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 3kfc_1_B DATA FIRST_RESID 219 DATA SEQUENCE QLTAAQELMI QQLVAAQLQC NKRSFSDQPK VTPWPXXXXX XXXDARQQRF DATA SEQUENCE AHFTELAIIS VQEIVDFAKQ VPGFLQLGRE DQIALLKAST IEIMLLETAR DATA SEQUENCE RYNHETECIT FLKDFTYSKD DFHRAGLQVE FINPIFEFSR AMRRLGLDDA DATA SEQUENCE EYALLIAINI FSADRPNVQE PGRVEALQQP YVEALLSYTR IKRPQDQLRF DATA SEQUENCE PRMLMKLVSL RTLSSVHSEQ VFALRLQDKK LPPLLSEIWD 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 219 Q HA 0.000 nan 4.340 nan 0.000 0.214 219 Q C 0.000 175.996 176.000 -0.007 0.000 1.003 219 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 219 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 220 L N 1.604 122.831 121.223 0.006 0.000 2.426 220 L HA 0.339 4.678 4.340 -0.001 0.000 0.271 220 L C 1.205 178.083 176.870 0.013 0.000 1.169 220 L CA -0.143 54.710 54.840 0.022 0.000 0.836 220 L CB 0.554 42.648 42.059 0.059 0.000 1.112 220 L HN 0.784 nan 8.230 nan 0.000 0.465 221 T N -0.664 113.894 114.554 0.006 0.000 2.788 221 T HA 0.286 4.635 4.350 -0.001 0.000 0.287 221 T C 1.201 175.905 174.700 0.006 0.000 1.007 221 T CA -0.174 61.926 62.100 0.001 0.000 1.005 221 T CB 1.310 70.173 68.868 -0.009 0.000 1.012 221 T HN 0.646 nan 8.240 nan 0.000 0.530 222 A N 0.886 123.708 122.820 0.003 0.000 1.940 222 A HA 0.145 4.464 4.320 -0.001 0.000 0.219 222 A C 2.645 180.231 177.584 0.003 0.000 1.176 222 A CA 1.895 53.935 52.037 0.005 0.000 0.631 222 A CB -1.566 17.435 19.000 0.003 0.000 0.814 222 A HN 1.225 nan 8.150 nan 0.000 0.446 223 A N -0.736 122.080 122.820 -0.007 0.000 1.898 223 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 223 A C 2.137 179.709 177.584 -0.020 0.000 1.181 223 A CA 1.598 53.626 52.037 -0.016 0.000 0.620 223 A CB -0.550 18.433 19.000 -0.029 0.000 0.819 223 A HN 0.657 nan 8.150 nan 0.000 0.442 224 Q N -0.476 119.314 119.800 -0.016 0.000 2.050 224 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 224 Q C 2.021 178.034 176.000 0.022 0.000 0.980 224 Q CA 1.475 57.273 55.803 -0.009 0.000 0.840 224 Q CB -0.250 28.490 28.738 0.004 0.000 0.898 224 Q HN 0.696 nan 8.270 nan 0.000 0.424 225 E N 0.654 120.875 120.200 0.035 0.000 2.085 225 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 225 E C 2.107 178.732 176.600 0.042 0.000 0.994 225 E CA 0.866 57.296 56.400 0.050 0.000 0.801 225 E CB -0.177 29.552 29.700 0.049 0.000 0.743 225 E HN 0.191 nan 8.360 nan 0.000 0.453 226 L N 1.014 122.253 121.223 0.028 0.000 2.012 226 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 226 L C 2.431 179.323 176.870 0.036 0.000 1.073 226 L CA 1.717 56.573 54.840 0.026 0.000 0.748 226 L CB -0.424 41.644 42.059 0.015 0.000 0.891 226 L HN 0.135 nan 8.230 nan 0.000 0.431 227 M N -1.179 118.439 119.600 0.031 0.000 2.080 227 M HA -0.249 4.230 4.480 -0.001 0.000 0.260 227 M C 2.201 178.564 176.300 0.105 0.000 1.068 227 M CA 2.112 57.447 55.300 0.058 0.000 1.109 227 M CB -0.167 32.425 32.600 -0.013 0.000 1.342 227 M HN 0.353 nan 8.290 nan 0.000 0.405 228 I N -0.138 120.479 120.570 0.080 0.000 2.233 228 I HA -0.304 3.865 4.170 -0.001 0.000 0.243 228 I C 2.362 178.519 176.117 0.068 0.000 1.093 228 I CA 1.324 62.668 61.300 0.073 0.000 1.380 228 I CB -0.513 37.506 38.000 0.032 0.000 1.067 228 I HN 0.374 nan 8.210 nan 0.000 0.413 229 Q N 0.102 119.938 119.800 0.060 0.000 2.181 229 Q HA -0.305 4.034 4.340 -0.001 0.000 0.205 229 Q C 2.155 178.191 176.000 0.059 0.000 0.980 229 Q CA 1.628 57.465 55.803 0.056 0.000 0.862 229 Q CB -0.131 28.636 28.738 0.048 0.000 0.905 229 Q HN 0.388 nan 8.270 nan 0.000 0.429 230 Q N 0.542 120.379 119.800 0.061 0.000 2.079 230 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 230 Q C 1.746 177.783 176.000 0.062 0.000 0.974 230 Q CA 1.299 57.132 55.803 0.051 0.000 0.840 230 Q CB -0.024 28.741 28.738 0.046 0.000 0.898 230 Q HN 0.382 nan 8.270 nan 0.000 0.430 231 L N -0.990 120.294 121.223 0.102 0.000 2.027 231 L HA -0.131 4.208 4.340 -0.001 0.000 0.206 231 L C 2.297 179.314 176.870 0.245 0.000 1.074 231 L CA 0.869 55.820 54.840 0.185 0.000 0.745 231 L CB -0.671 41.523 42.059 0.225 0.000 0.898 231 L HN 0.105 nan 8.230 nan 0.000 0.433 232 V N 0.477 120.477 119.914 0.143 0.000 2.255 232 V HA -0.341 3.778 4.120 -0.001 0.000 0.247 232 V C 2.786 178.937 176.094 0.095 0.000 1.051 232 V CA 2.080 64.442 62.300 0.102 0.000 1.018 232 V CB -0.946 30.914 31.823 0.062 0.000 0.641 232 V HN 0.501 nan 8.190 nan 0.000 0.445 233 A N -0.352 122.518 122.820 0.083 0.000 1.930 233 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 233 A C 2.378 180.010 177.584 0.080 0.000 1.175 233 A CA 1.930 54.006 52.037 0.065 0.000 0.627 233 A CB -0.703 18.326 19.000 0.047 0.000 0.815 233 A HN 0.583 nan 8.150 nan 0.000 0.443 234 A N -0.916 121.971 122.820 0.113 0.000 1.969 234 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 234 A C 2.145 179.876 177.584 0.245 0.000 1.169 234 A CA 1.677 53.798 52.037 0.141 0.000 0.635 234 A CB -0.504 18.534 19.000 0.063 0.000 0.810 234 A HN 0.646 nan 8.150 nan 0.000 0.445 235 Q N -0.825 119.142 119.800 0.278 0.000 2.050 235 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 235 Q C 2.002 178.021 176.000 0.032 0.000 0.980 235 Q CA 1.821 57.687 55.803 0.106 0.000 0.840 235 Q CB -0.263 28.479 28.738 0.006 0.000 0.898 235 Q HN 0.587 nan 8.270 nan 0.000 0.424 236 L N 0.724 121.970 121.223 0.038 0.000 2.083 236 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 236 L C 2.062 178.942 176.870 0.016 0.000 1.083 236 L CA 1.681 56.528 54.840 0.013 0.000 0.752 236 L CB -0.392 41.676 42.059 0.014 0.000 0.899 236 L HN 0.258 nan 8.230 nan 0.000 0.433 237 Q N -1.070 118.751 119.800 0.036 0.000 2.123 237 Q HA -0.132 4.208 4.340 -0.001 0.000 0.199 237 Q C 2.450 178.468 176.000 0.029 0.000 0.966 237 Q CA 1.743 57.564 55.803 0.030 0.000 0.845 237 Q CB -1.238 27.520 28.738 0.034 0.000 0.907 237 Q HN 0.578 nan 8.270 nan 0.000 0.439 238 C N 1.345 120.669 119.300 0.041 0.000 2.432 238 C HA -0.055 4.405 4.460 -0.001 0.000 0.280 238 C C 2.462 177.451 174.990 -0.001 0.000 1.353 238 C CA 0.664 59.697 59.018 0.026 0.000 1.766 238 C CB -1.313 26.455 27.740 0.046 0.000 1.924 238 C HN 0.556 nan 8.230 nan 0.000 0.509 239 N N 0.901 119.596 118.700 -0.008 0.000 2.216 239 N HA -0.078 4.662 4.740 -0.001 0.000 0.183 239 N C 1.692 177.205 175.510 0.005 0.000 1.017 239 N CA 1.053 54.093 53.050 -0.017 0.000 0.861 239 N CB -0.098 38.371 38.487 -0.030 0.000 0.986 239 N HN 0.458 nan 8.380 nan 0.000 0.428 240 K N -0.063 120.344 120.400 0.013 0.000 2.360 240 K HA 0.003 4.322 4.320 -0.001 0.000 0.201 240 K C 0.781 177.426 176.600 0.075 0.000 1.046 240 K CA 0.681 56.989 56.287 0.035 0.000 0.945 240 K CB 0.056 32.569 32.500 0.021 0.000 0.750 240 K HN 0.207 nan 8.250 nan 0.000 0.464 241 R N 0.257 120.782 120.500 0.041 0.000 2.547 241 R HA 0.132 4.471 4.340 -0.001 0.000 0.258 241 R C 0.950 177.254 176.300 0.007 0.000 1.115 241 R CA -0.055 56.061 56.100 0.028 0.000 1.152 241 R CB 0.350 30.655 30.300 0.008 0.000 1.221 241 R HN 0.016 nan 8.270 nan 0.000 0.539 242 S N 0.013 115.729 115.700 0.027 0.000 2.502 242 S HA -0.001 4.468 4.470 -0.001 0.000 0.228 242 S C 1.117 175.727 174.600 0.017 0.000 1.061 242 S CA -0.100 58.099 58.200 -0.002 0.000 0.935 242 S CB 0.002 63.199 63.200 -0.004 0.000 0.809 242 S HN 0.352 nan 8.310 nan 0.000 0.510 243 F N 2.601 122.505 119.950 -0.077 0.000 2.216 243 F HA -0.038 4.488 4.527 -0.001 0.000 0.300 243 F C 2.451 178.215 175.800 -0.061 0.000 1.085 243 F CA 1.256 59.211 58.000 -0.075 0.000 1.326 243 F CB -0.516 38.451 39.000 -0.055 0.000 1.027 243 F HN 0.196 nan 8.300 nan 0.000 0.497 244 S N -0.467 115.162 115.700 -0.118 0.000 2.383 244 S HA -0.175 4.295 4.470 -0.001 0.000 0.227 244 S C 1.815 176.299 174.600 -0.193 0.000 1.026 244 S CA 1.768 59.856 58.200 -0.185 0.000 0.981 244 S CB -0.446 62.719 63.200 -0.058 0.000 0.818 244 S HN 0.500 nan 8.310 nan 0.000 0.472 245 D N 0.216 120.528 120.400 -0.146 0.000 2.277 245 D HA -0.008 4.631 4.640 -0.001 0.000 0.209 245 D C 1.985 178.207 176.300 -0.131 0.000 0.970 245 D CA 0.281 54.207 54.000 -0.123 0.000 0.874 245 D CB -0.322 40.419 40.800 -0.099 0.000 0.982 245 D HN 0.515 nan 8.370 nan 0.000 0.504 246 Q N 0.654 120.349 119.800 -0.175 0.000 2.096 