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 1b88_1_B DATA FIRST_RESID 201 DATA SEQUENCE MQQVRQSPQS LTVWEGETAI LNcSYENSAF DYFPWYQQFP GEGPALLISI DATA SEQUENCE LSVSNKKEDG RFTIFFNKRE KKLSLHIADS QPGDSATYFc AASASFGDNS DATA SEQUENCE KLIWGLGTSL VVNP 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 201 M HA 0.000 nan 4.480 nan 0.000 0.227 201 M C 0.000 176.339 176.300 0.065 0.000 1.140 201 M CA 0.000 55.327 55.300 0.045 0.000 0.988 201 M CB 0.000 32.622 32.600 0.037 0.000 1.302 202 Q N 1.942 121.785 119.800 0.073 0.000 2.279 202 Q HA 0.097 nan 4.340 nan 0.000 0.256 202 Q C -0.681 175.396 176.000 0.127 0.000 0.937 202 Q CA 0.070 55.932 55.803 0.097 0.000 0.933 202 Q CB 0.964 29.755 28.738 0.088 0.000 1.189 202 Q HN 0.228 8.536 8.270 0.064 0.000 0.417 203 Q N 2.006 121.912 119.800 0.177 0.000 2.280 203 Q HA 0.074 nan 4.340 nan 0.000 0.201 203 Q C -1.594 174.625 176.000 0.365 0.000 0.890 203 Q CA 0.228 56.185 55.803 0.255 0.000 0.947 203 Q CB 0.926 29.833 28.738 0.282 0.000 1.081 203 Q HN 0.430 8.807 8.270 0.179 0.000 0.502 204 V N -0.120 119.952 119.914 0.264 0.000 2.454 204 V HA 0.195 nan 4.120 nan 0.000 0.267 204 V C -1.995 174.196 176.094 0.162 0.000 0.993 204 V CA -0.820 61.623 62.300 0.238 0.000 0.836 204 V CB -0.030 31.877 31.823 0.139 0.000 1.055 204 V HN -0.397 7.916 8.190 0.206 0.000 0.452 205 R N 5.836 126.433 120.500 0.162 0.000 2.347 205 R HA 0.160 nan 4.340 nan 0.000 0.304 205 R C -1.506 174.857 176.300 0.105 0.000 1.072 205 R CA -1.271 54.900 56.100 0.118 0.000 0.980 205 R CB 1.291 31.654 30.300 0.104 0.000 0.986 205 R HN 0.356 8.745 8.270 0.199 0.000 0.448 206 Q N 4.164 124.018 119.800 0.089 0.000 2.342 206 Q HA 0.565 nan 4.340 nan 0.000 0.267 206 Q C -1.122 174.928 176.000 0.083 0.000 1.038 206 Q CA -0.931 54.924 55.803 0.087 0.000 0.832 206 Q CB 3.618 32.398 28.738 0.070 0.000 1.323 206 Q HN 0.347 8.670 8.270 0.088 0.000 0.448 207 S N 3.410 119.167 115.700 0.095 0.000 2.543 207 S HA 0.494 nan 4.470 nan 0.000 0.271 207 S C -2.974 171.664 174.600 0.063 0.000 1.148 207 S CA -1.924 56.317 58.200 0.067 0.000 0.914 207 S CB 1.238 64.472 63.200 0.057 0.000 1.096 207 S HN 0.503 8.890 8.310 0.128 0.000 0.471 208 P HA 0.365 nan 4.420 nan 0.000 0.306 208 P C 0.022 177.336 177.300 0.023 0.000 1.309 208 P CA -1.012 62.101 63.100 0.022 0.000 0.759 208 P CB 1.923 33.624 31.700 0.002 0.000 1.314 209 Q N -1.380 118.428 119.800 0.013 0.000 2.036 209 Q HA -0.012 nan 4.340 nan 0.000 0.195 209 Q C 0.945 176.943 176.000 -0.003 0.000 0.971 209 Q CA 2.771 58.579 55.803 0.008 0.000 0.826 209 Q CB 0.354 29.097 28.738 0.009 0.000 0.896 209 Q HN 0.475 8.751 8.270 0.010 0.000 0.449 210 S N -2.740 112.955 115.700 -0.008 0.000 2.607 210 S HA 0.616 nan 4.470 nan 0.000 0.303 210 S C -1.680 172.905 174.600 -0.026 0.000 1.086 210 S CA -1.245 56.946 58.200 -0.016 0.000 0.995 210 S CB 1.476 64.666 63.200 -0.018 0.000 1.084 210 S HN -0.435 7.871 8.310 -0.007 0.000 0.507 211 L N 1.460 122.662 121.223 -0.035 0.000 2.705 211 L HA 0.256 nan 4.340 nan 0.000 0.260 211 L C -2.395 174.433 176.870 -0.070 0.000 0.921 211 L CA 0.380 55.187 54.840 -0.055 0.000 0.948 211 L CB 3.736 45.762 42.059 -0.056 0.000 1.427 211 L HN 0.019 8.231 8.230 -0.030 0.000 0.432 212 T N 5.639 120.131 114.554 -0.103 0.000 2.940 212 T HA 0.693 nan 4.350 nan 0.000 0.288 212 T C -2.263 172.327 174.700 -0.183 0.000 1.033 212 T CA -1.589 60.428 62.100 -0.138 0.000 1.033 212 T CB 1.705 70.467 68.868 -0.177 0.000 1.079 212 T HN -0.319 7.856 8.240 -0.108 0.000 0.496 213 V N 3.662 123.457 119.914 -0.198 0.000 3.203 213 V HA 0.574 nan 4.120 nan 0.000 0.305 213 V C -2.083 173.907 176.094 -0.174 0.000 1.361 213 V CA -1.599 60.588 62.300 -0.188 0.000 1.066 213 V CB 4.891 36.670 31.823 -0.073 0.000 1.085 213 V HN 0.655 8.741 8.190 -0.173 0.000 0.456 214 W N -0.489 120.803 121.300 -0.013 0.000 2.516 214 W HA 0.444 nan 4.660 nan 0.000 0.343 214 W C -0.846 175.667 176.519 -0.011 0.000 1.094 214 W CA -1.987 55.353 57.345 -0.009 0.000 1.250 214 W CB 