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 3g3q_1_A DATA FIRST_RESID 193 DATA SEQUENCE NFVRQTTKYW VHPDNITELK LIILKHLPVL VFNTNKEFER EDSAITSIYF DATA SEQUENCE DNENLDLYYG RLRKDEGAEA HRLRWYGGMS TDTIFVERKT HREDWTGEKS DATA SEQUENCE VKARFALKER HVNDFLKGKY TVDQVFAKMR KEGKKPMNEI ENLEALASEI DATA SEQUENCE QYVMLKKKLR PVVRSFYNRT AFQLPGDARV RISLDTELTM VREDNFDGVD DATA SEQUENCE RTHKNWRRTD IGVDWPFKQL DDKDICRFPY AVLEVKLQTQ LGQEPPEWVR DATA SEQUENCE ELVGSHLVEP VPKFSKFIHG VATLLNDKVD SIPFWL 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 193 N HA 0.000 nan 4.740 nan 0.000 0.220 193 N C 0.000 175.574 175.510 0.107 0.000 1.280 193 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 193 N CB 0.000 38.395 38.487 -0.154 0.000 1.341 194 F N -1.554 118.395 119.950 -0.001 0.000 2.668 194 F HA 0.765 5.291 4.527 -0.000 0.000 0.309 194 F C -1.260 174.538 175.800 -0.004 0.000 1.117 194 F CA -0.936 57.062 58.000 -0.003 0.000 0.951 194 F CB 0.829 39.828 39.000 -0.002 0.000 1.323 194 F HN 0.075 nan 8.300 nan 0.000 0.451 195 V N 1.447 121.479 119.914 0.197 0.000 2.435 195 V HA 0.912 5.032 4.120 -0.000 0.000 0.290 195 V C 0.198 176.385 176.094 0.155 0.000 1.030 195 V CA -0.432 61.928 62.300 0.099 0.000 0.881 195 V CB 1.056 32.909 31.823 0.049 0.000 0.983 195 V HN 1.198 nan 8.190 nan 0.000 0.445 196 R N 3.333 123.902 120.500 0.116 0.000 2.720 196 R HA 0.947 5.287 4.340 -0.000 0.000 0.272 196 R C -0.367 175.965 176.300 0.053 0.000 0.991 196 R CA -0.394 55.769 56.100 0.106 0.000 1.010 196 R CB 1.484 31.857 30.300 0.121 0.000 1.141 196 R HN 0.987 nan 8.270 nan 0.000 0.494 197 Q N -0.853 118.973 119.800 0.043 0.000 2.666 197 Q HA 0.545 4.885 4.340 -0.000 0.000 0.276 197 Q C -1.270 174.743 176.000 0.021 0.000 0.952 197 Q CA -0.473 55.344 55.803 0.023 0.000 0.850 197 Q CB 1.650 30.395 28.738 0.011 0.000 1.512 197 Q HN 0.965 nan 8.270 nan 0.000 0.395 198 T N -0.918 113.644 114.554 0.013 0.000 2.916 198 T HA 0.826 5.175 4.350 -0.000 0.000 0.305 198 T C -0.823 173.867 174.700 -0.018 0.000 1.119 198 T CA -0.425 61.684 62.100 0.015 0.000 1.008 198 T CB 2.138 71.022 68.868 0.026 0.000 1.129 198 T HN 0.634 nan 8.240 nan 0.000 0.480 199 T N 2.172 116.713 114.554 -0.021 0.000 2.912 199 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 199 T C -0.987 173.580 174.700 -0.222 0.000 1.052 199 T CA -1.042 60.952 62.100 -0.177 0.000 0.996 199 T CB 1.814 70.528 68.868 -0.257 0.000 1.070 199 T HN 0.711 nan 8.240 nan 0.000 0.465 200 K N 1.664 121.826 120.400 -0.397 0.000 2.270 200 K HA 0.658 4.978 4.320 -0.000 0.000 0.255 200 K C -1.349 174.924 176.600 -0.546 0.000 0.936 200 K CA -0.785 55.344 56.287 -0.263 0.000 0.809 200 K CB 1.717 34.157 32.500 -0.101 0.000 1.131 200 K HN 0.587 nan 8.250 nan 0.000 0.427 201 Y N 0.038 120.262 120.300 -0.126 0.000 2.602 201 Y HA 0.449 4.999 4.550 -0.000 0.000 0.342 201 Y C -0.512 175.356 175.900 -0.054 0.000 1.029 201 Y CA -1.248 56.749 58.100 -0.172 0.000 1.080 201 Y CB 1.358 39.757 38.460 -0.102 0.000 1.284 201 Y HN 0.398 nan 8.280 nan 0.000 0.485 202 W N 1.314 122.558 121.300 -0.093 0.000 2.496 202 W HA 0.647 5.307 4.660 -0.000 0.000 0.327 202 W C -1.182 175.266 176.519 -0.119 0.000 1.086 202 W CA -1.452 55.786 57.345 -0.178 0.000 1.222 202 W CB 1.381 30.603 29.460 -0.396 0.000 1.304 202 W HN 0.073 nan 8.180 nan 0.000 0.547 203 V N 3.714 123.732 119.914 0.173 0.000 2.407 203 V HA 0.112 4.232 4.120 -0.000 0.000 0.291 203 V C 0.334 176.532 176.094 0.172 0.000 1.018 203 V CA -1.073 61.297 62.300 0.117 0.000 0.842 203 V CB 1.026 32.896 31.823 0.078 0.000 0.996 203 V HN 0.438 nan 8.190 nan 0.000 0.426 204 H N 7.241 126.370 119.070 0.097 0.000 2.897 204 H HA 0.097 4.653 4.556 -0.000 0.000 0.347 204 H C -1.767 173.635 175.328 0.122 0.000 1.068 204 H CA -1.034 55.129 56.048 0.191 0.000 1.426 204 H CB 2.040 31.886 29.762 0.140 0.000 1.410 204 H HN 0.339 nan 8.280 nan 0.000 0.597 205 P HA -0.161 nan 4.420 nan 0.000 0.217 205 P C 0.810 178.199 177.300 0.148 0.000 1.148 205 P CA 1.385 64.482 63.100 -0.004 0.000 0.834 205 P CB 0.327 31.953 31.700 -0.124 0.000 0.783 206 D N -1.614 119.010 120.400 0.372 0.000 2.219 206 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 206 D C 1.397 177.787 176.300 0.151 0.000 0.970 206 D CA 0.936 55.084 54.000 0.248 0.000 0.851 206 D CB -0.667 40.273 40.800 0.233 0.000 0.943 206 D HN 0.351 nan 8.370 nan 0.000 0.488 207 N N -0.046 118.748 118.700 0.155 0.000 2.254 207 N HA 0.116 4.856 4.740 -0.000 0.000 0.190 207 N C 1.798 177.331 175.510 0.039 0.000 1.107 207 N CA -0.139 52.953 53.050 0.070 0.000 0.869 207 N CB 1.043 39.552 38.487 0.037 0.000 0.983 207 N HN 0.171 nan 8.380 nan 0.000 0.487 208 I N 1.844 122.449 120.570 0.058 0.000 2.069 208 I HA -0.326 3.843 4.170 -0.000 0.000 0.237 208 I C 2.593 178.721 176.117 0.019 0.000 1.053 208 I CA 1.767 63.089 61.300 0.035 0.000 1.311 208 I CB -0.992 37.032 38.000 0.040 0.000 1.030 208 I HN 0.214 nan 8.210 nan 0.000 0.398 209 T N -1.216 113.354 114.554 0.026 0.000 2.699 209 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 209 T C 1.650 176.351 174.700 0.001 0.000 1.036 209 T CA 1.824 63.935 62.100 0.018 0.000 1.147 209 T CB -0.597 68.286 68.868 0.024 0.000 0.862 209 T HN 0.505 nan 8.240 nan 0.000 0.446 210 E N 0.848 121.048 120.200 -0.000 0.000 2.015 210 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 210 E C 2.233 178.808 176.600 -0.042 0.000 0.991 210 E CA 1.099 57.489 56.400 -0.016 0.000 0.802 210 E CB -0.285 29.411 29.700 -0.008 0.000 0.759 210 E HN 0.418 nan 8.360 nan 0.000 0.447 211 L N 1.777 122.969 121.223 -0.051 0.000 2.013 211 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 211 L C 2.390 179.197 176.870 -0.104 0.000 1.073 211 L CA 2.297 57.090 54.840 -0.079 0.000 0.753 211 L CB -0.514 41.498 42.059 -0.078 0.000 0.890 211 L HN 0.061 nan 8.230 nan 0.000 0.432 212 K N -0.808 119.547 120.400 -0.076 0.000 2.103 212 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 212 K C 2.074 178.611 176.600 -0.105 0.000 1.048 212 K CA 1.867 58.103 56.287 -0.084 0.000 0.930 212 K CB -0.223 32.289 32.500 0.020 0.000 0.716 212 K HN 0.458 nan 8.250 nan 0.000 0.444 213 L N 0.620 121.798 121.223 -0.076 0.000 2.072 213 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 213 L C 2.259 179.046 176.870 -0.139 0.000 1.079 213 L CA 0.927 55.716 54.840 -0.086 0.000 0.752 213 L CB -0.340 41.682 42.059 -0.062 0.000 0.906 213 L HN 0.209 nan 8.230 nan 0.000 0.436 214 I N -0.064 120.431 120.570 -0.126 0.000 2.208 214 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 214 I C 2.422 178.413 176.117 -0.210 0.000 1.097 214 I CA 1.628 62.851 61.300 -0.128 0.000 1.363 214 I CB -0.413 37.559 38.000 -0.045 0.000 1.051 214 I HN 0.213 nan 8.210 nan 0.000 0.413 215 I N 0.741 121.165 120.570 -0.243 0.000 2.179 215 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 215 I C 2.489 178.391 176.117 -0.359 0.000 1.088 215 I CA 1.501 62.583 61.300 -0.363 0.000 1.357 215 I CB -0.340 37.274 38.000 -0.644 0.000 1.051 215 I HN 0.176 nan 8.210 nan 0.000 0.409 216 L N 0.447 121.516 121.223 -0.257 0.000 2.265 216 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 216 L C 2.466 179.214 176.870 -0.203 0.000 1.117 216 L CA 1.058 55.835 54.840 -0.106 0.000 0.782 216 L CB -0.501 41.548 42.059 -0.016 0.000 0.914 216 L HN 0.167 nan 8.230 nan 0.000 0.441 217 K N -0.424 119.770 120.400 -0.343 0.000 2.103 217 K HA -0.190 4.129 4.320 -0.000 0.000 0.207 217 K C 1.731 177.915 176.600 -0.694 0.000 1.048 217 K CA 1.693 57.662 56.287 -0.530 0.000 0.930 217 K CB -0.012 32.065 32.500 -0.706 0.000 0.716 217 K HN 0.452 nan 8.250 nan 0.000 0.444 218 H N -2.197 116.563 119.070 -0.517 0.000 2.788 218 H HA 0.311 4.866 4.556 -0.000 0.000 0.262 218 H C -0.463 174.719 175.328 -0.244 0.000 0.968 218 H CA 0.011 55.747 56.048 -0.521 0.000 1.218 218 H CB 0.779 29.840 29.762 -1.168 0.000 1.443 218 H HN -0.086 nan 8.280 nan 0.000 0.478 219 L N 2.533 123.709 121.223 -0.079 0.000 2.353 219 L HA 0.403 4.742 4.340 -0.000 0.000 0.270 219 L C -2.672 174.293 176.870 0.158 0.000 1.003 219 L CA -2.235 52.663 54.840 0.096 0.000 0.862 219 L CB 1.993 44.176 42.059 0.208 0.000 1.221 219 L HN -0.119 nan 8.230 nan 0.000 0.430 220 P HA 0.019 nan 4.420 nan 0.000 0.269 220 P C -0.332 177.043 177.300 0.126 0.000 1.215 220 P CA -0.314 62.847 63.100 0.101 0.000 0.780 220 P CB 0.605 32.332 31.700 0.045 0.000 0.898 221 V N 0.588 120.536 119.914 0.056 0.000 2.740 221 V HA 0.127 4.246 4.120 -0.000 0.000 0.303 221 V C 0.207 176.258 176.094 -0.071 0.000 1.054 221 V CA -0.351 61.886 62.300 -0.105 0.000 1.106 221 V CB -0.477 31.247 31.823 -0.164 0.000 0.957 221 V HN 0.241 nan 8.190 nan 0.000 0.486 222 L N 4.223 125.376 121.223 -0.117 0.000 2.313 222 L HA 0.227 4.566 4.340 -0.000 0.000 0.282 222 L C 1.166 178.029 176.870 -0.012 0.000 1.092 222 L CA -0.262 54.554 54.840 -0.040 0.000 0.831 222 L CB 1.386 43.422 42.059 -0.039 0.000 1.159 222 L HN 0.655 nan 8.230 nan 0.000 0.442 223 V N 4.346 124.300 119.914 0.067 0.000 2.273 223 V HA -0.242 3.878 4.120 -0.000 0.000 0.242 223 V C 1.522 177.841 176.094 0.376 0.000 1.035 223 V CA 1.986 64.374 62.300 0.147 0.000 1.013 223 V CB -0.649 31.240 31.823 0.110 0.000 0.652 223 V HN 1.032 nan 8.190 nan 0.000 0.452 224 F N 0.090 120.022 119.950 -0.030 0.000 2.635 224 F HA -0.304 4.223 4.527 -0.000 0.000 0.502 224 F C 0.303 176.078 175.800 -0.042 0.000 0.538 224 F CA 1.591 59.562 58.000 -0.048 0.000 1.064 224 F CB -1.899 37.055 39.000 -0.077 0.000 1.751 224 F HN 0.371 nan 8.300 nan 0.000 0.268 225 N N 1.333 119.972 118.700 -0.102 0.000 2.467 225 N HA 0.169 4.909 4.740 -0.000 0.000 0.278 225 N C -0.204 175.257 175.510 -0.083 0.000 1.306 225 N CA 0.664 53.547 53.050 -0.278 0.000 0.905 225 N CB 0.107 38.546 38.487 -0.080 0.000 1.236 225 N HN 0.571 nan 8.380 nan 0.000 0.509 226 T N -0.658 113.859 114.554 -0.061 0.000 3.182 226 T HA 0.266 4.615 4.350 -0.000 0.000 0.274 226 T C 0.515 175.194 174.700 -0.036 0.000 0.997 226 T CA -0.196 61.893 62.100 -0.018 0.000 1.082 226 T CB -0.222 68.644 68.868 -0.003 0.000 1.005 226 T HN 0.427 nan 8.240 nan 0.000 0.688 227 N N 1.360 120.044 118.700 -0.027 0.000 2.493 227 N HA 0.017 4.757 4.740 -0.000 0.000 0.313 227 N C -0.637 174.865 175.510 -0.013 0.000 0.648 