246 Q HA -0.163 4.177 4.340 -0.001 0.000 0.208 246 Q C -0.840 175.113 176.000 -0.079 0.000 0.993 246 Q CA 1.666 57.355 55.803 -0.189 0.000 0.862 246 Q CB -0.555 27.998 28.738 -0.309 0.000 0.915 246 Q HN 0.224 nan 8.270 nan 0.000 0.416 247 P HA -0.071 nan 4.420 nan 0.000 0.226 247 P C -0.681 176.620 177.300 0.002 0.000 1.153 247 P CA 1.311 64.387 63.100 -0.040 0.000 0.777 247 P CB 0.066 31.698 31.700 -0.112 0.000 0.794 248 K N 0.167 120.553 120.400 -0.022 0.000 2.459 248 K HA 0.438 4.757 4.320 -0.001 0.000 0.218 248 K C -1.092 175.515 176.600 0.011 0.000 1.067 248 K CA -0.285 55.999 56.287 -0.005 0.000 1.045 248 K CB 1.054 33.535 32.500 -0.033 0.000 1.623 248 K HN -0.170 nan 8.250 nan 0.000 0.509 249 V N 0.819 120.773 119.914 0.067 0.000 2.932 249 V HA 0.145 4.265 4.120 -0.001 0.000 0.307 249 V C -0.065 176.118 176.094 0.148 0.000 1.147 249 V CA -0.993 61.351 62.300 0.073 0.000 0.951 249 V CB 2.430 34.300 31.823 0.078 0.000 1.031 249 V HN 0.541 nan 8.190 nan 0.000 0.426 250 T N 6.561 121.198 114.554 0.139 0.000 2.800 250 T HA 0.066 4.415 4.350 -0.001 0.000 0.283 250 T C -2.389 172.528 174.700 0.361 0.000 0.999 250 T CA 0.101 62.323 62.100 0.203 0.000 1.176 250 T CB 0.208 69.183 68.868 0.180 0.000 0.973 250 T HN 0.407 nan 8.240 nan 0.000 0.519 251 P HA -0.026 nan 4.420 nan 0.000 0.265 251 P C -0.356 177.059 177.300 0.192 0.000 1.187 251 P CA -0.338 62.889 63.100 0.211 0.000 0.766 251 P CB 0.426 32.195 31.700 0.116 0.000 0.820 252 W N 6.251 127.494 121.300 -0.095 0.000 2.388 252 W HA 0.221 4.880 4.660 -0.001 0.000 0.308 252 W C -2.227 174.225 176.519 -0.111 0.000 1.263 252 W CA -1.387 55.828 57.345 -0.216 0.000 1.286 252 W CB 0.201 29.423 29.460 -0.397 0.000 1.294 252 W HN 0.397 nan 8.180 nan 0.000 0.493 263 A N 1.387 124.148 122.820 -0.098 0.000 2.015 263 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 263 A C 2.118 179.585 177.584 -0.194 0.000 1.163 263 A CA 1.096 53.044 52.037 -0.149 0.000 0.646 263 A CB -0.392 18.512 19.000 -0.160 0.000 0.806 263 A HN 0.131 nan 8.150 nan 0.000 0.448 264 R N -1.068 119.338 120.500 -0.157 0.000 2.075 264 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 264 R C 2.261 178.497 176.300 -0.107 0.000 1.126 264 R CA 1.335 57.337 56.100 -0.163 0.000 0.963 264 R CB -0.176 30.040 30.300 -0.140 0.000 0.858 264 R HN 0.448 nan 8.270 nan 0.000 0.435 265 Q N 0.581 120.343 119.800 -0.063 0.000 2.167 265 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 265 Q C 1.881 177.915 176.000 0.057 0.000 0.970 265 Q CA 1.468 57.283 55.803 0.020 0.000 0.855 265 Q CB 0.005 28.749 28.738 0.011 0.000 0.911 265 Q HN 0.445 nan 8.270 nan 0.000 0.438 266 Q N -0.515 119.271 119.800 -0.023 0.000 2.167 266 Q HA -0.089 4.251 4.340 -0.001 0.000 0.202 266 Q C 2.043 178.022 176.000 -0.036 0.000 0.970 266 Q CA 0.853 56.643 55.803 -0.021 0.000 0.855 266 Q CB 0.083 28.780 28.738 -0.068 0.000 0.911 266 Q HN 0.257 nan 8.270 nan 0.000 0.438 267 R N -0.673 119.715 120.500 -0.187 0.000 2.093 267 R HA -0.080 4.259 4.340 -0.001 0.000 0.224 267 R C 2.016 178.337 176.300 0.034 0.000 1.101 267 R CA 0.893 56.794 56.100 -0.333 0.000 0.979 267 R CB -0.218 29.630 30.300 -0.755 0.000 0.877 267 R HN 0.180 nan 8.270 nan 0.000 0.441 268 F N 1.717 121.620 119.950 -0.077 0.000 2.095 268 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 268 F C 2.269 178.146 175.800 0.129 0.000 1.104 268 F CA 1.409 59.426 58.000 0.028 0.000 1.232 268 F CB -0.552 38.445 39.000 -0.005 0.000 0.987 268 F HN -0.012 nan 8.300 nan 0.000 0.475 269 A N -0.604 122.281 122.820 0.108 0.000 1.865 269 A HA -0.317 4.003 4.320 -0.001 0.000 0.217 269 A C 2.096 179.716 177.584 0.060 0.000 1.191 269 A CA 2.104 54.156 52.037 0.024 0.000 0.623 269 A CB -1.607 17.440 19.000 0.078 0.000 0.826 269 A HN 0.658 nan 8.150 nan 0.000 0.444 270 H N -1.901 117.228 119.070 0.099 0.000 2.292 270 H HA -0.234 4.322 4.556 -0.001 0.000 0.292 270 H C 1.712 177.168 175.328 0.213 0.000 1.100 270 H CA 2.713 58.891 56.048 0.217 0.000 1.238 270 H CB -0.340 29.669 29.762 0.412 0.000 1.355 270 H HN 0.421 nan 8.280 nan 0.000 0.484 271 F N 0.391 120.395 119.950 0.090 0.000 2.186 271 F HA -0.165 4.362 4.527 -0.001 0.000 0.299 271 F C 2.928 178.590 175.800 -0.231 0.000 1.090 271 F CA 1.738 59.673 58.000 -0.108 0.000 1.307 271 F CB -0.981 37.975 39.000 -0.074 0.000 1.019 271 F HN 0.439 nan 8.300 nan 0.000 0.489 272 T N -2.844 111.623 114.554 -0.145 0.000 2.867 272 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 272 T C 1.713 176.307 174.700 -0.176 0.000 1.057 272 T CA 1.469 63.440 62.100 -0.215 0.000 1.136 272 T CB -0.456 68.202 68.868 -0.350 0.000 0.874 272 T HN 0.341 nan 8.240 nan 0.000 0.466 273 E N 1.074 121.175 120.200 -0.165 0.000 2.107 273 E HA 0.060 4.409 4.350 -0.001 0.000 0.191 273 E C 2.231 178.699 176.600 -0.220 0.000 0.982 273 E CA 0.885 57.185 56.400 -0.167 0.000 0.809 273 E CB -0.335 29.282 29.700 -0.138 0.000 0.756 273 E HN 0.471 nan 8.360 nan 0.000 0.459 274 L N 0.777 121.816 121.223 -0.306 0.000 2.012 274 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 274 L C 2.673 179.317 176.870 -0.376 0.000 1.073 274 L CA 1.153 55.744 54.840 -0.414 0.000 0.748 274 L CB -0.684 40.954 42.059 -0.701 0.000 0.891 274 L HN 0.160 nan 8.230 nan 0.000 0.431 275 A N 0.463 123.087 122.820 -0.326 0.000 1.892 275 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 275 A C 2.214 179.687 177.584 -0.185 0.000 1.188 275 A CA 1.951 53.873 52.037 -0.192 0.000 0.631 275 A CB -0.796 18.191 19.000 -0.023 0.000 0.822 275 A HN 0.378 nan 8.150 nan 0.000 0.447 276 I N -0.428 120.027 120.570 -0.192 0.000 2.226 276 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 276 I C 2.256 178.279 176.117 -0.157 0.000 1.100 276 I CA 1.199 62.391 61.300 -0.181 0.000 1.374 276 I CB -0.312 37.593 38.000 -0.160 0.000 1.057 276 I HN 0.318 nan 8.210 nan 0.000 0.413 277 I N -0.136 120.338 120.570 -0.160 0.000 2.163 277 I HA -0.359 3.810 4.170 -0.001 0.000 0.243 277 I C 2.769 178.807 176.117 -0.133 0.000 1.085 277 I CA 1.640 62.857 61.300 -0.139 0.000 1.347 277 I CB -0.467 37.446 38.000 -0.145 0.000 1.044 277 I HN 0.220 nan 8.210 nan 0.000 0.408 278 S N 0.461 116.066 115.700 -0.158 0.000 2.356 278 S HA -0.148 4.321 4.470 -0.001 0.000 0.223 278 S C 2.151 176.684 174.600 -0.112 0.000 1.032 278 S CA 1.520 59.640 58.200 -0.133 0.000 1.005 278 S CB -0.330 62.783 63.200 -0.146 0.000 0.867 278 S HN 0.230 nan 8.310 nan 0.000 0.449 279 V N 2.197 122.033 119.914 -0.129 0.000 2.252 279 V HA -0.262 3.857 4.120 -0.001 0.000 0.249 279 V C 2.734 178.765 176.094 -0.105 0.000 1.056 279 V CA 2.506 64.727 62.300 -0.132 0.000 1.022 279 V CB -1.020 30.686 31.823 -0.194 0.000 0.641 279 V HN 0.639 nan 8.190 nan 0.000 0.445 280 Q N -0.202 119.537 119.800 -0.100 0.000 2.061 280 Q HA -0.284 4.055 4.340 -0.001 0.000 0.204 280 Q C 2.275 178.241 176.000 -0.057 0.000 0.984 280 Q CA 2.269 58.027 55.803 -0.075 0.000 0.846 280 Q CB -0.148 28.547 28.738 -0.072 0.000 0.902 280 Q HN 0.746 nan 8.270 nan 0.000 0.421 281 E N 0.222 120.386 120.200 -0.060 0.000 2.058 281 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 281 E C 2.080 178.667 176.600 -0.021 0.000 0.997 281 E CA 1.558 57.932 56.400 -0.042 0.000 0.801 281 E CB -0.160 29.502 29.700 -0.063 0.000 0.746 281 E HN 0.454 nan 8.360 nan 0.000 0.450 282 I N 0.439 120.980 120.570 -0.049 0.000 2.142 282 I HA -0.272 3.897 4.170 -0.001 0.000 0.240 282 I C 2.408 178.504 176.117 -0.034 0.000 1.078 282 I CA 0.789 62.065 61.300 -0.039 0.000 1.343 282 I CB -0.315 37.644 38.000 -0.067 0.000 1.046 282 I HN 0.006 nan 8.210 nan 0.000 0.405 283 V N 0.932 120.807 119.914 -0.065 0.000 2.252 283 V HA -0.348 3.771 4.120 -0.001 0.000 0.249 283 V C 2.117 178.156 176.094 -0.091 0.000 1.056 283 V CA 2.202 64.451 62.300 -0.086 0.000 1.022 283 V CB -0.652 31.139 31.823 -0.054 0.000 0.641 283 V HN 0.438 nan 8.190 nan 0.000 0.445 284 D N -1.032 119.344 120.400 -0.041 0.000 2.178 284 D HA -0.160 4.479 4.640 -0.001 0.000 0.202 284 D C 1.893 178.177 176.300 -0.026 0.000 0.974 284 D CA 1.248 55.231 54.000 -0.028 0.000 0.841 284 D CB -0.182 40.614 40.800 -0.006 0.000 0.953 284 D HN 0.495 nan 8.370 nan 0.000 0.478 285 F N 1.978 121.839 119.950 -0.148 0.000 2.084 285 F HA -0.134 