2.461 31.915 29.460 -0.010 0.000 1.308 214 W HN 0.018 8.515 8.180 0.156 -0.223 0.588 215 E N 2.336 122.728 120.200 0.320 0.000 2.465 215 E HA -0.473 nan 4.350 nan 0.000 0.260 215 E C 0.887 177.550 176.600 0.104 0.000 0.980 215 E CA 1.978 58.471 56.400 0.156 0.000 0.927 215 E CB -0.096 29.678 29.700 0.124 0.000 0.934 215 E HN 0.284 8.902 8.360 0.430 0.000 0.459 216 G N 6.642 115.477 108.800 0.058 0.000 2.320 216 G HA2 -0.571 nan 3.960 nan 0.000 0.242 216 G HA3 -0.571 nan 3.960 nan 0.000 0.242 216 G C -1.073 173.846 174.900 0.032 0.000 1.033 216 G CA -0.173 44.942 45.100 0.025 0.000 0.620 216 G HN 0.979 9.177 8.290 0.049 0.122 0.517 217 E N 1.594 121.842 120.200 0.081 0.000 2.392 217 E HA -0.044 nan 4.350 nan 0.000 0.264 217 E C -0.913 175.704 176.600 0.029 0.000 1.024 217 E CA -0.017 56.434 56.400 0.086 0.000 0.903 217 E CB 1.118 30.927 29.700 0.181 0.000 0.963 217 E HN -0.291 7.917 8.360 0.127 0.229 0.432 218 T N 5.925 120.489 114.554 0.016 0.000 2.749 218 T HA 0.065 nan 4.350 nan 0.000 0.295 218 T C -1.084 173.593 174.700 -0.038 0.000 0.936 218 T CA -0.036 62.057 62.100 -0.011 0.000 1.060 218 T CB -0.130 68.752 68.868 0.024 0.000 0.904 218 T HN 0.019 8.278 8.240 0.031 0.000 0.500 219 A N 7.331 130.097 122.820 -0.090 0.000 2.303 219 A HA 0.533 nan 4.320 nan 0.000 0.317 219 A C -1.992 175.461 177.584 -0.218 0.000 1.149 219 A CA -1.633 50.322 52.037 -0.138 0.000 0.822 219 A CB 2.170 21.072 19.000 -0.164 0.000 1.131 219 A HN 0.298 8.386 8.150 -0.103 0.000 0.493 220 I N 0.555 120.980 120.570 -0.241 0.000 2.439 220 I HA 0.446 nan 4.170 nan 0.000 0.285 220 I C -1.192 174.783 176.117 -0.237 0.000 1.021 220 I CA -1.136 59.937 61.300 -0.379 0.000 1.091 220 I CB 1.737 39.482 38.000 -0.425 0.000 1.242 220 I HN 0.105 8.209 8.210 -0.176 0.000 0.439 221 L N 7.514 128.599 121.223 -0.231 0.000 2.298 221 L HA 0.405 nan 4.340 nan 0.000 0.284 221 L C -1.781 175.161 176.870 0.120 0.000 1.013 221 L CA -1.036 53.783 54.840 -0.034 0.000 0.824 221 L CB 1.202 43.258 42.059 -0.005 0.000 1.221 221 L HN 0.978 9.002 8.230 -0.343 0.000 0.418 222 N N 4.043 122.848 118.700 0.175 0.000 2.489 222 N HA 0.637 nan 4.740 nan 0.000 0.284 222 N C -2.048 173.649 175.510 0.311 0.000 1.158 222 N CA 0.093 53.282 53.050 0.232 0.000 0.965 222 N CB 2.863 41.425 38.487 0.125 0.000 1.195 222 N HN 0.475 8.927 8.380 0.120 0.000 0.506 223 c N 0.526 119.304 118.600 0.297 0.000 2.985 223 c HA 0.702 nan 4.570 nan 0.000 0.332 223 c C -2.267 171.951 174.090 0.213 0.000 1.164 223 c CA -1.152 55.310 56.329 0.221 0.000 1.347 223 c CB 2.274 44.883 42.510 0.165 0.000 1.764 223 c HN 0.397 8.800 8.230 0.288 0.000 0.489 224 S N 5.976 121.791 115.700 0.191 0.000 2.549 224 S HA 1.001 nan 4.470 nan 0.000 0.280 224 S C -2.194 172.572 174.600 0.277 0.000 1.109 224 S CA -1.310 56.987 58.200 0.162 0.000 0.905 224 S CB 2.670 65.910 63.200 0.068 0.000 1.081 224 S HN 0.941 9.250 8.310 0.173 0.104 0.477 225 Y N -1.758 118.659 120.300 0.195 0.000 2.609 225 Y HA 0.466 nan 4.550 nan 0.000 0.342 225 Y C -1.539 174.447 175.900 0.143 0.000 1.058 225 Y CA -1.906 56.352 58.100 0.263 0.000 1.055 225 Y CB 2.474 41.264 38.460 0.551 0.000 1.292 225 Y HN 0.011 8.198 8.280 -0.154 0.000 0.476 226 E N -0.925 119.409 120.200 0.223 0.000 2.228 226 E HA -0.001 nan 4.350 nan 0.000 0.197 226 E C -0.628 175.945 176.600 -0.045 0.000 0.909 226 E CA 0.455 56.868 56.400 0.022 0.000 0.911 226 E CB 0.922 30.629 29.700 0.012 0.000 0.887 226 E HN 0.117 8.674 8.360 0.328 0.000 0.481 227 N N 0.865 119.387 118.700 -0.296 0.000 2.412 227 N HA -0.121 nan 4.740 nan 0.000 0.279 227 N C 1.280 176.565 175.510 -0.374 0.000 1.287 227 N CA -0.041 52.659 53.050 -0.583 0.000 0.948 227 N CB -0.346 37.414 38.487 -1.212 0.000 1.255 227 N HN -0.243 7.941 8.380 -0.326 0.000 0.485 228 S N 7.690 123.366 115.700 -0.040 0.000 2.440 228 S HA -0.353 nan 4.470 nan 0.000 0.240 228 S C 1.317 176.018 174.600 0.169 0.000 1.014 228 S CA 3.248 61.546 58.200 0.163 0.000 0.980 228 S CB -0.567 62.691 63.200 0.095 0.000 