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 1p8d_1_B DATA FIRST_RESID 218 DATA SEQUENCE VQLTAAQELM IQQLVAAQLQ CNKRSFSDQP KVTPWPLGAX XXSRDARQQR DATA SEQUENCE FAHFTELAII SVQEIVDFAK QVPGFLQLGR EDQIALLKAS TIEIMLLETA DATA SEQUENCE RRYNHETECI TFLKDFTYSK DDFHRAGLQV EFINPIFEFS RAMRRLGLDD DATA SEQUENCE AEYALLIAIN IFSADRPNVQ EPGRVEALQQ PYVEALLSYT RIKRPQDQLR DATA SEQUENCE FPRMLMKLVS LRTLSSVHSE QVFALRLQDK KLPPLLSEIW DV 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 218 V HA 0.000 nan 4.120 nan 0.000 0.244 218 V C 0.000 176.073 176.094 -0.034 0.000 1.182 218 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 218 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 219 Q N 3.401 123.185 119.800 -0.027 0.000 2.364 219 Q HA 0.696 5.036 4.340 -0.000 0.000 0.267 219 Q C 0.157 176.150 176.000 -0.011 0.000 0.999 219 Q CA 0.009 55.800 55.803 -0.020 0.000 0.886 219 Q CB 0.759 29.488 28.738 -0.015 0.000 1.243 219 Q HN 1.410 nan 8.270 nan 0.000 0.415 220 L N 1.986 123.209 121.223 0.001 0.000 2.516 220 L HA 0.158 4.498 4.340 -0.000 0.000 0.288 220 L C 1.522 178.398 176.870 0.010 0.000 1.246 220 L CA 0.419 55.269 54.840 0.017 0.000 0.844 220 L CB 0.671 42.758 42.059 0.046 0.000 1.106 220 L HN 1.065 nan 8.230 nan 0.000 0.509 221 T N -0.858 113.701 114.554 0.008 0.000 2.810 221 T HA 0.410 4.760 4.350 -0.000 0.000 0.277 221 T C 0.965 175.670 174.700 0.009 0.000 0.973 221 T CA -0.220 61.881 62.100 0.002 0.000 0.949 221 T CB 1.406 70.270 68.868 -0.006 0.000 1.075 221 T HN 0.625 nan 8.240 nan 0.000 0.537 222 A N 0.485 123.308 122.820 0.006 0.000 1.897 222 A HA 0.286 4.606 4.320 -0.000 0.000 0.215 222 A C 2.653 180.243 177.584 0.009 0.000 1.181 222 A CA 1.579 53.622 52.037 0.010 0.000 0.620 222 A CB -1.570 17.434 19.000 0.006 0.000 0.821 222 A HN 1.222 nan 8.150 nan 0.000 0.443 223 A N -0.505 122.315 122.820 0.000 0.000 1.908 223 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 223 A C 2.121 179.702 177.584 -0.004 0.000 1.181 223 A CA 1.754 53.787 52.037 -0.006 0.000 0.627 223 A CB -0.580 18.409 19.000 -0.019 0.000 0.818 223 A HN 0.659 nan 8.150 nan 0.000 0.445 224 Q N -1.175 118.625 119.800 -0.000 0.000 2.172 224 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 224 Q C 2.065 178.088 176.000 0.039 0.000 0.964 224 Q CA 1.309 57.118 55.803 0.010 0.000 0.855 224 Q CB -0.075 28.671 28.738 0.014 0.000 0.918 224 Q HN 0.843 nan 8.270 nan 0.000 0.444 225 E N 0.334 120.560 120.200 0.043 0.000 2.072 225 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 225 E C 1.909 178.541 176.600 0.052 0.000 0.985 225 E CA 0.417 56.852 56.400 0.058 0.000 0.801 225 E CB 0.164 29.895 29.700 0.051 0.000 0.750 225 E HN 0.167 nan 8.360 nan 0.000 0.452 226 L N 1.189 122.434 121.223 0.038 0.000 1.989 226 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 226 L C 2.445 179.342 176.870 0.046 0.000 1.071 226 L CA 1.812 56.675 54.840 0.037 0.000 0.749 226 L CB -1.121 40.953 42.059 0.025 0.000 0.890 226 L HN 0.428 nan 8.230 nan 0.000 0.431 227 M N -0.683 118.942 119.600 0.042 0.000 2.082 227 M HA -0.274 4.205 4.480 -0.000 0.000 0.258 227 M C 2.297 178.654 176.300 0.096 0.000 1.069 227 M CA 2.015 57.351 55.300 0.060 0.000 1.102 227 M CB -0.425 32.191 32.600 0.026 0.000 1.336 227 M HN 0.220 nan 8.290 nan 0.000 0.404 228 I N -0.324 120.295 120.570 0.081 0.000 2.202 228 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 228 I C 2.633 178.794 176.117 0.074 0.000 1.091 228 I CA 1.412 62.757 61.300 0.075 0.000 1.368 228 I CB -0.687 37.339 38.000 0.044 0.000 1.058 228 I HN 0.475 nan 8.210 nan 0.000 0.410 229 Q N 0.751 120.593 119.800 0.070 0.000 2.096 229 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 229 Q C 2.236 178.280 176.000 0.073 0.000 0.982 229 Q CA 1.787 57.630 55.803 0.067 0.000 0.850 229 Q CB 0.037 28.811 28.738 0.060 0.000 0.901 229 Q HN 0.592 nan 8.270 nan 0.000 0.422 230 Q N -0.113 119.733 119.800 0.076 0.000 2.083 230 Q HA -0.095 4.244 4.340 -0.000 0.000 0.198 230 Q C 2.268 178.335 176.000 0.111 0.000 0.969 230 Q CA 0.911 56.761 55.803 0.079 0.000 0.838 230 Q CB -0.012 28.765 28.738 0.065 0.000 0.900 230 Q HN 0.387 nan 8.270 nan 0.000 0.436 231 L N 0.195 121.504 121.223 0.143 0.000 2.042 231 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 231 L C 2.334 179.364 176.870 0.268 0.000 1.076 231 L CA 0.980 55.959 54.840 0.232 0.000 0.749 231 L CB -0.390 41.821 42.059 0.254 0.000 0.893 231 L HN 0.145 nan 8.230 nan 0.000 0.432 232 V N -0.124 119.881 119.914 0.153 0.000 2.343 232 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 232 V C 2.707 178.864 176.094 0.105 0.000 1.051 232 V CA 1.686 64.046 62.300 0.101 0.000 1.036 232 V CB -0.736 31.123 31.823 0.060 0.000 0.654 232 V HN 0.489 nan 8.190 nan 0.000 0.451 233 A N 0.057 122.941 122.820 0.107 0.000 1.902 233 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 233 A C 2.418 180.077 177.584 0.125 0.000 1.181 233 A CA 2.088 54.180 52.037 0.092 0.000 0.623 233 A CB -0.784 18.260 19.000 0.074 0.000 0.818 233 A HN 0.571 nan 8.150 nan 0.000 0.443 234 A N -1.024 121.909 122.820 0.188 0.000 1.972 234 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 234 A C 2.127 179.962 177.584 0.418 0.000 1.169 234 A CA 1.934 54.127 52.037 0.259 0.000 0.635 234 A CB -0.477 18.627 19.000 0.174 0.000 0.810 234 A HN 0.607 nan 8.150 nan 0.000 0.446 235 Q N -1.099 118.919 119.800 0.363 0.000 2.119 235 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 235 Q C 1.842 177.835 176.000 -0.012 0.000 0.972 235 Q CA 1.444 57.223 55.803 -0.040 0.000 0.847 235 Q CB -0.244 28.356 28.738 -0.229 0.000 0.903 235 Q HN 0.491 nan 8.270 nan 0.000 0.433 236 L N 0.041 121.286 121.223 0.037 0.000 2.023 236 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 236 L C 2.167 179.065 176.870 0.047 0.000 1.073 236 L CA 1.776 56.630 54.840 0.024 0.000 0.745 236 L CB -0.694 41.381 42.059 0.026 0.000 0.900 236 L HN 0.254 nan 8.230 nan 0.000 0.435 237 Q N -1.101 118.741 119.800 0.070 0.000 2.061 237 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 237 Q C 2.425 178.469 176.000 0.073 0.000 0.984 237 Q CA 2.077 57.919 55.803 0.066 0.000 0.846 237 Q CB -0.793 27.985 28.738 0.066 0.000 0.902 237 Q HN 0.561 nan 8.270 nan 0.000 0.421 238 C N 0.683 120.047 119.300 0.106 0.000 2.422 238 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 238 C C 2.554 177.599 174.990 0.092 0.000 1.305 238 C CA 0.904 59.986 59.018 0.107 0.000 1.757 238 C CB -1.212 26.641 27.740 0.189 0.000 1.962 238 C HN 0.575 nan 8.230 nan 0.000 0.499 239 N N 1.309 120.056 118.700 0.078 0.000 2.171 239 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 239 N C 1.878 177.480 175.510 0.153 0.000 1.021 239 N CA 2.273 55.387 53.050 0.107 0.000 0.854 239 N CB -0.235 38.256 38.487 0.006 0.000 0.994 239 N HN 0.462 nan 8.380 nan 0.000 0.426 240 K N 0.915 121.368 120.400 0.088 0.000 2.148 240 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 240 K C 2.187 178.826 176.600 0.065 0.000 1.050 240 K CA 1.465 57.799 56.287 0.079 0.000 0.942 240 K CB -0.763 31.768 32.500 0.051 0.000 0.724 240 K HN 0.390 nan 8.250 nan 0.000 0.446 241 R N 0.253 120.780 120.500 0.046 0.000 2.081 241 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 241 R C 2.267 178.533 176.300 -0.056 0.000 1.131 241 R CA 2.097 58.199 56.100 0.003 0.000 0.960 241 R CB -0.166 30.138 30.300 0.005 0.000 0.856 241 R HN 0.435 nan 8.270 nan 0.000 0.436 242 S N -1.074 114.574 115.700 -0.086 0.000 2.478 242 S HA 0.107 4.577 4.470 -0.000 0.000 0.222 242 S C 0.696 174.912 174.600 -0.638 0.000 1.008 242 S CA 0.456 58.437 58.200 -0.364 0.000 0.928 242 S CB 0.242 63.179 63.200 -0.438 0.000 0.781 242 S HN 0.293 nan 8.310 nan 0.000 0.518 243 F N 0.117 120.036 119.950 -0.052 0.000 2.767 243 F HA 0.351 4.878 4.527 -0.000 0.000 0.323 243 F C 2.078 177.862 175.800 -0.027 0.000 1.091 243 F CA -0.265 57.700 58.000 -0.058 0.000 1.192 243 F CB -0.225 38.726 39.000 -0.081 0.000 1.056 243 F HN -0.053 nan 8.300 nan 0.000 0.571 244 S N -0.273 115.501 115.700 0.124 0.000 2.369 244 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 244 S C 0.434 175.081 174.600 0.079 0.000 1.043 244 S CA 1.460 59.712 58.200 0.087 0.000 1.074 244 S CB -0.328 62.902 63.200 0.051 0.000 0.962 244 S HN 0.181 nan 8.310 nan 0.000 0.433 245 D N 1.653 122.079 120.400 0.045 0.000 2.351 245 D HA 0.147 4.787 4.640 -0.000 0.000 0.251 245 D C 0.167 176.505 176.300 0.063 0.000 1.137 245 D CA 0.069 54.094 54.000 0.042 0.000 0.879 245 D CB 0.509 41.314 40.800 0.009 0.000 1.181 245 D