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 2hc8_1_A DATA FIRST_RESID 214 DATA SEQUENCE EAIKKLVGLQ AKTAVVIRDG KEIAVPVEEV AVGDIVIVRP GEKIPVDGVV DATA SEQUENCE VEGESYVDES MISGEPVPVL KSKGDEVFGA TINNTGVLKI RATRVGGETL DATA SEQUENCE LAQIVKLVED AMG 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 214 E HA 0.000 nan 4.350 nan 0.000 0.291 214 E C 0.000 176.598 176.600 -0.003 0.000 1.382 214 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 214 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 215 A N 0.802 123.620 122.820 -0.004 0.000 5.236 215 A HA -0.251 4.069 4.320 -0.000 0.000 0.326 215 A C 1.784 179.364 177.584 -0.006 0.000 1.825 215 A CA 2.182 54.215 52.037 -0.006 0.000 0.710 215 A CB -1.892 17.105 19.000 -0.006 0.000 1.383 215 A HN 1.709 nan 8.150 nan 0.000 0.386 216 I N 0.314 120.881 120.570 -0.005 0.000 2.286 216 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 216 I C 2.395 178.511 176.117 -0.002 0.000 1.104 216 I CA 2.293 63.590 61.300 -0.004 0.000 1.397 216 I CB -1.321 36.676 38.000 -0.004 0.000 1.072 216 I HN 0.693 nan 8.210 nan 0.000 0.417 217 K N 1.377 121.777 120.400 -0.001 0.000 2.097 217 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 217 K C 2.390 178.990 176.600 0.001 0.000 1.049 217 K CA 1.976 58.263 56.287 0.000 0.000 0.933 217 K CB 0.031 32.531 32.500 0.000 0.000 0.717 217 K HN 0.284 nan 8.250 nan 0.000 0.442 218 K N 1.060 121.460 120.400 0.000 0.000 2.057 218 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 218 K C 1.974 178.575 176.600 0.002 0.000 1.049 218 K CA 1.538 57.825 56.287 0.001 0.000 0.931 218 K CB -0.949 31.551 32.500 -0.000 0.000 0.714 218 K HN 0.159 nan 8.250 nan 0.000 0.440 219 L N 0.472 121.696 121.223 0.001 0.000 1.989 219 L HA -0.197 4.142 4.340 -0.000 0.000 0.211 219 L C 2.634 179.507 176.870 0.005 0.000 1.071 219 L CA 1.305 56.146 54.840 0.002 0.000 0.749 219 L CB -0.603 41.455 42.059 -0.002 0.000 0.890 219 L HN 0.238 nan 8.230 nan 0.000 0.431 220 V N 0.252 120.169 119.914 0.005 0.000 2.282 220 V HA -0.272 3.847 4.120 -0.000 0.000 0.249 220 V C 2.567 178.665 176.094 0.007 0.000 1.057 220 V CA 2.092 64.395 62.300 0.006 0.000 1.032 220 V CB -1.413 30.412 31.823 0.005 0.000 0.645 220 V HN 0.619 nan 8.190 nan 0.000 0.447 221 G N -0.625 108.178 108.800 0.006 0.000 2.470 221 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.220 221 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.220 221 G C 1.452 176.357 174.900 0.008 0.000 1.121 221 G CA 0.527 45.631 45.100 0.006 0.000 0.766 221 G HN 0.510 nan 8.290 nan 0.000 0.553 222 L N -0.329 120.900 121.223 0.009 0.000 2.492 222 L HA 0.135 4.475 4.340 -0.000 0.000 0.223 222 L C 1.303 178.182 176.870 0.016 0.000 1.132 222 L CA -0.066 54.781 54.840 0.012 0.000 0.850 222 L CB -0.175 41.891 42.059 0.012 0.000 0.966 222 L HN 0.258 nan 8.230 nan 0.000 0.454 223 Q N 0.871 120.680 119.800 0.015 0.000 2.361 223 Q HA 0.255 4.595 4.340 -0.000 0.000 0.276 223 Q C 0.385 176.395 176.000 0.017 0.000 1.022 223 Q CA -0.334 55.480 55.803 0.018 0.000 0.898 223 Q CB 0.959 29.707 28.738 0.017 0.000 1.246 223 Q HN 0.282 nan 8.270 nan 0.000 0.410 224 A N 2.536 125.367 122.820 0.018 0.000 2.466 224 A HA 0.014 4.334 4.320 -0.000 0.000 0.238 224 A C 0.304 177.895 177.584 0.012 0.000 1.074 224 A CA 0.157 52.203 52.037 0.015 0.000 0.774 224 A CB 0.372 19.382 19.000 0.016 0.000 1.015 224 A HN 0.849 nan 8.150 nan 0.000 0.498 225 K N -0.458 119.948 120.400 0.010 0.000 2.367 225 K HA 0.119 4.439 4.320 -0.000 0.000 0.195 225 K C 0.224 176.828 176.600 0.007 0.000 1.060 225 K CA 1.077 57.369 56.287 0.008 0.000 1.022 225 K CB 0.514 33.019 32.500 0.007 0.000 0.894 225 K HN 0.897 nan 8.250 nan 0.000 0.540 226 T N -1.906 112.652 114.554 0.007 0.000 2.883 226 T HA 0.814 5.163 4.350 -0.000 0.000 0.296 226 T C -1.068 173.635 174.700 0.005 0.000 1.117 226 T CA -1.028 61.075 62.100 0.005 0.000 1.006 226 T CB 2.324 71.195 68.868 0.005 0.000 1.191 226 T HN 0.004 nan 8.240 nan 0.000 0.508 227 A N 0.672 123.494 122.820 0.003 0.000 2.566 227 A