4.392 4.527 -0.001 0.000 0.296 285 F C 2.295 177.944 175.800 -0.251 0.000 1.111 285 F CA 1.595 59.499 58.000 -0.161 0.000 1.224 285 F CB -0.314 38.597 39.000 -0.148 0.000 0.991 285 F HN -0.075 nan 8.300 nan 0.000 0.471 286 A N 0.691 123.285 122.820 -0.376 0.000 1.892 286 A HA -0.291 4.028 4.320 -0.001 0.000 0.218 286 A C 2.220 179.301 177.584 -0.839 0.000 1.188 286 A CA 2.238 53.755 52.037 -0.867 0.000 0.631 286 A CB -0.906 17.342 19.000 -1.253 0.000 0.822 286 A HN 0.518 nan 8.150 nan 0.000 0.447 287 K N -0.650 119.478 120.400 -0.453 0.000 2.211 287 K HA -0.169 4.151 4.320 -0.001 0.000 0.204 287 K C 1.972 178.518 176.600 -0.090 0.000 1.047 287 K CA 1.417 57.645 56.287 -0.098 0.000 0.935 287 K CB -0.106 32.378 32.500 -0.025 0.000 0.728 287 K HN 0.589 nan 8.250 nan 0.000 0.452 288 Q N 0.215 119.873 119.800 -0.237 0.000 2.376 288 Q HA 0.039 4.378 4.340 -0.001 0.000 0.206 288 Q C 0.401 176.262 176.000 -0.231 0.000 0.921 288 Q CA 0.321 55.997 55.803 -0.211 0.000 0.911 288 Q CB 0.318 28.901 28.738 -0.259 0.000 1.032 288 Q HN 0.062 nan 8.270 nan 0.000 0.510 289 V N 4.800 124.498 119.914 -0.359 0.000 2.450 289 V HA 0.050 4.169 4.120 -0.001 0.000 0.281 289 V C -2.136 174.026 176.094 0.114 0.000 1.019 289 V CA -0.965 61.209 62.300 -0.210 0.000 1.062 289 V CB -0.018 31.597 31.823 -0.347 0.000 0.979 289 V HN 0.055 nan 8.190 nan 0.000 0.477 290 P HA 0.264 nan 4.420 nan 0.000 0.263 290 P C 0.991 178.486 177.300 0.326 0.000 1.195 290 P CA 1.317 64.551 63.100 0.223 0.000 0.762 290 P CB 0.684 32.488 31.700 0.174 0.000 0.799 291 G N 2.619 111.565 108.800 0.242 0.000 2.339 291 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.209 291 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.209 291 G C 0.869 175.968 174.900 0.331 0.000 1.015 291 G CA 0.044 45.253 45.100 0.181 0.000 0.635 291 G HN 0.469 nan 8.290 nan 0.000 0.499 292 F N 1.756 121.935 119.950 0.382 0.000 2.171 292 F HA 0.256 4.782 4.527 -0.001 0.000 0.300 292 F C 2.264 178.158 175.800 0.157 0.000 1.090 292 F CA 2.132 60.326 58.000 0.323 0.000 1.293 292 F CB -0.068 39.003 39.000 0.118 0.000 1.013 292 F HN 0.185 nan 8.300 nan 0.000 0.486 293 L N -0.430 120.889 121.223 0.160 0.000 2.591 293 L HA 0.014 4.353 4.340 -0.001 0.000 0.228 293 L C 1.868 178.731 176.870 -0.012 0.000 1.133 293 L CA 0.239 55.098 54.840 0.031 0.000 0.880 293 L CB -0.531 41.589 42.059 0.103 0.000 1.033 293 L HN 0.154 nan 8.230 nan 0.000 0.450 294 Q N 0.080 119.884 119.800 0.006 0.000 2.311 294 Q HA 0.060 4.399 4.340 -0.001 0.000 0.203 294 Q C 0.517 176.491 176.000 -0.044 0.000 0.954 294 Q CA 0.505 56.300 55.803 -0.014 0.000 0.885 294 Q CB 0.239 28.973 28.738 -0.006 0.000 0.963 294 Q HN 0.459 nan 8.270 nan 0.000 0.471 295 L N 0.471 121.646 121.223 -0.081 0.000 2.436 295 L HA 0.227 4.566 4.340 -0.001 0.000 0.265 295 L C 0.899 177.696 176.870 -0.122 0.000 1.168 295 L CA -0.690 54.089 54.840 -0.101 0.000 0.815 295 L CB 0.470 42.451 42.059 -0.130 0.000 1.109 295 L HN 0.087 nan 8.230 nan 0.000 0.462 296 G N 0.567 109.316 108.800 -0.085 0.000 2.614 296 G HA2 0.009 3.968 3.960 -0.001 0.000 0.239 296 G HA3 0.009 3.968 3.960 -0.001 0.000 0.239 296 G C 0.775 175.615 174.900 -0.100 0.000 1.240 296 G CA -0.239 44.817 45.100 -0.074 0.000 0.842 296 G HN 0.838 nan 8.290 nan 0.000 0.584 297 R N 0.012 120.468 120.500 -0.073 0.000 2.091 297 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 297 R C 2.236 178.503 176.300 -0.054 0.000 1.136 297 R CA 2.249 58.310 56.100 -0.066 0.000 0.959 297 R CB -0.244 30.036 30.300 -0.034 0.000 0.856 297 R HN 0.766 nan 8.270 nan 0.000 0.437 298 E N -0.041 120.137 120.200 -0.038 0.000 2.077 298 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 298 E C 1.514 178.100 176.600 -0.022 0.000 0.989 298 E CA 1.358 57.746 56.400 -0.021 0.000 0.800 298 E CB -0.088 29.605 29.700 -0.012 0.000 0.746 298 E HN 0.438 nan 8.360 nan 0.000 0.452 299 D N 0.646 121.022 120.400 -0.040 0.000 2.178 299 D HA -0.119 4.520 4.640 -0.001 0.000 0.202 299 D C 1.909 178.166 176.300 -0.072 0.000 0.974 299 D CA 0.844 54.822 54.000 -0.037 0.000 0.841 299 D CB -0.093 40.686 40.800 -0.035 0.000 0.953 299 D HN 0.206 nan 8.370 nan 0.000 0.478 300 Q N -0.130 119.569 119.800 -0.169 0.000 2.084 300 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 300 Q C 2.335 178.364 176.000 0.048 0.000 0.978 300 Q CA 0.782 56.429 55.803 -0.260 0.000 0.844 300 Q CB 0.064 28.563 28.738 -0.398 0.000 0.898 300 Q HN 0.358 nan 8.270 nan 0.000 0.426 301 I N 0.369 120.955 120.570 0.026 0.000 2.286 301 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 301 I C 2.391 178.541 176.117 0.054 0.000 1.104 301 I CA 0.812 62.142 61.300 0.051 0.000 1.397 301 I CB -0.346 37.668 38.000 0.024 0.000 1.072 301 I HN 0.145 nan 8.210 nan 0.000 0.417 302 A N 1.017 123.861 122.820 0.041 0.000 1.898 302 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 302 A C 2.293 179.915 177.584 0.063 0.000 1.181 302 A CA 1.298 53.362 52.037 0.046 0.000 0.620 302 A CB -0.768 18.253 19.000 0.035 0.000 0.819 302 A HN 0.362 nan 8.150 nan 0.000 0.442 303 L N -0.888 120.381 121.223 0.078 0.000 2.093 303 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 303 L C 2.507 179.432 176.870 0.092 0.000 1.085 303 L CA 0.867 55.763 54.840 0.093 0.000 0.755 303 L CB -0.444 41.690 42.059 0.126 0.000 0.904 303 L HN 0.360 nan 8.230 nan 0.000 0.435 304 L N -0.184 121.112 121.223 0.121 0.000 2.156 304 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 304 L C 2.662 179.565 176.870 0.055 0.000 1.095 304 L CA 0.950 55.837 54.840 0.078 0.000 0.770 304 L CB -0.271 41.846 42.059 0.096 0.000 0.914 304 L HN 0.242 nan 8.230 nan 0.000 0.439 305 K N 0.411 120.850 120.400 0.064 0.000 2.057 305 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 305 K C 2.062 178.733 176.600 0.118 0.000 1.049 305 K CA 1.446 57.778 56.287 0.075 0.000 0.931 305 K CB -0.049 32.492 32.500 0.068 0.000 0.714 305 K HN 0.245 nan 8.250 nan 0.000 0.440 306 A N 0.599 123.474 122.820 0.092 0.000 1.897 306 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 306 A C 2.067 179.694 177.584 0.073 0.000 1.181 306 A CA 1.781 53.870 52.037 0.086 0.000 0.620 306 A CB -0.602 18.436 19.000 0.062 0.000 0.821 306 A HN 0.523 nan 8.150 nan 0.000 0.443 307 S N -1.467 114.264 115.700 0.052 0.000 2.527 307 S HA -0.046 4.423 4.470 -0.001 0.000 0.222 307 S C 1.641 176.258 174.600 0.028 0.000 0.985 307 S CA 1.269 59.483 58.200 0.024 0.000 0.921 307 S CB -0.719 62.478 63.200 -0.005 0.000 0.772 307 S HN 0.416 nan 8.310 nan 0.000 0.529 308 T N 2.919 117.512 114.554 0.064 0.000 2.652 308 T HA -0.062 4.287 4.350 -0.001 0.000 0.267 308 T C 1.574 176.339 174.700 0.108 0.000 1.039 308 T CA 1.684 63.830 62.100 0.077 0.000 1.153 308 T CB -0.513 68.404 68.868 0.082 0.000 0.863 308 T HN 0.426 nan 8.240 nan 0.000 0.428 309 I N 1.371 122.028 120.570 0.146 0.000 2.286 309 I HA -0.111 4.058 4.170 -0.001 0.000 0.248 309 I C 2.228 178.310 176.117 -0.058 0.000 1.115 309 I CA 1.487 62.783 61.300 -0.008 0.000 1.392 309 I CB -0.398 37.443 38.000 -0.266 0.000 1.065 309 I HN 0.300 nan 8.210 nan 0.000 0.418 310 E N 0.304 120.478 120.200 -0.043 0.000 2.077 310 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 310 E C 2.317 178.893 176.600 -0.039 0.000 0.989 310 E CA 1.795 58.154 56.400 -0.068 0.000 0.800 310 E CB -0.296 29.376 29.700 -0.047 0.000 0.746 310 E HN 0.536 nan 8.360 nan 0.000 0.452 311 I N 0.824 121.381 120.570 -0.020 0.000 2.252 311 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 311 I C 2.620 178.727 176.117 -0.017 0.000 1.102 311 I CA 0.983 62.268 61.300 -0.025 0.000 1.385 311 I CB -0.231 37.734 38.000 -0.059 0.000 1.064 311 I HN 0.103 nan 8.210 nan 0.000 0.414 312 M N 0.243 119.838 119.600 -0.008 0.000 2.082 312 M HA -0.262 4.218 4.480 -0.001 0.000 0.258 312 M C 2.349 178.668 176.300 0.032 0.000 1.069 312 M CA 2.025 57.329 55.300 0.006 0.000 1.102 312 M CB -0.397 32.221 32.600 0.030 0.000 1.336 312 M HN 0.262 nan 8.290 nan 0.000 0.404 313 L N -0.749 120.482 121.223 0.013 0.000 2.141 313 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 313 L C 2.382 179.347 176.870 0.160 0.000 1.094 313 L CA 0.417 55.272 54.840 0.025 0.000 0.763 313 L CB -0.552 41.421 42.059 -0.142 0.000 0.908 