HN 0.345 nan 8.370 nan 0.000 0.448 246 Q N 3.093 122.957 119.800 0.107 0.000 2.286 246 Q HA 0.111 4.451 4.340 -0.000 0.000 0.290 246 Q C -2.227 173.846 176.000 0.122 0.000 1.049 246 Q CA -0.989 54.914 55.803 0.168 0.000 0.923 246 Q CB 0.543 29.418 28.738 0.227 0.000 1.183 246 Q HN 0.097 nan 8.270 nan 0.000 0.383 247 P HA -0.000 nan 4.420 nan 0.000 0.268 247 P C -1.225 176.148 177.300 0.122 0.000 1.204 247 P CA 0.120 63.247 63.100 0.045 0.000 0.768 247 P CB 0.511 32.198 31.700 -0.022 0.000 0.842 248 K N 2.667 123.111 120.400 0.073 0.000 2.333 248 K HA 0.293 4.613 4.320 -0.000 0.000 0.241 248 K C -0.370 176.287 176.600 0.095 0.000 1.193 248 K CA -0.295 56.047 56.287 0.091 0.000 1.142 248 K CB -0.092 32.439 32.500 0.052 0.000 1.731 248 K HN 0.206 nan 8.250 nan 0.000 0.344 249 V N 0.466 120.472 119.914 0.153 0.000 2.919 249 V HA 0.240 4.360 4.120 -0.000 0.000 0.316 249 V C 0.523 176.758 176.094 0.234 0.000 1.077 249 V CA -0.996 61.398 62.300 0.157 0.000 0.977 249 V CB 1.987 33.884 31.823 0.123 0.000 1.039 249 V HN 0.450 nan 8.190 nan 0.000 0.441 250 T N 5.565 120.249 114.554 0.217 0.000 2.800 250 T HA 0.067 4.417 4.350 -0.000 0.000 0.283 250 T C -2.232 172.713 174.700 0.408 0.000 0.999 250 T CA 0.015 62.260 62.100 0.241 0.000 1.176 250 T CB 0.061 69.049 68.868 0.201 0.000 0.973 250 T HN 0.519 nan 8.240 nan 0.000 0.519 251 P HA 0.003 nan 4.420 nan 0.000 0.269 251 P C -0.188 177.218 177.300 0.177 0.000 1.215 251 P CA -0.678 62.604 63.100 0.302 0.000 0.780 251 P CB 0.587 32.393 31.700 0.177 0.000 0.898 252 W N 4.973 126.112 121.300 -0.269 0.000 2.356 252 W HA 0.178 4.838 4.660 -0.000 0.000 0.311 252 W C -2.410 174.027 176.519 -0.136 0.000 1.328 252 W CA -1.817 55.287 57.345 -0.402 0.000 1.251 252 W CB 0.161 29.316 29.460 -0.508 0.000 1.280 252 W HN 0.307 nan 8.180 nan 0.000 0.524 253 P HA 0.184 nan 4.420 nan 0.000 0.280 253 P C -0.841 176.317 177.300 -0.238 0.000 1.244 253 P CA 0.017 62.946 63.100 -0.285 0.000 0.784 253 P CB 0.979 32.497 31.700 -0.303 0.000 0.913 254 L N 3.041 124.234 121.223 -0.049 0.000 2.283 254 L HA 0.737 5.077 4.340 -0.000 0.000 0.281 254 L C 0.800 177.663 176.870 -0.012 0.000 1.033 254 L CA -0.122 54.732 54.840 0.023 0.000 0.848 254 L CB 0.492 42.589 42.059 0.062 0.000 1.226 254 L HN 0.711 nan 8.230 nan 0.000 0.429 255 G N 1.838 110.624 108.800 -0.023 0.000 2.362 255 G HA2 0.306 4.266 3.960 -0.000 0.000 0.656 255 G HA3 0.306 4.266 3.960 -0.000 0.000 0.656 255 G C -1.230 173.639 174.900 -0.052 0.000 1.376 255 G CA -0.321 44.764 45.100 -0.025 0.000 0.971 255 G HN 0.734 nan 8.290 nan 0.000 0.636 261 R N 0.674 121.146 120.500 -0.047 0.000 2.119 261 R HA 0.138 4.478 4.340 -0.000 0.000 0.222 261 R C 0.673 176.940 176.300 -0.055 0.000 1.088 261 R CA 2.182 58.252 56.100 -0.050 0.000 0.984 261 R CB -0.721 29.553 30.300 -0.042 0.000 0.884 261 R HN 0.545 nan 8.270 nan 0.000 0.447 262 D N 0.902 121.272 120.400 -0.050 0.000 2.224 262 D HA -0.009 4.631 4.640 -0.000 0.000 0.205 262 D C 1.707 177.966 176.300 -0.067 0.000 0.965 262 D CA 1.410 55.382 54.000 -0.047 0.000 0.852 262 D CB 0.050 40.827 40.800 -0.037 0.000 0.947 262 D HN 0.454 nan 8.370 nan 0.000 0.494 263 A N 0.191 122.957 122.820 -0.091 0.000 1.968 263 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 263 A C 2.118 179.592 177.584 -0.183 0.000 1.169 263 A CA 0.758 52.707 52.037 -0.147 0.000 0.638 263 A CB -0.231 18.678 19.000 -0.151 0.000 0.812 263 A HN 0.035 nan 8.150 nan 0.000 0.446 264 R N -0.960 119.464 120.500 -0.126 0.000 2.066 264 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 264 R C 2.412 178.675 176.300 -0.061 0.000 1.131 264 R CA 1.813 57.846 56.100 -0.111 0.000 0.955 264 R CB -0.226 30.028 30.300 -0.077 0.000 0.851 264 R HN 0.525 nan 8.270 nan 0.000 0.432 265 Q N 0.669 120.445 119.800 -0.040 0.000 2.135 265 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 265 Q C 1.880 177.931 176.000 0.085 0.000 0.981 265 Q CA 1.718 57.542 55.803 0.034 0.000 0.856 265 Q CB -0.054 28.688 28.738 0.005 0.000 0.902 265 Q HN 0.342 nan 8.270 nan 0.000 0.425 266 Q N -0.747 119.041 119.800 -0.019 0.000 2.016 266 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 266 Q C 2.048 178.010 176.000 -0.064 0.000 0.978 266 Q CA 1.189 56.973 55.803 -0.031 0.000 0.833 266 Q CB 0.039 28.716 28.738 -0.101 0.000 0.895 266 Q HN 0.362 nan 8.270 nan 0.000 0.427 267 R N -0.335 119.998 120.500 -0.279 0.000 2.091 267 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 267 R C 2.174 178.393 176.300 -0.135 0.000 1.136 267 R CA 1.433 57.233 56.100 -0.499 0.000 0.959 267 R CB -0.705 29.033 30.300 -0.938 0.000 0.856 267 R HN 0.291 nan 8.270 nan 0.000 0.437 268 F N 1.777 121.626 119.950 -0.168 0.000 2.126 268 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 268 F C 2.435 178.285 175.800 0.083 0.000 1.096 268 F CA 1.496 59.469 58.000 -0.046 0.000 1.255 268 F CB -0.197 38.786 39.000 -0.028 0.000 0.997 268 F HN 0.018 nan 8.300 nan 0.000 0.479 269 A N -0.525 122.361 122.820 0.110 0.000 1.877 269 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 269 A C 1.986 179.628 177.584 0.096 0.000 1.186 269 A CA 1.968 54.043 52.037 0.064 0.000 0.620 269 A CB -1.474 17.608 19.000 0.136 0.000 0.822 269 A HN 0.644 nan 8.150 nan 0.000 0.443 270 H N -1.316 117.818 119.070 0.107 0.000 2.265 270 H HA -0.211 4.345 4.556 -0.000 0.000 0.293 270 H C 1.712 177.237 175.328 0.328 0.000 1.089 270 H CA 2.617 58.827 56.048 0.269 0.000 1.244 270 H CB -0.381 29.649 29.762 0.448 0.000 1.355 270 H HN 0.391 nan 8.280 nan 0.000 0.485 271 F N 0.659 120.655 119.950 0.076 0.000 2.046 271 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 271 F C 3.008 178.681 175.800 -0.211 0.000 1.123 271 F CA 1.908 59.840 58.000 -0.113 0.000 1.199 271 F CB -1.456 37.458 39.000 -0.144 0.000 0.972 271 F HN 0.424 nan 8.300 nan 0.000 0.474 272 T N -1.572 112.920 114.554 -0.104 0.000 2.665 272 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 272 T C 1.704 176.354 174.700 -0.083 0.000 1.035 272 T CA 1.778 63.778 62.100 -0.166 0.000 1.151 272 T CB -0.873 67.787 68.868 -0.347 0.000 0.862 272 T HN 0.365 nan 8.240 nan 0.000 0.438 273 E N 1.127 121.293 120.200 -0.057 0.000 2.209 273 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 273 E C 2.233 178.792 176.600 -0.068 0.000 0.993 273 E CA 0.947 57.322 56.400 -0.042 0.000 0.819 273 E CB -0.384 29.317 29.700 0.001 0.000 0.745 273 E HN 0.512 nan 8.360 nan 0.000 0.477 274 L N 0.363 121.531 121.223 -0.093 0.000 2.068 274 L HA -0.079 4.260 4.340 -0.000 0.000 0.204 274 L C 2.650 179.459 176.870 -0.101 0.000 1.076 274 L CA 0.712 55.489 54.840 -0.106 0.000 0.753 274 L CB -0.545 41.404 42.059 -0.184 0.000 0.910 274 L HN 0.125 nan 8.230 nan 0.000 0.439 275 A N 0.840 123.578 122.820 -0.137 0.000 1.915 275 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 275 A C 2.200 179.736 177.584 -0.081 0.000 1.198 275 A CA 2.206 54.187 52.037 -0.093 0.000 0.647 275 A CB -0.971 18.033 19.000 0.006 0.000 0.825 275 A HN 0.395 nan 8.150 nan 0.000 0.456 276 I N -0.383 120.130 120.570 -0.094 0.000 2.163 276 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 276 I C 2.353 178.399 176.117 -0.119 0.000 1.085 276 I CA 1.715 62.946 61.300 -0.116 0.000 1.347 276 I CB -0.416 37.522 38.000 -0.104 0.000 1.044 276 I HN 0.359 nan 8.210 nan 0.000 0.408 277 I N -0.107 120.386 120.570 -0.127 0.000 2.286 277 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 277 I C 2.783 178.839 176.117 -0.101 0.000 1.115 277 I CA 1.387 62.553 61.300 -0.225 0.000 1.392 277 I CB -0.483 37.256 38.000 -0.435 0.000 1.065 277 I HN 0.249 nan 8.210 nan 0.000 0.418 278 S N 0.742 116.475 115.700 0.056 0.000 2.370 278 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 278 S C 2.100 176.693 174.600 -0.011 0.000 1.033 278 S CA 1.398 59.653 58.200 0.093 0.000 1.011 278 S CB -0.245 62.949 63.200 -0.011 0.000 0.852 278 S HN 0.246 nan 8.310 nan 0.000 0.457 279 V N 1.746 121.618 119.914 -0.071 0.000 2.407 279 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 279 V C 2.584 178.628 176.094 -0.083 0.000 1.055 279 V CA 2.057 64.296 62.300 -0.102 0.000 1.049 279 V CB -0.835 30.887 31.823 -0.170 0.000 0.662 279 V HN 0.570 nan 8.190 nan 0.000 0.455 280 Q N -0.379 119.368 119.800 -0.089 0.000 2.167 280 Q HA -0.244 4.095 4.340 -0.000 0.000 0.202 280 Q C 2.308 178.277 176.000 -0.052 0.000 0.970 280 Q CA 1.739 57.491 55.803 -0.085 0.000 0.855 280 Q CB -0.134 28.530 28.738 -0.123 0.000 0.911 280 Q HN 0.750 nan 8.270 nan 0.000 0.438 281 E N 0.993 121.180 120.200 -0.021 