227 N CA -0.189 52.845 53.050 -0.027 0.000 0.686 227 N CB -0.117 38.340 38.487 -0.050 0.000 2.364 227 N HN 0.586 nan 8.380 nan 0.000 1.326 228 K N 2.727 123.118 120.400 -0.015 0.000 2.211 228 K HA 0.389 4.709 4.320 -0.000 0.000 0.275 228 K C 0.319 176.934 176.600 0.026 0.000 1.024 228 K CA -0.706 55.582 56.287 0.001 0.000 0.887 228 K CB 1.257 33.753 32.500 -0.008 0.000 1.084 228 K HN 0.254 nan 8.250 nan 0.000 0.463 229 E N 3.533 123.756 120.200 0.039 0.000 2.485 229 E HA -0.156 4.193 4.350 -0.000 0.000 0.266 229 E C -0.553 176.112 176.600 0.108 0.000 1.137 229 E CA -0.314 56.134 56.400 0.080 0.000 1.010 229 E CB 0.199 29.944 29.700 0.074 0.000 0.986 229 E HN 0.653 nan 8.360 nan 0.000 0.460 230 F N 0.812 120.778 119.950 0.027 0.000 2.607 230 F HA 0.075 4.602 4.527 -0.000 0.000 0.374 230 F C 0.234 176.059 175.800 0.042 0.000 1.104 230 F CA 0.603 58.625 58.000 0.036 0.000 1.296 230 F CB 0.484 39.502 39.000 0.031 0.000 1.085 230 F HN 0.390 nan 8.300 nan 0.000 0.584 231 E N 5.353 124.959 120.200 -0.990 0.000 2.340 231 E HA 0.233 4.583 4.350 -0.000 0.000 0.273 231 E C 0.503 176.446 176.600 -1.095 0.000 0.891 231 E CA -0.812 55.044 56.400 -0.907 0.000 0.757 231 E CB 2.114 31.620 29.700 -0.325 0.000 1.231 231 E HN 0.718 nan 8.360 nan 0.000 0.439 232 R N 1.137 121.238 120.500 -0.664 0.000 2.083 232 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 232 R C 1.385 177.620 176.300 -0.107 0.000 1.137 232 R CA 1.622 57.567 56.100 -0.258 0.000 0.951 232 R CB -0.000 30.266 30.300 -0.056 0.000 0.851 232 R HN 0.505 nan 8.270 nan 0.000 0.434 233 E N 0.520 120.677 120.200 -0.071 0.000 2.511 233 E HA -0.085 4.264 4.350 -0.000 0.000 0.196 233 E C 0.627 177.261 176.600 0.055 0.000 1.066 233 E CA 0.202 56.622 56.400 0.034 0.000 0.871 233 E CB 0.108 29.854 29.700 0.076 0.000 0.863 233 E HN 0.268 nan 8.360 nan 0.000 0.520 234 D N 0.216 120.618 120.400 0.003 0.000 2.351 234 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 234 D C 1.220 177.597 176.300 0.129 0.000 0.968 234 D CA 0.719 54.773 54.000 0.092 0.000 0.899 234 D CB 0.086 40.925 40.800 0.064 0.000 0.907 234 D HN -0.028 nan 8.370 nan 0.000 0.514 235 S N -0.398 115.336 115.700 0.056 0.000 2.548 235 S HA 0.252 4.722 4.470 -0.000 0.000 0.215 235 S C 0.850 175.407 174.600 -0.072 0.000 0.976 235 S CA -0.269 57.925 58.200 -0.010 0.000 0.908 235 S CB 0.451 63.640 63.200 -0.017 0.000 0.781 235 S HN 0.292 nan 8.310 nan 0.000 0.519 236 A N 1.695 124.504 122.820 -0.019 0.000 2.407 236 A HA 0.605 4.925 4.320 -0.000 0.000 0.248 236 A C -0.168 177.277 177.584 -0.232 0.000 1.082 236 A CA 0.084 52.065 52.037 -0.094 0.000 0.785 236 A CB 0.051 19.161 19.000 0.183 0.000 1.020 236 A HN 0.427 nan 8.150 nan 0.000 0.489 237 I N 1.613 121.847 120.570 -0.561 0.000 2.534 237 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 237 I C -0.597 175.034 176.117 -0.809 0.000 1.094 237 I CA -0.198 60.652 61.300 -0.751 0.000 1.055 237 I CB 2.456 39.919 38.000 -0.896 0.000 1.225 237 I HN 0.579 nan 8.210 nan 0.000 0.435 238 T N 3.621 117.660 114.554 -0.858 0.000 2.856 238 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 238 T C -0.444 173.816 174.700 -0.733 0.000 1.008 238 T CA -0.692 60.908 62.100 -0.834 0.000 0.997 238 T CB 1.812 69.850 68.868 -1.382 0.000 0.992 238 T HN 0.490 nan 8.240 nan 0.000 0.454 239 S N 2.592 118.073 115.700 -0.365 0.000 2.677 239 S HA 0.442 4.911 4.470 -0.000 0.000 0.283 239 S C -0.666 173.900 174.600 -0.057 0.000 1.159 239 S CA -0.807 57.257 58.200 -0.226 0.000 1.001 239 S CB 0.792 63.827 63.200 -0.276 0.000 1.032 239 S HN 0.526 nan 8.310 nan 0.000 0.487 240 I N 3.531 124.153 120.570 0.087 0.000 2.291 240 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 240 I C -0.617 175.628 176.117 0.213 0.000 1.064 240 I CA -0.530 60.905 61.300 0.224 0.000 1.269 240 I CB -0.666 37.593 38.000 0.433 0.000 1.418 240 I HN 0.615 nan 8.210 nan 0.000 0.485 241 Y N 5.907 126.320 120.300 0.187 0.000 2.335 241 Y HA 0.282 4.832 4.550 -0.000 0.000 0.331 241 Y C 0.241 176.251 175.900 0.184 0.000 1.094 241 Y CA 0.294 58.463 58.100 0.114 0.000 1.253 241 Y CB 0.765 39.176 38.460 -0.082 0.000 1.203 241 Y HN 0.343 nan 8.280 nan 0.000 0.508 242 F N 2.355 122.403 119.950 0.163 0.000 2.425 242 F HA 0.396 4.922 4.527 -0.001 0.000 0.331 242 F C 0.133 176.060 175.800 0.211 0.000 1.085 242 F CA -0.171 57.939 58.000 0.182 0.000 1.028 242 F CB 1.362 40.453 39.000 0.151 0.000 1.177 242 F HN 0.488 nan 8.300 nan 0.000 0.487 243 D N 0.591 121.194 120.400 0.339 0.000 2.710 243 D HA 0.184 4.824 4.640 -0.000 0.000 0.276 243 D C -1.573 174.911 176.300 0.307 0.000 1.267 243 D CA -0.511 53.692 54.000 0.338 0.000 0.772 243 D CB 1.340 42.382 40.800 0.404 0.000 1.299 243 D HN 0.474 nan 8.370 nan 0.000 0.421 244 N N -0.406 118.454 118.700 0.268 0.000 2.671 244 N HA 0.266 5.006 4.740 -0.000 0.000 0.303 244 N C 0.747 176.350 175.510 0.154 0.000 1.277 244 N CA -0.341 52.854 53.050 0.241 0.000 0.933 244 N CB 0.430 39.014 38.487 0.161 0.000 1.190 244 N HN 0.222 nan 8.380 nan 0.000 0.600 245 E N -0.575 119.669 120.200 0.072 0.000 2.171 245 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 245 E C 0.213 176.657 176.600 -0.261 0.000 0.997 245 E CA 1.053 57.305 56.400 -0.247 0.000 0.810 245 E CB -0.246 29.415 29.700 -0.064 0.000 0.738 245 E HN 0.507 nan 8.360 nan 0.000 0.467 246 N N 0.140 118.806 118.700 -0.057 0.000 2.336 246 N HA 0.023 4.763 4.740 -0.000 0.000 0.189 246 N C 0.739 176.341 175.510 0.153 0.000 1.113 246 N CA 0.060 53.121 53.050 0.017 0.000 0.858 246 N CB 0.495 39.009 38.487 0.045 0.000 0.970 246 N HN 0.128 nan 8.380 nan 0.000 0.471 247 L N 0.752 122.041 121.223 0.111 0.000 3.843 247 L HA -0.268 4.072 4.340 -0.000 0.000 0.411 247 L C 0.542 177.642 176.870 0.382 0.000 1.205 247 L CA -0.045 54.911 54.840 0.194 0.000 0.945 247 L CB -1.269 40.805 42.059 0.025 0.000 1.929 247 L HN 0.048 nan 8.230 nan 0.000 0.934 248 D N 0.214 120.804 120.400 0.318 0.000 2.157 248 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 248 D C 1.898 178.397 176.300 0.332 0.000 1.004 248 D CA 1.694 55.880 54.000 0.310 0.000 0.854 248 D CB 0.103 41.025 40.800 0.203 0.000 0.936 248 D HN 0.327 nan 8.370 nan 0.000 0.446 249 L N -0.069 121.354 121.223 0.332 0.000 2.046 249 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 249 L C 2.279 179.396 176.870 0.410 0.000 1.077 249 L CA 1.184 56.238 54.840 0.358 0.000 0.747 249 L CB -1.214 41.071 42.059 0.377 0.000 0.896 249 L HN 0.137 nan 8.230 nan 0.000 0.432 250 Y N -0.622 119.844 120.300 0.278 0.000 2.030 250 Y HA -0.384 4.165 4.550 -0.000 0.000 0.274 250 Y C 2.574 178.415 175.900 -0.098 0.000 1.153 250 Y CA 1.934 60.023 58.100 -0.019 0.000 1.115 250 Y CB -0.744 37.507 38.460 -0.348 0.000 0.969 250 Y HN 0.186 nan 8.280 nan 0.000 0.488 251 Y N 0.072 120.420 120.300 0.079 0.000 2.207 251 Y HA -0.142 4.407 4.550 -0.000 0.000 0.287 251 Y C 2.761 178.630 175.900 -0.052 0.000 1.156 251 Y CA 1.359 59.430 58.100 -0.048 0.000 1.182 251 Y CB -1.187 37.321 38.460 0.080 0.000 0.979 251 Y HN 0.258 nan 8.280 nan 0.000 0.521 252 G N -0.075 108.839 108.800 0.190 0.000 2.446 252 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 252 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 252 G C 1.866 176.812 174.900 0.076 0.000 1.168 252 G CA 0.832 46.021 45.100 0.148 0.000 0.771 252 G HN 0.163 nan 8.290 nan 0.000 0.551 253 R N -0.350 120.180 120.500 0.051 0.000 2.073 253 R HA 0.097 4.436 4.340 -0.000 0.000 0.229 253 R C 2.453 178.673 176.300 -0.134 0.000 1.120 253 R CA 0.538 56.640 56.100 0.003 0.000 0.967 253 R CB -1.337 29.045 30.300 0.136 0.000 0.862 253 R HN 0.409 nan 8.270 nan 0.000 0.436 254 L N 1.673 122.718 121.223 -0.296 0.000 1.971 254 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 254 L C 2.137 178.918 176.870 -0.148 0.000 1.072 254 L CA 1.935 56.568 54.840 -0.345 0.000 0.758 254 L CB -0.444 41.262 42.059 -0.590 0.000 0.889 254 L HN 0.030 nan 8.230 nan 0.000 0.433 255 R N -0.365 120.093 120.500 -0.070 0.000 2.235 255 R HA -0.024 4.315 4.340 -0.000 0.000 0.213 255 R C -0.030 176.265 176.300 -0.007 0.000 1.059 255 R CA 0.249 56.348 56.100 -0.003 0.000 0.997 255 R CB -0.058 30.272 30.300 0.050 0.000 0.884 255 R HN 0.194 nan 8.270 nan 0.000 0.462 256 K N 2.107 122.474 120.400 -0.055 0.000 3.393 256 K HA -0.119 4.201 4.320 -0.000 0.000 0.272 256 K C -1.244 175.424 176.600 0.113 0.000 1.004 256 K CA 0.619 56.818 56.287 -0.148 0.000 0.764 256 K CB -1.555 30.715 32.500 -0.384 0.000 1.373 256 K HN 0.280 nan 8.250 nan 0.000 0.458 257 D N 1.296 121.795 120.400 0.165 0.000 2.399 257 D HA 0.026 4.666 4.640 -0.000 0.000 0.241 257 D C 0.897 177.358 176.300 0.269 0.000 1.133 257 D CA -0.070 54.056 54.000 0.210 0.000 0.890 257 D CB 0.652 41.550 40.800 0.163 0.000 1.201 257 D HN 0.183 nan 8.370 nan 0.000 0.432 258 E N 0.316 120.641 120.200 0.208 0.000 2.606 258 E HA 0.187 4.537 4.350 -0.000 0.000 0.248 258 E C 1.019 177.660 176.600 0.068 0.000 1.005 258 E CA 0.732 57.172 56.400 0.066 0.000 0.946 258 E CB -0.315 29.445 29.700 0.101 0.000 0.928 258 E HN 0.622 nan 8.360 nan 0.000 0.494 259 G N 2.756 111.563 108.800 0.012 0.000 2.176 259 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 259 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 259 G C 0.433 175.399 174.900 0.111 0.000 0.979 259 G CA 0.067 45.195 45.100 0.046 0.000 0.641 259 G HN 1.159 nan 8.290 nan 0.000 0.530 260 A N 0.503 123.418 122.820 0.158 0.000 2.545 260 A HA 0.485 4.805 4.320 -0.000 0.000 0.253 260 A C 0.535 178.218 177.584 0.164 0.000 1.074 260 A CA 0.865 53.007 52.037 0.174 0.000 0.760 260 A CB 0.069 19.177 19.000 0.180 0.000 1.005 260 A HN 0.568 nan 8.150 nan 0.000 0.506 261 E N 0.862 121.165 120.200 0.171 0.000 2.242 261 E HA 0.576 4.925 4.350 -0.000 0.000 0.275 261 E C -0.203 176.484 176.600 0.145 0.000 1.002 261 E CA -0.452 56.028 56.400 0.133 0.000 0.841 261 E CB 1.798 31.613 29.700 0.192 0.000 1.109 261 E HN 0.759 nan 8.360 nan 0.000 0.394 262 A N 3.139 125.973 122.820 0.023 0.000 2.343 262 A HA 0.437 4.757 4.320 -0.000 0.000 0.316 262 A C -1.175 176.337 177.584 -0.120 0.000 1.104 262 A CA -0.646 51.402 52.037 0.020 0.000 0.768 262 A CB 0.790 19.814 19.000 0.040 0.000 1.213 262 A HN 0.627 nan 8.150 nan 0.000 