0.775 228 S HN 0.161 8.433 8.310 -0.064 0.000 0.499 229 A N 1.610 124.448 122.820 0.029 0.000 2.172 229 A HA -0.132 nan 4.320 nan 0.000 0.216 229 A C -0.108 177.598 177.584 0.202 0.000 1.154 229 A CA 0.965 53.058 52.037 0.093 0.000 0.701 229 A CB -0.266 18.767 19.000 0.054 0.000 0.789 229 A HN -0.355 7.993 8.150 -0.090 -0.252 0.465 230 F N -1.724 118.214 119.950 -0.021 0.000 2.571 230 F HA -0.190 nan 4.527 nan 0.000 0.384 230 F C -0.622 174.984 175.800 -0.324 0.000 1.058 230 F CA -0.859 56.938 58.000 -0.339 0.000 1.200 230 F CB -0.865 37.749 39.000 -0.643 0.000 1.077 230 F HN -0.479 7.691 8.300 0.083 0.179 0.558 231 D N 2.994 123.237 120.400 -0.263 0.000 2.502 231 D HA 0.144 nan 4.640 nan 0.000 0.232 231 D C -1.661 174.489 176.300 -0.250 0.000 1.137 231 D CA 0.849 54.785 54.000 -0.106 0.000 0.827 231 D CB 3.353 44.184 40.800 0.051 0.000 1.141 231 D HN 0.402 8.607 8.370 -0.275 0.000 0.517 232 Y N 1.032 120.886 120.300 -0.744 0.000 2.326 232 Y HA 0.414 nan 4.550 nan 0.000 0.329 232 Y C -2.782 172.630 175.900 -0.814 0.000 0.973 232 Y CA -1.187 56.591 58.100 -0.537 0.000 1.162 232 Y CB 2.248 40.540 38.460 -0.279 0.000 1.147 232 Y HN -0.307 7.561 8.280 -0.686 0.000 0.456 233 F N 7.352 126.882 119.950 -0.701 0.000 2.434 233 F HA 0.429 nan 4.527 nan 0.000 0.367 233 F C -2.461 172.923 175.800 -0.693 0.000 1.093 233 F CA -3.074 54.522 58.000 -0.673 0.000 1.085 233 F CB 0.838 39.594 39.000 -0.407 0.000 1.322 233 F HN -0.085 8.050 8.300 -0.276 0.000 0.452 234 P HA 0.328 nan 4.420 nan 0.000 0.296 234 P C -2.092 175.014 177.300 -0.324 0.000 1.301 234 P CA -1.144 61.639 63.100 -0.528 0.000 0.862 234 P CB 1.189 32.511 31.700 -0.629 0.000 1.046 235 W N 1.040 122.113 121.300 -0.377 0.000 2.520 235 W HA 0.401 nan 4.660 nan 0.000 0.323 235 W C -1.073 175.244 176.519 -0.336 0.000 1.062 235 W CA -0.945 56.302 57.345 -0.163 0.000 1.215 235 W CB 2.480 31.902 29.460 -0.063 0.000 1.340 235 W HN 0.846 8.907 8.180 -0.015 0.110 0.516 236 Y N 0.427 120.847 120.300 0.199 0.000 2.468 236 Y HA 0.482 nan 4.550 nan 0.000 0.342 236 Y C -1.591 174.379 175.900 0.117 0.000 1.021 236 Y CA -1.691 56.515 58.100 0.177 0.000 1.079 236 Y CB 3.321 41.957 38.460 0.295 0.000 1.226 236 Y HN 0.736 9.349 8.280 0.555 0.000 0.460 237 Q N 1.144 120.978 119.800 0.057 0.000 2.316 237 Q HA 0.588 nan 4.340 nan 0.000 0.264 237 Q C -1.999 173.889 176.000 -0.188 0.000 0.987 237 Q CA -1.570 54.022 55.803 -0.351 0.000 0.852 237 Q CB 3.077 31.582 28.738 -0.389 0.000 1.287 237 Q HN 0.706 8.934 8.270 0.108 0.106 0.448 238 Q N 7.248 126.850 119.800 -0.330 0.000 2.320 238 Q HA 0.389 nan 4.340 nan 0.000 0.268 238 Q C -1.755 174.075 176.000 -0.282 0.000 1.023 238 Q CA -1.341 54.398 55.803 -0.107 0.000 0.744 238 Q CB 3.103 31.956 28.738 0.191 0.000 1.246 238 Q HN 0.808 8.643 8.270 -0.560 0.099 0.462 239 F N 6.640 126.598 119.950 0.013 0.000 2.380 239 F HA 0.253 nan 4.527 nan 0.000 0.325 239 F C -1.945 173.872 175.800 0.029 0.000 1.136 239 F CA -1.673 56.337 58.000 0.017 0.000 1.171 239 F CB -0.444 38.568 39.000 0.021 0.000 1.230 239 F HN 0.324 8.763 8.300 0.232 0.000 0.554 240 P HA -0.185 nan 4.420 nan 0.000 0.264 240 P C -0.513 176.853 177.300 0.111 0.000 1.183 240 P CA 1.266 64.437 63.100 0.119 0.000 0.763 240 P CB 0.118 31.880 31.700 0.103 0.000 0.807 241 G N 1.927 110.772 108.800 0.076 0.000 2.198 241 G HA2 -0.266 nan 3.960 nan 0.000 0.260 241 G HA3 -0.266 nan 3.960 nan 0.000 0.260 241 G C -1.224 173.714 174.900 0.063 0.000 1.025 241 G CA 0.064 45.199 45.100 0.057 0.000 0.769 241 G HN 0.529 8.859 8.290 0.065 0.000 0.507 242 E N -1.703 118.545 120.200 0.080 0.000 2.449 242 E HA 0.230 nan 4.350 nan 0.000 0.278 242 E C -1.263 175.377 176.600 0.068 0.000 0.992 242 E CA -1.286 55.164 56.400 0.083 0.000 0.807 242 E CB 3.245 33.028 29.700 0.139 0.000 1.350 242 E HN -0.470 7.922 8.360 0.086 0.019 0.462 243 G N -0.603 108.227 108.800 0.050 0.000 2.521 243 G HA2 0.328 nan 3.960 nan 0.000 0.323 243 G HA3 0.328 nan 3.960 nan 0.000 0.323 243 G C -2.405 172.534 