0.000 2.028 281 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 281 E C 1.948 178.567 176.600 0.032 0.000 0.988 281 E CA 0.696 57.117 56.400 0.035 0.000 0.799 281 E CB -0.005 29.774 29.700 0.131 0.000 0.755 281 E HN 0.292 nan 8.360 nan 0.000 0.447 282 I N 0.658 121.225 120.570 -0.005 0.000 2.069 282 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 282 I C 2.476 178.571 176.117 -0.036 0.000 1.053 282 I CA 1.141 62.428 61.300 -0.022 0.000 1.311 282 I CB -0.345 37.620 38.000 -0.057 0.000 1.030 282 I HN 0.097 nan 8.210 nan 0.000 0.398 283 V N 0.788 120.666 119.914 -0.059 0.000 2.380 283 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 283 V C 2.127 178.191 176.094 -0.050 0.000 1.063 283 V CA 2.396 64.654 62.300 -0.069 0.000 1.055 283 V CB -0.728 31.068 31.823 -0.046 0.000 0.657 283 V HN 0.489 nan 8.190 nan 0.000 0.455 284 D N -1.097 119.296 120.400 -0.012 0.000 2.178 284 D HA -0.174 4.466 4.640 -0.000 0.000 0.202 284 D C 1.799 178.114 176.300 0.024 0.000 0.974 284 D CA 0.974 54.979 54.000 0.009 0.000 0.841 284 D CB -0.090 40.723 40.800 0.021 0.000 0.953 284 D HN 0.429 nan 8.370 nan 0.000 0.478 285 F N 0.501 120.383 119.950 -0.113 0.000 2.270 285 F HA 0.194 4.721 4.527 -0.000 0.000 0.295 285 F C 2.092 177.771 175.800 -0.202 0.000 1.087 285 F CA 1.063 58.987 58.000 -0.126 0.000 1.365 285 F CB -0.467 38.455 39.000 -0.130 0.000 1.056 285 F HN -0.022 nan 8.300 nan 0.000 0.506 286 A N 0.795 123.415 122.820 -0.335 0.000 1.873 286 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 286 A C 2.251 179.554 177.584 -0.468 0.000 1.193 286 A CA 1.992 53.575 52.037 -0.756 0.000 0.629 286 A CB -0.873 17.366 19.000 -1.268 0.000 0.826 286 A HN 0.392 nan 8.150 nan 0.000 0.447 287 K N -0.580 119.721 120.400 -0.164 0.000 2.293 287 K HA -0.193 4.126 4.320 -0.000 0.000 0.204 287 K C 1.690 178.278 176.600 -0.022 0.000 1.045 287 K CA 1.535 57.859 56.287 0.063 0.000 0.933 287 K CB -0.128 32.397 32.500 0.041 0.000 0.736 287 K HN 0.639 nan 8.250 nan 0.000 0.463 288 Q N 0.014 119.688 119.800 -0.210 0.000 2.319 288 Q HA 0.075 4.415 4.340 -0.000 0.000 0.209 288 Q C -0.104 175.726 176.000 -0.284 0.000 0.884 288 Q CA 0.100 55.757 55.803 -0.243 0.000 0.938 288 Q CB 0.933 29.485 28.738 -0.309 0.000 1.098 288 Q HN 0.007 nan 8.270 nan 0.000 0.517 289 V N 4.234 123.954 119.914 -0.324 0.000 2.427 289 V HA 0.133 4.253 4.120 -0.000 0.000 0.268 289 V C -2.160 174.043 176.094 0.181 0.000 1.046 289 V CA -1.490 60.721 62.300 -0.149 0.000 0.970 289 V CB 0.415 32.086 31.823 -0.253 0.000 1.001 289 V HN 0.051 nan 8.190 nan 0.000 0.476 290 P HA 0.116 nan 4.420 nan 0.000 0.259 290 P C 1.068 178.557 177.300 0.315 0.000 1.163 290 P CA 1.690 64.926 63.100 0.227 0.000 0.760 290 P CB 0.378 32.183 31.700 0.176 0.000 0.762 291 G N 2.703 111.633 108.800 0.215 0.000 2.358 291 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.224 291 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.224 291 G C 0.938 176.011 174.900 0.289 0.000 1.073 291 G CA 0.211 45.410 45.100 0.167 0.000 0.635 291 G HN 0.481 nan 8.290 nan 0.000 0.509 292 F N 1.778 121.951 119.950 0.371 0.000 2.091 292 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 292 F C 2.376 178.264 175.800 0.147 0.000 1.103 292 F CA 2.355 60.547 58.000 0.320 0.000 1.228 292 F CB -0.275 38.801 39.000 0.127 0.000 0.984 292 F HN 0.204 nan 8.300 nan 0.000 0.477 293 L N -0.067 121.199 121.223 0.072 0.000 2.622 293 L HA -0.093 4.247 4.340 -0.000 0.000 0.233 293 L C 1.795 178.620 176.870 -0.075 0.000 1.156 293 L CA 0.451 55.257 54.840 -0.057 0.000 0.866 293 L CB -0.595 41.488 42.059 0.040 0.000 0.980 293 L HN 0.298 nan 8.230 nan 0.000 0.448 294 Q N -0.442 119.324 119.800 -0.056 0.000 2.398 294 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 294 Q C 0.496 176.447 176.000 -0.082 0.000 0.932 294 Q CA 0.205 55.978 55.803 -0.050 0.000 0.916 294 Q CB 0.408 29.131 28.738 -0.025 0.000 1.024 294 Q HN 0.473 nan 8.270 nan 0.000 0.504 295 L N 0.221 121.360 121.223 -0.140 0.000 2.456 295 L HA 0.288 4.627 4.340 -0.000 0.000 0.257 295 L C 0.838 177.618 176.870 -0.150 0.000 1.162 295 L CA -0.712 54.043 54.840 -0.141 0.000 0.808 295 L CB 0.344 42.300 42.059 -0.172 0.000 1.136 295 L HN 0.038 nan 8.230 nan 0.000 0.466 296 G N -0.020 108.718 108.800 -0.102 0.000 2.503 296 G HA2 0.176 4.136 3.960 -0.000 0.000 0.257 296 G HA3 0.176 4.136 3.960 -0.000 0.000 0.257 296 G C 0.652 175.493 174.900 -0.097 0.000 1.214 296 G CA -0.395 44.656 45.100 -0.082 0.000 0.839 296 G HN 0.648 nan 8.290 nan 0.000 0.559 297 R N 0.005 120.460 120.500 -0.075 0.000 2.153 297 R HA -0.130 4.210 4.340 -0.000 0.000 0.252 297 R C 2.489 178.764 176.300 -0.042 0.000 1.158 297 R CA 1.766 57.829 56.100 -0.061 0.000 0.975 297 R CB -0.068 30.211 30.300 -0.035 0.000 0.871 297 R HN 0.670 nan 8.270 nan 0.000 0.450 298 E N 0.299 120.480 120.200 -0.031 0.000 2.038 298 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 298 E C 1.583 178.178 176.600 -0.008 0.000 1.000 298 E CA 1.428 57.819 56.400 -0.014 0.000 0.803 298 E CB -0.316 29.377 29.700 -0.011 0.000 0.750 298 E HN 0.414 nan 8.360 nan 0.000 0.448 299 D N 0.464 120.850 120.400 -0.023 0.000 2.178 299 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 299 D C 2.024 178.323 176.300 -0.003 0.000 0.980 299 D CA 0.750 54.746 54.000 -0.007 0.000 0.842 299 D CB -0.054 40.734 40.800 -0.019 0.000 0.948 299 D HN 0.254 nan 8.370 nan 0.000 0.472 300 Q N 0.045 119.801 119.800 -0.073 0.000 2.046 300 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 300 Q C 2.426 178.515 176.000 0.149 0.000 0.975 300 Q CA 0.818 56.588 55.803 -0.055 0.000 0.836 300 Q CB 0.092 28.721 28.738 -0.181 0.000 0.896 300 Q HN 0.281 nan 8.270 nan 0.000 0.428 301 I N 0.228 120.840 120.570 0.070 0.000 2.142 301 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 301 I C 2.409 178.566 176.117 0.068 0.000 1.078 301 I CA 0.961 62.300 61.300 0.065 0.000 1.343 301 I CB -0.522 37.495 38.000 0.028 0.000 1.046 301 I HN 0.203 nan 8.210 nan 0.000 0.405 302 A N 1.175 124.028 122.820 0.056 0.000 1.881 302 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 302 A C 2.319 179.951 177.584 0.080 0.000 1.215 302 A CA 1.962 54.034 52.037 0.059 0.000 0.648 302 A CB -1.225 17.805 19.000 0.051 0.000 0.832 302 A HN 0.430 nan 8.150 nan 0.000 0.455 303 L N -0.942 120.349 121.223 0.113 0.000 2.131 303 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 303 L C 2.615 179.537 176.870 0.087 0.000 1.092 303 L CA 0.908 55.824 54.840 0.127 0.000 0.759 303 L CB -0.487 41.703 42.059 0.219 0.000 0.903 303 L HN 0.422 nan 8.230 nan 0.000 0.435 304 L N -0.287 120.996 121.223 0.100 0.000 2.049 304 L HA -0.199 4.141 4.340 -0.000 0.000 0.203 304 L C 2.658 179.544 176.870 0.026 0.000 1.074 304 L CA 1.154 56.011 54.840 0.029 0.000 0.749 304 L CB -0.480 41.600 42.059 0.036 0.000 0.907 304 L HN 0.248 nan 8.230 nan 0.000 0.439 305 K N 0.378 120.800 120.400 0.037 0.000 2.107 305 K HA -0.274 4.046 4.320 -0.000 0.000 0.211 305 K C 1.880 178.544 176.600 0.106 0.000 1.049 305 K CA 2.058 58.371 56.287 0.044 0.000 0.927 305 K CB -0.064 32.463 32.500 0.044 0.000 0.714 305 K HN 0.329 nan 8.250 nan 0.000 0.452 306 A N 0.036 122.910 122.820 0.090 0.000 1.984 306 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 306 A C 1.970 179.600 177.584 0.077 0.000 1.173 306 A CA 1.267 53.363 52.037 0.098 0.000 0.673 306 A CB -0.286 18.756 19.000 0.070 0.000 0.830 306 A HN 0.509 nan 8.150 nan 0.000 0.453 307 S N -1.065 114.660 115.700 0.042 0.000 2.496 307 S HA -0.070 4.399 4.470 -0.000 0.000 0.224 307 S C 1.685 176.291 174.600 0.010 0.000 0.996 307 S CA 1.312 59.515 58.200 0.005 0.000 0.927 307 S CB -0.788 62.388 63.200 -0.039 0.000 0.774 307 S HN 0.403 nan 8.310 nan 0.000 0.524 308 T N 3.143 117.729 114.554 0.053 0.000 2.607 308 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 308 T C 1.598 176.366 174.700 0.112 0.000 1.049 308 T CA 1.795 63.942 62.100 0.077 0.000 1.162 308 T CB -0.593 68.340 68.868 0.109 0.000 0.863 308 T HN 0.403 nan 8.240 nan 0.000 0.424 309 I N 1.380 122.050 120.570 0.166 0.000 2.264 309 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 309 I C 2.254 178.296 176.117 -0.126 0.000 1.111 309 I CA 1.518 62.774 61.300 -0.073 0.000 1.382 309 I CB -0.437 37.287 38.000 -0.461 0.000 1.060 309 I HN 0.321 nan 8.210 nan 0.000 0.418 310 E N 0.187 120.336 120.200 -0.086 0.000 2.072 310 E HA -0.195 4.154 4.350 -0.000 0.000 0.191 310 E C 2.367 178.929 176.600 -0.063 0.000 0.985 310 E CA 1.596 57.934 56.400 -0.102 