.000 0.261 396 M C 2.494 178.785 176.300 -0.015 0.000 1.066 396 M CA 0.845 56.143 55.300 -0.004 0.000 1.107 396 M CB -1.128 31.477 32.600 0.007 0.000 1.356 396 M HN 0.273 nan 8.290 nan 0.000 0.406 397 L N 0.475 121.697 121.223 -0.000 0.000 2.056 397 L HA -0.143 4.178 4.340 -0.031 0.000 0.207 397 L C 2.345 179.221 176.870 0.011 0.000 1.078 397 L CA 1.952 56.795 54.840 0.005 0.000 0.749 397 L CB -0.744 41.324 42.059 0.014 0.000 0.901 397 L HN 0.386 nan 8.230 nan 0.000 0.433 398 E N -1.320 118.890 120.200 0.017 0.000 2.076 398 E HA -0.129 4.202 4.350 -0.031 0.000 0.190 398 E C 1.993 178.604 176.600 0.019 0.000 0.979 398 E CA 1.242 57.677 56.400 0.058 0.000 0.807 398 E CB 0.095 29.861 29.700 0.110 0.000 0.761 398 E HN 0.349 nan 8.360 nan 0.000 0.454 399 V N 1.314 121.145 119.914 -0.139 0.000 2.488 399 V HA -0.203 3.899 4.120 -0.031 0.000 0.246 399 V C 2.528 178.500 176.094 -0.203 0.000 1.046 399 V CA 1.684 63.784 62.300 -0.334 0.000 1.053 399 V CB -0.353 31.189 31.823 -0.468 0.000 0.679 399 V HN 0.399 nan 8.190 nan 0.000 0.458 400 S N 1.377 117.013 115.700 -0.107 0.000 2.419 400 S HA -0.089 4.362 4.470 -0.031 0.000 0.233 400 S C 1.865 176.454 174.600 -0.018 0.000 1.016 400 S CA 1.278 59.442 58.200 -0.061 0.000 0.974 400 S CB -0.377 62.797 63.200 -0.043 0.000 0.786 400 S HN 0.571 nan 8.310 nan 0.000 0.492 401 A N -0.180 122.642 122.820 0.004 0.000 2.238 401 A HA 0.320 4.621 4.320 -0.031 0.000 0.210 401 A C 1.072 178.693 177.584 0.062 0.000 1.179 401 A CA 0.122 52.176 52.037 0.029 0.000 0.827 401 A CB -0.807 18.211 19.000 0.030 0.000 0.856 401 A HN 0.644 nan 8.150 nan 0.000 0.488 402 C N 0.914 120.278 119.300 0.106 0.000 2.576 402 C HA 0.444 4.885 4.460 -0.031 0.000 0.401 402 C C 1.160 176.256 174.990 0.175 0.000 1.314 402 C CA -0.238 58.893 59.018 0.189 0.000 1.855 402 C CB -0.594 27.400 27.740 0.423 0.000 2.537 402 C HN 0.545 nan 8.230 nan 0.000 0.578 403 K N 3.006 123.444 120.400 0.064 0.000 2.373 403 K HA 0.134 4.435 4.320 -0.031 0.000 0.202 403 K C 0.289 176.854 176.600 -0.058 0.000 1.025 403 K CA 0.027 56.323 56.287 0.015 0.000 1.115 403 K CB 0.284 32.779 32.500 -0.007 0.000 0.858 403 K HN 0.613 nan 8.250 nan 0.000 0.525 404 K N 1.242 121.554 120.400 -0.146 0.000 2.322 404 K HA 0.094 4.396 4.320 -0.031 0.000 0.283 404 K C 0.472 176.929 176.600 -0.237 0.000 1.042 404 K CA 0.172 56.278 56.287 -0.302 0.000 0.958 404 K CB 0.997 33.044 32.500 -0.755 0.000 0.984 404 K HN -0.001 nan 8.250 nan 0.000 0.473 405 K N 1.086 121.392 120.400 -0.157 0.000 2.244 405 K HA 0.032 4.333 4.320 -0.031 0.000 0.200 405 K C 1.198 177.713 176.600 -0.143 0.000 1.052 405 K CA 0.244 56.446 56.287 -0.142 0.000 0.980 405 K CB 0.302 32.736 32.500 -0.111 0.000 0.838 405 K HN 0.724 nan 8.250 nan 0.000 0.481 406 G N 0.561 109.315 108.800 -0.077 0.000 2.563 406 G HA2 0.268 4.210 3.960 -0.031 0.000 0.283 406 G HA3 0.268 4.210 3.960 -0.031 0.000 0.283 406 G C -0.601 174.305 174.900 0.010 0.000 1.309 406 G CA -0.681 44.371 45.100 -0.080 0.000 1.022 406 G HN -0.025 nan 8.290 nan 0.000 0.501 407 F N 1.690 121.710 119.950 0.115 0.000 2.578 407 F HA 0.259 4.771 4.527 -0.025 0.000 0.376 407 F C 1.219 177.112 175.800 0.155 0.000 1.085 407 F CA 0.739 58.795 58.000 0.092 0.000 1.260 407 F CB 0.355 39.397 39.000 0.071 0.000 1.095 407 F HN 0.512 nan 8.300 nan 0.000 0.573 408 H N 2.289 121.484 119.070 0.208 0.000 3.068 408 H HA 0.400 4.936 4.556 -0.033 0.000 0.342 408 H C -3.429 171.979 175.328 0.133 0.000 1.284 408 H CA -2.284 53.837 56.048 0.121 0.000 1.181 408 H CB 1.494 31.279 29.762 0.039 0.000 1.898 408 H HN 0.252 nan 8.280 nan 0.000 0.540 409 P HA 0.268 nan 4.420 nan 0.000 0.281 409 P C -0.485 176.872 177.300 0.094 0.000 1.249 409 P CA -0.082 63.080 63.100 0.104 0.000 0.810 409 P CB 1.730 33.488 31.700 0.096 0.000 1.008 410 H N -0.555 118.608 119.070 0.154 0.000 2.797 410 H HA 0.268 4.805 4.556 -0.033 0.000 0.362 410 H C 0.091 175.496 175.328 0.129 0.000 1.183 410 H CA -0.388 55.761 56.048 0.168 0.000 1.197 410 H CB 1.766 31.631 29.762 0.172 0.000 1.835 410 H HN 0.287 nan 8.280 nan 0.000 0.567 411 T N 1.833 116.539 114.554 0.254 0.000 2.923 411 T HA -0.052 4.279 4.350 -0.031 0.000 0.304 411 T C 1.093 175.879 174.700 0.144 0.000 1.044 411 T CA 0.535 62.729 62.100 0.157 0.000 1.141 411 T CB 0.418 69.368 68.868 0.135 0.000 1.023 411 T HN 0.389 nan 8.240 nan 0.000 0.533 412 K N 1.020 121.475 120.400 0.092 0.000 2.367 412 K HA 0.273 4.575 4.320 -0.031 0.000 0.195 412 K C 0.496 177.104 176.600 0.012 0.000 1.060 412 K CA 0.218 56.544 56.287 0.066 0.000 1.022 412 K CB 0.765 33.294 32.500 0.048 0.000 0.894 412 K HN 0.641 nan 8.250 nan 0.000 0.540 413 E N 0.685 120.892 120.200 0.013 0.000 2.343 413 E HA 0.228 4.560 4.350 -0.031 0.000 0.286 413 E C -2.670 173.932 176.600 0.003 0.000 0.915 413 E CA -1.823 54.571 56.400 -0.011 0.000 0.784 413 E CB 1.160 30.848 29.700 -0.020 0.000 1.251 413 E HN -0.161 nan 8.360 nan 0.000 0.407 414 P HA 0.100 nan 4.420 nan 0.000 0.269 414 P C -0.924 176.354 177.300 -0.037 0.000 1.215 414 P CA -0.306 62.780 63.100 -0.023 0.000 0.780 414 P CB 0.338 32.030 31.700 -0.014 0.000 0.898 415 R N 2.071 122.516 120.500 -0.092 0.000 2.585 415 R HA 0.042 4.363 4.340 -0.031 0.000 0.275 415 R C 0.092 176.328 176.300 -0.106 0.000 1.018 415 R CA 0.041 56.034 56.100 -0.178 0.000 1.072 415 R CB -0.143 29.959 30.300 -0.330 0.000 0.953 415 R HN 0.456 nan 8.270 nan 0.000 0.419 416 L N 2.541 123.742 121.223 -0.037 0.000 2.592 416 L HA 0.232 4.553 4.340 -0.031 0.000 0.227 416 L C 0.031 177.005 176.870 0.173 0.000 1.127 416 L CA 0.035 54.929 54.840 0.089 0.000 0.884 416 L CB -0.357 41.794 42.059 0.154 0.000 1.065 416 L HN 0.662 nan 8.230 