HA 0.793 5.113 4.320 -0.000 0.000 0.292 227 A C -1.288 176.297 177.584 0.001 0.000 1.112 227 A CA -0.859 51.179 52.037 0.002 0.000 0.707 227 A CB 1.813 20.814 19.000 0.001 0.000 1.302 227 A HN 1.006 nan 8.150 nan 0.000 0.409 228 V N 1.679 121.592 119.914 -0.000 0.000 2.378 228 V HA 0.556 4.676 4.120 -0.000 0.000 0.288 228 V C 0.087 176.179 176.094 -0.003 0.000 1.016 228 V CA -0.430 61.869 62.300 -0.001 0.000 0.840 228 V CB 1.007 32.830 31.823 -0.001 0.000 0.994 228 V HN 1.101 nan 8.190 nan 0.000 0.431 229 V N 3.380 123.292 119.914 -0.004 0.000 2.850 229 V HA 0.689 4.809 4.120 -0.000 0.000 0.315 229 V C -0.348 175.743 176.094 -0.005 0.000 1.064 229 V CA -0.872 61.425 62.300 -0.005 0.000 0.979 229 V CB 2.096 33.916 31.823 -0.005 0.000 1.039 229 V HN 0.634 nan 8.190 nan 0.000 0.452 230 I N 2.909 123.475 120.570 -0.007 0.000 2.354 230 I HA 0.608 4.777 4.170 -0.000 0.000 0.286 230 I C 0.115 176.228 176.117 -0.006 0.000 1.007 230 I CA -0.310 60.987 61.300 -0.006 0.000 1.167 230 I CB 1.125 39.121 38.000 -0.007 0.000 1.320 230 I HN 0.627 nan 8.210 nan 0.000 0.458 231 R N 4.916 125.413 120.500 -0.005 0.000 2.628 231 R HA 0.312 4.651 4.340 -0.000 0.000 0.288 231 R C -0.960 175.338 176.300 -0.004 0.000 0.980 231 R CA -0.904 55.193 56.100 -0.005 0.000 0.891 231 R CB 1.738 32.035 30.300 -0.004 0.000 1.188 231 R HN 0.541 nan 8.270 nan 0.000 0.450 232 D N 1.525 121.923 120.400 -0.004 0.000 2.772 232 D HA -0.173 4.467 4.640 -0.000 0.000 0.233 232 D C 0.815 177.113 176.300 -0.004 0.000 1.143 232 D CA 1.917 55.915 54.000 -0.004 0.000 0.700 232 D CB -0.938 39.861 40.800 -0.003 0.000 1.076 232 D HN 1.094 nan 8.370 nan 0.000 0.430 233 G N -0.115 108.682 108.800 -0.004 0.000 2.168 233 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 233 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 233 G C 0.241 175.139 174.900 -0.004 0.000 0.977 233 G CA 1.209 46.307 45.100 -0.004 0.000 0.659 233 G HN 0.806 nan 8.290 nan 0.000 0.533 234 K N -0.183 120.215 120.400 -0.004 0.000 2.435 234 K HA 0.666 4.986 4.320 -0.000 0.000 0.251 234 K C -0.573 176.025 176.600 -0.003 0.000 0.954 234 K CA -1.059 55.227 56.287 -0.003 0.000 0.820 234 K CB 1.956 34.454 32.500 -0.002 0.000 1.292 234 K HN 0.135 nan 8.250 nan 0.000 0.436 235 E N 1.937 122.135 120.200 -0.003 0.000 2.360 235 E HA 0.231 4.580 4.350 -0.000 0.000 0.269 235 E C -0.578 176.021 176.600 -0.002 0.000 1.022 235 E CA -0.130 56.269 56.400 -0.003 0.000 0.887 235 E CB 0.788 30.487 29.700 -0.002 0.000 0.990 235 E HN 0.361 nan 8.360 nan 0.000 0.426 236 I N 1.906 122.475 120.570 -0.002 0.000 2.499 236 I HA 0.323 4.493 4.170 -0.000 0.000 0.288 236 I C -0.433 175.684 176.117 -0.001 0.000 1.048 236 I CA -0.947 60.352 61.300 -0.001 0.000 1.062 236 I CB 1.958 39.957 38.000 -0.002 0.000 1.238 236 I HN 0.468 nan 8.210 nan 0.000 0.426 237 A N 6.672 129.492 122.820 -0.000 0.000 2.404 237 A HA 0.669 4.989 4.320 -0.000 0.000 0.273 237 A C -0.137 177.447 177.584 0.001 0.000 1.144 237 A CA -0.290 51.747 52.037 0.000 0.000 0.806 237 A CB 0.282 19.283 19.000 0.001 0.000 1.080 237 A HN 0.656 nan 8.150 nan 0.000 0.509 238 V N 0.311 120.225 119.914 0.001 0.000 2.962 238 V HA 0.786 4.905 4.120 -0.000 0.000 0.313 238 V C -2.902 173.193 176.094 0.002 0.000 1.099 238 V CA -2.725 59.576 62.300 0.001 0.000 0.971 238 V CB 1.788 33.611 31.823 0.000 0.000 1.028 238 V HN 0.676 nan 8.190 nan 0.000 0.430 239 P HA 0.071 nan 4.420 nan 0.000 0.267 239 P C 0.904 178.206 177.300 0.003 0.000 1.200 239 P CA 0.272 63.374 63.100 0.003 0.000 0.772 239 P CB 1.326 33.028 31.700 0.003 0.000 0.855 240 V N 2.394 122.310 119.914 0.004 0.000 2.568 240 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 240 V C 1.843 177.940 176.094 0.004 0.000 1.072 240 V CA 2.079 64.381 62.300 0.005 0.000 1.084 240 V CB -1.072 30.755 31.823 0.007 0.000 0.676 240 V HN 0.462 nan 8.190 nan 0.000 0.469 241 E N 0.116 120.318 120.200 0.004 0.000 2.333 241 E HA -0.180 4.169 4.350 -0.000 0.000 0.198 241 E C 2.021 178.622 176.600 0.003 0.000 1.007 241 E CA 1.233 