0.000 0.801 310 E CB -0.202 29.453 29.700 -0.074 0.000 0.750 310 E HN 0.527 nan 8.360 nan 0.000 0.452 311 I N 0.946 121.490 120.570 -0.043 0.000 2.179 311 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 311 I C 2.578 178.666 176.117 -0.048 0.000 1.088 311 I CA 1.153 62.429 61.300 -0.040 0.000 1.357 311 I CB -0.312 37.650 38.000 -0.064 0.000 1.051 311 I HN 0.156 nan 8.210 nan 0.000 0.409 312 M N 0.304 119.868 119.600 -0.060 0.000 2.106 312 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 312 M C 2.339 178.591 176.300 -0.079 0.000 1.068 312 M CA 1.923 57.169 55.300 -0.090 0.000 1.100 312 M CB -0.493 32.058 32.600 -0.082 0.000 1.351 312 M HN 0.241 nan 8.290 nan 0.000 0.404 313 L N -0.215 120.969 121.223 -0.066 0.000 2.141 313 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 313 L C 2.344 179.333 176.870 0.199 0.000 1.094 313 L CA 0.856 55.684 54.840 -0.020 0.000 0.763 313 L CB -0.531 41.408 42.059 -0.200 0.000 0.908 313 L HN 0.327 nan 8.230 nan 0.000 0.437 314 L N -0.708 120.626 121.223 0.185 0.000 2.017 314 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 314 L C 2.774 179.726 176.870 0.137 0.000 1.073 314 L CA 1.107 56.124 54.840 0.295 0.000 0.745 314 L CB -0.451 41.743 42.059 0.225 0.000 0.894 314 L HN 0.244 nan 8.230 nan 0.000 0.432 315 E N -0.386 119.797 120.200 -0.028 0.000 2.051 315 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 315 E C 2.181 178.712 176.600 -0.116 0.000 0.991 315 E CA 1.746 58.048 56.400 -0.163 0.000 0.799 315 E CB -0.503 29.082 29.700 -0.193 0.000 0.748 315 E HN 0.415 nan 8.360 nan 0.000 0.449 316 T N 1.520 116.038 114.554 -0.060 0.000 2.699 316 T HA -0.208 4.141 4.350 -0.000 0.000 0.268 316 T C 1.897 176.588 174.700 -0.015 0.000 1.036 316 T CA 1.807 63.893 62.100 -0.023 0.000 1.147 316 T CB -0.243 68.606 68.868 -0.031 0.000 0.862 316 T HN 0.309 nan 8.240 nan 0.000 0.446 317 A N 1.468 124.297 122.820 0.016 0.000 1.855 317 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 317 A C 2.256 179.853 177.584 0.020 0.000 1.191 317 A CA 1.961 53.984 52.037 -0.025 0.000 0.613 317 A CB -0.642 18.307 19.000 -0.085 0.000 0.829 317 A HN 0.477 nan 8.150 nan 0.000 0.442 318 R N -0.469 119.977 120.500 -0.090 0.000 2.127 318 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 318 R C 1.333 177.533 176.300 -0.166 0.000 1.134 318 R CA 1.362 57.259 56.100 -0.337 0.000 0.975 318 R CB -0.133 29.512 30.300 -1.092 0.000 0.865 318 R HN 0.339 nan 8.270 nan 0.000 0.447 319 R N -0.227 120.215 120.500 -0.096 0.000 2.391 319 R HA 0.000 4.340 4.340 -0.000 0.000 0.249 319 R C -0.612 175.713 176.300 0.042 0.000 0.957 319 R CA -0.109 55.969 56.100 -0.037 0.000 1.093 319 R CB 0.065 30.354 30.300 -0.017 0.000 1.156 319 R HN 0.235 nan 8.270 nan 0.000 0.526 320 Y N 2.035 122.295 120.300 -0.067 0.000 2.313 320 Y HA 0.167 4.717 4.550 -0.000 0.000 0.332 320 Y C -0.164 175.728 175.900 -0.014 0.000 1.071 320 Y CA -1.277 56.789 58.100 -0.056 0.000 1.169 320 Y CB 0.656 39.055 38.460 -0.101 0.000 1.192 320 Y HN 0.034 nan 8.280 nan 0.000 0.487 321 N N 3.723 121.996 118.700 -0.711 0.000 2.372 321 N HA 0.124 4.864 4.740 -0.000 0.000 0.291 321 N C 0.205 175.253 175.510 -0.770 0.000 1.024 321 N CA -0.482 52.262 53.050 -0.509 0.000 0.873 321 N CB 0.847 39.179 38.487 -0.258 0.000 1.206 321 N HN 0.850 nan 8.380 nan 0.000 0.486 322 H N 2.412 121.222 119.070 -0.434 0.000 2.428 322 H HA -0.081 4.475 4.556 -0.000 0.000 0.296 322 H C 0.721 175.971 175.328 -0.129 0.000 1.062 322 H CA 1.951 57.875 56.048 -0.206 0.000 1.350 322 H CB 0.571 30.338 29.762 0.008 0.000 1.403 322 H HN 0.866 nan 8.280 nan 0.000 0.533 323 E N 0.003 120.159 120.200 -0.074 0.000 2.047 323 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 323 E C 2.134 178.652 176.600 -0.137 0.000 0.987 323 E CA 1.730 58.084 56.400 -0.077 0.000 0.799 323 E CB -0.438 29.246 29.700 -0.026 0.000 0.752 323 E HN 0.398 nan 8.360 nan 0.000 0.449 324 T N -2.113 112.348 114.554 -0.155 0.000 3.067 324 T HA 0.044 4.394 4.350 -0.000 0.000 0.257 324 T C 0.755 175.373 174.700 -0.137 0.000 1.105 324 T CA 0.632 62.653 62.100 -0.131 0.000 1.104 324 T CB -0.194 68.602 68.868 -0.121 0.000 0.925 324 T HN 0.347 nan 8.240 nan 0.000 0.498 325 E N -0.566 119.497 120.200 -0.228 0.000 3.286 325 E HA -0.159 4.191 4.350 -0.000 0.000 0.292 325 E C -0.614 176.021 176.600 0.060 0.000 0.928 325 E CA 0.233 56.557 56.400 -0.126 0.000 0.982 325 E CB -2.136 27.567 29.700 0.005 0.000 1.500 325 E HN 0.641 nan 8.360 nan 0.000 0.441 326 C N 0.006 119.256 119.300 -0.082 0.000 2.358 326 C HA 0.638 5.098 4.460 -0.000 0.000 0.354 326 C C 0.652 175.664 174.990 0.036 0.000 1.183 326 C CA -0.619 58.438 59.018 0.064 0.000 2.150 326 C CB 0.598 28.325 27.740 -0.023 0.000 2.361 326 C HN 0.231 nan 8.230 nan 0.000 0.535 327 I N 2.064 122.739 120.570 0.175 0.000 2.330 327 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 327 I C 0.463 176.619 176.117 0.065 0.000 1.001 327 I CA 0.358 61.758 61.300 0.167 0.000 1.193 327 I CB 1.388 39.558 38.000 0.283 0.000 1.345 327 I HN 0.707 nan 8.210 nan 0.000 0.461 328 T N 5.393 119.956 114.554 0.015 0.000 2.781 328 T HA 0.278 4.628 4.350 -0.000 0.000 0.305 328 T C 1.136 175.904 174.700 0.113 0.000 1.001 328 T CA -0.399 61.672 62.100 -0.047 0.000 0.950 328 T CB 0.214 69.038 68.868 -0.073 0.000 0.955 328 T HN 0.263 nan 8.240 nan 0.000 0.471 329 F N 4.028 124.009 119.950 0.053 0.000 2.007 329 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 329 F C 1.341 176.994 175.800 -0.244 0.000 1.197 329 F CA 0.893 58.824 58.000 -0.116 0.000 1.195 329 F CB -1.174 37.760 39.000 -0.109 0.000 0.951 329 F HN 0.626 nan 8.300 nan 0.000 0.512 330 L N -2.329 118.901 121.223 0.012 0.000 2.260 330 L HA 0.587 4.927 4.340 -0.000 0.000 0.265 330 L C -0.315 176.609 176.870 0.090 0.000 1.015 330 L CA -1.235 53.546 54.840 -0.099 0.000 0.826 330 L CB 1.021 42.943 42.059 -0.228 0.000 1.373 330 L HN -0.206 nan 8.230 nan 0.000 0.450 331 K N 0.410 120.869 120.400 0.099 0.000 2.268 331 K HA 0.324 4.644 4.320 -0.000 0.000 0.276 331 K C -1.075 175.678 176.600 0.254 0.000 1.080 331 K CA 0.056 56.429 56.287 0.143 0.000 0.910 331 K CB 0.270 32.801 32.500 0.051 0.000 1.163 331 K HN 0.770 nan 8.250 nan 0.000 0.465 332 D N 2.363 122.945 120.400 0.303 0.000 4.213 332 D HA -0.062 4.578 4.640 -0.000 0.000 0.267 332 D C -0.840 175.337 176.300 -0.206 0.000 0.455 332 D CA 0.052 54.067 54.000 0.025 0.000 0.695 332 D CB -0.233 40.528 40.800 -0.065 0.000 1.627 332 D HN 0.313 nan 8.370 nan 0.000 0.123 333 F N 2.056 121.942 119.950 -0.106 0.000 2.361 333 F HA 0.508 5.035 4.527 -0.000 0.000 0.364 333 F C 0.626 176.075 175.800 -0.585 0.000 1.120 333 F CA -0.148 57.705 58.000 -0.245 0.000 1.102 333 F CB 1.670 40.749 39.000 0.131 0.000 1.183 333 F HN -0.439 nan 8.300 nan 0.000 0.476 334 T N 2.004 116.041 114.554 -0.861 0.000 2.916 334 T HA 0.637 4.986 4.350 -0.000 0.000 0.292 334 T C -1.321 172.533 174.700 -1.409 0.000 1.055 334 T CA -0.882 60.713 62.100 -0.842 0.000 1.009 334 T CB 1.629 70.247 68.868 -0.415 0.000 1.118 334 T HN 0.309 nan 8.240 nan 0.000 0.497 335 Y N 0.010 120.154 120.300 -0.260 0.000 2.571 335 Y HA 0.562 5.112 4.550 -0.000 0.000 0.341 335 Y C 0.382 176.370 175.900 0.148 0.000 1.076 335 Y CA -1.217 56.840 58.100 -0.071 0.000 1.029 335 Y CB 1.750 40.239 38.460 0.049 0.000 1.308 335 Y HN 0.750 nan 8.280 nan 0.000 0.461 336 S N 0.595 116.475 115.700 0.300 0.000 2.722 336 S HA 0.373 4.843 4.470 -0.000 0.000 0.292 336 S C 0.886 175.541 174.600 0.091 0.000 1.135 336 S CA -0.850 57.455 58.200 0.176 0.000 1.003 336 S CB 1.879 65.129 63.200 0.084 0.000 1.067 336 S HN 0.831 nan 8.310 nan 0.000 0.546 337 K N 0.159 120.300 120.400 -0.433 0.000 2.103 337 K HA -0.191 4.128 4.320 -0.000 0.000 0.207 337 K C 1.398 177.967 176.600 -0.052 0.000 1.048 337 K CA 1.889 57.620 56.287 -0.927 0.000 0.930 337 K CB -0.512 31.315 32.500 -1.123 0.000 0.716 337 K HN 0.772 nan 8.250 nan 0.000 0.444 338 D N 1.004 121.452 120.400 0.079 0.000 2.104 338 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 338 D C 1.447 177.983 176.300 0.393 0.000 0.994 338 D CA 1.419 55.560 54.000 0.235 0.000 0.830 338 D CB -0.030 40.836 40.800 0.111 0.000 0.959 338 D HN 0.168 nan 8.370 nan 0.000 0.452 339 D N -0.748 119.924 120.400 0.453 0.000 2.158 339 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 339 D C 2.060 178.783 176.300 0.705 0.000 0.995 339 D CA 0.713 55.101 54.000 0.645 0.000 0.846 339 D CB -0.366 40.801 40.800 0.612 0.000 0.941 339 D HN 0.382 nan 8.370 nan 0.000 0.456 