nan 0.000 0.457 417 F N -2.012 117.920 119.950 -0.029 0.000 2.645 417 F HA 0.728 5.243 4.527 -0.020 0.000 0.310 417 F C -0.481 175.295 175.800 -0.040 0.000 1.102 417 F CA -1.025 56.947 58.000 -0.045 0.000 0.952 417 F CB 1.210 40.122 39.000 -0.146 0.000 1.326 417 F HN -0.179 nan 8.300 nan 0.000 0.456 418 S N 1.700 117.492 115.700 0.152 0.000 2.651 418 S HA 0.709 5.161 4.470 -0.031 0.000 0.279 418 S C -1.263 173.557 174.600 0.368 0.000 1.148 418 S CA -1.006 57.265 58.200 0.120 0.000 0.837 418 S CB 1.686 64.930 63.200 0.073 0.000 1.138 418 S HN 0.748 nan 8.310 nan 0.000 0.478 419 I N 1.577 122.331 120.570 0.307 0.000 2.496 419 I HA 0.176 4.327 4.170 -0.031 0.000 0.285 419 I C 0.682 176.897 176.117 0.165 0.000 1.080 419 I CA -0.473 60.986 61.300 0.264 0.000 1.404 419 I CB 0.050 38.147 38.000 0.162 0.000 1.403 419 I HN 0.749 nan 8.210 nan 0.000 0.539 420 C N 6.615 125.988 119.300 0.122 0.000 2.689 420 C HA 0.084 4.526 4.460 -0.031 0.000 0.409 420 C C 1.760 176.812 174.990 0.103 0.000 1.293 420 C CA -0.361 58.745 59.018 0.146 0.000 2.136 420 C CB 0.043 27.816 27.740 0.055 0.000 2.719 420 C HN 0.786 nan 8.230 nan 0.000 0.644 421 K N 0.168 120.677 120.400 0.183 0.000 2.402 421 K HA 0.045 4.347 4.320 -0.031 0.000 0.203 421 K C 1.252 177.936 176.600 0.139 0.000 1.077 421 K CA 0.124 56.484 56.287 0.121 0.000 1.051 421 K CB 0.122 32.687 32.500 0.108 0.000 0.907 421 K HN 0.838 nan 8.250 nan 0.000 0.554 422 H N -0.897 118.193 119.070 0.034 0.000 2.586 422 H HA 0.188 4.724 4.556 -0.033 0.000 0.273 422 H C 0.006 175.358 175.328 0.040 0.000 0.997 422 H CA -0.155 55.919 56.048 0.043 0.000 1.177 422 H CB -0.259 29.540 29.762 0.061 0.000 1.471 422 H HN -0.229 nan 8.280 nan 0.000 0.538 423 V N 2.574 122.314 119.914 -0.291 0.000 2.407 423 V HA 0.168 4.270 4.120 -0.031 0.000 0.278 423 V C -0.266 175.761 176.094 -0.111 0.000 1.037 423 V CA -0.799 61.344 62.300 -0.261 0.000 0.900 423 V CB 1.635 33.276 31.823 -0.304 0.000 0.983 423 V HN 0.189 nan 8.190 nan 0.000 0.459 424 L N 6.847 128.029 121.223 -0.068 0.000 2.313 424 L HA 0.626 4.947 4.340 -0.031 0.000 0.283 424 L C -0.313 176.533 176.870 -0.040 0.000 1.013 424 L CA 0.056 54.874 54.840 -0.036 0.000 0.816 424 L CB 1.773 43.827 42.059 -0.008 0.000 1.236 424 L HN 0.429 nan 8.230 nan 0.000 0.419 425 V N 5.474 125.363 119.914 -0.041 0.000 2.509 425 V HA 0.528 4.629 4.120 -0.031 0.000 0.284 425 V C 0.026 176.104 176.094 -0.026 0.000 1.047 425 V CA -0.571 61.705 62.300 -0.040 0.000 0.952 425 V CB 1.209 33.003 31.823 -0.047 0.000 0.988 425 V HN 0.746 nan 8.190 nan 0.000 0.469 426 K N 2.009 122.396 120.400 -0.022 0.000 2.502 426 K HA 0.344 4.645 4.320 -0.031 0.000 0.257 426 K C -1.316 175.274 176.600 -0.017 0.000 0.938 426 K CA -0.922 55.356 56.287 -0.016 0.000 0.819 426 K CB 2.264 34.760 32.500 -0.008 0.000 1.333 426 K HN 