174.900 0.065 0.000 1.211 243 G CA -1.751 43.353 45.100 0.007 0.000 0.979 243 G HN -0.058 8.266 8.290 0.057 0.000 0.490 244 P HA -0.199 nan 4.420 nan 0.000 0.267 244 P C -1.836 175.641 177.300 0.294 0.000 1.201 244 P CA 0.557 63.777 63.100 0.199 0.000 0.775 244 P CB 0.497 32.239 31.700 0.070 0.000 0.854 245 A N 2.550 125.612 122.820 0.404 0.000 2.429 245 A HA 0.144 nan 4.320 nan 0.000 0.289 245 A C -1.813 175.896 177.584 0.209 0.000 1.043 245 A CA -0.762 51.457 52.037 0.304 0.000 0.722 245 A CB 1.712 20.832 19.000 0.201 0.000 1.243 245 A HN 0.177 8.586 8.150 0.433 0.000 0.415 246 L N 4.048 125.315 121.223 0.074 0.000 2.640 246 L HA -0.119 nan 4.340 nan 0.000 0.280 246 L C -1.124 175.604 176.870 -0.237 0.000 1.229 246 L CA 1.525 56.136 54.840 -0.380 0.000 0.919 246 L CB 0.182 42.102 42.059 -0.232 0.000 1.168 246 L HN 0.323 8.678 8.230 0.207 0.000 0.496 247 L N 8.672 129.707 121.223 -0.314 0.000 2.541 247 L HA 0.402 nan 4.340 nan 0.000 0.187 247 L C -1.028 175.687 176.870 -0.258 0.000 1.098 247 L CA 0.551 55.240 54.840 -0.252 0.000 0.846 247 L CB 2.700 44.611 42.059 -0.248 0.000 1.151 247 L HN 0.716 8.664 8.230 -0.469 0.000 0.492 248 I N -3.779 116.652 120.570 -0.230 0.000 2.785 248 I HA 0.142 nan 4.170 nan 0.000 0.293 248 I C -1.954 174.084 176.117 -0.131 0.000 1.446 248 I CA -0.540 60.653 61.300 -0.179 0.000 1.028 248 I CB 2.885 40.773 38.000 -0.187 0.000 1.349 248 I HN -0.425 7.654 8.210 -0.217 0.000 0.438 249 S N 7.650 123.268 115.700 -0.136 0.000 2.753 249 S HA 0.671 nan 4.470 nan 0.000 0.302 249 S C -1.540 173.008 174.600 -0.086 0.000 1.104 249 S CA -1.291 56.816 58.200 -0.154 0.000 0.968 249 S CB 2.097 65.179 63.200 -0.197 0.000 1.278 249 S HN 0.083 8.316 8.310 -0.129 0.000 0.549 250 I N -1.193 119.317 120.570 -0.101 0.000 2.758 250 I HA 0.096 nan 4.170 nan 0.000 0.283 250 I C -2.347 173.719 176.117 -0.084 0.000 1.566 250 I CA 0.584 61.834 61.300 -0.084 0.000 1.084 250 I CB 2.640 40.587 38.000 -0.089 0.000 1.469 250 I HN -0.053 8.052 8.210 -0.175 0.000 0.422 251 L N 6.986 128.176 121.223 -0.056 0.000 2.325 251 L HA 0.550 nan 4.340 nan 0.000 0.279 251 L C 0.959 177.768 176.870 -0.102 0.000 1.054 251 L CA -1.249 53.589 54.840 -0.003 0.000 0.804 251 L CB 1.061 43.148 42.059 0.047 0.000 1.200 251 L HN 0.276 8.481 8.230 -0.041 0.000 0.436 252 S N 2.870 118.554 115.700 -0.027 0.000 2.488 252 S HA -0.391 nan 4.470 nan 0.000 0.246 252 S C 1.054 175.831 174.600 0.294 0.000 0.992 252 S CA 2.909 61.150 58.200 0.069 0.000 0.963 252 S CB -0.019 63.397 63.200 0.360 0.000 0.754 252 S HN 0.691 9.044 8.310 0.071 0.000 0.519 253 V N -7.020 112.999 119.914 0.176 0.000 2.358 253 V HA -0.032 nan 4.120 nan 0.000 0.246 253 V C 0.785 177.001 176.094 0.203 0.000 1.047 253 V CA 0.800 63.206 62.300 0.176 0.000 1.035 253 V CB -0.379 31.512 31.823 0.112 0.000 0.658 253 V HN -0.037 8.148 8.190 0.111 0.072 0.452 254 S N 1.013 116.826 115.700 0.188 0.000 2.598 254 S HA 0.059 nan 4.470 nan 0.000 0.267 254 S C -0.490 174.325 174.600 0.359 0.000 1.189 254 S CA -0.366 57.954 58.200 0.199 0.000 1.010 254 S CB 1.419 64.690 63.200 0.118 0.000 1.084 254 S HN -0.365 8.022 8.310 0.130 0.000 0.541 255 N N -2.989 115.883 118.700 0.287 0.000 2.200 255 N HA 0.100 nan 4.740 nan 0.000 0.233 255 N C -1.767 173.909 175.510 0.278 0.000 1.236 255 N CA 0.929 54.165 53.050 0.310 0.000 0.845 255 N CB 2.579 41.170 38.487 0.173 0.000 1.257 255 N HN 0.193 8.689 8.380 0.194 0.000 0.472 256 K N -2.761 117.733 120.400 0.157 0.000 2.542 256 K HA 0.321 nan 4.320 nan 0.000 0.259 256 K C -2.149 174.424 176.600 -0.045 0.000 0.932 256 K CA -1.028 55.268 56.287 0.014 0.000 0.820 256 K CB 2.900 35.387 32.500 -0.021 0.000 1.345 256 K HN -0.714 7.615 8.250 0.132 0.000 0.432 257 K N 2.835 123.161 120.400 -0.124 0.000 2.323 257 K HA 0.230 nan 4.320 nan 0.000 0.259 257 K C -1.557 174.962 176.600 -0.135 0.000 0.947 257 K CA -1.220 55.008 56.287 -0.097 0.000 0.819 257 K CB 2.676 35.124 32.500 -0.086 0.000 1.109 257 K HN 0.074 8.203 8.250 -0.202 0.000 