340 F N 0.513 120.704 119.950 0.403 0.000 2.075 340 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 340 F C 2.587 178.519 175.800 0.219 0.000 1.113 340 F CA 0.973 59.194 58.000 0.368 0.000 1.218 340 F CB -0.420 38.782 39.000 0.336 0.000 0.984 340 F HN 0.047 nan 8.300 nan 0.000 0.472 341 H N -0.211 119.079 119.070 0.367 0.000 2.289 341 H HA -0.203 4.353 4.556 -0.000 0.000 0.294 341 H C 2.212 177.634 175.328 0.156 0.000 1.095 341 H CA 2.109 58.286 56.048 0.215 0.000 1.256 341 H CB -0.274 29.572 29.762 0.139 0.000 1.359 341 H HN 0.076 nan 8.280 nan 0.000 0.487 342 R N -0.078 120.596 120.500 0.291 0.000 2.152 342 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 342 R C 2.058 178.366 176.300 0.012 0.000 1.117 342 R CA 0.869 57.046 56.100 0.128 0.000 0.981 342 R CB -0.005 30.369 30.300 0.122 0.000 0.870 342 R HN 0.287 nan 8.270 nan 0.000 0.451 343 A N -0.095 122.731 122.820 0.011 0.000 2.259 343 A HA 0.230 4.549 4.320 -0.000 0.000 0.208 343 A C 1.391 179.035 177.584 0.100 0.000 1.201 343 A CA 0.740 52.708 52.037 -0.115 0.000 0.824 343 A CB -0.220 18.447 19.000 -0.554 0.000 0.838 343 A HN 0.456 nan 8.150 nan 0.000 0.485 344 G N -1.295 107.568 108.800 0.105 0.000 2.195 344 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 344 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 344 G C 0.210 175.204 174.900 0.157 0.000 0.984 344 G CA 0.174 45.336 45.100 0.103 0.000 0.633 344 G HN 0.455 nan 8.290 nan 0.000 0.525 345 L N 0.771 122.130 121.223 0.227 0.000 2.467 345 L HA 0.313 4.653 4.340 -0.000 0.000 0.270 345 L C 1.230 178.207 176.870 0.177 0.000 1.205 345 L CA -0.180 54.827 54.840 0.277 0.000 0.828 345 L CB 0.274 42.577 42.059 0.407 0.000 1.101 345 L HN 0.294 nan 8.230 nan 0.000 0.479 346 Q N 0.456 120.375 119.800 0.198 0.000 2.368 346 Q HA 0.078 4.418 4.340 -0.000 0.000 0.237 346 Q C 0.838 176.890 176.000 0.085 0.000 0.987 346 Q CA -0.461 55.426 55.803 0.141 0.000 0.896 346 Q CB 1.691 30.519 28.738 0.149 0.000 1.241 346 Q HN 0.484 nan 8.270 nan 0.000 0.485 347 V N 1.551 121.515 119.914 0.083 0.000 2.719 347 V HA -0.174 3.946 4.120 -0.000 0.000 0.252 347 V C 1.564 177.718 176.094 0.099 0.000 1.065 347 V CA 1.634 63.977 62.300 0.072 0.000 1.086 347 V CB -0.315 31.630 31.823 0.203 0.000 0.700 347 V HN 0.747 nan 8.190 nan 0.000 0.467 348 E N -0.982 119.296 120.200 0.130 0.000 2.418 348 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 348 E C 1.840 178.568 176.600 0.214 0.000 1.026 348 E CA 0.922 57.406 56.400 0.139 0.000 0.862 348 E CB -0.124 29.644 29.700 0.114 0.000 0.799 348 E HN 0.662 nan 8.360 nan 0.000 0.518 349 F N 1.385 121.366 119.950 0.053 0.000 2.399 349 F HA 0.225 4.752 4.527 -0.000 0.000 0.282 349 F C 1.974 177.836 175.800 0.104 0.000 1.027 349 F CA -0.328 57.716 58.000 0.073 0.000 1.333 349 F CB -0.435 38.620 39.000 0.091 0.000 1.132 349 F HN -0.209 nan 8.300 nan 0.000 0.590 350 I N 1.147 121.721 120.570 0.007 0.000 2.068 350 I HA -0.457 3.713 4.170 -0.000 0.000 0.238 350 I C 2.157 178.259 176.117 -0.024 0.000 1.046 350 I CA 1.839 63.091 61.300 -0.080 0.000 1.306 350 I CB -0.786 37.110 38.000 -0.175 0.000 1.023 350 I HN 0.195 nan 8.210 nan 0.000 0.399 351 N N 0.616 119.316 118.700 0.001 0.000 2.049 351 N HA -0.194 4.546 4.740 -0.000 0.000 0.198 351 N C -0.613 174.937 175.510 0.067 0.000 1.030 351 N CA 1.896 54.972 53.050 0.043 0.000 0.870 351 N CB -2.094 36.426 38.487 0.055 0.000 1.045 351 N HN 0.286 nan 8.380 nan 0.000 0.434 352 P HA -0.099 nan 4.420 nan 0.000 0.216 352 P C 1.785 179.092 177.300 0.011 0.000 1.150 352 P CA 0.865 63.992 63.100 0.046 0.000 0.837 352 P CB -0.118 31.623 31.700 0.069 0.000 0.786 353 I N -4.171 116.353 120.570 -0.078 0.000 2.394 353 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 353 I C 1.748 177.769 176.117 -0.160 0.000 1.136 353 I CA 1.753 62.964 61.300 -0.149 0.000 1.425 353 I CB -1.125 36.680 38.000 -0.325 0.000 1.079 353 I HN -0.235 nan 8.210 nan 0.000 0.425 354 F N 1.021 120.857 119.950 -0.190 0.000 2.558 354 F HA 0.110 4.637 4.527 -0.000 0.000 0.298 354 F C 2.384 178.066 175.800 -0.196 0.000 1.119 354 F CA 1.043 58.908 58.000 -0.225 0.000 1.451 354 F CB -0.321 38.558 39.000 -0.201 0.000 1.091 354 F HN 0.157 nan 8.300 nan 0.000 0.563 355 E N -0.844 119.378 120.200 0.038 0.000 2.190 355 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 355 E C 1.899 178.501 176.600 0.002 0.000 0.978 355 E CA 0.399 56.810 56.400 0.019 0.000 0.839 355 E CB -0.152 29.580 29.700 0.054 0.000 0.787 355 E HN 0.317 nan 8.360 nan 0.000 0.473 356 F N 0.792 120.656 119.950 -0.144 0.000 2.102 356 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 356 F C 2.201 177.883 175.800 -0.196 0.000 1.105 356 F CA 1.366 59.281 58.000 -0.142 0.000 1.239 356 F CB -0.401 38.521 39.000 -0.131 0.000 0.991 356 F HN -0.100 nan 8.300 nan 0.000 0.474 357 S N 0.567 116.077 115.700 -0.318 0.000 2.356 357 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 357 S C 2.073 176.344 174.600 -0.549 0.000 1.032 357 S CA 1.342 59.210 58.200 -0.552 0.000 1.005 357 S CB -0.322 62.358 63.200 -0.867 0.000 0.867 357 S HN 0.373 nan 8.310 nan 0.000 0.449 358 R N 0.971 121.171 120.500 -0.500 0.000 2.083 358 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 358 R C 2.573 178.781 176.300 -0.152 0.000 1.137 358 R CA 1.401 57.360 56.100 -0.235 0.000 0.951 358 R CB -0.572 29.676 30.300 -0.088 0.000 0.851 358 R HN 0.415 nan 8.270 nan 0.000 0.434 359 A N 0.773 123.484 122.820 -0.182 0.000 1.972 359 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 359 A C 2.105 179.546 177.584 -0.239 0.000 1.169 359 A CA 1.222 53.158 52.037 -0.169 0.000 0.635 359 A CB -0.252 18.668 19.000 -0.134 0.000 0.810 359 A HN 0.130 nan 8.150 nan 0.000 0.446 360 M N -0.872 118.500 119.600 -0.379 0.000 2.200 360 M HA -0.055 4.424 4.480 -0.000 0.000 0.265 360 M C 2.184 178.384 176.300 -0.167 0.000 1.066 360 M CA 1.436 56.523 55.300 -0.355 0.000 1.127 360 M CB -1.130 31.187 32.600 -0.472 0.000 1.379 360 M HN 0.588 nan 8.290 nan 0.000 0.420 361 R N 0.529 120.971 120.500 -0.097 0.000 2.120 361 R HA -0.104 4.235 4.340 -0.000 0.000 0.234 361 R C 1.955 178.232 176.300 -0.039 0.000 1.123 361 R CA 1.165 57.264 56.100 -0.003 0.000 0.975 361 R CB -0.107 30.251 30.300 0.097 0.000 0.866 361 R HN 0.288 nan 8.270 nan 0.000 0.446 362 R N 0.114 120.573 120.500 -0.068 0.000 2.341 362 R HA -0.034 4.305 4.340 -0.000 0.000 0.213 362 R C 1.485 177.746 176.300 -0.065 0.000 1.082 362 R CA 0.709 56.770 56.100 -0.066 0.000 1.017 362 R CB 0.089 30.350 30.300 -0.066 0.000 0.860 362 R HN 0.318 nan 8.270 nan 0.000 0.473 363 L N -1.745 119.431 121.223 -0.078 0.000 2.701 363 L HA 0.272 4.612 4.340 -0.000 0.000 0.238 363 L C 0.935 177.775 176.870 -0.051 0.000 1.106 363 L CA 0.027 54.824 54.840 -0.072 0.000 0.898 363 L CB 0.565 42.559 42.059 -0.109 0.000 1.188 363 L HN 0.190 nan 8.230 nan 0.000 0.508 364 G N 2.348 111.125 108.800 -0.039 0.000 2.371 364 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.299 364 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.299 364 G C 0.121 175.024 174.900 0.005 0.000 1.014 364 G CA -0.076 45.022 45.100 -0.003 0.000 1.097 364 G HN 0.211 nan 8.290 nan 0.000 0.512 365 L N 0.667 121.863 121.223 -0.045 0.000 2.410 365 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 365 L C 0.940 177.852 176.870 0.070 0.000 1.152 365 L CA -0.276 54.510 54.840 -0.091 0.000 0.855 365 L CB 0.254 42.037 42.059 -0.459 0.000 1.129 365 L HN 0.564 nan 8.230 nan 0.000 0.463 366 D N 0.595 121.060 120.400 0.107 0.000 2.423 366 D HA 0.055 4.695 4.640 -0.000 0.000 0.255 366 D C 0.551 176.958 176.300 0.178 0.000 1.174 366 D CA -0.677 53.415 54.000 0.153 0.000 1.008 366 D CB 0.747 41.647 40.800 0.167 0.000 1.101 366 D HN 0.400 nan 8.370 nan 0.000 0.516 367 D N -0.284 120.197 120.400 0.135 0.000 2.228 367 D HA -0.207 4.433 4.640 -0.000 0.000 0.203 367 D C 1.661 177.995 176.300 0.055 0.000 0.988 367 D CA 1.623 55.681 54.000 0.096 0.000 0.864 367 D CB -0.042 40.783 40.800 0.040 0.000 0.928 367 D HN 0.547 nan 8.370 nan 0.000 0.469 368 A N 0.996 123.807 122.820 -0.014 0.000 1.984 368 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 368 A C 2.062 179.516 177.584 -0.218 0.000 1.173 368 A CA 0.530 52.478 52.037 -0.148 0.000 0.673 368 A CB -0.087 18.722 19.000 -0.318 0.000 0.830 368 A HN 0.109 nan 8.150 nan 0.000 0.453 369 E N -1.057 119.018 120.200 -0.208 0.000 2.072 369 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 369 E C 1.721 178.256 176.600 -0.109 0.000 0.985 369 E CA 1.325 