57.636 56.400 0.004 0.000 0.845 241 E CB -0.149 29.553 29.700 0.004 0.000 0.766 241 E HN 0.728 nan 8.360 nan 0.000 0.507 242 E N -0.026 120.175 120.200 0.002 0.000 2.478 242 E HA 0.027 4.376 4.350 -0.000 0.000 0.194 242 E C -0.216 176.384 176.600 -0.000 0.000 1.045 242 E CA -0.077 56.323 56.400 0.001 0.000 0.868 242 E CB 0.542 30.242 29.700 0.000 0.000 0.885 242 E HN 0.019 nan 8.360 nan 0.000 0.505 243 V N 1.951 121.864 119.914 -0.000 0.000 2.572 243 V HA 0.215 4.335 4.120 -0.000 0.000 0.291 243 V C 0.315 176.408 176.094 -0.002 0.000 1.039 243 V CA -0.230 62.069 62.300 -0.002 0.000 1.055 243 V CB 0.956 32.778 31.823 -0.002 0.000 0.969 243 V HN 0.113 nan 8.190 nan 0.000 0.482 244 A N 4.695 127.513 122.820 -0.004 0.000 2.320 244 A HA 0.753 5.073 4.320 -0.000 0.000 0.334 244 A C -0.275 177.305 177.584 -0.007 0.000 1.147 244 A CA -0.658 51.377 52.037 -0.004 0.000 0.820 244 A CB 1.234 20.232 19.000 -0.004 0.000 1.218 244 A HN 0.622 nan 8.150 nan 0.000 0.482 245 V N 1.324 121.234 119.914 -0.007 0.000 2.720 245 V HA 0.341 4.460 4.120 -0.000 0.000 0.307 245 V C 1.665 177.752 176.094 -0.011 0.000 1.071 245 V CA 2.196 64.489 62.300 -0.010 0.000 1.199 245 V CB 0.216 32.034 31.823 -0.008 0.000 0.900 245 V HN 2.035 nan 8.190 nan 0.000 0.494 246 G N 3.452 112.243 108.800 -0.015 0.000 2.258 246 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.233 246 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.233 246 G C 0.114 175.005 174.900 -0.015 0.000 1.006 246 G CA 0.106 45.197 45.100 -0.015 0.000 0.620 246 G HN 0.666 nan 8.290 nan 0.000 0.511 247 D N 1.237 121.628 120.400 -0.014 0.000 2.472 247 D HA 0.295 4.934 4.640 -0.000 0.000 0.237 247 D C 0.843 177.134 176.300 -0.016 0.000 1.141 247 D CA 0.186 54.178 54.000 -0.013 0.000 0.875 247 D CB 0.481 41.275 40.800 -0.011 0.000 1.192 247 D HN 0.141 nan 8.370 nan 0.000 0.450 248 I N 3.312 123.873 120.570 -0.014 0.000 2.312 248 I HA 0.078 4.247 4.170 -0.000 0.000 0.291 248 I C 0.495 176.603 176.117 -0.014 0.000 1.031 248 I CA -0.648 60.642 61.300 -0.016 0.000 1.293 248 I CB 0.570 38.561 38.000 -0.015 0.000 1.403 248 I HN 0.017 nan 8.210 nan 0.000 0.484 249 V N 6.149 126.053 119.914 -0.016 0.000 2.547 249 V HA 0.636 4.755 4.120 -0.000 0.000 0.299 249 V C -0.327 175.759 176.094 -0.013 0.000 1.040 249 V CA -0.765 61.527 62.300 -0.013 0.000 0.913 249 V CB 2.366 34.181 31.823 -0.013 0.000 0.992 249 V HN 0.616 nan 8.190 nan 0.000 0.449 250 I N 4.599 125.164 120.570 -0.009 0.000 2.377 250 I HA 0.684 4.853 4.170 -0.000 0.000 0.293 250 I C -1.009 175.105 176.117 -0.005 0.000 0.987 250 I CA -0.692 60.603 61.300 -0.008 0.000 1.185 250 I CB 1.679 39.675 38.000 -0.006 0.000 1.341 250 I HN 0.629 nan 8.210 nan 0.000 0.455 251 V N 7.350 127.262 119.914 -0.005 0.000 2.443 251 V HA 0.489 4.609 4.120 -0.000 0.000 0.293 251 V C -0.053 176.043 176.094 0.002 0.000 1.021 251 V CA -0.764 61.536 62.300 -0.000 0.000 0.848 251 V CB 1.531 33.354 31.823 -0.000 0.000 0.998 251 V HN 0.706 nan 8.190 nan 0.000 0.424 252 R N 4.604 125.107 120.500 0.005 0.000 2.577 252 R HA 0.491 4.831 4.340 -0.000 0.000 0.269 252 R C -2.587 173.720 176.300 0.012 0.000 1.084 252 R CA -1.834 54.271 56.100 0.008 0.000 1.163 252 R CB 0.297 30.602 30.300 0.007 0.000 1.100 252 R HN 0.400 nan 8.270 nan 0.000 0.547 253 P HA 0.023 nan 4.420 nan 0.000 0.264 253 P C 0.267 177.579 177.300 0.020 0.000 1.183 253 P CA 1.127 64.240 63.100 0.022 0.000 0.763 253 P CB 0.599 32.313 31.700 0.023 0.000 0.807 254 G N 1.350 110.164 108.800 0.023 0.000 2.199 254 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 254 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 254 G C 0.182 175.094 174.900 0.019 0.000 0.982 254 G CA 0.030 45.142 45.100 0.021 0.000 0.632 254 G HN 0.632 nan 8.290 nan 0.000 0.529 255 E N 0.579 120.790 120.200 0.018 0.000 2.283 255 E HA 0.524 4.873 4.350 -0.000 0.000 0.271 255 E C 0.239 176.851 176.600 0.019 0.000 1.031 255 E CA -0.828 55.581 56.400 0.016 0.000 0.868 255 E CB 0.623 30.331 29.700 0.012 0.000 1.094 255 E HN 0.213 