0.456 263 H N 2.328 121.418 119.070 0.033 0.000 2.539 263 H HA 0.528 5.084 4.556 -0.000 0.000 0.332 263 H C -0.268 175.044 175.328 -0.027 0.000 1.031 263 H CA -0.332 55.725 56.048 0.015 0.000 1.206 263 H CB 1.635 31.427 29.762 0.051 0.000 1.446 263 H HN 0.865 nan 8.280 nan 0.000 0.496 264 R N 2.376 122.829 120.500 -0.078 0.000 2.698 264 R HA 0.460 4.800 4.340 -0.000 0.000 0.275 264 R C -1.929 174.305 176.300 -0.111 0.000 1.001 264 R CA -1.049 54.936 56.100 -0.192 0.000 0.896 264 R CB 1.270 31.108 30.300 -0.770 0.000 1.218 264 R HN 0.152 nan 8.270 nan 0.000 0.462 265 L N 2.622 123.864 121.223 0.032 0.000 2.287 265 L HA 0.548 4.888 4.340 -0.000 0.000 0.287 265 L C -0.027 176.942 176.870 0.164 0.000 1.022 265 L CA -0.267 54.609 54.840 0.061 0.000 0.814 265 L CB 1.412 43.540 42.059 0.114 0.000 1.217 265 L HN 0.670 nan 8.230 nan 0.000 0.420 266 R N 3.205 123.767 120.500 0.103 0.000 2.599 266 R HA 0.650 4.990 4.340 -0.000 0.000 0.295 266 R C -1.860 174.587 176.300 0.246 0.000 0.963 266 R CA -0.712 55.404 56.100 0.027 0.000 0.883 266 R CB 1.570 31.767 30.300 -0.170 0.000 1.171 266 R HN 0.659 nan 8.270 nan 0.000 0.450 267 W N 3.732 125.051 121.300 0.031 0.000 2.785 267 W HA 0.445 5.106 4.660 0.001 0.000 0.333 267 W C -2.011 174.507 176.519 -0.001 0.000 1.062 267 W CA -1.237 56.183 57.345 0.125 0.000 1.233 267 W CB 0.535 30.104 29.460 0.182 0.000 1.413 267 W HN 0.346 nan 8.180 nan 0.000 0.489 268 Y N 4.519 125.031 120.300 0.354 0.000 2.350 268 Y HA 0.578 5.128 4.550 -0.001 0.000 0.340 268 Y C 1.159 177.241 175.900 0.303 0.000 1.006 268 Y CA 0.981 59.218 58.100 0.229 0.000 1.166 268 Y CB 1.225 39.869 38.460 0.308 0.000 1.168 268 Y HN 1.099 nan 8.280 nan 0.000 0.502 269 G N 1.543 110.544 108.800 0.334 0.000 2.428 269 G HA2 0.083 4.043 3.960 -0.000 0.000 0.202 269 G HA3 0.083 4.043 3.960 -0.000 0.000 0.202 269 G C 0.097 175.219 174.900 0.371 0.000 1.247 269 G CA -0.660 44.626 45.100 0.310 0.000 1.020 269 G HN 0.974 nan 8.290 nan 0.000 0.529 270 G N -1.660 107.310 108.800 0.283 0.000 2.553 270 G HA2 0.531 4.491 3.960 -0.000 0.000 0.278 270 G HA3 0.531 4.491 3.960 -0.000 0.000 0.278 270 G C 1.211 176.263 174.900 0.253 0.000 1.349 270 G CA 0.314 45.570 45.100 0.259 0.000 1.037 270 G HN 0.576 nan 8.290 nan 0.000 0.508 271 M N -0.011 119.672 119.600 0.138 0.000 2.562 271 M HA 0.055 4.535 4.480 -0.000 0.000 0.257 271 M C 2.188 178.449 176.300 -0.066 0.000 1.099 271 M CA 0.528 55.820 55.300 -0.012 0.000 1.099 271 M CB -0.544 32.045 32.600 -0.018 0.000 1.427 271 M HN 0.303 nan 8.290 nan 0.000 0.489 272 S N 0.195 115.892 115.700 -0.005 0.000 2.650 272 S HA 0.037 4.507 4.470 -0.000 0.000 0.219 272 S C 0.672 175.266 174.600 -0.011 0.000 0.960 272 S CA 0.097 58.287 58.200 -0.017 0.000 0.925 272 S CB -0.257 62.943 63.200 0.000 0.000 0.775 272 S HN 0.396 nan 8.310 nan 0.000 0.525 273 T N 2.121 116.677 114.554 0.003 0.000 2.851 273 T HA 0.113 4.463 4.350 -0.000 0.000 0.298 273 T C 0.761 175.433 174.700 -0.046 0.000 0.977 273 T CA -0.182 61.941 62.100 0.037 0.000 1.126 273 T CB 1.258 70.242 68.868 0.194 0.000 0.916 273 T HN 0.165 nan 8.240 nan 0.000 0.529 274 D N 1.918 122.294 120.400 -0.040 0.000 2.431 274 D HA 0.026 4.665 4.640 -0.000 0.000 0.235 274 D C 0.508 176.733 176.300 -0.124 0.000 0.980 274 D CA 0.460 54.407 54.000 -0.089 0.000 0.912 274 D CB 0.328 41.077 40.800 -0.085 0.000 1.056 274 D HN 0.454 nan 8.370 nan 0.000 0.494 275 T N 2.099 116.582 114.554 -0.118 0.000 2.817 275 T HA 0.208 4.558 4.350 -0.000 0.000 0.295 275 T C -0.009 174.521 174.700 -0.283 0.000 0.958 275 T CA 0.007 61.955 62.100 -0.253 0.000 1.157 275 T CB 0.523 69.220 68.868 -0.285 0.000 0.898 275 T HN 0.019 nan 8.240 nan 0.000 0.536 276 I N 4.226 124.549 120.570 -0.411 0.000 2.406 276 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 276 I C -0.359 175.452 176.117 -0.511 0.000 0.999 276 I CA -1.297 59.800 61.300 -0.337 0.000 1.124 276 I CB 1.028 38.763 38.000 -0.441 0.000 1.289 276 I HN 0.503 nan 8.210 nan 0.000 0.441 277 F N 5.113 124.991 119.950 -0.120 0.000 2.411 277 F HA 0.337 4.864 4.527 0.000 0.000 0.355 277 F C 0.574 176.166 175.800 -0.347 0.000 1.117 277 F CA -0.700 57.178 58.000 -0.204 0.000 1.139 277 F CB 1.279 40.261 39.000 -0.029 0.000 1.120 277 F HN 0.056 nan 8.300 nan 0.000 0.493 278 V N 4.159 123.777 119.914 -0.493 0.000 2.353 278 V HA 0.218 4.338 4.120 -0.000 0.000 0.264 278 V C -0.071 175.834 176.094 -0.316 0.000 1.049 278 V CA -0.579 61.383 62.300 -0.563 0.000 0.896 278 V CB 0.162 31.319 31.823 -1.110 0.000 1.025 278 V HN 0.712 nan 8.190 nan 0.000 0.475 279 E N 4.220 124.332 120.200 -0.147 0.000 2.207 279 E HA 0.669 5.019 4.350 -0.000 0.000 0.270 279 E C -0.394 176.141 176.600 -0.107 0.000 0.927 279 E CA -0.916 55.434 56.400 -0.083 0.000 0.799 279 E CB 2.599 32.254 29.700 -0.075 0.000 1.172 279 E HN 0.499 nan 8.360 nan 0.000 0.404 280 R N 2.357 122.794 120.500 -0.105 0.000 2.514 280 R HA 0.255 4.595 4.340 -0.000 0.000 0.296 280 R C -1.153 175.069 176.300 -0.130 0.000 1.012 280 R CA -0.609 55.345 56.100 -0.243 0.000 0.897 280 R CB 1.001 31.122 30.300 -0.298 0.000 1.184 280 R HN 0.381 nan 8.270 nan 0.000 0.440 281 K N 2.521 122.852 120.400 -0.114 0.000 2.183 281 K HA 0.283 4.603 4.320 -0.000 0.000 0.274 281 K C -0.877 175.719 176.600 -0.006 0.000 1.009 281 K CA -0.427 55.847 56.287 -0.023 0.000 0.888 281 K CB 2.033 34.551 32.500 0.031 0.000 1.078 281 K HN 0.452 nan 8.250 nan 0.000 0.459 282 T N 2.266 116.833 114.554 0.022 0.000 2.864 282 T HA 0.083 4.432 4.350 -0.000 0.000 0.310 282 T C -0.715 174.023 174.700 0.064 0.000 1.040 282 T CA -0.643 61.482 62.100 0.042 0.000 0.977 282 T CB 0.175 69.055 68.868 0.018 0.000 0.976 282 T HN 0.481 nan 8.240 nan 0.000 0.459 283 H N 3.168 122.241 119.070 0.005 0.000 2.732 283 H HA 0.453 5.008 4.556 -0.000 0.000 0.351 283 H C -0.000 175.299 175.328 -0.047 0.000 1.090 283 H CA -0.021 56.020 56.048 -0.011 0.000 1.431 283 H CB 0.506 30.273 29.762 0.008 0.000 1.447 283 H HN 0.434 nan 8.280 nan 0.000 0.582 284 R N 4.053 124.089 120.500 -0.774 0.000 2.514 284 R HA 0.170 4.510 4.340 -0.000 0.000 0.296 284 R C -0.523 175.255 176.300 -0.871 0.000 1.012 284 R CA -1.002 54.685 56.100 -0.688 0.000 0.897 284 R CB 1.637 31.710 30.300 -0.377 0.000 1.184 284 R HN 0.678 nan 8.270 nan 0.000 0.440 285 E N 1.737 121.423 120.200 -0.855 0.000 2.436 285 E HA -0.087 4.263 4.350 -0.000 0.000 0.262 285 E C 0.294 176.489 176.600 -0.675 0.000 1.063 285 E CA 0.422 56.395 56.400 -0.712 0.000 0.944 285 E CB 0.688 29.850 29.700 -0.896 0.000 0.950 285 E HN 0.469 nan 8.360 nan 0.000 0.444 286 D N 1.690 121.876 120.400 -0.356 0.000 2.178 286 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 286 D C 1.765 177.977 176.300 -0.146 0.000 0.980 286 D CA 0.837 54.725 54.000 -0.187 0.000 0.842 286 D CB -0.144 40.637 40.800 -0.033 0.000 0.948 286 D HN 0.655 nan 8.370 nan 0.000 0.472 287 W N 1.793 123.085 121.300 -0.014 0.000 2.848 287 W HA -0.044 4.616 4.660 -0.000 0.000 0.241 287 W C 1.068 177.577 176.519 -0.017 0.000 1.289 287 W CA 1.159 58.497 57.345 -0.011 0.000 1.396 287 W CB -1.394 28.064 29.460 -0.003 0.000 1.138 287 W HN -0.044 nan 8.180 nan 0.000 0.677 288 T N -2.706 111.645 114.554 -0.338 0.000 3.067 288 T HA 0.297 4.647 4.350 -0.000 0.000 0.257 288 T C 1.921 176.566 174.700 -0.093 0.000 1.105 288 T CA 1.154 63.103 62.100 -0.251 0.000 1.104 288 T CB -0.315 68.239 68.868 -0.524 0.000 0.925 288 T HN 0.399 nan 8.240 nan 0.000 0.498 289 G N 1.108 109.854 108.800 -0.090 0.000 2.304 289 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.252 289 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.252 289 G C 0.072 174.922 174.900 -0.082 0.000 1.014 289 G CA 0.273 45.341 45.100 -0.054 0.000 0.619 289 G HN 0.622 nan 8.290 nan 0.000 0.525 290 E N 0.372 120.498 120.200 -0.124 0.000 2.322 290 E HA 0.654 5.003 4.350 -0.000 0.000 0.257 290 E C 0.098 176.613 176.600 -0.142 0.000 1.155 290 E CA -0.326 56.003 56.400 -0.119 0.000 0.936 290 E CB 1.276 30.902 29.700 -0.124 0.000 1.130 290 E HN 0.417 nan 8.360 nan 0.000 0.465 291 K N -0.362 119.972 120.400 -0.111 0.000 2.385 291 K HA 0.326 4.646 4.320 -0.000 0.000 0.248 291 K C -0.633 175.913 176.600 -0.090 0.000 0.955 291 K CA -0.534 55.692 56.287 -0.102 0.000 0.816 291 K CB 1.596 34.061 32.500 -0.059 0.000 1.250 291 K HN 0.326 nan 8.250 nan 0.000 0.434 292 S N 0.827 116.480 115.700 -0.078 0.000 2.559 292 S HA 0.084 4.554 4.470 -0.000 0.000 0.282 292 S C -0.447 174.149 174.600 -0.007 0.000 1.336 292 S CA -0.489 57.690 58.200 -0.035 0.000 1.037 292 S CB 0.522 63.755 63.200 0.056 0.000 0.853 292 S HN 0.318 nan 8.310 nan 0.000 0.523 293 V N 2.404 122.319 119.914 0.002 0.000 2.876 293 V HA 0.560 4.680 4.120 -0.000 0.000 0.312 293 V C -0.221 175.883 176.094 0.017 0.000 1.085 293 V CA -0.869 61.435 62.300 0.008 0.000 0.945 293 V CB 2.138 33.961 31.823 0.000 0.000 1.017 293 V HN 0.798 nan 8.190 nan 0.000 0.428 294 K N 2.154 122.565 120.400 0.019 0.000 2.345 294 K HA 0.863 5.183 4.320 -0.000 0.000 0.255 294 K C -0.945 175.669 176.600 0.023 0.000 0.934 294 K CA -0.343 55.955 56.287 0.017 0.000 0.801 294 K CB 1.907 34.419 32.500 0.020 0.000 1.137 294 K HN 0.974 nan 8.250 nan 0.000 0.424 295 A N 3.644 126.481 122.820 0.028 0.000 2.498 295 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 295 A C -1.395 176.237 177.584 0.080 0.000 1.075 295 A CA -0.912 51.161 52.037 0.060 0.000 0.714 295 A CB 1.499 20.544 19.000 0.075 0.000 1.299 295 A HN 0.884 nan 8.150 nan 0.000 0.407 296 R N -0.101 120.477 120.500 0.130 0.000 2.752 296 R HA 0.765 5.105 4.340 -0.000 0.000 0.271 296 R C -1.923 174.560 176.300 0.305 0.000 1.026 296 R CA -0.485 55.704 56.100 0.148 0.000 0.901 296 R CB 0.942 31.300 30.300 0.098 0.000 1.243 296 R HN 1.183 nan 8.270 nan 0.000 0.463 297 F N -1.396 118.662 119.950 0.180 0.000 2.650 297 F HA 0.898 5.425 4.527 -0.001 0.000 0.320 297 F C -1.348 174.493 175.800 0.068 0.000 1.091 297 F CA -1.174 56.932 58.000 0.177 0.000 0.962 297 F CB 1.527 40.670 39.000 0.238 0.000 1.363 297 F HN 0.777 nan 8.300 nan 0.000 0.482 298 A N 2.376 125.246 122.820 0.082 0.000 2.305 298 A HA 0.804 5.124 4.320 -0.000 0.000 0.322 298 A C -1.321 176.103 177.584 -0.266 0.000 1.187 298 A CA -0.713 51.144 52.037 -0.301 