0.429 258 E N 4.943 125.090 120.200 -0.088 0.000 2.231 258 E HA 0.354 nan 4.350 nan 0.000 0.277 258 E C -1.175 175.404 176.600 -0.036 0.000 0.999 258 E CA -0.657 55.697 56.400 -0.077 0.000 0.827 258 E CB 1.557 31.224 29.700 -0.055 0.000 1.101 258 E HN 0.195 8.519 8.360 -0.060 0.000 0.393 259 D N 3.486 123.881 120.400 -0.008 0.000 2.759 259 D HA 0.137 nan 4.640 nan 0.000 0.321 259 D C -0.819 175.514 176.300 0.054 0.000 1.267 259 D CA -1.182 52.845 54.000 0.045 0.000 0.933 259 D CB 3.044 43.906 40.800 0.103 0.000 1.431 259 D HN -0.324 8.032 8.370 -0.024 0.000 0.504 260 G N -0.850 108.007 108.800 0.095 0.000 2.494 260 G HA2 -0.089 nan 3.960 nan 0.000 0.297 260 G HA3 -0.089 nan 3.960 nan 0.000 0.297 260 G C -0.552 174.330 174.900 -0.031 0.000 0.971 260 G CA 0.583 45.711 45.100 0.046 0.000 1.378 260 G HN 0.231 8.597 8.290 0.127 0.000 0.456 261 R N -0.533 119.900 120.500 -0.112 0.000 3.946 261 R HA -0.539 nan 4.340 nan 0.000 0.329 261 R C -1.937 174.104 176.300 -0.431 0.000 1.209 261 R CA 1.517 57.462 56.100 -0.259 0.000 0.909 261 R CB -2.265 27.849 30.300 -0.310 0.000 1.355 261 R HN -0.050 8.179 8.270 -0.067 0.000 0.539 262 F N -1.895 118.004 119.950 -0.085 0.000 2.460 262 F HA 0.490 nan 4.527 nan 0.000 0.341 262 F C -1.788 173.897 175.800 -0.191 0.000 1.130 262 F CA -1.668 56.255 58.000 -0.129 0.000 0.962 262 F CB 2.411 41.351 39.000 -0.100 0.000 1.171 262 F HN -0.603 7.667 8.300 0.039 0.053 0.436 263 T N 5.516 120.013 114.554 -0.095 0.000 2.881 263 T HA 0.500 nan 4.350 nan 0.000 0.290 263 T C -1.619 172.827 174.700 -0.424 0.000 1.000 263 T CA -0.686 61.221 62.100 -0.321 0.000 0.978 263 T CB 2.336 70.896 68.868 -0.513 0.000 0.997 263 T HN 0.746 8.946 8.240 -0.066 0.000 0.443 264 I N 5.051 125.379 120.570 -0.403 0.000 2.306 264 I HA 0.447 nan 4.170 nan 0.000 0.288 264 I C -1.085 174.894 176.117 -0.231 0.000 1.036 264 I CA -0.999 60.126 61.300 -0.291 0.000 1.221 264 I CB 0.773 38.672 38.000 -0.168 0.000 1.385 264 I HN 0.112 8.118 8.210 -0.339 0.000 0.472 265 F N 8.238 128.231 119.950 0.071 0.000 2.420 265 F HA 0.383 nan 4.527 nan 0.000 0.352 265 F C -1.723 174.186 175.800 0.182 0.000 1.108 265 F CA -0.995 57.053 58.000 0.079 0.000 1.162 265 F CB 1.008 40.016 39.000 0.014 0.000 1.118 265 F HN 0.518 8.857 8.300 0.064 0.000 0.510 266 F N 6.476 126.536 119.950 0.182 0.000 2.556 266 F HA 0.461 nan 4.527 nan 0.000 0.314 266 F C -2.433 173.410 175.800 0.072 0.000 1.106 266 F CA -1.646 56.400 58.000 0.077 0.000 0.911 266 F CB 4.039 43.033 39.000 -0.009 0.000 1.190 266 F HN 0.671 9.217 8.300 0.410 0.000 0.448 267 N N 6.859 125.081 118.700 -0.797 0.000 2.540 267 N HA 0.212 nan 4.740 nan 0.000 0.275 267 N C -0.398 174.612 175.510 -0.834 0.000 1.053 267 N CA -1.649 50.980 53.050 -0.701 0.000 0.876 267 N CB 1.204 39.517 38.487 -0.289 0.000 1.284 267 N HN 0.291 8.365 8.380 -0.510 0.000 0.518 268 K N 6.681 126.538 120.400 -0.904 0.000 2.002 268 K HA -0.297 nan 4.320 nan 0.000 0.209 268 K C 2.187 178.709 176.600 -0.129 0.000 1.048 268 K CA 2.329 58.422 56.287 -0.324 0.000 0.930 268 K CB 0.063 32.564 32.500 0.001 0.000 0.714 268 K HN 0.648 8.343 8.250 -0.925 0.000 0.438 269 R N -1.653 118.769 120.500 -0.130 0.000 2.096 269 R HA -0.291 nan 4.340 nan 0.000 0.240 269 R C 1.213 177.451 176.300 -0.104 0.000 1.139 269 R CA 2.947 58.998 56.100 -0.082 0.000 0.952 269 R CB 0.068 30.324 30.300 -0.073 0.000 0.854 269 R HN -0.328 7.890 8.270 -0.162 -0.046 0.436 270 E N -4.236 115.879 120.200 -0.142 0.000 2.465 270 E HA 0.074 nan 4.350 nan 0.000 0.191 270 E C -0.868 175.617 176.600 -0.192 0.000 1.053 270 E CA -0.565 55.752 56.400 -0.138 0.000 0.869 270 E CB 0.353 29.986 29.700 -0.112 0.000 0.977 270 E HN -0.676 7.904 8.360 -0.169 -0.321 0.483 271 K N -3.146 117.100 120.400 -0.256 0.000 3.078 271 K HA -0.427 nan 4.320 nan 0.000 0.261 271 K C -1.489 174.914 176.600 -0.328 0.000 0.947 271 K CA 1.048 57.051 56.287 -0.473 0.000 0.702 271 K CB -2.201 29.786 32.500 -0.854 0.000 1.318 271 K HN -0.294 7.616 8.250 -0.216 0.210 