313 L HN 0.292 nan 8.230 nan 0.000 0.437 314 L N -0.130 121.193 121.223 0.167 0.000 2.056 314 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 314 L C 2.607 179.561 176.870 0.140 0.000 1.078 314 L CA 1.756 56.766 54.840 0.284 0.000 0.749 314 L CB -0.767 41.427 42.059 0.225 0.000 0.901 314 L HN 0.196 nan 8.230 nan 0.000 0.433 315 E N -1.119 119.105 120.200 0.039 0.000 2.152 315 E HA -0.101 4.248 4.350 -0.001 0.000 0.192 315 E C 2.073 178.692 176.600 0.031 0.000 0.983 315 E CA 1.311 57.688 56.400 -0.038 0.000 0.818 315 E CB -0.314 29.354 29.700 -0.054 0.000 0.758 315 E HN 0.446 nan 8.360 nan 0.000 0.467 316 T N 1.351 115.973 114.554 0.113 0.000 2.720 316 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 316 T C 1.935 176.657 174.700 0.036 0.000 1.037 316 T CA 1.598 63.790 62.100 0.154 0.000 1.144 316 T CB -0.216 68.768 68.868 0.194 0.000 0.864 316 T HN 0.269 nan 8.240 nan 0.000 0.444 317 A N 1.266 124.121 122.820 0.058 0.000 1.972 317 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 317 A C 2.290 179.885 177.584 0.018 0.000 1.169 317 A CA 1.436 53.479 52.037 0.009 0.000 0.635 317 A CB -0.508 18.515 19.000 0.039 0.000 0.810 317 A HN 0.363 nan 8.150 nan 0.000 0.446 318 R N -0.970 119.504 120.500 -0.045 0.000 2.235 318 R HA 0.062 4.401 4.340 -0.001 0.000 0.213 318 R C 1.532 177.778 176.300 -0.091 0.000 1.059 318 R CA 0.744 56.749 56.100 -0.158 0.000 0.997 318 R CB -0.033 30.005 30.300 -0.437 0.000 0.884 318 R HN 0.439 nan 8.270 nan 0.000 0.462 319 R N -1.129 119.340 120.500 -0.053 0.000 2.393 319 R HA 0.037 4.376 4.340 -0.001 0.000 0.244 319 R C -0.602 175.665 176.300 -0.055 0.000 0.920 319 R CA -0.239 55.819 56.100 -0.070 0.000 1.076 319 R CB 0.427 30.668 30.300 -0.099 0.000 1.119 319 R HN 0.059 nan 8.270 nan 0.000 0.524 320 Y N 1.318 121.535 120.300 -0.138 0.000 2.304 320 Y HA 0.205 4.755 4.550 -0.001 0.000 0.328 320 Y C -0.327 175.544 175.900 -0.047 0.000 1.123 320 Y CA -1.013 57.011 58.100 -0.127 0.000 1.218 320 Y CB 0.609 38.972 38.460 -0.162 0.000 1.207 320 Y HN -0.152 nan 8.280 nan 0.000 0.495 321 N N 4.163 122.464 118.700 -0.665 0.000 2.444 321 N HA 0.046 4.786 4.740 -0.001 0.000 0.262 321 N C 0.404 175.460 175.510 -0.757 0.000 0.974 321 N CA -0.134 52.611 53.050 -0.508 0.000 0.933 321 N CB 0.453 38.776 38.487 -0.274 0.000 1.137 321 N HN 0.977 nan 8.380 nan 0.000 0.498 322 H N 3.189 121.939 119.070 -0.532 0.000 2.421 322 H HA 0.001 4.557 4.556 -0.001 0.000 0.298 322 H C 0.790 176.022 175.328 -0.160 0.000 1.087 322 H CA 2.034 57.910 56.048 -0.287 0.000 1.330 322 H CB 0.659 30.410 29.762 -0.018 0.000 1.388 322 H HN 0.689 nan 8.280 nan 0.000 0.526 323 E N -1.266 118.781 120.200 -0.257 0.000 2.122 323 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 323 E C 2.127 178.612 176.600 -0.192 0.000 0.977 323 E CA 1.376 57.631 56.400 -0.242 0.000 0.820 323 E CB 0.206 29.826 29.700 -0.134 0.000 0.770 323 E HN 0.648 nan 8.360 nan 0.000 0.462 324 T N -1.969 112.480 114.554 -0.175 0.000 3.035 324 T HA 0.036 4.385 4.350 -0.001 0.000 0.259 324 T C 0.661 175.301 174.700 -0.099 0.000 1.078 324 T CA 0.436 62.463 62.100 -0.122 0.000 1.132 324 T CB -0.002 68.806 68.868 -0.101 0.000 0.900 324 T HN 0.114 nan 8.240 nan 0.000 0.480 325 E N -0.221 119.875 120.200 -0.173 0.000 2.868 325 E HA -0.157 4.193 4.350 -0.001 0.000 0.278 325 E C -0.560 176.164 176.600 0.207 0.000 1.009 325 E CA 0.117 56.512 56.400 -0.009 0.000 0.856 325 E CB -2.267 27.512 29.700 0.130 0.000 1.428 325 E HN 0.614 nan 8.360 nan 0.000 0.423 326 C N -0.078 119.239 119.300 0.027 0.000 2.401 326 C HA 0.717 5.176 4.460 -0.001 0.000 0.356 326 C C 0.680 175.723 174.990 0.088 0.000 1.192 326 C CA -0.593 58.520 59.018 0.158 0.000 2.028 326 C CB 0.707 28.478 27.740 0.052 0.000 2.344 326 C HN 0.244 nan 8.230 nan 0.000 0.525 327 I N 0.942 121.599 120.570 0.146 0.000 2.433 327 I HA 0.319 4.488 4.170 -0.001 0.000 0.292 327 I C 0.134 176.131 176.117 -0.199 0.000 1.001 327 I CA 0.255 61.506 61.300 -0.082 0.000 1.119 327 I CB 1.807 39.702 38.000 -0.175 0.000 1.289 327 I HN 0.515 nan 8.210 nan 0.000 0.438 328 T N 6.570 120.967 114.554 -0.262 0.000 2.756 328 T HA 0.567 4.916 4.350 -0.001 0.000 0.290 328 T C -0.814 173.798 174.700 -0.147 0.000 0.985 328 T CA -0.178 61.838 62.100 -0.141 0.000 0.955 328 T CB 0.042 68.871 68.868 -0.064 0.000 0.930 328 T HN 0.218 nan 8.240 nan 0.000 0.451 329 F N 4.255 124.353 119.950 0.248 0.000 2.480 329 F HA 0.526 5.052 4.527 -0.001 0.000 0.329 329 F C 0.662 176.494 175.800 0.053 0.000 1.091 329 F CA -1.362 56.728 58.000 0.150 0.000 0.972 329 F CB 1.400 40.505 39.000 0.174 0.000 1.150 329 F HN 0.387 nan 8.300 nan 0.000 0.467 330 L N 4.239 125.560 121.223 0.163 0.000 3.746 330 L HA -0.385 3.954 4.340 -0.001 0.000 0.542 330 L C 1.103 177.908 176.870 -0.109 0.000 1.268 330 L CA 0.572 55.381 54.840 -0.053 0.000 0.818 330 L CB -1.139 40.780 42.059 -0.232 0.000 1.472 330 L HN 0.977 nan 8.230 nan 0.000 0.843 331 K N -1.230 119.154 120.400 -0.026 0.000 8.070 331 K HA -0.296 4.023 4.320 -0.001 0.000 0.487 331 K C 0.641 177.231 176.600 -0.016 0.000 0.363 331 K CA 2.393 58.664 56.287 -0.026 0.000 1.957 331 K CB -0.478 32.013 32.500 -0.015 0.000 0.676 331 K HN 0.668 nan 8.250 nan 0.000 0.908 332 D N -1.410 118.969 120.400 -0.035 0.000 2.871 332 D HA 0.398 5.037 4.640 -0.001 0.000 0.223 332 D C -0.013 176.409 176.300 0.202 0.000 1.225 332 D CA 0.463 54.506 54.000 0.072 0.000 1.188 332 D CB -0.140 40.747 40.800 0.146 0.000 1.105 332 D HN 0.333 nan 8.370 nan 0.000 0.444 333 F N 0.334 120.267 119.950 -0.029 0.000 2.243 333 F HA -0.186 4.340 4.527 -0.001 0.000 0.267 333 F C 0.094 175.701 175.800 -0.322 0.000 1.052 333 F CA -0.318 57.603 58.000 -0.132 0.000 0.999 333 F CB -1.431 37.670 39.000 0.168 0.000 1.310 333 F HN 0.051 nan 8.300 nan 0.000 0.787 334 T N 0.643 114.991 114.554 -0.343 0.000 2.837 334 T HA 0.706 5.055 4.350 -0.001 0.000 0.285 334 T C -0.862 173.493 174.700 -0.575 0.000 0.984 334 T CA -0.609 61.308 62.100 -0.306 0.000 1.049 334 T CB 1.832 70.606 68.868 -0.156 0.000 0.947 334 T HN 0.297 nan 8.240 nan 0.000 0.472 335 Y N 1.009 121.349 120.300 0.067 0.000 2.406 335 Y HA 0.532 5.081 4.550 -0.001 0.000 0.340 335 Y C 0.752 176.872 175.900 0.367 0.000 0.975 335 Y CA -1.020 57.206 58.100 0.210 0.000 1.056 335 Y CB 2.190 40.891 38.460 0.403 0.000 1.210 335 Y HN 1.004 nan 8.280 nan 0.000 0.448 336 S N 1.630 117.591 115.700 0.436 0.000 2.707 336 S HA 0.379 4.848 4.470 -0.001 0.000 0.276 336 S C 0.939 175.756 174.600 0.362 0.000 1.179 336 S CA -0.909 57.490 58.200 0.332 0.000 0.992 336 S CB 1.402 64.690 63.200 0.147 0.000 1.030 336 S HN 0.701 nan 8.310 nan 0.000 0.554 337 K N 0.432 120.753 120.400 -0.132 0.000 2.074 337 K HA -0.160 4.159 4.320 -0.001 0.000 0.209 337 K C 1.174 177.818 176.600 0.072 0.000 1.048 337 K CA 1.892 57.954 56.287 -0.374 0.000 0.926 337 K CB -0.507 31.592 32.500 -0.667 0.000 0.713 337 K HN 0.604 nan 8.250 nan 0.000 0.444 338 D N 0.923 121.388 120.400 0.109 0.000 2.183 338 D HA -0.106 4.533 4.640 -0.001 0.000 0.203 338 D C 1.529 178.022 176.300 0.321 0.000 0.969 338 D CA 0.885 55.001 54.000 0.193 0.000 0.842 338 D CB -0.203 40.672 40.800 0.125 0.000 0.957 338 D HN 0.157 nan 8.370 nan 0.000 0.484 339 D N -0.084 120.540 120.400 0.373 0.000 2.144 339 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 339 D C 1.951 178.495 176.300 0.407 0.000 0.984 339 D CA 0.549 54.822 54.000 0.455 0.000 0.834 339 D CB -0.285 40.762 40.800 0.412 0.000 0.955 339 D HN 0.196 nan 8.370 nan 0.000 0.465 340 F N 0.701 120.820 119.950 0.281 0.000 2.095 340 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 340 F C 2.496 178.364 175.800 0.113 0.000 1.104 340 F CA 1.209 59.331 58.000 0.202 0.000 1.232 340 F CB -0.742 38.505 39.000 0.411 0.000 0.987 340 F HN 0.088 nan 8.300 nan 0.000 0.475 341 H N 0.231 119.466 119.070 0.275 0.000 2.321 341 H HA -0.080 4.476 4.556 -0.001 0.000 0.300 341 H C 2.345 177.726 175.328 0.088 0.000 1.087 341 H CA 1.932 58.074 56.048 0.157 0.000 1.319 341 H CB -0.112 29.722 29.762 0.120 0.000 1.379 341 H HN 0.042 nan 8.280 nan 0.000 0.501 342 R N -0.276 120.255 120.500 0.053 0.000 2.159 342 R HA -0.057 4.283 4.340 -0.001 0.000 0.237 342 R C 2.070 178.273 176.300 -0.162 0.000 