0.000 0.825 298 A CB 0.891 19.684 19.000 -0.345 0.000 1.164 298 A HN 0.863 nan 8.150 nan 0.000 0.498 299 L N 1.660 122.633 121.223 -0.415 0.000 2.370 299 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 299 L C -0.161 176.510 176.870 -0.332 0.000 1.002 299 L CA -0.810 53.818 54.840 -0.355 0.000 0.818 299 L CB 2.400 44.198 42.059 -0.435 0.000 1.325 299 L HN 0.752 nan 8.230 nan 0.000 0.418 300 K N 1.687 121.944 120.400 -0.237 0.000 2.270 300 K HA 0.040 4.360 4.320 -0.000 0.000 0.276 300 K C 0.739 177.154 176.600 -0.309 0.000 1.023 300 K CA -0.373 55.771 56.287 -0.237 0.000 0.955 300 K CB 1.081 33.471 32.500 -0.182 0.000 0.975 300 K HN 0.486 nan 8.250 nan 0.000 0.471 301 E N 3.573 123.616 120.200 -0.263 0.000 2.219 301 E HA -0.240 4.109 4.350 -0.000 0.000 0.198 301 E C 1.306 177.773 176.600 -0.221 0.000 0.998 301 E CA 1.576 57.846 56.400 -0.217 0.000 0.818 301 E CB 0.198 29.849 29.700 -0.082 0.000 0.741 301 E HN 0.472 nan 8.360 nan 0.000 0.477 302 R N -0.587 119.715 120.500 -0.330 0.000 2.096 302 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 302 R C 2.163 178.212 176.300 -0.420 0.000 1.139 302 R CA 1.703 57.554 56.100 -0.415 0.000 0.952 302 R CB -0.367 29.537 30.300 -0.660 0.000 0.854 302 R HN 0.336 nan 8.270 nan 0.000 0.436 303 H N -0.488 118.412 119.070 -0.284 0.000 2.539 303 H HA 0.131 4.686 4.556 -0.001 0.000 0.269 303 H C 1.928 177.047 175.328 -0.348 0.000 0.980 303 H CA 0.154 55.933 56.048 -0.447 0.000 1.152 303 H CB 0.149 29.310 29.762 -1.002 0.000 1.407 303 H HN 0.000 nan 8.280 nan 0.000 0.564 304 V N 1.768 121.533 119.914 -0.248 0.000 2.220 304 V HA -0.315 3.804 4.120 -0.000 0.000 0.246 304 V C 2.196 178.251 176.094 -0.066 0.000 1.049 304 V CA 1.909 64.018 62.300 -0.317 0.000 1.003 304 V CB -0.320 31.011 31.823 -0.820 0.000 0.634 304 V HN 0.433 nan 8.190 nan 0.000 0.444 305 N N 0.465 119.187 118.700 0.036 0.000 2.037 305 N HA -0.206 4.534 4.740 -0.000 0.000 0.196 305 N C 1.547 177.139 175.510 0.136 0.000 1.034 305 N CA 1.959 55.099 53.050 0.151 0.000 0.861 305 N CB -0.690 37.906 38.487 0.181 0.000 1.039 305 N HN 0.514 nan 8.380 nan 0.000 0.427 306 D N -0.150 120.328 120.400 0.131 0.000 2.182 306 D HA -0.134 4.505 4.640 -0.000 0.000 0.201 306 D C 1.718 178.153 176.300 0.225 0.000 0.986 306 D CA 0.457 54.565 54.000 0.179 0.000 0.847 306 D CB -0.352 40.594 40.800 0.243 0.000 0.942 306 D HN 0.272 nan 8.370 nan 0.000 0.467 307 F N 1.082 121.071 119.950 0.065 0.000 2.187 307 F HA 0.006 4.533 4.527 -0.001 0.000 0.295 307 F C 2.065 177.908 175.800 0.073 0.000 1.091 307 F CA 0.722 58.781 58.000 0.099 0.000 1.308 307 F CB -0.159 38.861 39.000 0.034 0.000 1.030 307 F HN -0.163 nan 8.300 nan 0.000 0.487 308 L N -0.090 121.175 121.223 0.070 0.000 2.191 308 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 308 L C 1.752 178.587 176.870 -0.058 0.000 1.103 308 L CA 1.068 55.893 54.840 -0.025 0.000 0.769 308 L CB -0.519 41.601 42.059 0.103 0.000 0.908 308 L HN 0.002 nan 8.230 nan 0.000 0.438 309 K N -0.375 120.019 120.400 -0.010 0.000 2.367 309 K HA 0.207 4.527 4.320 -0.000 0.000 0.194 309 K C 1.183 177.764 176.600 -0.032 0.000 1.027 309 K CA 0.650 56.938 56.287 0.002 0.000 1.075 309 K CB 0.431 32.961 32.500 0.049 0.000 0.845 309 K HN 0.230 nan 8.250 nan 0.000 0.529 310 G N 0.747 109.500 108.800 -0.079 0.000 2.175 310 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.244 310 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.244 310 G C 0.779 175.676 174.900 -0.005 0.000 0.982 310 G CA 0.511 45.563 45.100 -0.080 0.000 0.641 310 G HN 0.358 nan 8.290 nan 0.000 0.527 311 K N -1.081 119.349 120.400 0.049 0.000 2.366 311 K HA 0.167 4.487 4.320 -0.000 0.000 0.198 311 K C 0.418 177.093 176.600 0.125 0.000 1.044 311 K CA 0.461 56.795 56.287 0.078 0.000 0.973 311 K CB 0.352 32.910 32.500 0.097 0.000 0.767 311 K HN 0.449 nan 8.250 nan 0.000 0.475 312 Y N 2.022 122.346 120.300 0.040 0.000 2.345 312 Y HA 0.073 4.623 4.550 -0.001 0.000 0.331 312 Y C -0.042 175.923 175.900 0.109 0.000 0.959 312 Y CA -0.996 57.149 58.100 0.076 0.000 1.204 312 Y CB 1.028 39.572 38.460 0.141 0.000 1.135 312 Y HN -0.052 nan 8.280 nan 0.000 0.477 313 T N 0.833 115.342 114.554 -0.075 0.000 2.899 313 T HA 0.196 4.545 4.350 -0.000 0.000 0.284 313 T C 1.152 175.935 174.700 0.138 0.000 1.004 313 T CA -0.609 61.506 62.100 0.025 0.000 1.043 313 T CB 1.378 70.213 68.868 -0.055 0.000 1.013 313 T HN 0.449 nan 8.240 nan 0.000 0.518 314 V N 1.406 121.449 119.914 0.214 0.000 2.380 314 V HA -0.178 3.942 4.120 -0.000 0.000 0.251 314 V C 2.534 178.761 176.094 0.222 0.000 1.063 314 V CA 2.401 64.871 62.300 0.283 0.000 1.055 314 V CB -1.193 30.754 31.823 0.207 0.000 0.657 314 V HN 1.091 nan 8.190 nan 0.000 0.455 315 D N -0.323 120.127 120.400 0.084 0.000 2.133 315 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 315 D C 2.252 178.549 176.300 -0.004 0.000 0.997 315 D CA 1.757 55.779 54.000 0.036 0.000 0.840 315 D CB -0.069 40.719 40.800 -0.019 0.000 0.947 315 D HN 0.557 nan 8.370 nan 0.000 0.452 316 Q N -0.555 119.165 119.800 -0.134 0.000 2.083 316 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 316 Q C 2.443 178.370 176.000 -0.121 0.000 0.969 316 Q CA 1.079 56.717 55.803 -0.275 0.000 0.838 316 Q CB 0.071 28.331 28.738 -0.796 0.000 0.900 316 Q HN 0.209 nan 8.270 nan 0.000 0.436 317 V N 0.146 120.065 119.914 0.008 0.000 2.324 317 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 317 V C 1.441 177.281 176.094 -0.424 0.000 1.060 317 V CA 1.873 64.089 62.300 -0.140 0.000 1.042 317 V CB -0.428 31.118 31.823 -0.462 0.000 0.650 317 V HN 0.319 nan 8.190 nan 0.000 0.450 318 F N -0.727 119.212 119.950 -0.018 0.000 2.678 318 F HA 0.483 5.010 4.527 0.000 0.000 0.305 318 F C 2.043 177.827 175.800 -0.026 0.000 1.090 318 F CA 0.431 58.413 58.000 -0.030 0.000 1.272 318 F CB -0.422 38.543 39.000 -0.058 0.000 1.060 318 F HN 0.005 nan 8.300 nan 0.000 0.576 319 A N 1.103 123.979 122.820 0.092 0.000 1.940 319 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 319 A C 2.192 179.796 177.584 0.032 0.000 1.176 319 A CA 1.680 53.743 52.037 0.042 0.000 0.631 319 A CB -0.486 18.511 19.000 -0.006 0.000 0.814 319 A HN 0.382 nan 8.150 nan 0.000 0.446 320 K N -0.956 119.455 120.400 0.018 0.000 2.211 320 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 320 K C 2.025 178.644 176.600 0.032 0.000 1.050 320 K CA 1.487 57.782 56.287 0.014 0.000 0.945 320 K CB -0.258 32.240 32.500 -0.002 0.000 0.732 320 K HN 0.653 nan 8.250 nan 0.000 0.451 321 M N 0.850 120.489 119.600 0.064 0.000 2.357 321 M HA -0.019 4.461 4.480 -0.000 0.000 0.266 321 M C 1.874 178.220 176.300 0.076 0.000 1.095 321 M CA 1.039 56.392 55.300 0.088 0.000 1.156 321 M CB 0.244 32.945 32.600 0.168 0.000 1.365 321 M HN -0.055 nan 8.290 nan 0.000 0.447 322 R N 0.354 120.901 120.500 0.078 0.000 2.120 322 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 322 R C 2.178 178.496 176.300 0.030 0.000 1.123 322 R CA 1.352 57.481 56.100 0.047 0.000 0.975 322 R CB -0.442 29.883 30.300 0.041 0.000 0.866 322 R HN 0.402 nan 8.270 nan 0.000 0.446 323 K N 1.472 121.889 120.400 0.028 0.000 2.152 323 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 323 K C -0.087 176.523 176.600 0.017 0.000 1.048 323 K CA 1.092 57.389 56.287 0.018 0.000 0.933 323 K CB 0.163 32.672 32.500 0.015 0.000 0.721 323 K HN 0.225 nan 8.250 nan 0.000 0.447 324 E N -0.268 119.945 120.200 0.023 0.000 2.089 324 E HA 0.083 4.433 4.350 -0.000 0.000 0.284 324 E C 0.324 176.937 176.600 0.020 0.000 1.023 324 E CA -0.376 56.037 56.400 0.021 0.000 0.819 324 E CB 1.422 31.136 29.700 0.024 0.000 1.076 324 E HN 0.318 nan 8.360 nan 0.000 0.396 325 G N 2.863 111.672 108.800 0.015 0.000 2.916 325 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.205 325 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.205 325 G C 1.465 176.372 174.900 0.013 0.000 1.163 325 G CA 0.718 45.825 45.100 0.012 0.000 0.821 325 G HN 0.478 nan 8.290 nan 0.000 0.515 326 K N 0.929 121.339 120.400 0.017 0.000 1.967 326 K HA 0.076 4.396 4.320 -0.000 0.000 0.212 326 K C 1.423 178.034 176.600 0.019 0.000 1.044 326 K CA 1.332 57.629 56.287 0.017 0.000 0.942 326 K CB -0.541 31.971 32.500 0.020 0.000 0.726 326 K HN 0.410 nan 8.250 nan 0.000 0.440 327 K N 2.120 122.535 120.400 0.026 0.000 2.451 327 K HA 0.093 4.413 4.320 -0.000 0.000 0.280 327 K C -2.518 174.091 176.600 0.016 0.000 1.020 327 K CA -1.548 54.756 56.287 0.027 0.000 1.008 327 K CB 0.677 33.203 32.500 0.042 0.000 0.917 327 K HN 0.136 nan 8.250 nan 0.000 0.478 328 P HA -0.076 nan 4.420 nan 0.000 0.267 328 P C 0.651 177.947 177.300 -0.007 0.000 1.200 328 P CA -0.241 62.860 63.100 0.002 0.000 0.772 328 P CB 0.472 32.173 31.700 0.002 0.000 0.855 329 M N 2.616 122.209 119.600 -0.011 0.000 2.066 329 M HA -0.156 4.323 4.480 -0.000 0.000 0.259 329 M C 1.769 178.048 176.300 -0.034 0.000 1.074 329 M CA 2.017 57.304 55.300 -0.021 0.000 1.114 329 M CB -1.719 30.870 32.600 -0.019 0.000 1.306 329 M HN 0.489 nan 8.290 nan 0.000 0.411 330 N N 0.208 118.891 118.700 -0.029 0.000 2.430 330 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 330 N C 1.413 176.898 175.510 -0.043 0.000 1.032 330 N CA 1.504 54.532 53.050 -0.036 0.000 0.893 330 N CB -0.551 37.920 38.487 -0.026 0.000 0.957 330 N HN 0.537 nan 8.380 nan 0.000 0.442 331 E N 0.027 120.207 120.200 -0.034 0.000 2.158 331 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 331 E C 1.942 178.507 176.600 -0.059 0.000 0.982 331 E CA 0.369 56.751 56.400 -0.030 0.000 0.823 331 E CB 0.083 29.779 29.700 -0.007 0.000 0.766 331 E HN 0.413 nan 8.360 nan 0.000 0.468 332 I N 0.838 121.364 120.570 -0.074 0.000 2.353 332 I HA -0.198 3.971 4.170 -0.000 0.000 0.248 332 I C 1.994 177.964 176.117 -0.244 0.000 1.119 332 I CA 0.939 62.156 61.300 -0.139 0.000 1.417 332 I CB -0.215 37.733 38.000 -0.086 0.000 1.078 332 I HN 0.093 nan 8.210 nan 0.000 0.421 333 E N 1.111 121.212 120.200 -0.166 0.000 2.077 333 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 333 E C 1.864 178.352 176.600 -0.187 0.000 0.989 333 E CA 1.281 57.579 56.400 -0.170 0.000 0.800 333 E CB -0.174 29.464 29.700 -0.104 0.000 0.746 333 E HN 0.456 nan 8.360 nan 0.000 0.452 334 N N 0.625 119.241 118.700 -0.139 0.000 