0.473 272 K N -3.911 116.418 120.400 -0.118 0.000 2.443 272 K HA 0.802 nan 4.320 nan 0.000 0.252 272 K C -1.590 175.072 176.600 0.104 0.000 0.933 272 K CA -1.235 55.065 56.287 0.023 0.000 0.792 272 K CB 3.191 35.693 32.500 0.003 0.000 1.185 272 K HN -0.707 7.427 8.250 -0.163 0.019 0.425 273 L N -0.861 120.504 121.223 0.237 0.000 2.277 273 L HA 0.975 nan 4.340 nan 0.000 0.254 273 L C -2.068 175.038 176.870 0.393 0.000 1.044 273 L CA -1.876 53.161 54.840 0.329 0.000 0.842 273 L CB 3.624 45.920 42.059 0.395 0.000 1.422 273 L HN 0.703 9.089 8.230 0.259 0.000 0.422 274 S N -4.495 111.437 115.700 0.387 0.000 2.537 274 S HA 0.586 nan 4.470 nan 0.000 0.271 274 S C -2.386 172.175 174.600 -0.064 0.000 1.148 274 S CA -0.600 57.758 58.200 0.264 0.000 0.868 274 S CB 3.152 66.502 63.200 0.249 0.000 1.115 274 S HN 0.810 9.244 8.310 0.360 0.091 0.461 275 L N 1.859 122.736 121.223 -0.576 0.000 2.275 275 L HA 0.543 nan 4.340 nan 0.000 0.288 275 L C -2.075 174.579 176.870 -0.361 0.000 1.046 275 L CA -0.992 53.386 54.840 -0.769 0.000 0.805 275 L CB 1.945 43.211 42.059 -1.322 0.000 1.193 275 L HN 0.758 8.556 8.230 -0.555 0.100 0.426 276 H N 6.310 125.232 119.070 -0.247 0.000 2.587 276 H HA 0.451 nan 4.556 nan 0.000 0.325 276 H C -1.023 174.208 175.328 -0.161 0.000 1.012 276 H CA -0.882 55.090 56.048 -0.126 0.000 1.213 276 H CB 1.969 31.733 29.762 0.003 0.000 1.431 276 H HN 0.875 9.105 8.280 -0.083 0.000 0.492 277 I N 6.391 126.887 120.570 -0.124 0.000 2.310 277 I HA 0.151 nan 4.170 nan 0.000 0.287 277 I C -1.402 174.585 176.117 -0.216 0.000 1.073 277 I CA -1.093 60.055 61.300 -0.254 0.000 1.216 277 I CB -0.305 37.548 38.000 -0.245 0.000 1.415 277 I HN 0.496 8.609 8.210 -0.162 0.000 0.480 278 A N 7.367 130.052 122.820 -0.224 0.000 2.445 278 A HA -0.058 nan 4.320 nan 0.000 0.242 278 A C -0.963 176.521 177.584 -0.166 0.000 1.075 278 A CA 0.059 52.012 52.037 -0.141 0.000 0.777 278 A CB 0.590 19.519 19.000 -0.117 0.000 1.013 278 A HN 0.752 8.631 8.150 -0.285 0.101 0.493 279 D N 0.331 120.676 120.400 -0.092 0.000 2.697 279 D HA -0.456 nan 4.640 nan 0.000 0.235 279 D C -0.905 175.350 176.300 -0.074 0.000 1.167 279 D CA 0.614 54.572 54.000 -0.069 0.000 0.656 279 D CB -1.070 39.689 40.800 -0.069 0.000 1.025 279 D HN 0.562 8.896 8.370 -0.060 0.000 0.419 280 S N -0.085 115.579 115.700 -0.060 0.000 2.737 280 S HA -0.216 nan 4.470 nan 0.000 0.315 280 S C -0.560 174.048 174.600 0.013 0.000 1.236 280 S CA 2.196 60.373 58.200 -0.039 0.000 1.093 280 S CB 0.183 63.371 63.200 -0.020 0.000 0.832 280 S HN -0.287 7.993 8.310 -0.049 0.000 0.507 281 Q N 6.752 126.568 119.800 0.026 0.000 2.235 281 Q HA 0.440 nan 4.340 nan 0.000 0.256 281 Q C -1.218 174.840 176.000 0.097 0.000 0.951 281 Q CA -3.452 52.386 55.803 0.059 0.000 0.890 281 Q CB 1.319 30.091 28.738 0.055 0.000 1.279 281 Q HN 0.078 8.688 8.270 0.011 -0.332 0.444 282 P HA -0.158 nan 4.420 nan 0.000 0.227 282 P C -0.287 177.099 177.300 0.144 0.000 1.145 282 P CA 1.778 64.944 63.100 0.110 0.000 0.769 282 P CB -0.131 31.625 31.700 0.092 0.000 0.769 283 G N -3.291 105.604 108.800 0.159 0.000 2.408 283 G HA2 -0.266 nan 3.960 nan 0.000 0.215 283 G HA3 -0.266 nan 3.960 nan 0.000 0.215 283 G C 0.215 175.330 174.900 0.357 0.000 1.156 283 G CA 0.856 46.085 45.100 0.216 0.000 0.793 283 G HN -0.071 8.222 8.290 0.133 0.076 0.535 284 D N 0.840 121.425 120.400 0.308 0.000 2.390 284 D HA -0.034 nan 4.640 nan 0.000 0.235 284 D C -0.259 176.230 176.300 0.315 0.000 1.040 284 D CA 0.732 54.956 54.000 0.374 0.000 0.923 284 D CB -0.771 40.210 40.800 0.301 0.000 0.886 284 D HN -0.002 8.392 8.370 0.228 0.114 0.532 285 S N 1.591 117.443 115.700 0.254 0.000 2.503 285 S HA -0.148 nan 4.470 nan 0.000 0.317 285 S C -1.505 173.158 174.600 0.105 0.000 1.162 285 S CA 1.142 59.449 58.200 0.178 0.000 1.124 285 S CB -0.368 62.920 63.200 0.147 0.000 1.207 285 S HN -0.743 7.625 8.310 0.267 0.102 0.538 286 A N 5.597 128.438 122.820 0.035 0.000 2.535 286 A HA 0.636 nan 4.320 nan 0.000 0.296 286 A C -2.221 