1.131 342 R CA 0.936 57.004 56.100 -0.053 0.000 0.982 342 R CB -0.167 30.204 30.300 0.119 0.000 0.868 342 R HN 0.371 nan 8.270 nan 0.000 0.453 343 A N -0.138 122.588 122.820 -0.157 0.000 2.238 343 A HA 0.235 4.554 4.320 -0.001 0.000 0.208 343 A C 1.350 178.911 177.584 -0.038 0.000 1.177 343 A CA 0.759 52.632 52.037 -0.274 0.000 0.804 343 A CB -0.016 18.410 19.000 -0.957 0.000 0.823 343 A HN 0.458 nan 8.150 nan 0.000 0.482 344 G N -1.566 107.195 108.800 -0.066 0.000 2.176 344 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.232 344 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.232 344 G C 0.050 174.995 174.900 0.075 0.000 0.986 344 G CA 0.088 45.166 45.100 -0.038 0.000 0.643 344 G HN 0.389 nan 8.290 nan 0.000 0.522 345 L N 1.410 122.743 121.223 0.182 0.000 2.375 345 L HA 0.511 4.851 4.340 -0.001 0.000 0.271 345 L C 1.131 178.198 176.870 0.329 0.000 1.107 345 L CA -0.836 54.208 54.840 0.340 0.000 0.806 345 L CB 1.240 43.609 42.059 0.516 0.000 1.146 345 L HN 0.514 nan 8.230 nan 0.000 0.447 346 Q N 1.338 121.339 119.800 0.335 0.000 2.259 346 Q HA 0.224 4.563 4.340 -0.001 0.000 0.246 346 Q C 0.346 176.516 176.000 0.284 0.000 0.920 346 Q CA -0.778 55.196 55.803 0.284 0.000 0.895 346 Q CB 1.824 30.683 28.738 0.202 0.000 1.220 346 Q HN 0.410 nan 8.270 nan 0.000 0.439 347 V N 2.287 122.322 119.914 0.201 0.000 2.490 347 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 347 V C 1.640 177.809 176.094 0.125 0.000 1.061 347 V CA 2.216 64.587 62.300 0.118 0.000 1.064 347 V CB -0.615 31.225 31.823 0.028 0.000 0.670 347 V HN 0.832 nan 8.190 nan 0.000 0.461 348 E N -0.823 119.466 120.200 0.148 0.000 2.265 348 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 348 E C 1.750 178.495 176.600 0.241 0.000 0.996 348 E CA 1.284 57.775 56.400 0.152 0.000 0.832 348 E CB -0.169 29.606 29.700 0.126 0.000 0.756 348 E HN 0.671 nan 8.360 nan 0.000 0.491 349 F N -0.194 119.818 119.950 0.103 0.000 2.383 349 F HA 0.208 4.735 4.527 -0.001 0.000 0.287 349 F C 1.603 177.499 175.800 0.160 0.000 1.069 349 F CA 0.216 58.291 58.000 0.125 0.000 1.402 349 F CB -0.194 38.895 39.000 0.148 0.000 1.116 349 F HN -0.100 nan 8.300 nan 0.000 0.549 350 I N 0.815 121.421 120.570 0.060 0.000 2.127 350 I HA -0.377 3.792 4.170 -0.001 0.000 0.241 350 I C 2.079 178.197 176.117 0.002 0.000 1.075 350 I CA 1.553 62.841 61.300 -0.020 0.000 1.334 350 I CB -0.641 37.408 38.000 0.083 0.000 1.040 350 I HN 0.148 nan 8.210 nan 0.000 0.405 351 N N 0.483 119.196 118.700 0.022 0.000 2.120 351 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 351 N C -0.645 174.898 175.510 0.056 0.000 1.024 351 N CA 1.457 54.522 53.050 0.025 0.000 0.852 351 N CB -1.693 36.801 38.487 0.011 0.000 1.003 351 N HN 0.242 nan 8.380 nan 0.000 0.424 352 P HA -0.061 nan 4.420 nan 0.000 0.216 352 P C 1.484 178.810 177.300 0.043 0.000 1.150 352 P CA 0.864 64.002 63.100 0.063 0.000 0.837 352 P CB 0.033 31.787 31.700 0.091 0.000 0.786 353 I N -2.513 118.029 120.570 -0.046 0.000 2.179 353 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 353 I C 1.998 178.029 176.117 -0.143 0.000 1.088 353 I CA 1.513 62.741 61.300 -0.121 0.000 1.357 353 I CB -0.646 37.174 38.000 -0.301 0.000 1.051 353 I HN -0.142 nan 8.210 nan 0.000 0.409 354 F N 0.859 120.670 119.950 -0.231 0.000 2.259 354 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 354 F C 2.548 178.184 175.800 -0.273 0.000 1.088 354 F CA 1.347 59.165 58.000 -0.303 0.000 1.358 354 F CB -0.324 38.529 39.000 -0.245 0.000 1.040 354 F HN 0.035 nan 8.300 nan 0.000 0.505 355 E N 0.100 120.317 120.200 0.028 0.000 2.072 355 E HA -0.228 4.121 4.350 -0.001 0.000 0.191 355 E C 2.047 178.629 176.600 -0.030 0.000 0.985 355 E CA 1.186 57.585 56.400 -0.002 0.000 0.801 355 E CB -0.674 29.049 29.700 0.039 0.000 0.750 355 E HN 0.338 nan 8.360 nan 0.000 0.452 356 F N 0.562 120.439 119.950 -0.122 0.000 2.134 356 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 356 F C 2.251 177.945 175.800 -0.178 0.000 1.097 356 F CA 1.677 59.605 58.000 -0.119 0.000 1.264 356 F CB -0.476 38.471 39.000 -0.088 0.000 1.001 356 F HN -0.033 nan 8.300 nan 0.000 0.479 357 S N 0.539 116.079 115.700 -0.267 0.000 2.359 357 S HA -0.214 4.255 4.470 -0.001 0.000 0.224 357 S C 2.038 176.327 174.600 -0.519 0.000 1.035 357 S CA 1.500 59.406 58.200 -0.490 0.000 1.018 357 S CB -0.367 62.328 63.200 -0.841 0.000 0.876 357 S HN 0.404 nan 8.310 nan 0.000 0.448 358 R N 0.946 121.147 120.500 -0.500 0.000 2.081 358 R HA -0.004 4.335 4.340 -0.001 0.000 0.235 358 R C 2.614 178.784 176.300 -0.217 0.000 1.131 358 R CA 1.247 57.186 56.100 -0.269 0.000 0.960 358 R CB -0.526 29.692 30.300 -0.138 0.000 0.856 358 R HN 0.414 nan 8.270 nan 0.000 0.436 359 A N 0.850 123.521 122.820 -0.248 0.000 1.933 359 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 359 A C 2.103 179.508 177.584 -0.298 0.000 1.175 359 A CA 1.214 53.108 52.037 -0.239 0.000 0.628 359 A CB -0.248 18.622 19.000 -0.217 0.000 0.814 359 A HN 0.118 nan 8.150 nan 0.000 0.444 360 M N -0.797 118.544 119.600 -0.432 0.000 2.200 360 M HA -0.067 4.412 4.480 -0.001 0.000 0.265 360 M C 2.216 178.421 176.300 -0.157 0.000 1.066 360 M CA 1.550 56.634 55.300 -0.360 0.000 1.127 360 M CB -1.140 31.194 32.600 -0.444 0.000 1.379 360 M HN 0.619 nan 8.290 nan 0.000 0.420 361 R N 0.482 120.917 120.500 -0.108 0.000 2.091 361 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 361 R C 2.164 178.426 176.300 -0.063 0.000 1.136 361 R CA 1.502 57.584 56.100 -0.030 0.000 0.959 361 R CB -0.167 30.143 30.300 0.017 0.000 0.856 361 R HN 0.305 nan 8.270 nan 0.000 0.437 362 R N 0.312 120.749 120.500 -0.105 0.000 2.105 362 R HA -0.086 4.254 4.340 -0.001 0.000 0.239 362 R C 2.428 178.682 176.300 -0.077 0.000 1.135 362 R CA 1.323 57.365 56.100 -0.096 0.000 0.967 362 R CB -0.300 29.936 30.300 -0.106 0.000 0.861 362 R HN 0.310 nan 8.270 nan 0.000 0.442 363 L N -0.271 120.893 121.223 -0.097 0.000 2.131 363 L HA -0.064 4.275 4.340 -0.001 0.000 0.210 363 L C 1.025 177.857 176.870 -0.063 0.000 1.092 363 L CA 1.081 55.866 54.840 -0.092 0.000 0.759 363 L CB -0.484 41.491 42.059 -0.140 0.000 0.903 363 L HN 0.513 nan 8.230 nan 0.000 0.435 364 G N 0.995 109.769 108.800 -0.044 0.000 2.314 364 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.292 364 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.292 364 G C 0.060 174.964 174.900 0.006 0.000 1.059 364 G CA -0.165 44.935 45.100 0.000 0.000 0.982 364 G HN 0.233 nan 8.290 nan 0.000 0.505 365 L N 0.768 121.965 121.223 -0.042 0.000 2.416 365 L HA 0.298 4.638 4.340 -0.001 0.000 0.272 365 L C 1.095 178.018 176.870 0.089 0.000 1.161 365 L CA -0.370 54.410 54.840 -0.099 0.000 0.845 365 L CB 0.362 42.095 42.059 -0.542 0.000 1.119 365 L HN 0.573 nan 8.230 nan 0.000 0.464 366 D N 0.954 121.416 120.400 0.102 0.000 2.433 366 D HA 0.014 4.653 4.640 -0.001 0.000 0.255 366 D C 0.430 176.836 176.300 0.176 0.000 1.226 366 D CA -0.478 53.612 54.000 0.151 0.000 1.015 366 D CB 0.681 41.575 40.800 0.158 0.000 1.091 366 D HN 0.370 nan 8.370 nan 0.000 0.527 367 D N -0.387 120.097 120.400 0.140 0.000 2.104 367 D HA -0.110 4.529 4.640 -0.001 0.000 0.194 367 D C 1.964 178.300 176.300 0.060 0.000 0.994 367 D CA 2.402 56.471 54.000 0.114 0.000 0.830 367 D CB -0.669 40.169 40.800 0.064 0.000 0.959 367 D HN 0.540 nan 8.370 nan 0.000 0.452 368 A N 0.635 123.429 122.820 -0.043 0.000 1.933 368 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 368 A C 2.073 179.517 177.584 -0.233 0.000 1.175 368 A CA 1.582 53.489 52.037 -0.216 0.000 0.628 368 A CB -0.538 18.128 19.000 -0.557 0.000 0.814 368 A HN 0.196 nan 8.150 nan 0.000 0.444 369 E N -1.423 118.667 120.200 -0.184 0.000 2.031 369 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 369 E C 1.813 178.369 176.600 -0.074 0.000 0.994 369 E CA 1.497 57.833 56.400 -0.106 0.000 0.800 369 E CB -0.323 29.342 29.700 -0.058 0.000 0.752 369 E HN 0.773 nan 8.360 nan 0.000 0.447 370 Y N 0.520 120.800 120.300 -0.033 0.000 2.081 370 Y HA -0.318 4.231 4.550 -0.001 0.000 0.280 370 Y C 2.425 178.297 175.900 -0.047 0.000 1.163 370 Y CA 1.330 59.407 58.100 -0.038 0.000 1.135 370 Y CB -0.272 38.158 38.460 -0.050 0.000 0.970 370 Y HN 0.088 nan 8.280 nan 0.000 0.498 371 A N -0.211 122.689 122.820 0.134 0.000 1.902 371 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 371 A C 2.205 179.865 177.584 0.128 0.000 1.181 371 A CA 1.727 53.828 52.037 0.107 0.000 0.623 371 A CB -1.100 17.983 19.000 0.137 0.000 0.818 371 A HN 0.503 nan 8.150 nan 0.000 0.443 372 L N -1.239 120.037 121.223 0.088 0.000 2.093 372 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 372 L C 2.499 179.426 176.870 0.095 0.000 1.085 372 L CA 0.895 55.804 54.840 0.114 0.000 0.755 372 L CB -0.398 41.721 42.059 0.100 0.000 0.904 372 L HN 0.422 nan 8.230 nan 0.000 0.435 373 L N -0.071 121.188 121.223 0.058 0.000 2.083 373 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 373 L C 2.236 179.130 176.870 0.041 0.000 1.083 373 L CA 1.730 56.595 54.840 0.042 0.000 0.752 373 L CB -0.304 41.748 42.059 -0.010 0.000 0.899 373 L HN 0.112 nan 8.230 nan 0.000 0.433 374 I N -0.967 119.627 120.570 0.041 0.000 2.252 374 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 374 I C 2.547 178.666 176.117 0.003 0.000 1.102 374 I CA 1.100 62.409 61.300 0.014 0.000 1.385 374 I CB -0.569 37.397 38.000 -0.057 0.000 1.064 374 I HN 0.300 nan 8.210 nan 0.000 0.414 375 A N 1.026 123.843 122.820 -0.005 0.000 1.877 375 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 375 A C 2.286 179.797 177.584 -0.121 0.000 1.186 375 A CA 1.595 53.508 52.037 -0.206 0.000 0.620 375 A CB -0.873 17.806 19.000 -0.534 0.000 0.822 375 A HN 0.367 nan 8.150 nan 0.000 0.443 376 I N 0.079 120.661 120.570 0.021 0.000 2.179 376 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 376 I C 2.551 178.723 176.117 0.092 0.000 1.088 376 I CA 1.515 62.896 61.300 0.135 0.000 1.357 376 I CB -0.469 37.623 38.000 0.153 0.000 1.051 376 I HN 0.493 nan 8.210 nan 0.000 0.409 377 N N 1.635 120.357 118.700 0.036 0.000 2.036 377 N HA -0.229 4.510 4.740 -0.001 0.000 0.195 377 N C 2.024 177.524 175.510 -0.016 0.000 1.037 377 N CA 1.881 54.940 53.050 0.015 0.000 0.855 377 N CB -0.125 38.364 38.487 0.004 0.000 1.033 377 N HN 0.302 nan 8.380 nan 0.000 0.423 378 I N 0.013 120.518 120.570 -0.108 0.000 2.151 378 I HA -0.259 3.910 4.170 -0.001 0.000 0.243 378 I C 0.644 176.635 176.117 -0.210 0.000 1.080 378 I CA 1.158 62.315 61.300 -0.238 0.000 1.339 378 I CB -0.355 37.347 38.000 -0.498 0.000 1.039 378 I HN 0.029 nan 8.210 nan 0.000 0.409 379 F N 1.411 121.401 119.950 0.066 0.000 2.752 379 F HA 0.159 4.685 4.527 -0.001 0.000 0.332 379 F C 0.588 176.432 175.800 0.073 0.000 1.188 379 F CA -0.461 57.590 58.000 0.085 0.000 1.296 379 F CB -0.223 38.836 39.000 0.098 0.000 1.526 379 F HN -0.141 nan 8.300 nan 0.000 0.576 380 S N 0.696 116.504 115.700 0.179 0.000 2.422 380 S HA 0.395 4.864 4.470 -0.001 0.000 0.298 380 S C 1.104 175.774 174.600 0.117 0.000 1.118 380 S CA -0.529 57.748 58.200 0.129 0.000 1.083 380 S CB 1.670 64.919 63.200 0.081 0.000 0.971 380 S HN 0.549 nan 8.310 nan 0.000 0.478 381 A N 2.570 125.455 122.820 0.109 0.000 2.015 381 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 381 A C 1.613 179.235 177.584 0.064 0.000 1.163 381 A CA 1.253 53.342 52.037 0.087 0.000 0.646 381 A CB -0.315 18.729 19.000 0.074 0.000 0.806 381 A HN 0.816 nan 8.150 nan 0.000 0.448 382 D N -0.646 119.788 120.400 0.056 0.000 2.325 382 D HA 0.005 4.644 4.640 -0.001 0.000 0.234 382 D C 0.212 176.536 176.300 0.041 0.000 1.122 382 D CA -0.272 53.754 54.000 0.043 0.000 0.850 382 D CB -0.254 40.567 40.800 0.036 0.000 0.921 382 D HN 0.016 nan 8.370 nan 0.000 0.513 383 R N 1.386 121.915 120.500 0.049 0.000 2.694 383 R HA 0.273 4.612 4.340 -0.001 0.000 0.268 383 R C -2.181 174.143 176.300 0.040 0.000 1.061 383 R CA -1.982 54.145 56.100 0.046 0.000 1.133 383 R CB -0.944 29.389 30.300 0.055 0.000 1.020 383 R HN 0.106 nan 8.270 nan 0.000 0.475 384 P HA 0.039 nan 4.420 nan 0.000 0.265 384 P C -0.480 176.840 177.300 0.034 0.000 1.193 384 P CA 0.319 63.439 63.100 0.033 0.000 0.765 384 P CB 0.206 31.927 31.700 0.035 0.000 0.823 385 N N -1.144 117.573 118.700 0.028 0.000 2.782 385 N HA -0.135 4.605 4.740 -0.001 0.000 0.251 385 N C -0.704 174.821 175.510 0.024 0.000 1.101 385 N CA -0.003 53.062 53.050 0.025 0.000 0.764 385 N CB -1.707 36.795 38.487 0.025 0.000 1.122 385 N HN 0.116 nan 8.380 nan 0.000 0.561 386 V N 1.072 121.003 119.914 0.029 0.000 2.508 386 V HA 0.012 4.131 4.120 -0.001 0.000 0.281 386 V C 1.407 177.514 176.094 0.022 0.000 1.041 386 V CA 0.363 62.681 62.300 0.030 0.000 1.016 386 V CB 1.572 33.421 31.823 0.043 0.000 0.984 386 V HN 0.260 nan 8.190 nan 0.000 0.478 387 Q N 2.456 122.265 119.800 0.016 0.000 2.250 387 Q HA 0.099 4.439 4.340 -0.001 0.000 0.200 387 Q C 0.290 176.296 176.000 0.011 0.000 0.941 387 Q CA 0.780 56.590 55.803 0.010 0.000 0.872 387 Q CB 0.430 29.170 28.738 0.004 0.000 0.965 387 Q HN 0.769 nan 8.270 nan 0.000 0.480 388 E N 0.909 121.117 120.200 0.013 0.000 3.406 388 E HA 0.101 4.450 4.350 -0.001 0.000 0.210 388 E C -2.088 174.526 176.600 0.024 0.000 1.167 388 E CA -1.319 55.089 56.400 0.013 0.000 1.132 388 E CB 0.973 30.675 29.700 0.004 0.000 1.309 388 E HN 0.159 nan 8.360 nan 0.000 0.424 389 P HA -0.140 nan 4.420 nan 0.000 0.221 389 P C 1.437 178.758 177.300 0.035 0.000 1.150 389 P CA 0.886 64.010 63.100 0.040 0.000 0.800 389 P CB 0.331 32.053 31.700 0.036 0.000 0.787 390 G N 0.954 109.767 108.800 0.022 0.000 2.418 390 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 390 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 390 G C 1.814 176.718 174.900 0.007 0.000 1.158 390 G CA 0.326 45.434 45.100 0.015 0.000 0.771 390 G HN 0.187 nan 8.290 nan 0.000 0.545 391 R N 0.101 120.603 120.500 0.003 0.000 2.075 391 R HA -0.011 4.329 4.340 -0.001 0.000 0.232 391 R C 2.666 178.956 176.300 -0.017 0.000 1.126 391 R CA 1.098 57.190 56.100 -0.013 0.000 0.963 391 R CB -1.064 29.228 30.300 -0.014 0.000 0.858 391 R HN 0.343 nan 8.270 nan 0.000 0.435 392 V N 1.536 121.468 119.914 0.030 0.000 2.343 392 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 392 V C 2.422 178.557 176.094 0.069 0.000 1.051 392 V CA 1.861 64.215 62.300 0.090 0.000 1.036 392 V CB -0.531 31.385 31.823 0.154 0.000 0.654 392 V HN 0.389 nan 8.190 nan 0.000 0.451 393 E N 0.046 120.280 120.200 0.055 0.000 2.110 393 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 393 E C 2.242 178.853 176.600 0.019 0.000 0.988 393 E CA 1.245 57.677 56.400 0.053 0.000 0.804 393 E CB -0.162 29.565 29.700 0.045 0.000 0.745 393 E HN 0.589 nan 8.360 nan 0.000 0.458 394 A N 0.653 123.464 122.820 -0.016 0.000 1.930 394 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 394 A C 2.099 179.629 177.584 -0.090 0.000 1.175 394 A CA 0.770 52.782 52.037 -0.040 0.000 0.627 394 A CB -0.418 18.556 19.000 -0.043 0.000 0.815 394 A HN 0.248 nan 8.150 nan 0.000 0.443 395 L N -0.979 120.136 121.223 -0.178 0.000 2.217 395 L HA -0.158 4.182 4.340 -0.001 0.000 0.211 395 L C 2.756 179.485 176.870 -0.236 0.000 1.107 395 L CA 1.375 55.990 54.840 -0.374 0.000 0.783 395 L CB -0.430 41.123 42.059 -0.842 0.000 0.919 395 L HN 0.532 nan 8.230 nan 0.000 0.442 396 Q N 0.232 120.009 119.800 -0.038 0.000 2.119 396 Q HA -0.264 4.076 4.340 -0.001 0.000 0.201 396 Q C 2.187 178.309 176.000 0.204 0.000 0.972 396 Q CA 1.474 57.410 55.803 0.221 0.000 0.847 396 Q CB 0.045 28.922 28.738 0.230 0.000 0.903 396 Q HN 0.513 nan 8.270 nan 0.000 0.433 397 Q N 0.494 120.346 119.800 0.085 0.000 2.012 397 Q HA -0.181 4.158 4.340 -0.001 0.000 0.211 397 Q C -0.912 175.103 176.000 0.024 0.000 1.009 397 Q CA 2.574 58.409 55.803 0.053 0.000 0.866 397 Q CB -0.781 27.963 28.738 0.010 0.000 0.945 397 Q HN 0.335 nan 8.270 nan 0.000 0.414 398 P HA -0.188 nan 4.420 nan 0.000 0.219 398 P C 0.520 177.694 177.300 -0.210 0.000 1.146 398 P CA 1.507 64.495 63.100 -0.187 0.000 0.808 398 P CB -0.249 31.249 31.700 -0.336 0.000 0.779 399 Y N -0.560 119.780 120.300 0.066 0.000 2.286 399 Y HA -0.089 4.460 4.550 -0.001 0.000 0.293 399 Y C 2.657 178.631 175.900 0.123 0.000 1.124 399 Y CA 0.424 58.588 58.100 0.107 0.000 1.178 399 Y CB -1.100 37.459 38.460 0.165 0.000 1.010 399 Y HN -0.275 nan 8.280 nan 0.000 0.536 400 V N 0.296 120.370 119.914 0.266 0.000 2.261 400 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 400 V C 2.040 178.219 176.094 0.141 0.000 1.047 