2.104 334 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 334 N C 1.688 177.108 175.510 -0.151 0.000 1.024 334 N CA 0.862 53.847 53.050 -0.109 0.000 0.853 334 N CB -0.270 38.182 38.487 -0.058 0.000 1.008 334 N HN 0.049 nan 8.380 nan 0.000 0.424 335 L N 1.607 122.693 121.223 -0.229 0.000 2.083 335 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 335 L C 2.082 178.547 176.870 -0.675 0.000 1.083 335 L CA 1.409 56.055 54.840 -0.324 0.000 0.752 335 L CB -0.726 41.152 42.059 -0.302 0.000 0.899 335 L HN 0.238 nan 8.230 nan 0.000 0.433 336 E N -0.759 118.950 120.200 -0.819 0.000 2.047 336 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 336 E C 2.290 178.712 176.600 -0.296 0.000 0.987 336 E CA 1.053 57.031 56.400 -0.703 0.000 0.799 336 E CB -0.214 29.182 29.700 -0.507 0.000 0.752 336 E HN 0.487 nan 8.360 nan 0.000 0.449 337 A N 1.609 124.304 122.820 -0.208 0.000 1.865 337 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 337 A C 2.235 179.793 177.584 -0.043 0.000 1.191 337 A CA 1.482 53.459 52.037 -0.101 0.000 0.623 337 A CB -0.785 18.166 19.000 -0.081 0.000 0.826 337 A HN 0.262 nan 8.150 nan 0.000 0.444 338 L N -0.150 121.052 121.223 -0.035 0.000 2.013 338 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 338 L C 2.611 179.561 176.870 0.135 0.000 1.073 338 L CA 2.564 57.447 54.840 0.072 0.000 0.753 338 L CB -0.836 41.292 42.059 0.115 0.000 0.890 338 L HN 0.352 nan 8.230 nan 0.000 0.432 339 A N -1.481 121.316 122.820 -0.038 0.000 1.933 339 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 339 A C 2.375 180.110 177.584 0.252 0.000 1.175 339 A CA 1.968 53.958 52.037 -0.078 0.000 0.628 339 A CB -0.913 17.773 19.000 -0.523 0.000 0.814 339 A HN 0.574 nan 8.150 nan 0.000 0.444 340 S N -0.310 115.465 115.700 0.125 0.000 2.345 340 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 340 S C 1.827 176.523 174.600 0.159 0.000 1.031 340 S CA 1.404 59.679 58.200 0.125 0.000 0.996 340 S CB -0.352 62.869 63.200 0.034 0.000 0.882 340 S HN 0.709 nan 8.310 nan 0.000 0.445 341 E N 0.671 120.953 120.200 0.137 0.000 2.160 341 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 341 E C 1.898 178.669 176.600 0.286 0.000 0.991 341 E CA 0.992 57.496 56.400 0.173 0.000 0.810 341 E CB -0.285 29.496 29.700 0.135 0.000 0.742 341 E HN 0.497 nan 8.360 nan 0.000 0.466 342 I N 0.652 121.418 120.570 0.327 0.000 2.162 342 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 342 I C 2.782 179.026 176.117 0.211 0.000 1.076 342 I CA 0.991 62.513 61.300 0.370 0.000 1.353 342 I CB -0.279 38.040 38.000 0.531 0.000 1.063 342 I HN 0.092 nan 8.210 nan 0.000 0.408 343 Q N 0.197 120.121 119.800 0.206 0.000 2.197 343 Q HA -0.290 4.050 4.340 -0.000 0.000 0.207 343 Q C 2.182 178.168 176.000 -0.022 0.000 0.984 343 Q CA 1.948 57.686 55.803 -0.109 0.000 0.869 343 Q CB -0.202 28.318 28.738 -0.364 0.000 0.906 343 Q HN 0.497 nan 8.270 nan 0.000 0.426 344 Y N 0.431 120.714 120.300 -0.030 0.000 2.060 344 Y HA -0.263 4.287 4.550 -0.001 0.000 0.276 344 Y C 2.186 178.072 175.900 -0.024 0.000 1.127 344 Y CA 2.092 60.180 58.100 -0.019 0.000 1.104 344 Y CB -0.752 37.717 38.460 0.015 0.000 0.983 344 Y HN 0.085 nan 8.280 nan 0.000 0.483 345 V N -0.753 119.160 119.914 -0.001 0.000 2.594 345 V HA -0.257 3.863 4.120 -0.000 0.000 0.253 345 V C 2.143 178.132 176.094 -0.176 0.000 1.069 345 V CA 2.058 64.279 62.300 -0.132 0.000 1.082 345 V CB -1.005 30.819 31.823 0.002 0.000 0.680 345 V HN 0.586 nan 8.190 nan 0.000 0.469 346 M N -0.156 119.343 119.600 -0.167 0.000 2.279 346 M HA 0.052 4.532 4.480 -0.000 0.000 0.264 346 M C 1.679 177.929 176.300 -0.085 0.000 1.062 346 M CA 1.950 57.168 55.300 -0.137 0.000 1.099 346 M CB -0.382 32.135 32.600 -0.138 0.000 1.394 346 M HN 0.433 nan 8.290 nan 0.000 0.426 347 L N -1.754 119.389 121.223 -0.133 0.000 2.349 347 L HA 0.032 4.372 4.340 -0.000 0.000 0.200 347 L C 2.288 179.072 176.870 -0.143 0.000 1.064 347 L CA 0.518 55.288 54.840 -0.115 0.000 0.821 347 L CB -0.612 41.373 42.059 -0.122 0.000 1.027 347 L HN 0.145 nan 8.230 nan 0.000 0.476 348 K N 1.008 121.246 120.400 -0.269 0.000 2.057 348 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 348 K C 1.685 178.202 176.600 -0.138 0.000 1.049 348 K CA 1.443 57.567 56.287 -0.272 0.000 0.931 348 K CB 0.154 32.331 32.500 -0.537 0.000 0.714 348 K HN 0.117 nan 8.250 nan 0.000 0.440 349 K N 0.765 121.100 120.400 -0.108 0.000 2.444 349 K HA 0.047 4.367 4.320 -0.000 0.000 0.193 349 K C -0.577 176.036 176.600 0.021 0.000 1.024 349 K CA 0.146 56.420 56.287 -0.022 0.000 1.077 349 K CB 0.316 32.820 32.500 0.007 0.000 0.833 349 K HN 0.124 nan 8.250 nan 0.000 0.517 350 K N 1.497 121.901 120.400 0.008 0.000 3.653 350 K HA -0.176 4.144 4.320 -0.000 0.000 0.275 350 K C -0.506 176.160 176.600 0.110 0.000 0.962 350 K CA 0.346 56.663 56.287 0.050 0.000 0.773 350 K CB -1.836 30.695 32.500 0.053 0.000 1.463 350 K HN 0.235 nan 8.250 nan 0.000 0.450 351 L N 0.927 122.231 121.223 0.135 0.000 2.421 351 L HA 0.500 4.840 4.340 -0.000 0.000 0.263 351 L C 0.853 177.921 176.870 0.329 0.000 1.122 351 L CA -0.466 54.522 54.840 0.247 0.000 0.804 351 L CB 0.915 43.138 42.059 0.273 0.000 1.150 351 L HN 0.422 nan 8.230 nan 0.000 0.457 352 R N 0.672 121.329 120.500 0.261 0.000 2.734 352 R HA 0.541 4.881 4.340 -0.000 0.000 0.271 352 R C -3.042 172.800 176.300 -0.763 0.000 1.021 352 R CA -2.026 54.041 56.100 -0.055 0.000 0.893 352 R CB 0.779 31.047 30.300 -0.052 0.000 1.244 352 R HN 0.133 nan 8.270 nan 0.000 0.464 353 P HA -0.031 nan 4.420 nan 0.000 0.263 353 P C -0.216 176.822 177.300 -0.437 0.000 1.195 353 P CA -0.096 62.414 63.100 -0.983 0.000 0.762 353 P CB 0.900 32.284 31.700 -0.527 0.000 0.799 354 V N 3.659 123.441 119.914 -0.220 0.000 3.058 354 V HA 0.148 4.267 4.120 -0.000 0.000 0.233 354 V C 0.580 176.695 176.094 0.036 0.000 1.255 354 V CA 0.474 62.753 62.300 -0.035 0.000 1.267 354 V CB 0.806 32.738 31.823 0.180 0.000 1.049 354 V HN 0.323 nan 8.190 nan 0.000 0.486 355 V N 0.960 120.960 119.914 0.143 0.000 2.808 355 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 355 V C -0.925 175.309 176.094 0.233 0.000 1.099 355 V CA -0.679 61.724 62.300 0.172 0.000 0.920 355 V CB 2.144 34.097 31.823 0.216 0.000 1.014 355 V HN 0.409 nan 8.190 nan 0.000 0.425 356 R N 3.462 124.052 120.500 0.150 0.000 2.428 356 R HA 0.697 5.037 4.340 -0.000 0.000 0.294 356 R C -0.497 175.928 176.300 0.208 0.000 1.000 356 R CA 0.021 56.209 56.100 0.147 0.000 0.960 356 R CB 1.646 31.962 30.300 0.026 0.000 1.076 356 R HN 0.860 nan 8.270 nan 0.000 0.475 357 S N 4.872 120.721 115.700 0.249 0.000 2.669 357 S HA 0.363 4.833 4.470 -0.000 0.000 0.315 357 S C -0.874 173.874 174.600 0.246 0.000 1.106 357 S CA -0.784 57.596 58.200 0.300 0.000 1.107 357 S CB 0.619 64.072 63.200 0.423 0.000 0.990 357 S HN 0.504 nan 8.310 nan 0.000 0.471 358 F N 5.163 125.197 119.950 0.140 0.000 2.492 358 F HA 0.863 5.389 4.527 -0.000 0.000 0.327 358 F C -1.156 174.787 175.800 0.237 0.000 1.079 358 F CA -0.836 57.198 58.000 0.058 0.000 0.967 358 F CB 1.366 40.451 39.000 0.142 0.000 1.169 358 F HN 0.782 nan 8.300 nan 0.000 0.472 359 Y N 0.992 120.540 120.300 -1.254 0.000 2.661 359 Y HA 0.358 4.908 4.550 0.000 0.000 0.339 359 Y C -2.144 173.206 175.900 -0.916 0.000 1.186 359 Y CA -1.810 55.685 58.100 -1.008 0.000 1.137 359 Y CB 0.252 38.474 38.460 -0.396 0.000 1.354 359 Y HN 0.598 nan 8.280 nan 0.000 0.469 360 N N 1.869 120.266 118.700 -0.505 0.000 2.434 360 N HA 0.482 5.222 4.740 -0.000 0.000 0.272 360 N C -1.163 174.304 175.510 -0.073 0.000 1.040 360 N CA -0.938 51.928 53.050 -0.306 0.000 0.956 360 N CB 1.179 39.521 38.487 -0.242 0.000 1.108 360 N HN 0.620 nan 8.380 nan 0.000 0.481 361 R N 1.436 121.891 120.500 -0.075 0.000 2.514 361 R HA 0.467 4.807 4.340 -0.000 0.000 0.301 361 R C -1.259 174.980 176.300 -0.102 0.000 0.962 361 R CA -0.411 55.691 56.100 0.004 0.000 0.882 361 R CB 0.992 31.337 30.300 0.076 0.000 1.143 361 R HN 0.403 nan 8.270 nan 0.000 0.452 362 T N 2.638 117.125 114.554 -0.112 0.000 2.824 362 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 362 T C -0.947 173.461 174.700 -0.486 0.000 0.993 362 T CA -0.599 61.315 62.100 -0.311 0.000 0.967 362 T CB 1.686 70.382 68.868 -0.286 0.000 0.960 362 T HN 0.706 nan 8.240 nan 0.000 0.441 363 A N 2.953 125.410 122.820 -0.604 0.000 2.340 363 A HA 0.934 5.253 4.320 -0.000 0.000 0.331 363 A C -1.185 175.996 177.584 -0.672 0.000 1.140 363 A CA -0.740 51.028 52.037 -0.449 0.000 0.801 363 A CB 0.682 19.553 19.000 -0.214 0.000 1.234 363 A HN 0.746 nan 8.150 nan 0.000 0.469 364 F N 0.080 120.047 119.950 0.027 0.000 2.565 364 F HA 0.747 5.274 4.527 -0.000 0.000 0.313 364 F C 0.054 175.890 175.800 0.060 0.000 1.091 364 F CA -0.343 57.682 58.000 0.042 0.000 0.915 364 F CB 2.346 41.381 39.000 0.058 0.000 1.208 364 F HN 0.685 nan 8.300 nan 0.000 0.453 365 Q N 2.671 122.602 119.800 0.218 0.000 2.518 365 Q HA 0.328 4.668 4.340 -0.000 0.000 0.254 365 Q C -2.236 173.835 176.000 0.117 0.000 0.962 365 Q CA -0.914 54.985 55.803 0.160 0.000 0.982 365 Q CB 2.241 31.045 28.738 0.109 0.000 1.516 365 Q HN 0.793 nan 8.270 nan 0.000 0.426 366 L N 5.500 126.792 121.223 0.115 0.000 2.369 366 L HA 0.455 4.795 4.340 -0.000 0.000 0.279 366 L C -2.386 174.519 176.870 0.058 0.000 1.108 366 L CA -1.002 53.887 54.840 0.081 0.000 0.852 366 L CB 0.515 42.627 42.059 0.089 0.000 1.169 366 L HN 0.453 nan 8.230 nan 0.000 0.452 367 P HA 0.175 nan 4.420 nan 0.000 0.262 367 P C 0.585 177.899 177.300 0.024 0.000 1.182 367 P CA 0.934 64.052 63.100 0.031 0.000 0.761 367 P CB 0.532 32.246 31.700 0.025 0.000 0.795 368 G N 1.302 110.112 108.800 0.016 0.000 2.143 368 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 368 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 368 G C -0.250 174.652 174.900 0.003 0.000 0.991 368 G CA 0.114 45.218 45.100 0.007 0.000 0.689 368 G HN 0.674 nan 8.290 nan 0.000 0.522 369 D N -0.891 119.515 120.400 0.010 0.000 2.602 369 D HA 0.678 5.317 4.640 -0.000 0.000 0.245 369 D C 0.495 176.800 176.300 0.008 0.000 1.325 369 D CA 0.314 54.319 54.000 0.008 0.000 0.952 369 D CB 0.938 41.758 40.800 0.034 0.000 1.317 369 D HN 0.496 nan 8.370 nan 0.000 0.577 370 A N 3.975 126.779 122.820 -0.027 0.000 2.430 370 A HA 