175.274 177.584 -0.148 0.000 1.248 286 A CA -0.834 51.020 52.037 -0.304 0.000 0.686 286 A CB 3.108 21.494 19.000 -1.023 0.000 1.315 286 A HN -0.467 7.832 8.150 0.250 0.000 0.460 287 T N 0.775 115.127 114.554 -0.336 0.000 2.771 287 T HA 0.679 nan 4.350 nan 0.000 0.281 287 T C -1.166 173.252 174.700 -0.470 0.000 0.982 287 T CA -0.467 61.476 62.100 -0.262 0.000 0.978 287 T CB 0.355 69.058 68.868 -0.275 0.000 0.930 287 T HN 0.163 8.025 8.240 -0.441 0.113 0.447 288 Y N 4.690 124.849 120.300 -0.235 0.000 2.331 288 Y HA 0.516 nan 4.550 nan 0.000 0.338 288 Y C -1.112 174.714 175.900 -0.122 0.000 0.992 288 Y CA -2.257 55.826 58.100 -0.028 0.000 1.121 288 Y CB 1.729 40.289 38.460 0.166 0.000 1.184 288 Y HN 0.769 9.146 8.280 0.161 0.000 0.469 289 F N 2.727 122.869 119.950 0.321 0.000 2.436 289 F HA 0.385 nan 4.527 nan 0.000 0.340 289 F C -1.408 174.325 175.800 -0.112 0.000 1.113 289 F CA -1.097 57.027 58.000 0.206 0.000 1.022 289 F CB 2.608 41.867 39.000 0.431 0.000 1.128 289 F HN 0.772 9.342 8.300 0.449 0.000 0.466 290 c N 6.418 124.845 118.600 -0.287 0.000 2.273 290 c HA 0.800 nan 4.570 nan 0.000 0.328 290 c C -1.863 171.922 174.090 -0.508 0.000 1.275 290 c CA -2.521 53.221 56.329 -0.978 0.000 1.704 290 c CB 0.257 42.049 42.510 -1.197 0.000 2.326 290 c HN 0.521 9.047 8.230 -0.056 -0.330 0.517 291 A N 7.059 129.506 122.820 -0.621 0.000 2.380 291 A HA 0.762 nan 4.320 nan 0.000 0.315 291 A C -2.322 174.902 177.584 -0.600 0.000 1.101 291 A CA -1.818 49.809 52.037 -0.684 0.000 0.771 291 A CB 2.952 21.222 19.000 -1.216 0.000 1.287 291 A HN 0.436 8.172 8.150 -0.690 0.000 0.436 292 A N 1.046 123.454 122.820 -0.687 0.000 2.435 292 A HA 0.773 nan 4.320 nan 0.000 0.304 292 A C -2.485 174.398 177.584 -1.169 0.000 1.064 292 A CA -1.225 50.194 52.037 -1.029 0.000 0.727 292 A CB 3.121 21.401 19.000 -1.200 0.000 1.284 292 A HN 0.791 8.442 8.150 -0.649 0.110 0.415 293 S N 0.433 115.510 115.700 -1.038 0.000 2.569 293 S HA 0.614 nan 4.470 nan 0.000 0.280 293 S C -0.322 174.028 174.600 -0.417 0.000 1.111 293 S CA -3.037 54.824 58.200 -0.565 0.000 0.887 293 S CB 1.906 65.041 63.200 -0.109 0.000 1.095 293 S HN 0.577 8.105 8.310 -1.148 0.094 0.476 294 A N 3.188 125.951 122.820 -0.094 0.000 2.169 294 A HA 0.170 nan 4.320 nan 0.000 0.212 294 A C -1.030 176.559 177.584 0.008 0.000 1.153 294 A CA 0.857 52.944 52.037 0.083 0.000 0.756 294 A CB 0.309 19.402 19.000 0.156 0.000 0.813 294 A HN 0.876 8.980 8.150 -0.076 0.000 0.471 295 S N -5.471 110.211 115.700 -0.029 0.000 2.608 295 S HA 0.000 nan 4.470 nan 0.000 0.285 295 S C -2.328 172.228 174.600 -0.073 0.000 1.108 295 S CA -0.302 57.879 58.200 -0.031 0.000 0.858 295 S CB 1.169 64.349 63.200 -0.034 0.000 1.077 295 S HN -0.388 7.851 8.310 -0.046 0.044 0.450 296 F N 2.058 121.826 119.950 -0.303 0.000 2.450 296 F HA 0.329 nan 4.527 nan 0.000 0.332 296 F C 0.637 176.278 175.800 -0.266 0.000 1.093 296 F CA -0.946 56.769 58.000 -0.475 0.000 1.003 296 F CB 1.459 39.965 39.000 -0.822 0.000 1.151 296 F HN 0.134 8.427 8.300 -0.013 0.000 0.474 297 G N 7.437 115.620 108.800 -1.028 0.000 4.240 297 G HA2 -0.326 nan 3.960 nan 0.000 0.254 297 G HA3 -0.326 nan 3.960 nan 0.000 0.254 297 G C -1.080 173.586 174.900 -0.391 0.000 1.712 297 G CA -0.212 44.495 45.100 -0.655 0.000 1.374 297 G HN 0.387 7.826 8.290 -1.418 0.000 0.631 298 D N 5.680 125.934 120.400 -0.243 0.000 2.339 298 D HA -0.100 nan 4.640 nan 0.000 0.256 298 D C -0.140 176.071 176.300 -0.147 0.000 1.214 298 D CA -0.723 53.181 54.000 -0.160 0.000 0.877 298 D CB -0.308 40.432 40.800 -0.101 0.000 1.111 298 D HN -0.117 8.124 8.370 -0.215 0.000 0.478 299 N N 4.152 122.773 118.700 -0.132 0.000 2.292 299 N HA -0.267 nan 4.740 nan 0.000 0.284 299 N C -0.668 174.805 175.510 -0.062 0.000 1.387 299 N CA 1.182 54.173 53.050 -0.099 0.000 0.961 299 N CB -0.366 38.075 38.487 -0.077 0.000 1.356 299 N HN 0.233 8.533 8.380 -0.134 0.000 0.491 300 S N 4.263 119.929 115.700 -0.057 0.000 2.640 300 S HA 0.083 nan 4.470 nan 0.000 0.320 300 S C -1.003 