400 V CA 2.122 64.574 62.300 0.253 0.000 1.015 400 V CB -0.573 31.391 31.823 0.235 0.000 0.642 400 V HN 0.398 nan 8.190 nan 0.000 0.446 401 E N 0.076 120.311 120.200 0.059 0.000 2.097 401 E HA -0.256 4.093 4.350 -0.001 0.000 0.196 401 E C 2.295 178.886 176.600 -0.015 0.000 1.000 401 E CA 1.468 57.860 56.400 -0.015 0.000 0.804 401 E CB -0.333 29.350 29.700 -0.027 0.000 0.740 401 E HN 0.610 nan 8.360 nan 0.000 0.454 402 A N 0.836 123.669 122.820 0.021 0.000 1.930 402 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 402 A C 2.115 179.760 177.584 0.102 0.000 1.175 402 A CA 0.933 52.999 52.037 0.048 0.000 0.627 402 A CB -0.416 18.609 19.000 0.040 0.000 0.815 402 A HN 0.225 nan 8.150 nan 0.000 0.443 403 L N -0.911 120.389 121.223 0.128 0.000 2.093 403 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 403 L C 2.173 179.088 176.870 0.076 0.000 1.085 403 L CA 1.590 56.536 54.840 0.177 0.000 0.755 403 L CB -0.557 41.670 42.059 0.280 0.000 0.904 403 L HN 0.320 nan 8.230 nan 0.000 0.435 404 L N -0.921 120.192 121.223 -0.183 0.000 1.994 404 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 404 L C 2.528 179.279 176.870 -0.197 0.000 1.071 404 L CA 2.144 56.684 54.840 -0.501 0.000 0.745 404 L CB -1.065 40.610 42.059 -0.640 0.000 0.892 404 L HN 0.317 nan 8.230 nan 0.000 0.431 405 S N -1.598 114.050 115.700 -0.086 0.000 2.368 405 S HA -0.245 4.225 4.470 -0.001 0.000 0.225 405 S C 1.871 176.482 174.600 0.018 0.000 1.030 405 S CA 1.509 59.690 58.200 -0.032 0.000 0.999 405 S CB -0.694 62.502 63.200 -0.006 0.000 0.844 405 S HN 0.593 nan 8.310 nan 0.000 0.459 406 Y N 2.731 123.012 120.300 -0.030 0.000 2.145 406 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 406 Y C 2.884 178.785 175.900 0.002 0.000 1.145 406 Y CA 1.962 60.062 58.100 0.001 0.000 1.148 406 Y CB -0.807 37.672 38.460 0.032 0.000 0.981 406 Y HN 0.413 nan 8.280 nan 0.000 0.507 407 T N -1.886 112.748 114.554 0.134 0.000 2.995 407 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 407 T C 1.876 176.559 174.700 -0.028 0.000 1.091 407 T CA 1.011 63.155 62.100 0.073 0.000 1.128 407 T CB -0.289 68.679 68.868 0.166 0.000 0.891 407 T HN 0.316 nan 8.240 nan 0.000 0.492 408 R N 0.401 120.867 120.500 -0.058 0.000 2.073 408 R HA 0.203 4.542 4.340 -0.001 0.000 0.229 408 R C 2.388 178.634 176.300 -0.089 0.000 1.120 408 R CA 1.279 57.339 56.100 -0.068 0.000 0.967 408 R CB -0.387 29.869 30.300 -0.073 0.000 0.862 408 R HN 0.447 nan 8.270 nan 0.000 0.436 409 I N 0.594 121.084 120.570 -0.133 0.000 2.277 409 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 409 I C 2.634 178.632 176.117 -0.199 0.000 1.094 409 I CA 1.012 62.218 61.300 -0.157 0.000 1.393 409 I CB -0.219 37.677 38.000 -0.175 0.000 1.078 409 I HN 0.077 nan 8.210 nan 0.000 0.417 410 K N 1.131 121.342 120.400 -0.316 0.000 2.002 410 K HA -0.096 4.223 4.320 -0.001 0.000 0.209 410 K C 0.403 176.923 176.600 -0.134 0.000 1.048 410 K CA 1.224 57.333 56.287 -0.298 0.000 0.930 410 K CB 0.285 32.522 32.500 -0.438 0.000 0.714 410 K HN 0.042 nan 8.250 nan 0.000 0.438 411 R N 0.428 120.874 120.500 -0.090 0.000 2.494 411 R HA 0.209 4.548 4.340 -0.001 0.000 0.284 411 R C -2.323 173.958 176.300 -0.032 0.000 1.525 411 R CA -2.198 53.878 56.100 -0.040 0.000 1.460 411 R CB 1.040 31.335 30.300 -0.009 0.000 1.134 411 R HN 0.179 nan 8.270 nan 0.000 0.592 412 P HA -0.072 nan 4.420 nan 0.000 0.221 412 P C 0.726 178.016 177.300 -0.016 0.000 1.150 412 P CA 0.909 63.991 63.100 -0.031 0.000 0.800 412 P CB 0.566 32.246 31.700 -0.034 0.000 0.787 413 Q N -0.750 119.043 119.800 -0.012 0.000 2.280 413 Q HA 0.069 4.408 4.340 -0.001 0.000 0.201 413 Q C -0.176 175.824 176.000 0.001 0.000 0.890 413 Q CA 0.474 56.273 55.803 -0.006 0.000 0.947 413 Q CB -0.039 28.695 28.738 -0.007 0.000 1.081 413 Q HN 0.239 nan 8.270 nan 0.000 0.502 414 D N 0.304 120.707 120.400 0.005 0.000 2.438 414 D HA 0.107 4.746 4.640 -0.001 0.000 0.257 414 D C 0.646 176.963 176.300 0.028 0.000 1.148 414 D CA -0.153 53.856 54.000 0.015 0.000 0.902 414 D CB 0.746 41.555 40.800 0.015 0.000 1.062 414 D HN -0.222 nan 8.370 nan 0.000 0.518 415 Q N 2.329 122.146 119.800 0.030 0.000 2.369 415 Q HA 0.063 4.402 4.340 -0.001 0.000 0.206 415 Q C 1.154 177.199 176.000 0.074 0.000 0.963 415 Q CA 0.666 56.495 55.803 0.044 0.000 0.894 415 Q CB 0.589 29.347 28.738 0.033 0.000 0.965 415 Q HN 0.638 nan 8.270 nan 0.000 0.475 416 L N -0.059 121.200 121.223 0.061 0.000 2.628 416 L HA 0.125 4.464 4.340 -0.001 0.000 0.229 416 L C 2.139 179.048 176.870 0.064 0.000 1.137 416 L CA -0.008 54.870 54.840 0.063 0.000 0.909 416 L CB -0.107 41.971 42.059 0.032 0.000 1.137 416 L HN 0.108 nan 8.230 nan 0.000 0.470 417 R N 0.841 121.392 120.500 0.084 0.000 2.070 417 R HA -0.235 4.105 4.340 -0.001 0.000 0.233 417 R C 2.300 178.666 176.300 0.111 0.000 1.137 417 R CA 1.896 58.043 56.100 0.079 0.000 0.945 417 R CB -0.348 30.004 30.300 0.086 0.000 0.845 417 R HN 0.226 nan 8.270 nan 0.000 0.430 418 F N 1.838 121.797 119.950 0.016 0.000 2.069 418 F HA -0.021 4.505 4.527 -0.001 0.000 0.298 418 F C -1.172 174.638 175.800 0.018 0.000 1.113 418 F CA 1.055 59.070 58.000 0.024 0.000 1.214 418 F CB -1.042 37.979 39.000 0.035 0.000 0.978 418 F HN 0.071 nan 8.300 nan 0.000 0.474 419 P HA -0.182 nan 4.420 nan 0.000 0.215 419 P C 1.479 178.671 177.300 -0.181 0.000 1.153 419 P CA 2.034 64.985 63.100 -0.248 0.000 0.853 419 P CB -0.245 31.424 31.700 -0.052 0.000 0.788 420 R N -1.122 119.321 120.500 -0.095 0.000 2.105 420 R HA -0.082 4.257 4.340 -0.001 0.000 0.239 420 R C 2.392 178.633 176.300 -0.099 0.000 1.135 420 R CA 1.558 57.612 56.100 -0.076 0.000 0.967 420 R CB -0.661 29.612 30.300 -0.046 0.000 0.861 420 R HN 0.276 nan 8.270 nan 0.000 0.442 421 M N 0.210 119.736 119.600 -0.123 0.000 2.099 421 M HA -0.140 4.339 4.480 -0.001 0.000 0.262 421 M C 2.167 178.386 176.300 -0.135 0.000 1.067 421 M CA 1.538 56.764 55.300 -0.122 0.000 1.124 421 M CB -0.162 32.382 32.600 -0.093 0.000 1.353 421 M HN 0.123 nan 8.290 nan 0.000 0.410 422 L N -0.533 120.552 121.223 -0.229 0.000 2.191 422 L HA -0.192 4.148 4.340 -0.001 0.000 0.212 422 L C 2.472 179.278 176.870 -0.106 0.000 1.103 422 L CA 0.561 55.281 54.840 -0.199 0.000 0.769 422 L CB -0.616 41.242 42.059 -0.335 0.000 0.908 422 L HN 0.378 nan 8.230 nan 0.000 0.438 423 M N -0.425 119.119 119.600 -0.094 0.000 2.358 423 M HA -0.127 4.352 4.480 -0.001 0.000 0.264 423 M C 2.047 178.351 176.300 0.006 0.000 1.064 423 M CA 1.386 56.661 55.300 -0.041 0.000 1.093 423 M CB -0.794 31.782 32.600 -0.039 0.000 1.401 423 M HN 0.090 nan 8.290 nan 0.000 0.440 424 K N 0.354 120.765 120.400 0.019 0.000 2.217 424 K HA 0.086 4.405 4.320 -0.001 0.000 0.202 424 K C 2.018 178.697 176.600 0.133 0.000 1.051 424 K CA 0.673 57.033 56.287 0.122 0.000 0.952 424 K CB -0.482 32.081 32.500 0.105 0.000 0.736 424 K HN 0.399 nan 8.250 nan 0.000 0.453 425 L N 0.487 121.741 121.223 0.050 0.000 2.083 425 L HA -0.159 4.181 4.340 -0.001 0.000 0.209 425 L C 2.247 179.125 176.870 0.013 0.000 1.083 425 L CA 0.759 55.614 54.840 0.026 0.000 0.752 425 L CB -0.663 41.401 42.059 0.008 0.000 0.899 425 L HN -0.132 nan 8.230 nan 0.000 0.433 426 V N -1.030 118.893 119.914 0.015 0.000 2.295 426 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 426 V C 2.586 178.688 176.094 0.013 0.000 1.049 426 V CA 2.023 64.329 62.300 0.010 0.000 1.024 426 V CB -0.606 31.223 31.823 0.009 0.000 0.648 426 V HN 0.349 nan 8.190 nan 0.000 0.447 427 S N 0.098 115.825 115.700 0.045 0.000 2.370 427 S HA -0.137 4.332 4.470 -0.001 0.000 0.226 427 S C 1.928 176.484 174.600 -0.074 0.000 1.033 427 S CA 1.618 59.849 58.200 0.053 0.000 1.011 427 S CB -0.429 62.903 63.200 0.220 0.000 0.852 427 S HN 0.463 nan 8.310 nan 0.000 0.457 428 L N 0.888 122.038 121.223 -0.121 0.000 2.083 428 L HA -0.102 4.237 4.340 -0.001 0.000 0.209 428 L C 2.763 179.558 176.870 -0.124 0.000 1.083 428 L CA 0.951 55.654 54.840 -0.228 0.000 0.752 428 L CB -0.377 41.582 42.059 -0.168 0.000 0.899 428 L HN 0.171 nan 8.230 nan 0.000 0.433 429 R N -0.502 119.962 120.500 -0.061 0.000 2.081 429 R HA -0.108 4.231 4.340 -0.001 0.000 0.235 429 R C 2.248 178.528 176.300 -0.034 0.000 1.131 429 R CA 1.717 57.796 56.100 -0.035 0.000 0.960 429 R CB -1.075 