nan 8.360 nan 0.000 0.401 256 K N 3.722 124.134 120.400 0.019 0.000 2.368 256 K HA 0.124 4.444 4.320 -0.000 0.000 0.282 256 K C -0.311 176.302 176.600 0.021 0.000 1.035 256 K CA -0.228 56.072 56.287 0.022 0.000 0.973 256 K CB 0.378 32.891 32.500 0.021 0.000 0.957 256 K HN 0.462 nan 8.250 nan 0.000 0.474 257 I N 8.536 129.122 120.570 0.026 0.000 2.517 257 I HA 0.019 4.188 4.170 -0.000 0.000 0.285 257 I C -1.279 174.852 176.117 0.022 0.000 1.106 257 I CA -1.463 59.849 61.300 0.020 0.000 1.402 257 I CB 1.025 39.038 38.000 0.023 0.000 1.399 257 I HN 0.658 nan 8.210 nan 0.000 0.535 258 P HA -0.010 nan 4.420 nan 0.000 0.226 258 P C 0.088 177.398 177.300 0.017 0.000 1.161 258 P CA 0.797 63.905 63.100 0.015 0.000 0.804 258 P CB 0.331 32.035 31.700 0.008 0.000 0.829 259 V N -4.082 115.838 119.914 0.009 0.000 3.181 259 V HA 0.570 4.690 4.120 -0.000 0.000 0.308 259 V C -1.157 174.933 176.094 -0.007 0.000 1.214 259 V CA -1.260 61.045 62.300 0.008 0.000 1.053 259 V CB 1.528 33.350 31.823 -0.003 0.000 1.069 259 V HN -0.329 nan 8.190 nan 0.000 0.441 260 D N 0.942 121.336 120.400 -0.011 0.000 2.382 260 D HA 0.698 5.338 4.640 -0.000 0.000 0.245 260 D C 0.411 176.640 176.300 -0.119 0.000 1.120 260 D CA 1.283 55.231 54.000 -0.087 0.000 0.890 260 D CB 1.414 42.179 40.800 -0.059 0.000 1.201 260 D HN 1.252 nan 8.370 nan 0.000 0.433 261 G N -0.695 107.989 108.800 -0.193 0.000 2.490 261 G HA2 0.467 4.427 3.960 -0.000 0.000 0.308 261 G HA3 0.467 4.427 3.960 -0.000 0.000 0.308 261 G C -1.748 173.049 174.900 -0.173 0.000 1.286 261 G CA -0.560 44.452 45.100 -0.147 0.000 0.825 261 G HN 0.351 nan 8.290 nan 0.000 0.479 262 V N 0.421 120.265 119.914 -0.117 0.000 2.540 262 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 262 V C 0.328 176.375 176.094 -0.079 0.000 1.035 262 V CA -0.734 61.503 62.300 -0.104 0.000 0.873 262 V CB 1.595 33.371 31.823 -0.079 0.000 0.992 262 V HN 0.667 nan 8.190 nan 0.000 0.428 263 V N 5.833 125.701 119.914 -0.077 0.000 2.540 263 V HA 0.016 4.135 4.120 -0.000 0.000 0.297 263 V C 1.172 177.237 176.094 -0.048 0.000 1.024 263 V CA 0.939 63.203 62.300 -0.060 0.000 1.105 263 V CB 1.103 32.890 31.823 -0.060 0.000 0.938 263 V HN 0.876 nan 8.190 nan 0.000 0.482 264 V N 1.262 121.152 119.914 -0.040 0.000 3.523 264 V HA 0.447 4.566 4.120 -0.000 0.000 0.255 264 V C 0.481 176.558 176.094 -0.028 0.000 1.226 264 V CA 0.502 62.783 62.300 -0.033 0.000 1.092 264 V CB 0.198 32.004 31.823 -0.029 0.000 0.817 264 V HN 0.843 nan 8.190 nan 0.000 0.458 265 E N -0.318 119.865 120.200 -0.029 0.000 2.335 265 E HA 0.540 4.890 4.350 -0.000 0.000 0.280 265 E C -0.294 176.289 176.600 -0.028 0.000 0.918 265 E CA 0.167 56.552 56.400 -0.026 0.000 0.765 265 E CB 1.802 31.490 29.700 -0.020 0.000 1.218 265 E HN 0.850 nan 8.360 nan 0.000 0.425 266 G N 2.600 111.383 108.800 -0.028 0.000 2.603 266 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.686 266 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.686 266 G C -1.120 173.754 174.900 -0.043 0.000 1.286 266 G CA -0.252 44.830 45.100 -0.030 0.000 0.871 266 G HN 0.587 nan 8.290 nan 0.000 0.568 267 E N -0.934 119.237 120.200 -0.048 0.000 2.311 267 E HA 0.619 4.969 4.350 -0.000 0.000 0.281 267 E C -0.986 175.564 176.600 -0.084 0.000 0.905 267 E CA -0.228 56.124 56.400 -0.079 0.000 0.778 267 E CB 1.751 31.403 29.700 -0.080 0.000 1.240 267 E HN 1.101 nan 8.360 nan 0.000 0.410 268 S N 3.090 118.713 115.700 -0.127 0.000 2.537 268 S HA 0.396 4.865 4.470 -0.000 0.000 0.271 268 S C -1.798 172.702 174.600 -0.165 0.000 1.148 268 S CA -0.584 57.564 58.200 -0.087 0.000 0.868 268 S CB 0.601 63.789 63.200 -0.020 0.000 1.115 268 S HN 0.445 nan 8.310 nan 0.000 0.461 269 Y N 1.881 122.186 120.300 0.009 0.000 2.335 269 Y HA 0.472 5.022 4.550 -0.000 0.000 0.331 269 Y C 0.376 176.286 175.900 0.016 0.000 1.094 269 Y CA 0.007 58.114 58.100 0.013 0.000 1.253 269 Y CB 1.013 39.479 38.460 0.011 0.000 1.203 269 Y HN 0.385 nan 8.280 nan 0.000 0.508 270 V N 3.586 123.592 119.914 0.154 0.000 2.555 270 V HA 0.170 4.290 