57.622 56.400 -0.171 0.000 0.801 369 E CB -0.343 29.297 29.700 -0.099 0.000 0.750 369 E HN 0.756 nan 8.360 nan 0.000 0.452 370 Y N 1.220 121.476 120.300 -0.074 0.000 2.049 370 Y HA -0.311 4.239 4.550 -0.000 0.000 0.277 370 Y C 2.641 178.488 175.900 -0.088 0.000 1.143 370 Y CA 1.408 59.461 58.100 -0.078 0.000 1.115 370 Y CB -0.578 37.825 38.460 -0.095 0.000 0.975 370 Y HN 0.045 nan 8.280 nan 0.000 0.487 371 A N 0.384 123.251 122.820 0.079 0.000 1.881 371 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 371 A C 2.271 179.888 177.584 0.055 0.000 1.215 371 A CA 2.339 54.391 52.037 0.024 0.000 0.648 371 A CB -1.361 17.675 19.000 0.060 0.000 0.832 371 A HN 0.515 nan 8.150 nan 0.000 0.455 372 L N -1.631 119.619 121.223 0.046 0.000 2.013 372 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 372 L C 2.648 179.550 176.870 0.054 0.000 1.073 372 L CA 1.582 56.472 54.840 0.083 0.000 0.753 372 L CB -0.635 41.469 42.059 0.075 0.000 0.890 372 L HN 0.448 nan 8.230 nan 0.000 0.432 373 L N -0.029 121.206 121.223 0.019 0.000 2.012 373 L HA -0.252 4.087 4.340 -0.000 0.000 0.210 373 L C 2.369 179.240 176.870 0.001 0.000 1.073 373 L CA 1.750 56.593 54.840 0.005 0.000 0.748 373 L CB -0.315 41.711 42.059 -0.056 0.000 0.891 373 L HN 0.110 nan 8.230 nan 0.000 0.431 374 I N -1.111 119.457 120.570 -0.004 0.000 2.208 374 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 374 I C 2.551 178.614 176.117 -0.090 0.000 1.097 374 I CA 1.180 62.459 61.300 -0.036 0.000 1.363 374 I CB -0.673 37.286 38.000 -0.068 0.000 1.051 374 I HN 0.348 nan 8.210 nan 0.000 0.413 375 A N 1.286 124.034 122.820 -0.119 0.000 1.858 375 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 375 A C 2.307 179.751 177.584 -0.233 0.000 1.190 375 A CA 1.496 53.322 52.037 -0.351 0.000 0.617 375 A CB -0.879 17.688 19.000 -0.723 0.000 0.827 375 A HN 0.335 nan 8.150 nan 0.000 0.443 376 I N 0.272 120.817 120.570 -0.041 0.000 2.113 376 I HA -0.369 3.801 4.170 -0.000 0.000 0.242 376 I C 2.617 178.776 176.117 0.069 0.000 1.064 376 I CA 1.822 63.195 61.300 0.120 0.000 1.320 376 I CB -0.508 37.574 38.000 0.138 0.000 1.028 376 I HN 0.534 nan 8.210 nan 0.000 0.406 377 N N 1.666 120.367 118.700 0.001 0.000 2.061 377 N HA -0.225 4.515 4.740 -0.000 0.000 0.193 377 N C 1.946 177.423 175.510 -0.055 0.000 1.030 377 N CA 1.941 54.983 53.050 -0.014 0.000 0.856 377 N CB -0.191 38.281 38.487 -0.025 0.000 1.023 377 N HN 0.339 nan 8.380 nan 0.000 0.424 378 I N 0.034 120.495 120.570 -0.182 0.000 2.194 378 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 378 I C 0.580 176.558 176.117 -0.231 0.000 1.093 378 I CA 0.899 62.013 61.300 -0.310 0.000 1.355 378 I CB -0.423 37.195 38.000 -0.637 0.000 1.046 378 I HN -0.006 nan 8.210 nan 0.000 0.413 379 F N 1.646 121.624 119.950 0.047 0.000 2.783 379 F HA 0.112 4.639 4.527 -0.000 0.000 0.338 379 F C 0.899 176.745 175.800 0.078 0.000 1.178 379 F CA -0.241 57.813 58.000 0.091 0.000 1.343 379 F CB -0.960 38.109 39.000 0.116 0.000 1.496 379 F HN -0.178 nan 8.300 nan 0.000 0.583 380 S N 1.065 116.876 115.700 0.186 0.000 2.485 380 S HA 0.319 4.788 4.470 -0.000 0.000 0.312 380 S C 1.532 176.208 174.600 0.127 0.000 1.102 380 S CA -0.162 58.117 58.200 0.131 0.000 1.066 380 S CB 0.761 64.009 63.200 0.080 0.000 1.102 380 S HN 0.554 nan 8.310 nan 0.000 0.519 381 A N 2.770 125.666 122.820 0.127 0.000 2.139 381 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 381 A C 1.734 179.362 177.584 0.073 0.000 1.159 381 A CA 1.679 53.775 52.037 0.099 0.000 0.662 381 A CB -0.264 18.785 19.000 0.081 0.000 0.796 381 A HN 0.794 nan 8.150 nan 0.000 0.463 382 D N -1.306 119.133 120.400 0.065 0.000 2.388 382 D HA 0.028 4.668 4.640 -0.000 0.000 0.221 382 D C 0.255 176.583 176.300 0.046 0.000 1.133 382 D CA -0.371 53.658 54.000 0.049 0.000 0.831 382 D CB -0.179 40.645 40.800 0.040 0.000 0.962 382 D HN 0.063 nan 8.370 nan 0.000 0.502 383 R N 1.305 121.838 120.500 0.055 0.000 2.694 383 R HA 0.289 4.629 4.340 -0.000 0.000 0.268 383 R C -2.245 174.082 176.300 0.045 0.000 1.061 383 R CA -1.705 54.426 56.100 0.051 0.000 1.133 383 R CB -0.704 29.633 30.300 0.062 0.000 1.020 383 R HN 0.089 nan 8.270 nan 0.000 0.475 384 P HA 0.032 nan 4.420 nan 0.000 0.264 384 P C -0.636 176.686 177.300 0.036 0.000 1.193 384 P CA 0.337 63.458 63.100 0.035 0.000 0.763 384 P CB 0.228 31.949 31.700 0.035 0.000 0.810 385 N N 0.111 118.829 118.700 0.030 0.000 2.746 385 N HA -0.116 4.624 4.740 -0.000 0.000 0.250 385 N C -1.071 174.457 175.510 0.030 0.000 1.055 385 N CA 0.468 53.534 53.050 0.027 0.000 0.699 385 N CB -1.620 36.881 38.487 0.025 0.000 0.919 385 N HN 0.066 nan 8.380 nan 0.000 0.548 386 V N 0.822 120.756 119.914 0.033 0.000 2.394 386 V HA 0.162 4.282 4.120 -0.000 0.000 0.282 386 V C 1.272 177.382 176.094 0.027 0.000 1.031 386 V CA -0.350 61.972 62.300 0.037 0.000 0.881 386 V CB 1.828 33.681 31.823 0.051 0.000 0.982 386 V HN 0.326 nan 8.190 nan 0.000 0.451 387 Q N 2.225 122.036 119.800 0.019 0.000 2.354 387 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 387 Q C 0.143 176.150 176.000 0.011 0.000 0.933 387 Q CA 0.739 56.549 55.803 0.012 0.000 0.901 387 Q CB 0.514 29.255 28.738 0.005 0.000 1.007 387 Q HN 0.750 nan 8.270 nan 0.000 0.495 388 E N 0.548 120.757 120.200 0.016 0.000 3.898 388 E HA 0.093 4.443 4.350 -0.000 0.000 0.219 388 E C -2.055 174.560 176.600 0.025 0.000 1.207 388 E CA -1.354 55.054 56.400 0.013 0.000 1.240 388 E CB 1.018 30.720 29.700 0.003 0.000 1.239 388 E HN 0.113 nan 8.360 nan 0.000 0.422 389 P HA -0.223 nan 4.420 nan 0.000 0.214 389 P C 1.585 178.905 177.300 0.032 0.000 1.163 389 P CA 1.466 64.590 63.100 0.040 0.000 0.889 389 P CB 0.205 31.927 31.700 0.035 0.000 0.790 390 G N 0.243 109.055 108.800 0.020 0.000 2.505 390 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 390 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 390 G C 1.949 176.851 174.900 0.005 0.000 1.145 390 G CA 1.210 46.317 45.100 0.012 0.000 0.761 390 G HN 0.275 nan 8.290 nan 0.000 0.571 391 R N -0.410 120.090 120.500 0.001 0.000 2.066 391 R HA -0.000 4.340 4.340 -0.000 0.000 0.232 391 R C 2.735 179.024 176.300 -0.018 0.000 1.131 391 R CA 1.400 57.491 56.100 -0.014 0.000 0.955 391 R CB -0.408 29.884 30.300 -0.013 0.000 0.851 391 R HN 0.255 nan 8.270 nan 0.000 0.432 392 V N 1.030 120.959 119.914 0.025 0.000 2.261 392 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 392 V C 2.213 178.335 176.094 0.046 0.000 1.047 392 V CA 2.188 64.529 62.300 0.069 0.000 1.015 392 V CB -0.563 31.352 31.823 0.153 0.000 0.642 392 V HN 0.472 nan 8.190 nan 0.000 0.446 393 E N -0.169 120.063 120.200 0.053 0.000 2.187 393 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 393 E C 2.170 178.779 176.600 0.016 0.000 1.004 393 E CA 1.480 57.911 56.400 0.052 0.000 0.813 393 E CB -0.182 29.544 29.700 0.044 0.000 0.736 393 E HN 0.610 nan 8.360 nan 0.000 0.468 394 A N 0.519 123.326 122.820 -0.022 0.000 1.897 394 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 394 A C 2.130 179.649 177.584 -0.107 0.000 1.181 394 A CA 0.743 52.750 52.037 -0.049 0.000 0.620 394 A CB -0.500 18.468 19.000 -0.053 0.000 0.821 394 A HN 0.254 nan 8.150 nan 0.000 0.443 395 L N -0.591 120.507 121.223 -0.208 0.000 2.079 395 L HA -0.273 4.066 4.340 -0.000 0.000 0.210 395 L C 2.884 179.562 176.870 -0.319 0.000 1.081 395 L CA 1.901 56.473 54.840 -0.446 0.000 0.752 395 L CB -0.475 40.999 42.059 -0.975 0.000 0.896 395 L HN 0.611 nan 8.230 nan 0.000 0.433 396 Q N -0.494 119.250 119.800 -0.094 0.000 2.119 396 Q HA -0.214 4.125 4.340 -0.000 0.000 0.201 396 Q C 2.257 178.383 176.000 0.210 0.000 0.972 396 Q CA 1.086 57.031 55.803 0.237 0.000 0.847 396 Q CB 0.120 29.022 28.738 0.274 0.000 0.903 396 Q HN 0.486 nan 8.270 nan 0.000 0.433 397 Q N 0.069 119.918 119.800 0.082 0.000 2.062 397 Q HA -0.173 4.167 4.340 -0.000 0.000 0.209 397 Q C -0.523 175.487 176.000 0.017 0.000 0.996 397 Q CA 2.003 57.840 55.803 0.056 0.000 0.859 397 Q CB -1.820 26.925 28.738 0.012 0.000 0.920 397 Q HN 0.478 nan 8.270 nan 0.000 0.415 398 P HA -0.171 nan 4.420 nan 0.000 0.216 398 P C 1.058 178.236 177.300 -0.203 0.000 1.150 398 P CA 1.363 64.344 63.100 -0.199 0.000 0.843 398 P CB -0.281 31.208 31.700 -0.352 0.000 0.787 399 Y N -1.301 119.042 120.300 0.071 0.000 2.243 399 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 399 Y C 2.455 178.428 175.900 0.122 0.000 1.124 399 Y CA 0.682 58.849 58.100 0.113 0.000 1.159 399 Y CB -1.402 37.166 38.460 0.180 0.000 1.008 399 Y HN -0.267 nan 8.280 nan 0.000 0.527 400 