29.216 30.300 -0.015 0.000 0.856 429 R HN 0.328 nan 8.270 nan 0.000 0.436 430 T N 2.103 116.638 114.554 -0.031 0.000 2.674 430 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 430 T C 1.835 176.524 174.700 -0.018 0.000 1.039 430 T CA 0.852 62.942 62.100 -0.018 0.000 1.150 430 T CB -0.133 68.734 68.868 -0.003 0.000 0.864 430 T HN -0.017 nan 8.240 nan 0.000 0.427 431 L N 1.331 122.524 121.223 -0.049 0.000 2.079 431 L HA -0.065 4.274 4.340 -0.001 0.000 0.210 431 L C 2.729 179.604 176.870 0.008 0.000 1.081 431 L CA 1.464 56.290 54.840 -0.023 0.000 0.752 431 L CB -1.749 40.217 42.059 -0.155 0.000 0.896 431 L HN 0.268 nan 8.230 nan 0.000 0.433 432 S N -1.367 114.308 115.700 -0.041 0.000 2.368 432 S HA -0.201 4.269 4.470 -0.001 0.000 0.225 432 S C 2.387 176.972 174.600 -0.025 0.000 1.030 432 S CA 1.738 59.916 58.200 -0.036 0.000 0.999 432 S CB -0.118 63.061 63.200 -0.035 0.000 0.844 432 S HN 0.471 nan 8.310 nan 0.000 0.459 433 S N 0.139 115.823 115.700 -0.027 0.000 2.359 433 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 433 S C 1.847 176.415 174.600 -0.054 0.000 1.035 433 S CA 1.530 59.707 58.200 -0.038 0.000 1.018 433 S CB -0.588 62.595 63.200 -0.028 0.000 0.876 433 S HN 0.422 nan 8.310 nan 0.000 0.448 434 V N 2.119 122.021 119.914 -0.020 0.000 2.324 434 V HA -0.215 3.904 4.120 -0.001 0.000 0.250 434 V C 2.416 178.405 176.094 -0.175 0.000 1.060 434 V CA 2.303 64.598 62.300 -0.008 0.000 1.042 434 V CB -0.979 30.920 31.823 0.127 0.000 0.650 434 V HN 0.677 nan 8.190 nan 0.000 0.450 435 H N 0.138 118.984 119.070 -0.373 0.000 2.357 435 H HA -0.130 4.425 4.556 -0.001 0.000 0.301 435 H C 2.478 177.498 175.328 -0.514 0.000 1.082 435 H CA 1.784 57.386 56.048 -0.743 0.000 1.342 435 H CB 0.126 29.498 29.762 -0.650 0.000 1.389 435 H HN 0.438 nan 8.280 nan 0.000 0.511 436 S N 0.564 116.049 115.700 -0.358 0.000 2.387 436 S HA -0.166 4.304 4.470 -0.001 0.000 0.230 436 S C 1.918 176.394 174.600 -0.206 0.000 1.035 436 S CA 1.599 59.639 58.200 -0.267 0.000 1.014 436 S CB -0.147 62.978 63.200 -0.125 0.000 0.836 436 S HN 0.576 nan 8.310 nan 0.000 0.466 437 E N 0.571 120.661 120.200 -0.185 0.000 2.072 437 E HA -0.206 4.144 4.350 -0.001 0.000 0.191 437 E C 2.259 178.816 176.600 -0.071 0.000 0.985 437 E CA 1.126 57.475 56.400 -0.085 0.000 0.801 437 E CB -0.161 29.499 29.700 -0.068 0.000 0.750 437 E HN 0.393 nan 8.360 nan 0.000 0.452 438 Q N 1.203 120.849 119.800 -0.257 0.000 2.084 438 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 438 Q C 2.219 178.071 176.000 -0.246 0.000 0.978 438 Q CA 1.959 57.595 55.803 -0.277 0.000 0.844 438 Q CB -0.232 28.160 28.738 -0.576 0.000 0.898 438 Q HN 0.300 nan 8.270 nan 0.000 0.426 439 V N -1.462 118.225 119.914 -0.378 0.000 2.548 439 V HA -0.088 4.032 4.120 -0.001 0.000 0.249 439 V C 2.104 178.169 176.094 -0.048 0.000 1.055 439 V CA 1.648 63.817 62.300 -0.219 0.000 1.065 439 V CB -1.046 30.610 31.823 -0.278 0.000 0.681 439 V HN 0.376 nan 8.190 nan 0.000 0.462 440 F N 2.389 122.251 119.950 -0.148 0.000 2.186 440 F HA 0.104 4.630 4.527 -0.001 0.000 0.299 440 F C 2.416 178.175 175.800 -0.068 0.000 1.090 440 F CA 1.549 59.497 58.000 -0.086 0.000 1.307 440 F CB -0.584 38.367 39.000 -0.081 0.000 1.019 440 F HN 0.213 nan 8.300 nan 0.000 0.489 441 A N 0.433 123.234 122.820 -0.031 0.000 2.067 441 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 441 A C 2.224 179.721 177.584 -0.146 0.000 1.158 441 A CA 1.344 53.326 52.037 -0.091 0.000 0.661 441 A CB -1.084 17.919 19.000 0.004 0.000 0.801 441 A HN 0.512 nan 8.150 nan 0.000 0.452 442 L N -1.275 119.868 121.223 -0.133 0.000 2.083 442 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 442 L C 2.672 179.438 176.870 -0.174 0.000 1.083 442 L CA 1.643 56.399 54.840 -0.140 0.000 0.752 442 L CB -0.539 41.483 42.059 -0.060 0.000 0.899 442 L HN 0.396 nan 8.230 nan 0.000 0.433 443 R N 1.031 121.400 120.500 -0.218 0.000 2.112 443 R HA -0.207 4.132 4.340 -0.001 0.000 0.242 443 R C 2.066 178.242 176.300 -0.208 0.000 1.137 443 R CA 1.906 57.864 56.100 -0.236 0.000 0.944 443 R CB -0.567 29.500 30.300 -0.387 0.000 0.857 443 R HN 0.266 nan 8.270 nan 0.000 0.435 444 L N 0.260 121.346 121.223 -0.229 0.000 2.418 444 L HA 0.033 4.373 4.340 -0.001 0.000 0.218 444 L C 1.848 178.639 176.870 -0.131 0.000 1.125 444 L CA 0.620 55.362 54.840 -0.165 0.000 0.835 444 L CB -0.173 41.794 42.059 -0.154 0.000 0.953 444 L HN 0.183 nan 8.230 nan 0.000 0.454 445 Q N -0.320 119.392 119.800 -0.146 0.000 2.403 445 Q HA -0.080 4.259 4.340 -0.001 0.000 0.203 445 Q C 0.045 175.949 176.000 -0.159 0.000 0.932 445 Q CA 0.223 55.938 55.803 -0.146 0.000 0.945 445 Q CB 0.113 28.751 28.738 -0.167 0.000 1.045 445 Q HN 0.373 nan 8.270 nan 0.000 0.511 446 D N 0.870 121.184 120.400 -0.142 0.000 2.870 446 D HA -0.149 4.491 4.640 -0.001 0.000 0.228 446 D C -0.842 175.363 176.300 -0.158 0.000 1.147 446 D CA 0.829 54.754 54.000 -0.125 0.000 0.757 446 D CB -0.486 40.253 40.800 -0.102 0.000 1.091 446 D HN 0.224 nan 8.370 nan 0.000 0.429 447 K N 0.465 120.743 120.400 -0.203 0.000 2.270 447 K HA 0.508 4.827 4.320 -0.001 0.000 0.255 447 K C -0.513 176.030 176.600 -0.095 0.000 0.936 447 K CA -0.679 55.438 56.287 -0.283 0.000 0.809 447 K CB 1.595 33.694 32.500 -0.667 0.000 1.131 447 K HN -0.143 nan 8.250 nan 0.000 0.427 448 K N 2.143 122.580 120.400 0.061 0.000 2.324 448 K HA 0.411 4.730 4.320 -0.001 0.000 0.253 448 K C -0.785 175.994 176.600 0.298 0.000 0.932 448 K CA -0.505 55.867 56.287 0.141 0.000 0.799 448 K CB 1.510 34.060 32.500 0.083 0.000 1.154 448 K HN 0.329 nan 8.250 nan 0.000 0.425 449 L N 4.953 126.323 121.223 0.245 0.000 2.416 449 L HA 0.252 4.591 4.340 -0.001 0.000 0.272 449 L C -1.685 175.251 176.870 0.110 0.000 1.161 449 L CA -1.561 53.406 54.840 0.213 0.000 0.845 449 L CB 0.240 42.431 42.059 0.219 0.000 1.119 449 L HN 0.455 nan 8.230 nan 0.000 0.464 450 P HA 0.157 nan 4.420 nan 0.000 0.272 450 P C -2.288 175.002 177.300 -0.018 0.000 1.230 450 P CA -1.484 61.623 63.100 0.010 0.000 0.788 450 P CB 0.263 31.947 31.700 -0.027 0.000 0.949 451 P HA -0.201 nan 4.420 nan 0.000 0.219 451 P C 1.691 178.951 177.300 -0.067 0.000 1.161 451 P CA 1.725 64.805 63.100 -0.033 0.000 0.909 451 P CB -0.206 31.476 31.700 -0.030 0.000 0.793 452 L N -2.221 118.945 121.223 -0.095 0.000 2.141 452 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 452 L C 2.433 179.164 176.870 -0.232 0.000 1.094 452 L CA 1.041 55.795 54.840 -0.143 0.000 0.763 452 L CB -0.670 41.304 42.059 -0.141 0.000 0.908 452 L HN -0.003 nan 8.230 nan 0.000 0.437 453 L N -1.556 119.522 121.223 -0.242 0.000 2.209 453 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 453 L C 2.741 179.468 176.870 -0.239 0.000 1.094 453 L CA 0.657 55.252 54.840 -0.408 0.000 0.790 453 L CB -0.337 41.556 42.059 -0.276 0.000 0.932 453 L HN 0.197 nan 8.230 nan 0.000 0.447 454 S N 0.556 116.211 115.700 -0.075 0.000 2.368 454 S HA -0.205 4.265 4.470 -0.001 0.000 0.224 454 S C 1.824 176.417 174.600 -0.010 0.000 1.029 454 S CA 1.575 59.784 58.200 0.014 0.000 0.988 454 S CB -0.105 63.110 63.200 0.025 0.000 0.838 454 S HN 0.621 nan 8.310 nan 0.000 0.462 455 E N 0.497 120.659 120.200 -0.064 0.000 2.265 455 E HA -0.112 4.238 4.350 -0.001 0.000 0.196 455 E C 1.827 178.389 176.600 -0.064 0.000 0.996 455 E CA 1.302 57.670 56.400 -0.054 0.000 0.832 455 E CB -0.391 29.273 29.700 -0.060 0.000 0.756 455 E HN 0.666 nan 8.360 nan 0.000 0.491 456 I N -1.224 119.253 120.570 -0.154 0.000 2.628 456 I HA 0.016 4.186 4.170 -0.001 0.000 0.255 456 I C 1.601 177.766 176.117 0.080 0.000 1.119 456 I CA 0.282 61.485 61.300 -0.161 0.000 1.448 456 I CB -0.128 37.560 38.000 -0.519 0.000 1.133 456 I HN 0.098 nan 8.210 nan 0.000 0.438 457 W N 0.946 122.279 121.300 0.054 0.000 2.915 457 W HA 0.252 4.911 4.660 -0.001 0.000 0.276 457 W C 0.831 177.377 176.519 0.046 0.000 1.215 457 W CA -0.420 56.968 57.345 0.072 0.000 1.514 457 W CB -0.472 29.062 29.460 0.122 0.000 1.017 457 W HN -0.040 nan 8.180 nan 0.000 0.598 458 D N 0.000 120.548 120.400 0.246 0.000 6.856 458 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 458 D CA 0.000 54.094 54.000 0.156 0.000 0.868 458 D CB 0.000 40.867 40.800 0.112 0.000 0.688 458 D HN 0.000 nan 8.370 nan 0.000 0.683