173.586 174.600 -0.019 0.000 1.097 300 S CA -0.570 57.615 58.200 -0.025 0.000 1.092 300 S CB 1.922 65.112 63.200 -0.018 0.000 0.988 300 S HN -0.236 8.028 8.310 -0.077 0.000 0.470 301 K N 5.108 125.507 120.400 -0.002 0.000 2.559 301 K HA -0.259 nan 4.320 nan 0.000 0.279 301 K C -0.549 176.042 176.600 -0.015 0.000 0.967 301 K CA 0.678 56.969 56.287 0.008 0.000 1.000 301 K CB 0.550 33.064 32.500 0.024 0.000 0.890 301 K HN 0.227 8.480 8.250 0.005 0.000 0.501 302 L N 3.327 124.543 121.223 -0.011 0.000 2.278 302 L HA 0.143 nan 4.340 nan 0.000 0.287 302 L C -0.851 175.979 176.870 -0.066 0.000 1.072 302 L CA -0.336 54.435 54.840 -0.114 0.000 0.819 302 L CB 0.734 42.719 42.059 -0.124 0.000 1.176 302 L HN -0.006 8.245 8.230 0.035 0.000 0.435 303 I N 7.190 127.639 120.570 -0.201 0.000 2.301 303 I HA 0.103 nan 4.170 nan 0.000 0.292 303 I C -0.921 175.138 176.117 -0.098 0.000 1.046 303 I CA -1.867 59.404 61.300 -0.048 0.000 1.282 303 I CB -1.555 36.452 38.000 0.013 0.000 1.409 303 I HN 0.826 8.804 8.210 -0.388 0.000 0.484 304 W N 7.317 128.539 121.300 -0.131 0.000 2.253 304 W HA 0.233 nan 4.660 nan 0.000 0.348 304 W C -0.406 176.097 176.519 -0.026 0.000 1.229 304 W CA -0.624 56.648 57.345 -0.122 0.000 1.335 304 W CB 1.098 30.440 29.460 -0.197 0.000 1.165 304 W HN 0.080 8.523 8.180 0.440 0.000 0.631 305 G N -2.252 106.713 108.800 0.276 0.000 2.488 305 G HA2 0.244 nan 3.960 nan 0.000 0.318 305 G HA3 0.244 nan 3.960 nan 0.000 0.318 305 G C -0.714 174.386 174.900 0.335 0.000 1.188 305 G CA -1.223 44.006 45.100 0.216 0.000 0.944 305 G HN 0.186 8.654 8.290 0.297 0.000 0.495 306 L N -1.460 119.898 121.223 0.226 0.000 2.376 306 L HA -0.055 nan 4.340 nan 0.000 0.219 306 L C 0.820 177.826 176.870 0.228 0.000 1.133 306 L CA 0.518 55.494 54.840 0.227 0.000 0.816 306 L CB -0.840 41.295 42.059 0.127 0.000 0.933 306 L HN 0.401 8.729 8.230 0.164 0.000 0.449 307 G N -2.950 105.914 108.800 0.107 0.000 2.675 307 G HA2 -0.264 nan 3.960 nan 0.000 0.686 307 G HA3 -0.264 nan 3.960 nan 0.000 0.686 307 G C -1.498 173.331 174.900 -0.119 0.000 1.215 307 G CA -0.825 44.131 45.100 -0.240 0.000 0.777 307 G HN -0.750 7.729 8.290 0.147 -0.101 0.638 308 T N 3.499 117.995 114.554 -0.097 0.000 2.864 308 T HA 0.403 nan 4.350 nan 0.000 0.299 308 T C -0.432 174.277 174.700 0.015 0.000 1.011 308 T CA -0.474 61.630 62.100 0.006 0.000 0.975 308 T CB 1.520 70.443 68.868 0.092 0.000 0.962 308 T HN 0.206 8.361 8.240 -0.141 0.000 0.448 309 S N 7.289 122.982 115.700 -0.011 0.000 2.584 309 S HA 0.807 nan 4.470 nan 0.000 0.273 309 S C -1.353 173.269 174.600 0.037 0.000 1.311 309 S CA -0.401 57.804 58.200 0.009 0.000 1.034 309 S CB 1.060 64.251 63.200 -0.016 0.000 0.939 309 S HN 0.903 9.200 8.310 -0.022 0.000 0.513 310 L N 3.088 124.357 121.223 0.076 0.000 2.333 310 L HA 0.808 nan 4.340 nan 0.000 0.263 310 L C -2.015 174.879 176.870 0.041 0.000 1.014 310 L CA -0.871 53.994 54.840 0.041 0.000 0.820 310 L CB 3.846 45.926 42.059 0.035 0.000 1.352 310 L HN 0.145 8.438 8.230 0.106 0.000 0.421 311 V N 3.588 123.507 119.914 0.008 0.000 2.697 311 V HA 0.286 nan 4.120 nan 0.000 0.300 311 V C -2.171 173.917 176.094 -0.010 0.000 1.115 311 V CA -0.344 61.962 62.300 0.009 0.000 0.912 311 V CB 3.399 35.213 31.823 -0.015 0.000 1.024 311 V HN -0.102 8.076 8.190 -0.020 0.000 0.431 312 V N 7.450 127.379 119.914 0.027 0.000 2.294 312 V HA 0.293 nan 4.120 nan 0.000 0.272 312 V C -1.061 175.067 176.094 0.057 0.000 1.027 312 V CA -1.273 61.049 62.300 0.036 0.000 0.823 312 V CB 0.026 31.888 31.823 0.065 0.000 1.030 312 V HN 0.081 8.304 8.190 0.055 0.000 0.457 313 N N 9.542 128.260 118.700 0.031 0.000 2.530 313 N HA 0.183 nan 4.740 nan 0.000 0.273 313 N C -2.294 173.368 175.510 0.253 0.000 1.173 313 N CA -0.771 52.332 53.050 0.088 0.000 0.967 313 N CB 1.093 39.551 38.487 -0.048 0.000 1.109 313 N HN 0.461 8.719 8.380 -0.044 0.095 0.453 314 P HA 0.000 nan 4.420 nan 0.000 0.216 314 P CA 0.000 63.216 63.100 0.194 0.000 0.800 314 P CB 0.000 31.773 31.700 0.122 0.000 0.726