V N 0.313 120.394 119.914 0.279 0.000 2.407 400 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 400 V C 2.301 178.491 176.094 0.160 0.000 1.055 400 V CA 2.290 64.750 62.300 0.266 0.000 1.049 400 V CB -0.478 31.496 31.823 0.251 0.000 0.662 400 V HN 0.446 nan 8.190 nan 0.000 0.455 401 E N 0.148 120.389 120.200 0.069 0.000 2.106 401 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 401 E C 2.178 178.770 176.600 -0.013 0.000 0.984 401 E CA 1.194 57.585 56.400 -0.015 0.000 0.806 401 E CB -0.230 29.453 29.700 -0.028 0.000 0.750 401 E HN 0.573 nan 8.360 nan 0.000 0.458 402 A N 0.733 123.572 122.820 0.033 0.000 1.969 402 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 402 A C 2.070 179.716 177.584 0.103 0.000 1.169 402 A CA 1.041 53.112 52.037 0.056 0.000 0.635 402 A CB -0.464 18.573 19.000 0.061 0.000 0.810 402 A HN 0.383 nan 8.150 nan 0.000 0.445 403 L N -0.963 120.338 121.223 0.130 0.000 2.044 403 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 403 L C 2.224 179.127 176.870 0.055 0.000 1.075 403 L CA 1.663 56.623 54.840 0.200 0.000 0.747 403 L CB -0.535 41.751 42.059 0.378 0.000 0.903 403 L HN 0.347 nan 8.230 nan 0.000 0.435 404 L N -1.002 120.024 121.223 -0.329 0.000 2.013 404 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 404 L C 2.702 179.385 176.870 -0.312 0.000 1.073 404 L CA 2.298 56.656 54.840 -0.803 0.000 0.753 404 L CB -0.981 40.611 42.059 -0.778 0.000 0.890 404 L HN 0.467 nan 8.230 nan 0.000 0.432 405 S N -2.104 113.514 115.700 -0.136 0.000 2.383 405 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 405 S C 2.085 176.687 174.600 0.004 0.000 1.026 405 S CA 1.120 59.285 58.200 -0.059 0.000 0.981 405 S CB -0.651 62.536 63.200 -0.023 0.000 0.818 405 S HN 0.611 nan 8.310 nan 0.000 0.472 406 Y N 2.633 122.905 120.300 -0.047 0.000 2.089 406 Y HA -0.150 4.400 4.550 -0.000 0.000 0.282 406 Y C 2.873 178.774 175.900 0.003 0.000 1.139 406 Y CA 2.590 60.687 58.100 -0.004 0.000 1.123 406 Y CB -1.070 37.409 38.460 0.031 0.000 0.980 406 Y HN 0.500 nan 8.280 nan 0.000 0.493 407 T N -1.547 113.114 114.554 0.177 0.000 2.849 407 T HA -0.220 4.130 4.350 -0.000 0.000 0.270 407 T C 1.906 176.600 174.700 -0.011 0.000 1.066 407 T CA 1.467 63.635 62.100 0.113 0.000 1.130 407 T CB -0.395 68.620 68.868 0.244 0.000 0.864 407 T HN 0.172 nan 8.240 nan 0.000 0.481 408 R N 1.028 121.498 120.500 -0.050 0.000 2.075 408 R HA 0.257 4.597 4.340 -0.000 0.000 0.232 408 R C 2.271 178.520 176.300 -0.085 0.000 1.126 408 R CA 1.180 57.242 56.100 -0.064 0.000 0.963 408 R CB -0.778 29.474 30.300 -0.080 0.000 0.858 408 R HN 0.559 nan 8.270 nan 0.000 0.435 409 I N -0.020 120.469 120.570 -0.134 0.000 2.500 409 I HA -0.151 4.019 4.170 -0.000 0.000 0.252 409 I C 2.240 178.247 176.117 -0.183 0.000 1.142 409 I CA 0.906 62.113 61.300 -0.156 0.000 1.451 409 I CB -0.141 37.747 38.000 -0.188 0.000 1.093 409 I HN 0.181 nan 8.210 nan 0.000 0.430 410 K N 1.297 121.551 120.400 -0.244 0.000 2.062 410 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 410 K C 0.410 176.954 176.600 -0.093 0.000 1.051 410 K CA 0.988 57.154 56.287 -0.202 0.000 0.941 410 K CB 0.361 32.722 32.500 -0.232 0.000 0.719 410 K HN 0.115 nan 8.250 nan 0.000 0.440 411 R N 0.183 120.646 120.500 -0.061 0.000 2.734 411 R HA 0.173 4.513 4.340 -0.000 0.000 0.268 411 R C -2.559 173.727 176.300 -0.023 0.000 1.785 411 R CA -1.379 54.703 56.100 -0.029 0.000 1.461 411 R CB 1.410 31.706 30.300 -0.007 0.000 1.308 411 R HN 0.074 nan 8.270 nan 0.000 0.586 412 P HA -0.148 nan 4.420 nan 0.000 0.218 412 P C 0.661 177.952 177.300 -0.014 0.000 1.148 412 P CA 1.293 64.377 63.100 -0.027 0.000 0.822 412 P CB 0.408 32.089 31.700 -0.031 0.000 0.784 413 Q N -1.431 118.362 119.800 -0.011 0.000 2.280 413 Q HA 0.069 4.409 4.340 -0.000 0.000 0.202 413 Q C -0.017 175.984 176.000 0.001 0.000 0.903 413 Q CA 0.332 56.132 55.803 -0.005 0.000 0.948 413 Q CB -0.106 28.628 28.738 -0.007 0.000 1.058 413 Q HN 0.087 nan 8.270 nan 0.000 0.493 414 D N 0.175 120.579 120.400 0.006 0.000 2.656 414 D HA 0.014 4.654 4.640 -0.000 0.000 0.303 414 D C -0.027 176.292 176.300 0.032 0.000 1.199 414 D CA -0.175 53.834 54.000 0.016 0.000 0.797 414 D CB 0.350 41.158 40.800 0.013 0.000 1.170 414 D HN 0.178 nan 8.370 nan 0.000 0.509 415 Q N 0.696 120.516 119.800 0.033 0.000 2.491 415 Q HA 0.090 4.430 4.340 -0.000 0.000 0.214 415 Q C 0.582 176.631 176.000 0.081 0.000 0.970 415 Q CA 0.408 56.243 55.803 0.054 0.000 0.960 415 Q CB 0.335 29.095 28.738 0.036 0.000 0.996 415 Q HN 0.411 nan 8.270 nan 0.000 0.524 416 L N -0.325 120.936 121.223 0.064 0.000 2.693 416 L HA 0.215 4.555 4.340 -0.000 0.000 0.235 416 L C 2.258 179.161 176.870 0.055 0.000 1.127 416 L CA 0.020 54.896 54.840 0.060 0.000 0.914 416 L CB -0.052 42.027 42.059 0.033 0.000 1.193 416 L HN 0.300 nan 8.230 nan 0.000 0.502 417 R N 0.711 121.252 120.500 0.069 0.000 2.070 417 R HA -0.231 4.109 4.340 -0.000 0.000 0.232 417 R C 2.325 178.670 176.300 0.074 0.000 1.138 417 R CA 1.848 57.981 56.100 0.055 0.000 0.936 417 R CB -0.443 29.896 30.300 0.065 0.000 0.839 417 R HN 0.130 nan 8.270 nan 0.000 0.429 418 F N 1.848 121.804 119.950 0.010 0.000 2.087 418 F HA -0.133 4.393 4.527 -0.000 0.000 0.299 418 F C -1.136 174.672 175.800 0.013 0.000 1.100 418 F CA 1.580 59.591 58.000 0.019 0.000 1.226 418 F CB -1.030 37.987 39.000 0.029 0.000 0.983 418 F HN 0.125 nan 8.300 nan 0.000 0.479 419 P HA -0.118 nan 4.420 nan 0.000 0.218 419 P C 1.444 178.628 177.300 -0.194 0.000 1.149 419 P CA 1.751 64.721 63.100 -0.216 0.000 0.817 419 P CB -0.151 31.538 31.700 -0.019 0.000 0.785 420 R N -1.196 119.230 120.500 -0.124 0.000 2.081 420 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 420 R C 2.379 178.596 176.300 -0.139 0.000 1.131 420 R CA 1.455 57.495 56.100 -0.099 0.000 0.960 420 R CB -0.636 29.626 30.300 -0.064 0.000 0.856 420 R HN 0.215 nan 8.270 nan 0.000 0.436 421 M N 0.359 119.844 119.600 -0.192 0.000 2.065 421 M HA -0.232 4.248 4.480 -0.000 0.000 0.259 421 M C 2.271 178.443 176.300 -0.213 0.000 1.069 421 M CA 1.778 56.955 55.300 -0.205 0.000 1.110 421 M CB -0.371 32.098 32.600 -0.219 0.000 1.328 421 M HN 0.180 nan 8.290 nan 0.000 0.405 422 L N -0.684 120.335 121.223 -0.339 0.000 2.081 422 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 422 L C 2.546 179.339 176.870 -0.129 0.000 1.080 422 L CA 1.079 55.765 54.840 -0.257 0.000 0.754 422 L CB -0.448 41.402 42.059 -0.349 0.000 0.893 422 L HN 0.359 nan 8.230 nan 0.000 0.433 423 M N -0.630 118.901 119.600 -0.116 0.000 2.358 423 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 423 M C 1.950 178.246 176.300 -0.007 0.000 1.064 423 M CA 1.467 56.735 55.300 -0.052 0.000 1.093 423 M CB -0.204 32.368 32.600 -0.047 0.000 1.401 423 M HN -0.053 nan 8.290 nan 0.000 0.440 424 K N -0.357 120.041 120.400 -0.003 0.000 2.288 424 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 424 K C 1.796 178.475 176.600 0.132 0.000 1.048 424 K CA 0.902 57.254 56.287 0.107 0.000 0.956 424 K CB -0.396 32.138 32.500 0.057 0.000 0.746 424 K HN 0.411 nan 8.250 nan 0.000 0.461 425 L N 0.327 121.575 121.223 0.041 0.000 2.109 425 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 425 L C 2.290 179.166 176.870 0.010 0.000 1.086 425 L CA 0.494 55.348 54.840 0.024 0.000 0.760 425 L CB -0.522 41.539 42.059 0.004 0.000 0.910 425 L HN -0.155 nan 8.230 nan 0.000 0.437 426 V N -0.500 119.420 119.914 0.010 0.000 2.287 426 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 426 V C 2.586 178.679 176.094 -0.002 0.000 1.053 426 V CA 2.221 64.523 62.300 0.004 0.000 1.027 426 V CB -0.506 31.320 31.823 0.005 0.000 0.646 426 V HN 0.411 nan 8.190 nan 0.000 0.447 427 S N 0.023 115.734 115.700 0.018 0.000 2.368 427 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 427 S C 1.898 176.420 174.600 -0.129 0.000 1.030 427 S CA 1.432 59.625 58.200 -0.011 0.000 0.999 427 S CB -0.418 62.837 63.200 0.092 0.000 0.844 427 S HN 0.483 nan 8.310 nan 0.000 0.459 428 L N 0.899 122.021 121.223 -0.167 0.000 2.127 428 L HA -0.152 4.187 4.340 -0.000 0.000 0.211 428 L C 2.769 179.559 176.870 -0.135 0.000 1.089 428 L CA 0.910 55.603 54.840 -0.246 0.000 0.757 428 L CB -0.482 41.474 42.059 -0.171 0.000 0.899 428 L HN 0.176 nan 8.230 nan 0.000 0.434 429 R N -0.236 120.220 120.500 -0.073 0.000 2.061 429 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 429 R C 2.326 178.600 176.300 -0.044 0.000 1.140 429 R CA 1.789 57.863 56.100 -0.043 0.000 0.940 429 R CB -1.360 28.927 30.300 -0.021 0.000 0.839 429 R HN 0.264 nan 