4.120 -0.000 0.000 0.302 270 V C -0.628 175.535 176.094 0.115 0.000 1.038 270 V CA -1.060 61.304 62.300 0.106 0.000 0.887 270 V CB 1.877 33.742 31.823 0.071 0.000 0.991 270 V HN 0.631 nan 8.190 nan 0.000 0.434 271 D N 3.232 123.685 120.400 0.088 0.000 2.347 271 D HA 0.227 4.867 4.640 -0.000 0.000 0.235 271 D C 0.592 176.929 176.300 0.062 0.000 1.149 271 D CA -0.080 53.961 54.000 0.068 0.000 0.850 271 D CB 1.107 41.936 40.800 0.049 0.000 1.061 271 D HN 0.661 nan 8.370 nan 0.000 0.487 272 E N 1.492 121.727 120.200 0.059 0.000 2.501 272 E HA -0.007 4.343 4.350 -0.000 0.000 0.201 272 E C 1.637 178.248 176.600 0.017 0.000 1.016 272 E CA -0.011 56.417 56.400 0.047 0.000 0.920 272 E CB 0.377 30.110 29.700 0.056 0.000 1.023 272 E HN 0.529 nan 8.360 nan 0.000 0.474 273 S N 2.253 117.963 115.700 0.018 0.000 2.387 273 S HA -0.258 4.212 4.470 -0.000 0.000 0.230 273 S C 2.193 176.792 174.600 -0.002 0.000 1.035 273 S CA 1.225 59.429 58.200 0.006 0.000 1.014 273 S CB -0.343 62.861 63.200 0.008 0.000 0.836 273 S HN 0.348 nan 8.310 nan 0.000 0.466 274 M N 0.511 120.112 119.600 0.002 0.000 2.549 274 M HA 0.190 4.670 4.480 -0.000 0.000 0.260 274 M C 1.555 177.847 176.300 -0.014 0.000 1.076 274 M CA 1.309 56.608 55.300 -0.002 0.000 1.090 274 M CB -1.230 31.374 32.600 0.007 0.000 1.418 274 M HN 0.460 nan 8.290 nan 0.000 0.486 275 I N 0.137 120.691 120.570 -0.026 0.000 3.570 275 I HA -0.022 4.148 4.170 -0.000 0.000 0.270 275 I C 2.361 178.436 176.117 -0.069 0.000 1.162 275 I CA 0.904 62.170 61.300 -0.057 0.000 1.413 275 I CB -0.126 37.818 38.000 -0.093 0.000 1.437 275 I HN 0.349 nan 8.210 nan 0.000 0.457 276 S N 0.615 116.275 115.700 -0.067 0.000 2.496 276 S HA 0.123 4.592 4.470 -0.000 0.000 0.224 276 S C 1.798 176.377 174.600 -0.035 0.000 0.996 276 S CA 0.731 58.894 58.200 -0.061 0.000 0.927 276 S CB 0.277 63.444 63.200 -0.056 0.000 0.774 276 S HN 0.638 nan 8.310 nan 0.000 0.524 277 G N 0.674 109.460 108.800 -0.024 0.000 2.184 277 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 277 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 277 G C -0.238 174.657 174.900 -0.008 0.000 0.975 277 G CA 0.311 45.403 45.100 -0.015 0.000 0.642 277 G HN 0.622 nan 8.290 nan 0.000 0.536 278 E N 0.907 121.104 120.200 -0.005 0.000 2.257 278 E HA 0.385 4.735 4.350 -0.000 0.000 0.278 278 E C -1.178 175.426 176.600 0.006 0.000 1.049 278 E CA -1.438 54.963 56.400 0.002 0.000 0.876 278 E CB 1.241 30.946 29.700 0.008 0.000 1.035 278 E HN 0.202 nan 8.360 nan 0.000 0.419 279 P HA -0.066 nan 4.420 nan 0.000 0.222 279 P C -0.123 177.178 177.300 0.002 0.000 1.153 279 P CA 0.414 63.515 63.100 0.001 0.000 0.798 279 P CB 0.340 32.037 31.700 -0.004 0.000 0.796 280 V N 3.662 123.579 119.914 0.004 0.000 2.488 280 V HA 0.172 4.291 4.120 -0.000 0.000 0.277 280 V C -1.708 174.404 176.094 0.031 0.000 1.046 280 V CA -1.609 60.691 62.300 0.000 0.000 0.986 280 V CB 0.288 32.110 31.823 -0.002 0.000 0.989 280 V HN 0.091 nan 8.190 nan 0.000 0.475 281 P HA 0.219 nan 4.420 nan 0.000 0.272 281 P C -0.860 176.573 177.300 0.222 0.000 1.240 281 P CA -0.126 63.043 63.100 0.115 0.000 0.791 281 P CB 0.946 32.717 31.700 0.119 0.000 0.978 282 V N 2.225 122.284 119.914 0.242 0.000 2.495 282 V HA 0.159 4.279 4.120 -0.000 0.000 0.298 282 V C 0.381 176.544 176.094 0.115 0.000 1.031 282 V CA -0.989 61.434 62.300 0.205 0.000 0.871 282 V CB 1.456 33.349 31.823 0.116 0.000 0.988 282 V HN 0.408 nan 8.190 nan 0.000 0.432 283 L N 6.358 127.549 121.223 -0.054 0.000 2.462 283 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 283 L C -0.014 176.723 176.870 -0.222 0.000 1.166 283 L CA 0.653 55.203 54.840 -0.483 0.000 0.880 283 L CB 0.024 41.754 42.059 -0.548 0.000 1.142 283 L HN 0.501 nan 8.230 nan 0.000 0.473 284 K N 4.078 124.345 120.400 -0.221 0.000 2.413 284 K HA 0.583 4.902 4.320 -0.000 0.000 0.257 284 K C -0.873 175.653 176.600 -0.124 0.000 0.946 284 K CA -0.448 55.766 56.287 -0.120 0.000 0.823 284 K CB 1.762 34.217 32.500 -0.075 0.000 1.109 284 K HN 0.686 nan 8.250 nan 0.000 0.427 285 