0.551 nan 8.250 nan 0.000 0.434 427 D N 3.794 124.184 120.400 -0.016 0.000 2.508 427 D HA 0.202 4.824 4.640 -0.031 0.000 0.224 427 D C -0.414 175.878 176.300 -0.014 0.000 1.171 427 D CA -0.140 53.850 54.000 -0.017 0.000 1.006 427 D CB -0.370 40.418 40.800 -0.020 0.000 1.073 427 D HN 0.438 nan 8.370 nan 0.000 0.513 428 I N -1.744 118.818 120.570 -0.013 0.000 3.206 428 I HA 0.521 4.673 4.170 -0.031 0.000 0.313 428 I C -0.051 176.055 176.117 -0.018 0.000 1.103 428 I CA -1.438 59.855 61.300 -0.012 0.000 0.985 428 I CB 1.654 39.651 38.000 -0.006 0.000 1.240 428 I HN -0.209 nan 8.210 nan 0.000 0.464 429 K N 1.696 122.082 120.400 -0.022 0.000 2.401 429 K HA 0.397 4.698 4.320 -0.031 0.000 0.278 429 K C -1.219 175.348 176.600 -0.056 0.000 1.018 429 K CA -0.212 56.053 56.287 -0.037 0.000 0.981 429 K CB 0.852 33.328 32.500 -0.042 0.000 0.933 429 K HN 0.593 nan 8.250 nan 0.000 0.477 430 I N 5.609 126.139 120.570 -0.066 0.000 2.466 430 I HA 0.332 4.484 4.170 -0.031 0.000 0.289 430 I C -1.243 174.795 176.117 -0.132 0.000 1.026 430 I CA -0.687 60.557 61.300 -0.093 0.000 1.078 430 I CB 1.389 39.362 38.000 -0.044 0.000 1.249 430 I HN 0.560 nan 8.210 nan 0.000 0.429 431 I N 7.741 128.152 120.570 -0.264 0.000 2.315 431 I HA 0.362 4.514 4.170 -0.031 0.000 0.291 431 I C -0.609 175.418 176.117 -0.150 0.000 1.006 431 I CA -0.739 60.392 61.300 -0.283 0.000 1.265 431 I CB 1.417 39.072 38.000 -0.575 0.000 1.387 431 I HN 0.215 nan 8.210 nan 0.000 0.475 432 V N 7.945 127.830 119.914 -0.049 0.000 2.370 432 V HA 0.368 4.469 4.120 -0.031 0.000 0.279 432 V C -0.005 176.113 176.094 0.039 0.000 1.029 432 V CA -0.499 61.814 62.300 0.023 0.000 0.870 432 V CB 1.420 33.266 31.823 0.039 0.000 0.984 432 V HN 0.458 nan 8.190 nan 0.000 0.451 433 L N 4.409 125.678 121.223 0.077 0.000 2.318 433 L HA 0.510 4.831 4.340 -0.031 0.000 0.277 433 L C -0.503 176.414 176.870 0.077 0.000 1.008 433 L CA -0.408 54.476 54.840 0.074 0.000 0.846 433 L CB 1.552 43.663 42.059 0.088 0.000 1.220 433 L HN 0.512 nan 8.230 nan 0.000 0.423 434 D N 3.991 124.426 120.400 0.058 0.000 2.428 434 D HA 0.253 4.874 4.640 -0.031 0.000 0.221 434 D C 0.632 176.963 176.300 0.050 0.000 1.123 434 D CA -0.188 53.846 54.000 0.056 0.000 0.869 434 D CB 1.319 42.137 40.800 0.031 0.000 1.032 434 D HN 0.421 nan 8.370 nan 0.000 0.506 435 L N 2.754 124.014 121.223 0.061 0.000 2.592 435 L HA 0.220 4.541 4.340 -0.031 0.000 0.227 435 L C 1.648 178.547 176.870 0.048 0.000 1.127 435 L CA -0.184 54.689 54.840 0.055 0.000 0.884 435 L CB -0.103 41.994 42.059 0.063 0.000 1.065 435 L HN 0.117 nan 8.230 nan 0.000 0.457 436 R N 0.000 120.528 120.500 0.047 0.000 2.786 436 R HA 0.000 4.321 4.340 -0.031 0.000 0.208 436 R CA 0.000 56.124 56.100 0.041 0.000 0.921 436 R CB 0.000 30.321 30.300 0.035 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535