0.151 4.471 4.320 -0.000 0.000 0.243 370 A C 1.752 179.314 177.584 -0.037 0.000 1.254 370 A CA -0.111 51.907 52.037 -0.031 0.000 0.914 370 A CB 0.045 19.005 19.000 -0.068 0.000 0.998 370 A HN 0.542 nan 8.150 nan 0.000 0.515 371 R N -0.934 119.546 120.500 -0.034 0.000 2.170 371 R HA -0.030 4.310 4.340 -0.000 0.000 0.242 371 R C 0.237 176.521 176.300 -0.027 0.000 1.145 371 R CA 1.541 57.619 56.100 -0.038 0.000 0.984 371 R CB -0.098 30.184 30.300 -0.029 0.000 0.869 371 R HN 0.366 nan 8.270 nan 0.000 0.455 372 V N 0.376 120.296 119.914 0.009 0.000 2.752 372 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 372 V C -1.705 174.439 176.094 0.082 0.000 1.133 372 V CA -0.903 61.406 62.300 0.016 0.000 0.919 372 V CB 1.918 33.725 31.823 -0.026 0.000 1.026 372 V HN 0.071 nan 8.190 nan 0.000 0.429 373 R N 6.527 127.074 120.500 0.079 0.000 2.514 373 R HA 0.730 5.070 4.340 -0.000 0.000 0.296 373 R C -1.137 175.246 176.300 0.139 0.000 1.012 373 R CA -0.426 55.743 56.100 0.116 0.000 0.897 373 R CB 2.203 32.553 30.300 0.083 0.000 1.184 373 R HN 0.715 nan 8.270 nan 0.000 0.440 374 I N 1.140 121.843 120.570 0.221 0.000 2.693 374 I HA 0.526 4.696 4.170 -0.000 0.000 0.303 374 I C -0.158 176.177 176.117 0.364 0.000 1.025 374 I CA -0.876 60.575 61.300 0.252 0.000 1.086 374 I CB 2.357 40.481 38.000 0.207 0.000 1.268 374 I HN 0.625 nan 8.210 nan 0.000 0.440 375 S N 4.844 120.718 115.700 0.290 0.000 2.548 375 S HA 0.714 5.184 4.470 -0.000 0.000 0.276 375 S C -1.382 173.368 174.600 0.250 0.000 1.129 375 S CA -0.710 57.643 58.200 0.255 0.000 0.931 375 S CB 2.139 65.409 63.200 0.117 0.000 1.068 375 S HN 0.497 nan 8.310 nan 0.000 0.480 376 L N 2.485 123.879 121.223 0.285 0.000 2.343 376 L HA 0.655 4.995 4.340 -0.000 0.000 0.278 376 L C -1.749 175.182 176.870 0.102 0.000 0.996 376 L CA -0.140 54.824 54.840 0.206 0.000 0.831 376 L CB 1.577 43.817 42.059 0.302 0.000 1.232 376 L HN 0.760 nan 8.230 nan 0.000 0.413 377 D N 3.590 124.008 120.400 0.030 0.000 2.303 377 D HA 0.526 5.166 4.640 -0.000 0.000 0.236 377 D C -0.136 176.146 176.300 -0.029 0.000 1.068 377 D CA -0.031 53.957 54.000 -0.020 0.000 0.830 377 D CB 1.757 42.389 40.800 -0.279 0.000 1.109 377 D HN 0.629 nan 8.370 nan 0.000 0.496 378 T N -1.731 112.801 114.554 -0.037 0.000 2.940 378 T HA 0.353 4.703 4.350 -0.000 0.000 0.288 378 T C 0.119 174.707 174.700 -0.188 0.000 1.045 378 T CA -0.946 61.100 62.100 -0.091 0.000 1.018 378 T CB 1.530 70.333 68.868 -0.108 0.000 1.151 378 T HN 0.384 nan 8.240 nan 0.000 0.529 379 E N -0.180 119.875 120.200 -0.243 0.000 2.149 379 E HA -0.237 4.112 4.350 -0.000 0.000 0.191 379 E C -0.469 176.116 176.600 -0.025 0.000 1.384 379 E CA -0.003 56.196 56.400 -0.335 0.000 0.698 379 E CB -2.040 26.792 29.700 -1.447 0.000 1.086 379 E HN 0.617 nan 8.360 nan 0.000 0.338 380 L N 0.923 122.220 121.223 0.123 0.000 2.416 380 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 380 L C -0.161 176.942 176.870 0.388 0.000 1.161 380 L CA 0.690 55.650 54.840 0.201 0.000 0.845 380 L CB 1.175 43.270 42.059 0.060 0.000 1.119 380 L HN 0.271 nan 8.230 nan 0.000 0.464 381 T N 5.738 120.561 114.554 0.449 0.000 2.993 381 T HA 0.586 4.936 4.350 -0.000 0.000 0.312 381 T C -0.775 174.140 174.700 0.358 0.000 1.115 381 T CA -0.472 61.923 62.100 0.492 0.000 1.027 381 T CB 1.427 70.740 68.868 0.741 0.000 1.116 381 T HN 0.472 nan 8.240 nan 0.000 0.464 382 M N 2.902 122.666 119.600 0.273 0.000 2.243 382 M HA 0.681 5.160 4.480 -0.000 0.000 0.324 382 M C -0.606 175.763 176.300 0.114 0.000 1.031 382 M CA -0.772 54.641 55.300 0.189 0.000 0.949 382 M CB 1.983 34.686 32.600 0.172 0.000 1.615 382 M HN 0.426 nan 8.290 nan 0.000 0.430 383 V N 3.714 123.661 119.914 0.054 0.000 2.656 383 V HA 0.635 4.755 4.120 -0.000 0.000 0.307 383 V C -0.439 175.644 176.094 -0.019 0.000 1.051 383 V CA -0.826 61.466 62.300 -0.012 0.000 0.893 383 V CB 1.900 33.658 31.823 -0.108 0.000 0.999 383 V HN 0.868 nan 8.190 nan 0.000 0.426 384 R N 3.549 124.029 120.500 -0.033 0.000 2.640 384 R HA 0.163 4.503 4.340 -0.000 0.000 0.270 384 R C -0.091 176.158 176.300 -0.084 0.000 1.024 384 R CA 0.328 56.398 56.100 -0.049 0.000 1.085 384 R CB 0.495 30.761 30.300 -0.057 0.000 0.963 384 R HN 0.838 nan 8.270 nan 0.000 0.426 385 E N 0.547 120.684 120.200 -0.104 0.000 2.702 385 E HA 0.001 4.350 4.350 -0.000 0.000 0.225 385 E C -0.664 175.796 176.600 -0.234 0.000 0.942 385 E CA -0.018 56.292 56.400 -0.149 0.000 1.210 385 E CB 0.362 29.991 29.700 -0.118 0.000 1.143 385 E HN 0.630 nan 8.360 nan 0.000 0.544 386 D N -0.259 119.976 120.400 -0.276 0.000 2.511 386 D HA 0.068 4.708 4.640 -0.000 0.000 0.276 386 D C 0.417 176.422 176.300 -0.491 0.000 1.220 386 D CA -0.348 53.345 54.000 -0.512 0.000 1.077 386 D CB 0.515 40.890 40.800 -0.708 0.000 1.126 386 D HN 0.036 nan 8.370 nan 0.000 0.583 387 N N -1.601 116.676 118.700 -0.706 0.000 2.307 387 N HA 0.044 4.784 4.740 -0.000 0.000 0.248 387 N C -0.815 174.527 175.510 -0.280 0.000 1.322 387 N CA -0.535 52.274 53.050 -0.402 0.000 0.861 387 N CB -0.715 37.597 38.487 -0.292 0.000 1.303 387 N HN 0.147 nan 8.380 nan 0.000 0.498 388 F N 1.030 120.952 119.950 -0.047 0.000 2.727 388 F HA 0.310 4.837 4.527 -0.000 0.000 0.349 388 F C 0.742 176.519 175.800 -0.039 0.000 1.172 388 F CA -0.502 57.475 58.000 -0.037 0.000 1.355 388 F CB -0.300 38.678 39.000 -0.037 0.000 1.546 388 F HN 0.108 nan 8.300 nan 0.000 0.596 389 D N -1.391 119.047 120.400 0.063 0.000 2.520 389 D HA 0.145 4.785 4.640 -0.000 0.000 0.386 389 D C 1.702 177.999 176.300 -0.004 0.000 1.267 389 D CA 0.855 54.868 54.000 0.022 0.000 0.958 389 D CB 0.150 40.944 40.800 -0.010 0.000 1.462 389 D HN 0.288 nan 8.370 nan 0.000 0.438 390 G N 0.381 109.175 108.800 -0.009 0.000 2.396 390 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.242 390 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.242 390 G C 0.405 175.273 174.900 -0.053 0.000 1.069 390 G CA 0.452 45.540 45.100 -0.021 0.000 0.633 390 G HN 0.458 nan 8.290 nan 0.000 0.517 391 V N 1.933 121.805 119.914 -0.071 0.000 2.521 391 V HA 0.384 4.504 4.120 -0.000 0.000 0.286 391 V C 0.412 176.403 176.094 -0.171 0.000 1.034 391 V CA 0.469 62.706 62.300 -0.106 0.000 1.045 391 V CB 1.542 33.307 31.823 -0.097 0.000 0.974 391 V HN 0.359 nan 8.190 nan 0.000 0.480 392 D N 4.201 124.463 120.400 -0.231 0.000 2.524 392 D HA 0.229 4.869 4.640 -0.000 0.000 0.222 392 D C 1.334 177.324 176.300 -0.517 0.000 1.142 392 D CA -0.242 53.559 54.000 -0.332 0.000 0.973 392 D CB 0.346 40.964 40.800 -0.304 0.000 1.025 392 D HN 0.415 nan 8.370 nan 0.000 0.519 393 R N 0.177 120.470 120.500 -0.345 0.000 2.189 393 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 393 R C 1.820 177.959 176.300 -0.268 0.000 1.092 393 R CA 1.553 57.480 56.100 -0.289 0.000 0.989 393 R CB -0.011 30.169 30.300 -0.200 0.000 0.876 393 R HN 0.377 nan 8.270 nan 0.000 0.457 394 T N -3.896 110.500 114.554 -0.264 0.000 3.037 394 T HA -0.012 4.338 4.350 -0.000 0.000 0.252 394 T C 0.308 174.973 174.700 -0.059 0.000 1.073 394 T CA -0.181 61.824 62.100 -0.159 0.000 1.091 394 T CB 0.099 68.884 68.868 -0.139 0.000 0.935 394 T HN 0.248 nan 8.240 nan 0.000 0.488 395 H N 2.007 121.034 119.070 -0.071 0.000 2.677 395 H HA -0.156 4.400 4.556 -0.000 0.000 0.321 395 H C 1.172 176.482 175.328 -0.031 0.000 1.171 395 H CA 1.235 57.253 56.048 -0.049 0.000 1.139 395 H CB -2.260 27.472 29.762 -0.050 0.000 1.515 395 H HN 0.959 nan 8.280 nan 0.000 0.423 396 K N -1.283 119.145 120.400 0.046 0.000 3.230 396 K HA -0.287 4.033 4.320 -0.000 0.000 0.285 396 K C 0.282 176.930 176.600 0.080 0.000 1.196 396 K CA 2.302 58.623 56.287 0.057 0.000 0.838 396 K CB -2.601 29.939 32.500 0.066 0.000 1.262 396 K HN 1.171 nan 8.250 nan 0.000 0.492 397 N N -2.969 115.772 118.700 0.068 0.000 2.774 397 N HA 0.703 5.443 4.740 -0.000 0.000 0.264 397 N C 0.837 176.425 175.510 0.130 0.000 1.415 397 N CA -0.499 52.624 53.050 0.120 0.000 0.815 397 N CB 0.750 39.283 38.487 0.077 0.000 1.514 397 N HN 0.462 nan 8.380 nan 0.000 0.523 398 W N 0.527 121.886 121.300 0.098 0.000 2.825 398 W HA 0.164 4.824 4.660 -0.001 0.000 0.243 398 W C -0.508 176.088 176.519 0.129 0.000 1.293 398 W CA -0.103 57.354 57.345 0.186 0.000 1.403 398 W CB -0.668 28.941 29.460 0.249 0.000 1.134 398 W HN 0.657 nan 8.180 nan 0.000 0.666 399 R N -0.052 120.115 120.500 -0.555 0.000 2.629 399 R HA 0.482 4.821 4.340 -0.000 0.000 0.266 399 R C -0.629 175.442 176.300 -0.381 0.000 1.051 399 R CA -1.041 54.722 56.100 -0.562 0.000 0.895 399 R CB 0.901 30.564 30.300 -1.062 0.000 1.246 399 R HN -0.179 nan 8.270 nan 0.000 0.459 400 R N 0.624 120.976 120.500 -0.246 0.000 2.698 400 R HA 0.067 4.407 4.340 -0.000 0.000 0.266 400 R C 0.081 176.272 176.300 -0.181 0.000 1.026 400 R CA 0.802 56.797 56.100 -0.175 0.000 1.102 400 R CB 0.524 30.737 30.300 -0.145 0.000 0.978 400 R HN 0.714 nan 8.270 nan 0.000 0.436 401 T N 0.090 114.573 114.554 -0.118 0.000 2.990 401 T HA -0.054 4.296 4.350 -0.000 0.000 0.249 401 T C 0.716 175.375 174.700 -0.069 0.000 1.039 401 T CA 0.423 62.457 62.100 -0.109 0.000 1.036 401 T CB 0.094 68.910 68.868 -0.087 0.000 0.994 401 T HN 0.693 nan 8.240 nan 0.000 0.489 402 D N 2.162 122.533 120.400 -0.048 0.000 2.371 402 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 402 D C 0.841 177.130 176.300 -0.019 0.000 0.986 402 D CA 0.210 54.193 54.000 -0.028 0.000 0.899 402 D CB -0.488 40.302 40.800 -0.017 0.000 0.902 402 D HN 0.625 nan 8.370 nan 0.000 0.530 403 I N -5.832 114.717 120.570 -0.036 0.000 3.174 403 I HA 0.799 4.969 4.170 -0.000 0.000 0.313 403 I C 0.239 176.367 176.117 0.019 0.000 1.155 403 I CA -1.193 60.111 61.300 0.007 0.000 0.977 403 I CB 2.218 40.162 38.000 -0.095 0.000 1.248 403 I HN -0.156 nan 8.210 nan 0.000 0.453 404 G N 1.054 109.932 108.800 0.129 0.000 2.607 404 G HA2 0.228 4.187 3.960 -0.000 0.000 0.162 404 G HA3 0.228 4.187 3.960 -0.000 0.000 0.162 404 G C -0.068 175.013 174.900 0.300 0.000 1.583 404 G CA 0.762 45.962 45.100 0.166 0.000 0.779 404 G HN 0.649 nan 8.290 nan 0.000 0.747 405 V N 2.237 122.316 119.914 0.275 0.000 3.329 405 V HA 0.237 4.356 4.120 -0.000 0.000 0.317 405 V C -0.663 175.389 176.094 -0.070 0.000 1.495 405 V CA 0.499 62.902 62.300 0.171 0.000 1.105 405 V CB 0.490 32.462 31.823 