S N 0.946 116.590 115.700 -0.095 0.000 2.745 285 S HA 0.375 4.844 4.470 -0.000 0.000 0.306 285 S C -0.515 174.050 174.600 -0.059 0.000 1.137 285 S CA -0.979 57.174 58.200 -0.079 0.000 0.900 285 S CB 1.738 64.894 63.200 -0.075 0.000 1.176 285 S HN 0.487 nan 8.310 nan 0.000 0.520 286 K N 0.379 120.749 120.400 -0.049 0.000 2.504 286 K HA 0.195 4.515 4.320 -0.000 0.000 0.278 286 K C 1.149 177.725 176.600 -0.040 0.000 1.025 286 K CA 1.338 57.600 56.287 -0.041 0.000 1.093 286 K CB -0.579 31.901 32.500 -0.033 0.000 0.873 286 K HN 0.982 nan 8.250 nan 0.000 0.483 287 G N 3.229 112.004 108.800 -0.043 0.000 2.217 287 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 287 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 287 G C -0.335 174.536 174.900 -0.047 0.000 0.990 287 G CA 0.178 45.254 45.100 -0.041 0.000 0.627 287 G HN 0.717 nan 8.290 nan 0.000 0.522 288 D N 1.016 121.384 120.400 -0.053 0.000 2.341 288 D HA 0.451 5.091 4.640 -0.000 0.000 0.245 288 D C 0.517 176.761 176.300 -0.092 0.000 1.106 288 D CA -0.039 53.926 54.000 -0.057 0.000 0.905 288 D CB 1.140 41.909 40.800 -0.052 0.000 1.202 288 D HN 0.498 nan 8.370 nan 0.000 0.426 289 E N 0.494 120.625 120.200 -0.115 0.000 2.331 289 E HA 0.379 4.729 4.350 -0.000 0.000 0.272 289 E C -0.731 175.675 176.600 -0.323 0.000 1.036 289 E CA -0.691 55.559 56.400 -0.249 0.000 0.864 289 E CB 0.926 30.454 29.700 -0.287 0.000 1.035 289 E HN 0.261 nan 8.360 nan 0.000 0.408 290 V N 0.654 120.294 119.914 -0.458 0.000 3.040 290 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 290 V C -1.040 174.695 176.094 -0.599 0.000 1.115 290 V CA -0.969 61.114 62.300 -0.362 0.000 0.998 290 V CB 1.319 33.059 31.823 -0.137 0.000 1.042 290 V HN 0.530 nan 8.190 nan 0.000 0.433 291 F N 0.723 120.673 119.950 0.001 0.000 2.508 291 F HA 0.817 5.344 4.527 -0.000 0.000 0.325 291 F C 1.130 176.932 175.800 0.003 0.000 1.090 291 F CA -0.284 57.717 58.000 0.002 0.000 0.945 291 F CB 1.972 40.974 39.000 0.003 0.000 1.156 291 F HN 0.919 nan 8.300 nan 0.000 0.463 292 G N 0.643 109.546 108.800 0.171 0.000 2.491 292 G HA2 0.393 4.353 3.960 -0.000 0.000 0.238 292 G HA3 0.393 4.353 3.960 -0.000 0.000 0.238 292 G C 0.569 175.531 174.900 0.104 0.000 1.277 292 G CA 0.278 45.438 45.100 0.100 0.000 0.851 292 G HN 1.586 nan 8.290 nan 0.000 0.573 293 A N 0.500 123.361 122.820 0.069 0.000 3.553 293 A HA -0.179 4.141 4.320 -0.000 0.000 0.261 293 A C 1.321 178.938 177.584 0.055 0.000 1.096 293 A CA 1.891 53.959 52.037 0.052 0.000 1.308 293 A CB -2.658 16.368 19.000 0.042 0.000 1.084 293 A HN 2.306 nan 8.150 nan 0.000 0.914 294 T N -1.213 113.388 114.554 0.079 0.000 2.828 294 T HA 0.664 5.013 4.350 -0.000 0.000 0.290 294 T C 0.122 174.856 174.700 0.057 0.000 1.019 294 T CA 0.076 62.221 62.100 0.075 0.000 1.031 294 T CB 1.198 70.133 68.868 0.112 0.000 1.001 294 T HN 0.740 nan 8.240 nan 0.000 0.531 295 I N 2.211 122.812 120.570 0.052 0.000 2.362 295 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 295 I C 0.130 176.275 176.117 0.047 0.000 0.994 295 I CA -0.932 60.393 61.300 0.042 0.000 1.158 295 I CB 1.389 39.410 38.000 0.035 0.000 1.315 295 I HN 0.638 nan 8.210 nan 0.000 0.451 296 N N 5.073 123.797 118.700 0.039 0.000 2.475 296 N HA 0.112 4.851 4.740 -0.000 0.000 0.267 296 N C 0.383 175.920 175.510 0.045 0.000 1.169 296 N CA 0.361 53.435 53.050 0.040 0.000 0.947 296 N CB 0.680 39.182 38.487 0.025 0.000 1.061 296 N HN 0.446 nan 8.380 nan 0.000 0.466 297 N N 1.037 119.776 118.700 0.064 0.000 2.420 297 N HA -0.024 4.715 4.740 -0.000 0.000 0.185 297 N C 1.182 176.731 175.510 0.065 0.000 1.033 297 N CA 1.651 54.741 53.050 0.067 0.000 0.879 297 N CB -0.170 38.370 38.487 0.088 0.000 1.071 297 N HN 0.738 nan 8.380 nan 0.000 0.437 298 T N -3.307 111.298 114.554 0.084 0.000 2.999 298 T HA 0.391 4.741 4.350 -0.000 0.000 0.247 298 T C 0.840 175.572 174.700 0.054 0.000 1.012 298 T CA 0.124 62.274 62.100 0.083 0.000 1.048 298 T CB 0.399 69.355 68.868 0.147 0.000 1.020 298 T HN 0.125 nan 8.240 nan 0.000 0.478 299 G N 0.844 109.666 