8.270 nan 0.000 0.429 430 T N 2.606 117.136 114.554 -0.040 0.000 2.635 430 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 430 T C 2.066 176.749 174.700 -0.027 0.000 1.040 430 T CA 1.482 63.566 62.100 -0.027 0.000 1.156 430 T CB -0.375 68.485 68.868 -0.015 0.000 0.863 430 T HN 0.113 nan 8.240 nan 0.000 0.430 431 L N 0.775 121.960 121.223 -0.063 0.000 1.990 431 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 431 L C 2.878 179.754 176.870 0.010 0.000 1.072 431 L CA 1.666 56.488 54.840 -0.030 0.000 0.755 431 L CB -0.764 41.191 42.059 -0.173 0.000 0.889 431 L HN 0.320 nan 8.230 nan 0.000 0.432 432 S N -1.061 114.609 115.700 -0.050 0.000 2.380 432 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 432 S C 2.259 176.856 174.600 -0.005 0.000 1.043 432 S CA 2.087 60.266 58.200 -0.035 0.000 1.038 432 S CB -0.279 62.898 63.200 -0.038 0.000 0.872 432 S HN 0.476 nan 8.310 nan 0.000 0.456 433 S N -0.258 115.429 115.700 -0.021 0.000 2.345 433 S HA -0.054 4.416 4.470 -0.000 0.000 0.220 433 S C 1.840 176.403 174.600 -0.061 0.000 1.031 433 S CA 1.501 59.678 58.200 -0.037 0.000 0.996 433 S CB -0.607 62.576 63.200 -0.029 0.000 0.882 433 S HN 0.437 nan 8.310 nan 0.000 0.445 434 V N 2.587 122.487 119.914 -0.024 0.000 2.469 434 V HA -0.167 3.953 4.120 -0.000 0.000 0.251 434 V C 2.449 178.417 176.094 -0.211 0.000 1.064 434 V CA 2.133 64.417 62.300 -0.026 0.000 1.066 434 V CB -1.001 30.890 31.823 0.114 0.000 0.667 434 V HN 0.701 nan 8.190 nan 0.000 0.461 435 H N 0.924 119.743 119.070 -0.419 0.000 2.389 435 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 435 H C 2.392 177.369 175.328 -0.585 0.000 1.081 435 H CA 1.901 57.417 56.048 -0.887 0.000 1.345 435 H CB 0.168 29.521 29.762 -0.682 0.000 1.393 435 H HN 0.588 nan 8.280 nan 0.000 0.520 436 S N 0.043 115.449 115.700 -0.490 0.000 2.436 436 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 436 S C 1.731 176.171 174.600 -0.268 0.000 1.014 436 S CA 0.677 58.631 58.200 -0.411 0.000 0.950 436 S CB -0.123 62.965 63.200 -0.187 0.000 0.784 436 S HN 0.504 nan 8.310 nan 0.000 0.504 437 E N 0.560 120.629 120.200 -0.218 0.000 2.347 437 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 437 E C 2.012 178.568 176.600 -0.073 0.000 1.008 437 E CA 0.788 57.136 56.400 -0.087 0.000 0.852 437 E CB -0.070 29.595 29.700 -0.059 0.000 0.783 437 E HN 0.616 nan 8.360 nan 0.000 0.505 438 Q N 0.532 120.161 119.800 -0.285 0.000 2.123 438 Q HA -0.063 4.276 4.340 -0.000 0.000 0.196 438 Q C 2.003 177.873 176.000 -0.216 0.000 0.958 438 Q CA 1.009 56.639 55.803 -0.287 0.000 0.841 438 Q CB -0.029 28.347 28.738 -0.603 0.000 0.915 438 Q HN 0.058 nan 8.270 nan 0.000 0.455 439 V N 0.912 120.634 119.914 -0.320 0.000 2.343 439 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 439 V C 2.071 178.159 176.094 -0.011 0.000 1.051 439 V CA 1.970 64.168 62.300 -0.170 0.000 1.036 439 V CB -0.785 30.904 31.823 -0.223 0.000 0.654 439 V HN 0.502 nan 8.190 nan 0.000 0.451 440 F N 1.436 121.299 119.950 -0.144 0.000 2.134 440 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 440 F C 2.285 178.040 175.800 -0.074 0.000 1.097 440 F CA 1.528 59.475 58.000 -0.088 0.000 1.264 440 F CB -0.299 38.649 39.000 -0.086 0.000 1.001 440 F HN 0.082 nan 8.300 nan 0.000 0.479 441 A N 0.857 123.637 122.820 -0.067 0.000 1.933 441 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 441 A C 1.439 178.912 177.584 -0.185 0.000 1.175 441 A CA 1.624 53.561 52.037 -0.167 0.000 0.628 441 A CB -1.192 17.786 19.000 -0.036 0.000 0.814 441 A HN 0.511 nan 8.150 nan 0.000 0.444 442 L N -1.830 119.316 121.223 -0.128 0.000 3.036 442 L HA 0.495 4.835 4.340 -0.000 0.000 0.237 442 L C 0.908 177.703 176.870 -0.125 0.000 1.319 442 L CA 0.421 55.185 54.840 -0.127 0.000 1.112 442 L CB -0.420 41.590 42.059 -0.082 0.000 1.480 442 L HN 0.450 nan 8.230 nan 0.000 0.506 443 R N 0.454 120.851 120.500 -0.171 0.000 2.492 443 R HA 0.238 4.578 4.340 -0.000 0.000 0.219 443 R C 0.799 176.990 176.300 -0.181 0.000 0.886 443 R CA 0.347 56.365 56.100 -0.138 0.000 1.003 443 R CB -0.154 30.088 30.300 -0.096 0.000 1.345 443 R HN 0.347 nan 8.270 nan 0.000 0.631 444 L N -0.737 120.324 121.223 -0.270 0.000 2.640 444 L HA 0.421 4.761 4.340 -0.000 0.000 0.230 444 L C 0.910 177.670 176.870 -0.183 0.000 1.123 444 L CA 0.016 54.713 54.840 -0.238 0.000 0.900 444 L CB -0.305 41.553 42.059 -0.334 0.000 1.146 444 L HN 0.108 nan 8.230 nan 0.000 0.484 445 Q N 0.832 120.524 119.800 -0.180 0.000 2.270 445 Q HA 0.055 4.395 4.340 -0.000 0.000 0.167 445 Q C 0.724 176.638 176.000 -0.143 0.000 1.023 445 Q CA 0.316 56.029 55.803 -0.150 0.000 1.070 445 Q CB 0.836 29.480 28.738 -0.157 0.000 1.504 445 Q HN 0.448 nan 8.270 nan 0.000 0.536 446 D N -0.117 120.194 120.400 -0.149 0.000 2.162 446 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 446 D C -0.050 176.160 176.300 -0.151 0.000 0.964 446 D CA 0.801 54.719 54.000 -0.136 0.000 0.847 446 D CB 0.150 40.876 40.800 -0.123 0.000 0.988 446 D HN 0.290 nan 8.370 nan 0.000 0.480 447 K N 1.267 121.524 120.400 -0.239 0.000 2.118 447 K HA 0.278 4.597 4.320 -0.000 0.000 0.264 447 K C 0.039 176.571 176.600 -0.113 0.000 1.000 447 K CA -0.528 55.610 56.287 -0.247 0.000 0.929 447 K CB 1.819 33.962 32.500 -0.596 0.000 1.021 447 K HN -0.037 nan 8.250 nan 0.000 0.463 448 K N 1.811 122.219 120.400 0.014 0.000 2.288 448 K HA 0.531 4.851 4.320 -0.000 0.000 0.234 448 K C -0.139 176.600 176.600 0.232 0.000 1.037 448 K CA -1.005 55.339 56.287 0.095 0.000 0.914 448 K CB 0.793 33.332 32.500 0.065 0.000 1.197 448 K HN 0.417 nan 8.250 nan 0.000 0.471 449 L N 1.527 122.870 121.223 0.201 0.000 2.342 449 L HA 0.441 4.781 4.340 -0.000 0.000 0.271 449 L C -2.243 174.698 176.870 0.119 0.000 1.008 449 L CA -2.389 52.579 54.840 0.215 0.000 0.818 449 L CB 1.449 43.646 42.059 0.231 0.000 1.296 449 L HN 0.442 nan 8.230 nan 0.000 0.427 450 P HA 0.062 nan 4.420 nan 0.000 0.267 450 P C -2.144 175.159 177.300 0.005 0.000 1.200 450 P CA -1.049 62.071 63.100 0.033 0.000 0.772 450 P CB 0.140 31.843 31.700 0.006 0.000 0.855 451 P HA -0.270 nan 4.420 nan 0.000 0.221 451 P C 1.567 178.832 177.300 -0.057 0.000 1.160 451 P CA 1.380 64.468 63.100 -0.020 0.000 0.933 451 P CB -0.086 31.602 31.700 -0.020 0.000 0.793 452 L N -0.283 120.890 121.223 -0.083 0.000 1.944 452 L HA -0.184 4.156 4.340 -0.000 0.000 0.218 452 L C 2.852 179.588 176.870 -0.223 0.000 1.075 452 L CA 1.837 56.593 54.840 -0.139 0.000 0.767 452 L CB -1.638 40.335 42.059 -0.144 0.000 0.890 452 L HN -0.144 nan 8.230 nan 0.000 0.434 453 L N -0.999 120.073 121.223 -0.250 0.000 2.051 453 L HA -0.284 4.056 4.340 -0.000 0.000 0.214 453 L C 2.712 179.445 176.870 -0.229 0.000 1.076 453 L CA 1.720 56.315 54.840 -0.408 0.000 0.758 453 L CB -1.008 40.962 42.059 -0.149 0.000 0.890 453 L HN 0.452 nan 8.230 nan 0.000 0.433 454 S N -0.642 115.026 115.700 -0.053 0.000 2.399 454 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 454 S C 1.848 176.439 174.600 -0.015 0.000 1.022 454 S CA 1.370 59.586 58.200 0.026 0.000 0.983 454 S CB -0.086 63.136 63.200 0.037 0.000 0.803 454 S HN 0.416 nan 8.310 nan 0.000 0.480 455 E N 0.286 120.438 120.200 -0.080 0.000 2.023 455 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 455 E C 2.006 178.553 176.600 -0.088 0.000 1.003 455 E CA 1.722 58.077 56.400 -0.075 0.000 0.809 455 E CB -0.232 29.408 29.700 -0.099 0.000 0.755 455 E HN 0.593 nan 8.360 nan 0.000 0.449 456 I N -0.509 119.926 120.570 -0.226 0.000 2.315 456 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 456 I C 1.831 177.945 176.117 -0.005 0.000 1.117 456 I CA 0.819 61.955 61.300 -0.273 0.000 1.404 456 I CB -0.195 37.375 38.000 -0.716 0.000 1.071 456 I HN 0.266 nan 8.210 nan 0.000 0.419 457 W N -0.014 121.315 121.300 0.048 0.000 2.893 457 W HA 0.131 4.791 4.660 -0.000 0.000 0.253 457 W C 1.790 178.319 176.519 0.017 0.000 1.171 457 W CA -0.215 57.158 57.345 0.048 0.000 1.480 457 W CB -1.043 28.464 29.460 0.079 0.000 0.963 457 W HN 0.021 nan 8.180 nan 0.000 0.637 458 D N 0.340 120.884 120.400 0.240 0.000 2.378 458 D HA 0.069 4.709 4.640 -0.000 0.000 0.222 458 D C 0.562 176.927 176.300 0.108 0.000 0.980 458 D CA 0.889 54.977 54.000 0.147 0.000 0.907 458 D CB 0.613 41.479 40.800 0.110 0.000 0.899 458 D HN -0.228 nan 8.370 nan 0.000 0.527 459 V N 0.000 119.980 119.914 0.111 0.000 2.409 459 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 459 V CA 0.000 62.344 62.300 0.074 0.000 1.235 459 V CB 0.000 31.854 31.823 0.052 0.000 1.184 459 V HN 0.000 nan 8.190 nan 0.000 0.556