0.248 0.000 0.985 405 V HN 0.534 nan 8.190 nan 0.000 0.475 406 D N 0.348 120.724 120.400 -0.039 0.000 2.600 406 D HA -0.061 4.579 4.640 -0.000 0.000 0.226 406 D C 0.054 175.783 176.300 -0.953 0.000 1.119 406 D CA -0.464 53.367 54.000 -0.281 0.000 1.051 406 D CB -0.279 40.470 40.800 -0.085 0.000 1.106 406 D HN 0.558 nan 8.370 nan 0.000 0.491 407 W N 3.308 123.838 121.300 -1.283 0.000 2.181 407 W HA 0.201 4.860 4.660 -0.001 0.000 0.335 407 W C -1.555 174.646 176.519 -0.530 0.000 1.310 407 W CA -1.619 54.986 57.345 -1.234 0.000 1.226 407 W CB 0.839 30.017 29.460 -0.470 0.000 1.155 407 W HN 0.196 nan 8.180 nan 0.000 0.565 408 P HA 0.159 nan 4.420 nan 0.000 0.227 408 P C -0.962 175.934 177.300 -0.673 0.000 1.801 408 P CA -0.353 61.748 63.100 -1.666 0.000 0.971 408 P CB -0.812 29.773 31.700 -1.859 0.000 1.653 409 F N -0.197 119.579 119.950 -0.290 0.000 2.489 409 F HA -0.240 4.286 4.527 -0.001 0.000 0.203 409 F C 1.292 176.993 175.800 -0.165 0.000 1.030 409 F CA 0.589 58.483 58.000 -0.177 0.000 0.877 409 F CB -2.033 36.890 39.000 -0.129 0.000 0.855 409 F HN 0.118 nan 8.300 nan 0.000 0.832 410 K N 0.802 121.161 120.400 -0.068 0.000 2.366 410 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 410 K C 1.990 178.573 176.600 -0.027 0.000 1.044 410 K CA 0.924 57.167 56.287 -0.073 0.000 0.973 410 K CB -0.047 32.385 32.500 -0.113 0.000 0.767 410 K HN 0.672 nan 8.250 nan 0.000 0.475 411 Q N 0.960 120.759 119.800 -0.001 0.000 2.466 411 Q HA -0.018 4.322 4.340 -0.000 0.000 0.210 411 Q C 0.098 176.099 176.000 0.002 0.000 0.961 411 Q CA 0.498 56.300 55.803 -0.001 0.000 0.953 411 Q CB 0.018 28.759 28.738 0.005 0.000 1.011 411 Q HN 0.137 nan 8.270 nan 0.000 0.516 412 L N 2.398 123.627 121.223 0.009 0.000 2.325 412 L HA 0.343 4.683 4.340 -0.000 0.000 0.279 412 L C -0.106 176.758 176.870 -0.009 0.000 1.054 412 L CA -0.427 54.412 54.840 -0.001 0.000 0.804 412 L CB 1.308 43.370 42.059 0.005 0.000 1.200 412 L HN 0.031 nan 8.230 nan 0.000 0.436 413 D N 1.610 122.000 120.400 -0.015 0.000 2.443 413 D HA -0.012 4.628 4.640 -0.000 0.000 0.239 413 D C 0.827 177.120 176.300 -0.011 0.000 1.136 413 D CA -0.153 53.838 54.000 -0.015 0.000 0.879 413 D CB 0.971 41.759 40.800 -0.019 0.000 1.195 413 D HN 0.353 nan 8.370 nan 0.000 0.443 414 D N 1.143 121.537 120.400 -0.010 0.000 2.221 414 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 414 D C 1.668 177.965 176.300 -0.004 0.000 0.982 414 D CA 0.971 54.968 54.000 -0.005 0.000 0.857 414 D CB 0.101 40.897 40.800 -0.007 0.000 0.934 414 D HN 0.493 nan 8.370 nan 0.000 0.475 415 K N 0.547 120.942 120.400 -0.010 0.000 2.288 415 K HA -0.120 4.199 4.320 -0.000 0.000 0.201 415 K C 0.453 177.044 176.600 -0.015 0.000 1.048 415 K CA 0.995 57.275 56.287 -0.012 0.000 0.956 415 K CB 0.296 32.787 32.500 -0.015 0.000 0.746 415 K HN -0.118 nan 8.250 nan 0.000 0.461 416 D N 0.167 120.557 120.400 -0.017 0.000 2.379 416 D HA 0.164 4.804 4.640 -0.000 0.000 0.208 416 D C -0.090 176.203 176.300 -0.013 0.000 1.065 416 D CA 0.198 54.183 54.000 -0.025 0.000 0.848 416 D CB 0.652 41.428 40.800 -0.040 0.000 0.949 416 D HN 0.235 nan 8.370 nan 0.000 0.509 417 I N -0.035 120.540 120.570 0.008 0.000 2.730 417 I HA 0.359 4.529 4.170 -0.000 0.000 0.298 417 I C -1.588 174.568 176.117 0.066 0.000 1.089 417 I CA -0.993 60.331 61.300 0.040 0.000 1.041 417 I CB 2.168 40.199 38.000 0.051 0.000 1.235 417 I HN -0.147 nan 8.210 nan 0.000 0.423 418 C N 7.269 126.638 119.300 0.115 0.000 2.437 418 C HA 0.575 5.035 4.460 -0.000 0.000 0.307 418 C C -0.326 174.801 174.990 0.230 0.000 1.093 418 C CA -0.687 58.422 59.018 0.152 0.000 1.463 418 C CB -0.270 27.568 27.740 0.163 0.000 1.926 418 C HN 0.829 nan 8.230 nan 0.000 0.420 419 R N 3.723 124.336 120.500 0.188 0.000 2.343 419 R HA 0.307 4.646 4.340 -0.000 0.000 0.326 419 R C -0.446 175.972 176.300 0.197 0.000 1.055 419 R CA -0.125 56.116 56.100 0.235 0.000 0.961 419 R CB -0.091 30.301 30.300 0.154 0.000 0.978 419 R HN 0.690 nan 8.270 nan 0.000 0.443 420 F N 5.432 125.435 119.950 0.088 0.000 2.504 420 F HA 0.209 4.736 4.527 -0.000 0.000 0.369 420 F C -1.228 174.440 175.800 -0.220 0.000 1.082 420 F CA -2.330 55.632 58.000 -0.063 0.000 1.216 420 F CB 0.960 39.925 39.000 -0.059 0.000 1.108 420 F HN 0.507 nan 8.300 nan 0.000 0.554 421 P HA -0.159 nan 4.420 nan 0.000 0.215 421 P C -0.949 175.756 177.300 -0.991 0.000 1.153 421 P CA 1.691 64.153 63.100 -1.063 0.000 0.853 421 P CB -0.010 30.686 31.700 -1.672 0.000 0.788 422 Y N -1.615 118.291 120.300 -0.656 0.000 2.602 422 Y HA 0.652 5.202 4.550 -0.000 0.000 0.330 422 Y C 0.748 176.597 175.900 -0.085 0.000 1.114 422 Y CA -1.997 55.888 58.100 -0.358 0.000 1.182 422 Y CB 0.230 38.438 38.460 -0.420 0.000 1.305 422 Y HN -0.200 nan 8.280 nan 0.000 0.502 423 A N 0.466 123.360 122.820 0.123 0.000 2.271 423 A HA 0.688 5.008 4.320 -0.000 0.000 0.288 423 A C -1.026 176.619 177.584 0.102 0.000 1.094 423 A CA -0.581 51.507 52.037 0.085 0.000 0.828 423 A CB 0.368 19.401 19.000 0.055 0.000 1.091 423 A HN 0.518 nan 8.150 nan 0.000 0.493 424 V N 1.749 121.688 119.914 0.041 0.000 2.409 424 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 424 V C -0.585 175.550 176.094 0.069 0.000 1.020 424 V CA -0.354 61.976 62.300 0.051 0.000 0.848 424 V CB 1.008 32.802 31.823 -0.049 0.000 0.990 424 V HN 0.764 nan 8.190 nan 0.000 0.430 425 L N 4.558 125.859 121.223 0.130 0.000 2.295 425 L HA 0.656 4.996 4.340 -0.000 0.000 0.285 425 L C -0.233 176.765 176.870 0.213 0.000 1.035 425 L CA 0.316 55.242 54.840 0.142 0.000 0.806 425 L CB 1.455 43.569 42.059 0.092 0.000 1.214 425 L HN 0.792 nan 8.230 nan 0.000 0.426 426 E N 4.103 124.403 120.200 0.167 0.000 2.218 426 E HA 0.473 4.823 4.350 -0.000 0.000 0.263 426 E C -1.807 174.888 176.600 0.157 0.000 0.879 426 E CA -0.727 55.772 56.400 0.165 0.000 0.762 426 E CB 1.797 31.555 29.700 0.098 0.000 1.166 426 E HN 0.516 nan 8.360 nan 0.000 0.415 427 V N 5.035 125.065 119.914 0.193 0.000 2.370 427 V HA 0.336 4.456 4.120 -0.000 0.000 0.279 427 V C -0.417 175.725 176.094 0.080 0.000 1.029 427 V CA -0.626 61.743 62.300 0.116 0.000 0.870 427 V CB 1.340 33.215 31.823 0.087 0.000 0.984 427 V HN 0.577 nan 8.190 nan 0.000 0.451 428 K N 6.341 126.776 120.400 0.057 0.000 2.425 428 K HA 0.667 4.986 4.320 -0.000 0.000 0.259 428 K C -1.116 175.498 176.600 0.024 0.000 0.978 428 K CA -0.435 55.879 56.287 0.044 0.000 0.883 428 K CB 1.800 34.332 32.500 0.054 0.000 1.110 428 K HN 0.481 nan 8.250 nan 0.000 0.436 429 L N 1.939 123.169 121.223 0.012 0.000 2.358 429 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 429 L C -0.301 176.580 176.870 0.019 0.000 1.032 429 L CA -0.837 53.999 54.840 -0.006 0.000 0.805 429 L CB 1.651 43.692 42.059 -0.030 0.000 1.253 429 L HN 0.617 nan 8.230 nan 0.000 0.452 430 Q N 1.042 120.845 119.800 0.006 0.000 2.334 430 Q HA 0.367 4.707 4.340 -0.000 0.000 0.249 430 Q C -1.882 174.121 176.000 0.005 0.000 0.909 430 Q CA -0.390 55.432 55.803 0.031 0.000 0.823 430 Q CB 1.955 30.677 28.738 -0.027 0.000 1.353 430 Q HN 0.681 nan 8.270 nan 0.000 0.433 431 T N 3.086 117.680 114.554 0.067 0.000 2.841 431 T HA 0.319 4.669 4.350 -0.000 0.000 0.285 431 T C -0.617 174.149 174.700 0.111 0.000 0.991 431 T CA -0.603 61.524 62.100 0.046 0.000 0.966 431 T CB 1.679 70.560 68.868 0.021 0.000 0.962 431 T HN 0.531 nan 8.240 nan 0.000 0.438 432 Q N 2.278 122.127 119.800 0.082 0.000 2.311 432 Q HA 0.251 4.590 4.340 -0.000 0.000 0.272 432 Q C 0.006 176.051 176.000 0.075 0.000 1.012 432 Q CA -0.269 55.604 55.803 0.116 0.000 0.891 432 Q CB 0.575 29.358 28.738 0.074 0.000 1.201 432 Q HN 0.555 nan 8.270 nan 0.000 0.391 433 L N 1.594 122.862 121.223 0.076 0.000 2.578 433 L HA -0.098 4.241 4.340 -0.000 0.000 0.279 433 L C 1.398 178.286 176.870 0.030 0.000 1.227 433 L CA 0.927 55.792 54.840 0.042 0.000 0.900 433 L CB -0.328 41.750 42.059 0.032 0.000 1.144 433 L HN 1.100 nan 8.230 nan 0.000 0.496 434 G N 1.765 110.575 108.800 0.018 0.000 2.217 434 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.246 434 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.246 434 G C 0.050 174.956 174.900 0.009 0.000 0.990 434 G CA 0.174 45.281 45.100 0.012 0.000 0.627 434 G HN 0.578 nan 8.290 nan 0.000 0.522 435 Q N 0.693 120.499 119.800 0.011 0.000 2.241 435 Q HA 0.739 5.079 4.340 -0.000 0.000 0.262 435 Q C -0.060 175.937 176.000 -0.006 0.000 1.014 435 Q CA -0.456 55.349 55.803 0.003 0.000 0.885 435 Q CB 0.970 29.711 28.738 0.005 0.000 1.311 435 Q HN 0.525 nan 8.270 nan 0.000 0.461 436 E N 1.115 121.304 120.200 -0.018 0.000 2.263 436 E HA 0.507 4.857 4.350 -0.000 0.000 0.264 436 E C -2.331 174.235 176.600 -0.057 0.000 0.923 436 E CA -2.144 54.235 56.400 -0.035 0.000 0.802 436 E CB 1.164 30.841 29.700 -0.038 0.000 1.228 436 E HN 0.435 nan 8.360 nan 0.000 0.417 437 P HA 0.135 nan 4.420 nan 0.000 0.271 437 P C -2.551 174.637 177.300 -0.187 0.000 1.218 437 P CA -1.196 61.821 63.100 -0.139 0.000 0.780 437 P CB -0.312 31.290 31.700 -0.164 0.000 0.901 438 P HA -0.096 nan 4.420 nan 0.000 0.260 438 P C 1.042 178.119 177.300 -0.372 0.000 1.172 438 P CA 0.497 63.431 63.100 -0.277 0.000 0.760 438 P CB 0.332 31.793 31.700 -0.399 0.000 0.773 439 E N 3.579 123.682 120.200 -0.161 0.000 2.171 439 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 439 E C 1.559 178.083 176.600 -0.128 0.000 0.997 439 E CA 1.463 57.796 56.400 -0.113 0.000 0.810 439 E CB -0.164 29.525 29.700 -0.018 0.000 0.738 439 E HN 0.668 nan 8.360 nan 0.000 0.467 440 W N 0.493 121.683 121.300 -0.184 0.000 2.363 440 W HA -0.121 4.539 4.660 -0.000 0.000 0.296 440 W C 1.581 177.978 176.519 -0.204 0.000 1.212 440 W CA 0.861 58.064 57.345 -0.236 0.000 1.260 440 W CB -0.974 28.164 29.460 -0.536 0.000 1.131 440 W HN -0.156 nan 8.180 nan 0.000 0.530 441 V N 2.479 121.686 119.914 -1.178 0.000 2.307 441 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 441 V C 2.825 178.636 176.094 -0.471 0.000 1.045 441 V CA 2.343 63.995 62.300 -1.079 0.000 1.024 441 V CB -1.134 29.961 31.823 -1.213 0.000 0.651 441 V HN 0.061 nan 8.190 nan 0.000 0.449 442 R N 0.199 120.480 120.500 -0.364 0.000 2.096 442 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 442 R C 2.418 178.634 176.300 -0.139 0.000 1.139 442 R CA 2.073 58.053 