108.800 0.038 0.000 2.612 299 G HA2 0.564 4.524 3.960 -0.000 0.000 0.298 299 G HA3 0.564 4.524 3.960 -0.000 0.000 0.298 299 G C -1.174 173.731 174.900 0.008 0.000 1.336 299 G CA -0.632 44.478 45.100 0.018 0.000 0.953 299 G HN 0.305 nan 8.290 nan 0.000 0.482 300 V N 1.686 121.602 119.914 0.004 0.000 2.599 300 V HA 0.361 4.480 4.120 -0.000 0.000 0.300 300 V C -0.109 175.980 176.094 -0.009 0.000 1.034 300 V CA 0.270 62.570 62.300 -0.001 0.000 1.115 300 V CB 0.023 31.846 31.823 -0.001 0.000 0.934 300 V HN 0.482 nan 8.190 nan 0.000 0.485 301 L N 7.170 128.386 121.223 -0.011 0.000 2.346 301 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 301 L C -0.158 176.702 176.870 -0.018 0.000 1.006 301 L CA -0.758 54.070 54.840 -0.019 0.000 0.817 301 L CB 1.943 43.989 42.059 -0.022 0.000 1.272 301 L HN 0.551 nan 8.230 nan 0.000 0.421 302 K N 3.971 124.358 120.400 -0.022 0.000 2.206 302 K HA 0.688 5.008 4.320 -0.000 0.000 0.264 302 K C -1.148 175.434 176.600 -0.029 0.000 0.967 302 K CA -0.394 55.880 56.287 -0.022 0.000 0.844 302 K CB 2.070 34.558 32.500 -0.019 0.000 1.099 302 K HN 0.385 nan 8.250 nan 0.000 0.441 303 I N 2.120 122.672 120.570 -0.031 0.000 2.498 303 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 303 I C -0.301 175.793 176.117 -0.038 0.000 1.032 303 I CA -0.850 60.425 61.300 -0.041 0.000 1.073 303 I CB 2.056 40.027 38.000 -0.047 0.000 1.251 303 I HN 0.432 nan 8.210 nan 0.000 0.426 304 R N 5.074 125.549 120.500 -0.042 0.000 2.234 304 R HA 0.640 4.979 4.340 -0.000 0.000 0.324 304 R C -0.248 176.025 176.300 -0.044 0.000 1.054 304 R CA -0.411 55.666 56.100 -0.037 0.000 0.912 304 R CB 0.979 31.258 30.300 -0.035 0.000 1.030 304 R HN 0.783 nan 8.270 nan 0.000 0.455 305 A N 3.339 126.138 122.820 -0.035 0.000 2.520 305 A HA 0.098 4.418 4.320 -0.000 0.000 0.245 305 A C 1.038 178.600 177.584 -0.037 0.000 1.072 305 A CA 0.294 52.310 52.037 -0.036 0.000 0.761 305 A CB 0.377 19.363 19.000 -0.024 0.000 1.004 305 A HN 0.974 nan 8.150 nan 0.000 0.499 306 T N 0.127 114.654 114.554 -0.046 0.000 2.999 306 T HA 0.302 4.651 4.350 -0.000 0.000 0.247 306 T C 0.651 175.336 174.700 -0.024 0.000 1.012 306 T CA 0.068 62.145 62.100 -0.039 0.000 1.048 306 T CB 0.151 68.986 68.868 -0.056 0.000 1.020 306 T HN 0.659 nan 8.240 nan 0.000 0.478 307 R N 1.039 121.527 120.500 -0.020 0.000 2.564 307 R HA 0.696 5.036 4.340 -0.000 0.000 0.284 307 R C -1.367 174.936 176.300 0.005 0.000 1.031 307 R CA -0.800 55.300 56.100 0.000 0.000 0.904 307 R CB 2.921 33.231 30.300 0.017 0.000 1.199 307 R HN 0.289 nan 8.270 nan 0.000 0.443 308 V N -0.802 119.117 119.914 0.008 0.000 3.141 308 V HA 0.929 5.048 4.120 -0.000 0.000 0.312 308 V C 0.654 176.756 176.094 0.013 0.000 1.157 308 V CA 0.201 62.506 62.300 0.010 0.000 1.041 308 V CB 1.350 33.175 31.823 0.004 0.000 1.071 308 V HN 0.917 nan 8.190 nan 0.000 0.441 309 G N 1.449 110.257 108.800 0.013 0.000 2.611 309 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.301 309 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.301 309 G C 1.027 175.937 174.900 0.016 0.000 1.233 309 G CA 0.714 45.822 45.100 0.013 0.000 0.993 309 G HN 2.352 nan 8.290 nan 0.000 0.553 310 G N -0.102 108.707 108.800 0.014 0.000 2.776 310 G HA2 0.280 4.240 3.960 -0.000 0.000 0.209 310 G HA3 0.280 4.240 3.960 -0.000 0.000 0.209 310 G C 1.237 176.148 174.900 0.019 0.000 1.145 310 G CA 1.379 46.488 45.100 0.015 0.000 0.791 310 G HN 0.712 nan 8.290 nan 0.000 0.530 311 E N 0.278 120.491 120.200 0.022 0.000 2.472 311 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 311 E C 1.138 177.763 176.600 0.042 0.000 1.033 311 E CA 0.011 56.427 56.400 0.027 0.000 0.886 311 E CB 0.282 29.994 29.700 0.021 0.000 0.944 311 E HN 0.456 nan 8.360 nan 0.000 0.492 312 T N -0.624 113.958 114.554 0.046 0.000 2.856 312 T HA -0.006 4.344 4.350 -0.000 0.000 0.306 312 T C 1.230 175.982 174.700 0.088 0.000 1.062 312 T CA -0.561 61.583 62.100 0.074 0.000 1.083 312 T CB 1.145 70.054 68.868 0.069 0.000 0.984 312 T HN -0.058 nan 8.240 nan 0.000 0.542 313 L N 1.646 122.957 121.223 0.147 0.000 2.013 313 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 313 L C 2.245 179.136 176.870 0.034 0.000 1.073 313 L CA 1.750 56.647 54.840 0.095 0.000 0.753 313 L CB -1.448 40.662 42.059 0.086 0.000 0.890 313 L HN 0.764 nan 8.230 nan 0.000 0.432 314 L N 0.028 121.277 121.223 0.044 0.000 2.012 314 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 314 L C 2.524 179.404 176.870 0.017 0.000 1.073 314 L CA 2.241 57.093 54.840 0.021 0.000 0.748 314 L CB -1.366 40.711 42.059 0.030 0.000 0.891 314 L HN 0.348 nan 8.230 nan 0.000 0.431 315 A N -1.439 121.397 122.820 0.027 0.000 1.972 315 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 315 A C 2.176 179.769 177.584 0.015 0.000 1.169 315 A CA 1.681 53.729 52.037 0.020 0.000 0.635 315 A CB -0.487 18.527 19.000 0.022 0.000 0.810 315 A HN 0.669 nan 8.150 nan 0.000 0.446 316 Q N -0.589 119.221 119.800 0.018 0.000 2.119 316 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 316 Q C 1.974 177.976 176.000 0.003 0.000 0.972 316 Q CA 1.335 57.145 55.803 0.012 0.000 0.847 316 Q CB -0.278 28.470 28.738 0.018 0.000 0.903 316 Q HN 0.747 nan 8.270 nan 0.000 0.433 317 I N -0.104 120.464 120.570 -0.003 0.000 2.142 317 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 317 I C 2.217 178.330 176.117 -0.006 0.000 1.078 317 I CA 0.925 62.219 61.300 -0.011 0.000 1.343 317 I CB -0.378 37.610 38.000 -0.020 0.000 1.046 317 I HN 0.032 nan 8.210 nan 0.000 0.405 318 V N 1.075 120.988 119.914 -0.002 0.000 2.282 318 V HA -0.363 3.757 4.120 -0.000 0.000 0.249 318 V C 2.559 178.653 176.094 0.001 0.000 1.057 318 V CA 2.218 64.519 62.300 0.000 0.000 1.032 318 V CB -0.747 31.078 31.823 0.003 0.000 0.645 318 V HN 0.436 nan 8.190 nan 0.000 0.447 319 K N -0.280 120.122 120.400 0.003 0.000 2.057 319 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 319 K C 2.268 178.869 176.600 0.001 0.000 1.049 319 K CA 1.678 57.967 56.287 0.003 0.000 0.931 319 K CB -0.252 32.251 32.500 0.005 0.000 0.714 319 K HN 0.432 nan 8.250 nan 0.000 0.440 320 L N 0.959 122.182 121.223 -0.000 0.000 1.971 320 L HA -0.233 4.106 4.340 -0.000 0.000 0.215 320 L C 2.211 179.079 176.870 -0.003 0.000 1.072 320 L CA 1.611 56.450 54.840 -0.002 0.000 0.758 320 L CB -0.327 41.730 42.059 -0.004 0.000 0.889 320 L HN 0.091 nan 8.230 nan 0.000 0.433 321 V N 0.033 119.945 119.914 -0.003 0.000 2.261 321 V HA -0.299 3.820 4.120 -0.000 0.000 0.246 321 V C 2.404 178.496 176.094 -0.002 0.000 1.047 321 V CA 2.155 64.453 62.300 -0.003 0.000 1.015 321 V CB -0.634 31.186 31.823 -0.004 0.000 0.642 321 V HN 0.492 nan 8.190 nan 0.000 0.446 322 E N -0.054 120.146 120.200 -0.001 0.000 2.058 322 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 322 E C 2.025 178.626 176.600 0.000 0.000 0.997 322 E CA 1.646 58.045 56.400 -0.000 0.000 0.801 322 E CB -0.234 29.467 29.700 0.001 0.000 0.746 322 E HN 0.598 nan 8.360 nan 0.000 0.450 323 D N 0.264 120.665 120.400 0.000 0.000 2.092 323 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 323 D C 1.860 178.160 176.300 -0.000 0.000 0.994 323 D CA 1.495 55.496 54.000 0.000 0.000 0.828 323 D CB -0.359 40.441 40.800 0.001 0.000 0.963 323 D HN 0.181 nan 8.370 nan 0.000 0.450 324 A N 0.415 123.234 122.820 -0.001 0.000 1.902 324 A HA -0.108 4.211 4.320 -0.000 0.000 0.217 324 A C 2.110 179.693 177.584 -0.001 0.000 1.181 324 A CA 1.288 53.324 52.037 -0.001 0.000 0.623 324 A CB -0.451 18.548 19.000 -0.002 0.000 0.818 324 A HN 0.199 nan 8.150 nan 0.000 0.443 325 M N -0.223 119.376 119.600 -0.001 0.000 2.495 325 M HA 0.148 4.628 4.480 -0.000 0.000 0.237 325 M C 1.075 177.374 176.300 -0.001 0.000 1.131 325 M CA 0.227 55.526 55.300 -0.001 0.000 1.032 325 M CB 0.087 32.686 32.600 -0.002 0.000 1.513 325 M HN 0.396 nan 8.290 nan 0.000 0.488 326 G N 0.000 108.800 108.800 -0.000 0.000 5.446 326 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 326 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 326 G CA 0.000 45.100 45.100 0.000 0.000 0.502 326 G HN 0.000 nan 8.290 nan 0.000 0.925