56.100 -0.200 0.000 0.952 442 R CB -0.436 29.772 30.300 -0.153 0.000 0.854 442 R HN 0.636 nan 8.270 nan 0.000 0.436 443 E N 0.704 120.836 120.200 -0.112 0.000 2.058 443 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 443 E C 1.953 178.523 176.600 -0.050 0.000 0.997 443 E CA 1.163 57.535 56.400 -0.047 0.000 0.801 443 E CB -0.025 29.678 29.700 0.005 0.000 0.746 443 E HN 0.145 nan 8.360 nan 0.000 0.450 444 L N 0.314 121.503 121.223 -0.058 0.000 2.046 444 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 444 L C 2.188 178.955 176.870 -0.171 0.000 1.077 444 L CA 1.393 56.190 54.840 -0.072 0.000 0.747 444 L CB -0.458 41.601 42.059 -0.000 0.000 0.896 444 L HN 0.027 nan 8.230 nan 0.000 0.432 445 V N 0.179 119.961 119.914 -0.220 0.000 2.626 445 V HA -0.120 4.000 4.120 -0.000 0.000 0.252 445 V C 2.274 178.290 176.094 -0.130 0.000 1.067 445 V CA 1.607 63.737 62.300 -0.283 0.000 1.081 445 V CB -1.029 30.674 31.823 -0.200 0.000 0.686 445 V HN 0.666 nan 8.190 nan 0.000 0.468 446 G N -0.333 108.419 108.800 -0.081 0.000 3.088 446 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 446 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 446 G C 0.729 175.616 174.900 -0.021 0.000 1.159 446 G CA 0.653 45.734 45.100 -0.032 0.000 0.760 446 G HN 0.593 nan 8.290 nan 0.000 0.550 447 S N -0.319 115.351 115.700 -0.050 0.000 2.661 447 S HA 0.144 4.614 4.470 -0.000 0.000 0.265 447 S C 1.528 176.114 174.600 -0.024 0.000 1.225 447 S CA 0.056 58.239 58.200 -0.027 0.000 0.986 447 S CB 0.542 63.690 63.200 -0.087 0.000 1.008 447 S HN 0.487 nan 8.310 nan 0.000 0.565 448 H N 0.064 119.121 119.070 -0.023 0.000 2.548 448 H HA 0.173 4.729 4.556 -0.000 0.000 0.268 448 H C 1.561 176.878 175.328 -0.018 0.000 0.975 448 H CA 0.560 56.596 56.048 -0.019 0.000 1.195 448 H CB -0.538 29.214 29.762 -0.018 0.000 1.397 448 H HN 0.524 nan 8.280 nan 0.000 0.572 449 L N 1.399 122.288 121.223 -0.556 0.000 2.083 449 L HA -0.065 4.274 4.340 -0.000 0.000 0.209 449 L C 1.345 178.118 176.870 -0.162 0.000 1.083 449 L CA 0.927 55.533 54.840 -0.389 0.000 0.752 449 L CB -0.103 41.743 42.059 -0.355 0.000 0.899 449 L HN 0.208 nan 8.230 nan 0.000 0.433 450 V N -3.922 115.905 119.914 -0.145 0.000 3.193 450 V HA 0.514 4.634 4.120 -0.000 0.000 0.320 450 V C -0.329 175.768 176.094 0.005 0.000 1.112 450 V CA -0.693 61.555 62.300 -0.086 0.000 1.026 450 V CB 2.084 33.756 31.823 -0.252 0.000 1.128 450 V HN -0.019 nan 8.190 nan 0.000 0.452 451 E N 1.612 121.858 120.200 0.077 0.000 2.528 451 E HA 0.434 4.783 4.350 -0.000 0.000 0.277 451 E C -3.012 173.572 176.600 -0.025 0.000 0.980 451 E CA -1.805 54.610 56.400 0.026 0.000 0.796 451 E CB 2.103 31.785 29.700 -0.029 0.000 1.427 451 E HN 0.639 nan 8.360 nan 0.000 0.394 452 P HA 0.015 nan 4.420 nan 0.000 0.263 452 P C -0.386 176.673 177.300 -0.403 0.000 1.195 452 P CA 0.032 62.982 63.100 -0.249 0.000 0.762 452 P CB 0.609 32.204 31.700 -0.175 0.000 0.799 453 V N 5.841 125.422 119.914 -0.555 0.000 2.546 453 V HA 0.200 4.320 4.120 -0.000 0.000 0.260 453 V C -2.316 173.611 176.094 -0.278 0.000 0.933 453 V CA -1.667 60.328 62.300 -0.509 0.000 0.994 453 V CB 1.018 32.119 31.823 -1.203 0.000 1.160 453 V HN 0.437 nan 8.190 nan 0.000 0.523 454 P HA 0.168 nan 4.420 nan 0.000 0.267 454 P C 0.424 177.790 177.300 0.110 0.000 1.200 454 P CA 0.291 63.328 63.100 -0.105 0.000 0.772 454 P CB 0.373 31.995 31.700 -0.130 0.000 0.855 455 K N -0.504 119.937 120.400 0.069 0.000 3.209 455 K HA -0.227 4.093 4.320 -0.000 0.000 0.289 455 K C -0.009 176.670 176.600 0.131 0.000 1.191 455 K CA 0.645 57.011 56.287 0.131 0.000 0.851 455 K CB -2.657 29.965 32.500 0.204 0.000 1.242 455 K HN 0.536 nan 8.250 nan 0.000 0.480 456 F N 1.314 121.123 119.950 -0.235 0.000 2.518 456 F HA 0.287 4.814 4.527 -0.000 0.000 0.359 456 F C 0.536 176.152 175.800 -0.307 0.000 1.118 456 F CA 0.118 57.709 58.000 -0.683 0.000 1.287 456 F CB 0.940 39.466 39.000 -0.790 0.000 1.132 456 F HN 0.020 nan 8.300 nan 0.000 0.587 457 S N 5.130 120.113 115.700 -1.195 0.000 2.614 457 S HA 0.323 4.792 4.470 -0.000 0.000 0.288 457 S C 0.437 174.519 174.600 -0.864 0.000 1.137 457 S CA -0.836 56.954 58.200 -0.683 0.000 0.992 457 S CB 1.389 64.465 63.200 -0.205 0.000 1.026 457 S HN 0.848 nan 8.310 nan 0.000 0.486 458 K N 2.494 122.551 120.400 -0.571 0.000 2.097 458 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 458 K C 1.496 177.997 176.600 -0.165 0.000 1.049 458 K CA 1.424 57.515 56.287 -0.326 0.000 0.933 458 K CB -0.244 32.191 32.500 -0.108 0.000 0.717 458 K HN 0.686 nan 8.250 nan 0.000 0.442 459 F N 1.960 121.640 119.950 -0.450 0.000 2.084 459 F HA -0.121 4.406 4.527 -0.000 0.000 0.296 459 F C 1.830 177.491 175.800 -0.232 0.000 1.111 459 F CA 1.224 58.845 58.000 -0.632 0.000 1.224 459 F CB -0.387 37.848 39.000 -1.276 0.000 0.991 459 F HN -0.140 nan 8.300 nan 0.000 0.471 460 I N -0.280 119.988 120.570 -0.503 0.000 2.286 460 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 460 I C 2.501 178.566 176.117 -0.086 0.000 1.115 460 I CA 1.745 62.799 61.300 -0.410 0.000 1.392 460 I CB -0.725 37.095 38.000 -0.300 0.000 1.065 460 I HN 0.262 nan 8.210 nan 0.000 0.418 461 H N 0.927 119.960 119.070 -0.062 0.000 2.321 461 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 461 H C 2.226 177.578 175.328 0.039 0.000 1.087 461 H CA 1.942 58.069 56.048 0.133 0.000 1.319 461 H CB -0.538 29.344 29.762 0.200 0.000 1.379 461 H HN 0.225 nan 8.280 nan 0.000 0.501 462 G N -0.153 108.624 108.800 -0.038 0.000 2.440 462 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 462 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 462 G C 1.812 176.623 174.900 -0.148 0.000 1.154 462 G CA 1.303 46.365 45.100 -0.062 0.000 0.767 462 G HN 0.389 nan 8.290 nan 0.000 0.552 463 V N 1.428 121.202 119.914 -0.233 0.000 2.307 463 V HA -0.059 4.061 4.120 -0.000 0.000 0.245 463 V C 3.311 179.159 176.094 -0.410 0.000 1.045 463 V CA 1.900 63.988 62.300 -0.353 0.000 1.024 463 V CB -0.858 30.599 31.823 -0.609 0.000 0.651 463 V HN 0.460 nan 8.190 nan 0.000 0.449 464 A N -0.434 122.175 122.820 -0.351 0.000 2.019 464 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 464 A C 2.313 179.758 177.584 -0.231 0.000 1.164 464 A CA 2.455 54.324 52.037 -0.281 0.000 0.644 464 A CB -0.667 18.244 19.000 -0.149 0.000 0.805 464 A HN 0.546 nan 8.150 nan 0.000 0.449 465 T N -0.193 114.211 114.554 -0.250 0.000 2.739 465 T HA 0.032 4.381 4.350 -0.000 0.000 0.246 465 T C 1.649 176.272 174.700 -0.129 0.000 1.058 465 T CA 1.129 63.111 62.100 -0.196 0.000 1.184 465 T CB -0.386 68.326 68.868 -0.261 0.000 0.887 465 T HN 0.180 nan 8.240 nan 0.000 0.408 466 L N 0.721 121.876 121.223 -0.114 0.000 2.187 466 L HA 0.089 4.429 4.340 -0.000 0.000 0.213 466 L C 1.236 178.062 176.870 -0.072 0.000 1.100 466 L CA 1.541 56.340 54.840 -0.069 0.000 0.765 466 L CB -0.809 41.223 42.059 -0.045 0.000 0.904 466 L HN 0.266 nan 8.230 nan 0.000 0.437 467 L N -0.667 120.486 121.223 -0.117 0.000 3.096 467 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 467 L C 1.242 178.018 176.870 -0.156 0.000 1.311 467 L CA -0.242 54.529 54.840 -0.115 0.000 0.943 467 L CB -0.043 41.945 42.059 -0.118 0.000 1.348 467 L HN 0.044 nan 8.230 nan 0.000 0.562 468 N N 1.119 119.745 118.700 -0.122 0.000 2.166 468 N HA -0.188 4.551 4.740 -0.000 0.000 0.186 468 N C 1.190 176.649 175.510 -0.085 0.000 1.019 468 N CA 1.554 54.537 53.050 -0.112 0.000 0.856 468 N CB 0.331 38.771 38.487 -0.078 0.000 0.993 468 N HN 0.329 nan 8.380 nan 0.000 0.426 469 D N 0.228 120.589 120.400 -0.065 0.000 2.149 469 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 469 D C 1.429 177.699 176.300 -0.050 0.000 0.990 469 D CA 1.269 55.241 54.000 -0.046 0.000 0.839 469 D CB -0.083 40.697 40.800 -0.032 0.000 0.948 469 D HN 0.666 nan 8.370 nan 0.000 0.460 470 K N 0.063 120.418 120.400 -0.075 0.000 2.358 470 K HA 0.149 4.469 4.320 -0.000 0.000 0.197 470 K C 0.102 176.669 176.600 -0.055 0.000 1.025 470 K CA -0.122 56.121 56.287 -0.074 0.000 1.104 470 K CB 0.561 32.993 32.500 -0.114 0.000 0.855 470 K HN 0.052 nan 8.250 nan 0.000 0.531 471 V N 0.655 120.522 119.914 -0.078 0.000 2.439 471 V HA 0.284 4.404 4.120 -0.000 0.000 0.282 471 V C -0.275 175.860 176.094 0.068 0.000 1.039 471 V CA -0.752 61.531 62.300 -0.028 0.000 0.913 471 V CB 1.379 33.062 31.823 -0.233 0.000 0.983 471 V HN 0.285 nan 8.190 nan 0.000 0.460 472 D N 1.901 122.422 120.400 0.201 0.000 2.398 472 D HA 0.199 4.839 4.640 -0.000 0.000 0.210 472 D C 0.427 176.822 176.300 0.158 0.000 1.094 472 D CA -0.025 54.052 54.000 0.129 0.000 0.839 472 D CB 0.430 41.275 40.800 0.074 0.000 0.963 472 D HN 0.512 nan 8.370 nan 0.000 0.506 473 S N -0.143 115.713 115.700 0.260 0.000 2.538 473 S HA 0.621 5.091 4.470 -0.000 0.000 0.288 473 S C -0.880 173.781 174.600 0.102 0.000 1.108 473 S CA -0.743 57.571 58.200 0.190 0.000 0.971 473 S CB 1.798 65.174 63.200 0.293 0.000 1.041 473 S HN 0.206 nan 8.310 nan 0.000 0.483 474 I N 2.563 123.131 120.570 -0.004 0.000 2.769 474 I HA 0.479 4.648 4.170 -0.000 0.000 0.298 474 I C -2.405 173.571 176.117 -0.235 0.000 1.128 474 I CA -2.513 58.726 61.300 -0.101 0.000 1.031 474 I CB 2.472 40.416 38.000 -0.094 0.000 1.235 474 I HN 0.449 nan 8.210 nan 0.000 0.423 475 P HA 0.140 nan 4.420 nan 0.000 0.274 475 P C 0.264 177.177 177.300 -0.645 0.000 1.260 475 P CA -0.144 62.429 63.100 -0.878 0.000 0.793 475 P CB 0.281 30.781 31.700 -2.001 0.000 1.048 476 F N -1.535 118.184 119.950 -0.385 0.000 2.325 476 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 476 F C 0.960 176.787 175.800 0.045 0.000 1.090 476 F CA -0.523 57.425 58.000 -0.087 0.000 1.392 476 F CB -1.493 37.530 39.000 0.040 0.000 1.053 476 F HN 0.302 nan 8.300 nan 0.000 0.521 477 W N 3.866 125.077 121.300 -0.148 0.000 1.694 477 W HA 0.640 5.300 4.660 -0.000 0.000 0.425 477 W C -0.593 176.088 176.519 0.269 0.000 0.615 477 W CA -1.398 56.026 57.345 0.133 0.000 2.237 477 W CB -0.686 28.841 29.460 0.111 0.000 1.478 477 W HN 0.221 nan 8.180 nan 0.000 0.427 478 L N 0.000 121.348 121.223 0.209 0.000 2.949 478 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 478 L CA 0.000 54.953 54.840 0.189 0.000 0.813 478 L CB 0.000 42.157 42.059 0.163 0.000 0.961 478 L HN 0.000 nan 8.230 nan 0.000 0.502