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 1pq9_1_A DATA FIRST_RESID 220 DATA SEQUENCE LTAAQELMIQ QLVAAQLQCN KRSFSDQPKV TPWPXXXXXX XRDARQQRFA DATA SEQUENCE HFTELAIISV QEIVDFAKQV PGFLQLGRED QIALLKASTI EIMLLETARR DATA SEQUENCE YNHETECITF LKDFTYSKDD FHRAGLQVEF INPIFEFSRA MRRLGLDDAE DATA SEQUENCE YALLIAINIF SADRPNVQEP GRVEALQQPY VEALLSYTRI KRPQDQLRFP DATA SEQUENCE RMLMKLVSLR TLSSVHSEQV FALRLQDKKL PPLLSEIWD 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 220 L HA 0.000 nan 4.340 nan 0.000 0.249 220 L C 0.000 176.871 176.870 0.002 0.000 1.165 220 L CA 0.000 54.841 54.840 0.001 0.000 0.813 220 L CB 0.000 42.072 42.059 0.021 0.000 0.961 221 T N -0.759 113.794 114.554 -0.001 0.000 2.788 221 T HA 0.482 4.832 4.350 -0.001 0.000 0.287 221 T C 1.307 176.009 174.700 0.003 0.000 1.007 221 T CA 0.189 62.287 62.100 -0.003 0.000 1.005 221 T CB 1.726 70.588 68.868 -0.011 0.000 1.012 221 T HN 0.646 nan 8.240 nan 0.000 0.530 222 A N 0.941 123.761 122.820 0.001 0.000 1.908 222 A HA 0.140 4.459 4.320 -0.001 0.000 0.218 222 A C 2.648 180.234 177.584 0.003 0.000 1.181 222 A CA 1.925 53.965 52.037 0.004 0.000 0.627 222 A CB -1.573 17.428 19.000 0.002 0.000 0.818 222 A HN 1.250 nan 8.150 nan 0.000 0.445 223 A N -0.977 121.840 122.820 -0.006 0.000 1.930 223 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 223 A C 2.112 179.687 177.584 -0.015 0.000 1.175 223 A CA 1.554 53.583 52.037 -0.014 0.000 0.627 223 A CB -0.473 18.511 19.000 -0.027 0.000 0.815 223 A HN 0.659 nan 8.150 nan 0.000 0.443 224 Q N -0.527 119.267 119.800 -0.010 0.000 2.079 224 Q HA -0.163 4.176 4.340 -0.001 0.000 0.200 224 Q C 1.965 177.983 176.000 0.030 0.000 0.974 224 Q CA 1.472 57.275 55.803 0.000 0.000 0.840 224 Q CB -0.158 28.585 28.738 0.008 0.000 0.898 224 Q HN 0.739 nan 8.270 nan 0.000 0.430 225 E N 0.501 120.723 120.200 0.036 0.000 2.077 225 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 225 E C 2.027 178.655 176.600 0.047 0.000 0.989 225 E CA 0.868 57.299 56.400 0.052 0.000 0.800 225 E CB -0.103 29.623 29.700 0.043 0.000 0.746 225 E HN 0.177 nan 8.360 nan 0.000 0.452 226 L N 1.165 122.407 121.223 0.031 0.000 2.046 226 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 226 L C 2.332 179.227 176.870 0.041 0.000 1.077 226 L CA 1.679 56.538 54.840 0.031 0.000 0.747 226 L CB -0.417 41.653 42.059 0.018 0.000 0.896 226 L HN 0.156 nan 8.230 nan 0.000 0.432 227 M N -1.123 118.498 119.600 0.034 0.000 2.099 227 M HA -0.207 4.273 4.480 -0.001 0.000 0.262 227 M C 2.225 178.586 176.300 0.103 0.000 1.067 227 M CA 2.151 57.485 55.300 0.057 0.000 1.124 227 M CB -0.294 32.299 32.600 -0.011 0.000 1.353 227 M HN 0.312 nan 8.290 nan 0.000 0.410 228 I N 0.502 121.122 120.570 0.083 0.000 2.202 228 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 228 I C 2.559 178.724 176.117 0.080 0.000 1.091 228 I CA 1.484 62.832 61.300 0.081 0.000 1.368 228 I CB -0.505 37.529 38.000 0.056 0.000 1.058 228 I HN 0.441 nan 8.210 nan 0.000 0.410 229 Q N 0.053 119.897 119.800 0.073 0.000 2.135 229 Q HA -0.313 4.027 4.340 -0.001 0.000 0.204 229 Q C 2.166 178.209 176.000 0.072 0.000 0.981 229 Q CA 1.921 57.765 55.803 0.069 0.000 0.856 229 Q CB -0.172 28.601 28.738 0.058 0.000 0.902 229 Q HN 0.455 nan 8.270 nan 0.000 0.425 230 Q N 0.874 120.718 119.800 0.074 0.000 2.079 230 Q HA -0.137 4.203 4.340 -0.001 0.000 0.200 230 Q C 1.792 177.844 176.000 0.087 0.000 0.974 230 Q CA 1.388 57.231 55.803 0.068 0.000 0.840 230 Q CB -0.231 28.543 28.738 0.060 0.000 0.898 230 Q HN 0.386 nan 8.270 nan 0.000 0.430 231 L N -0.404 120.893 121.223 0.124 0.000 2.046 231 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 231 L C 2.355 179.371 176.870 0.244 0.000 1.077 231 L CA 0.973 55.933 54.840 0.200 0.000 0.747 231 L CB -0.496 41.705 42.059 0.237 0.000 0.896 231 L HN 0.168 nan 8.230 nan 0.000 0.432 232 V N -0.013 119.989 119.914 0.147 0.000 2.358 232 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 232 V C 2.719 178.877 176.094 0.107 0.000 1.047 232 V CA 1.686 64.052 62.300 0.110 0.000 1.035 232 V CB -0.725 31.140 31.823 0.071 0.000 0.658 232 V HN 0.453 nan 8.190 nan 0.000 0.452 233 A N 0.049 122.927 122.820 0.097 0.000 1.898 233 A HA -0.063 4.257 4.320 -0.001 0.000 0.216 233 A C 2.428 180.071 177.584 0.099 0.000 1.181 233 A CA 1.909 53.994 52.037 0.080 0.000 0.620 233 A CB -0.743 18.294 19.000 0.062 0.000 0.819 233 A HN 0.541 nan 8.150 nan 0.000 0.442 234 A N -0.673 122.224 122.820 0.130 0.000 1.902 234 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 234 A C 2.205 179.958 177.584 0.283 0.000 1.181 234 A CA 1.894 54.030 52.037 0.166 0.000 0.623 234 A CB -0.646 18.406 19.000 0.087 0.000 0.818 234 A HN 0.665 nan 8.150 nan 0.000 0.443 235 Q N -0.938 119.056 119.800 0.324 0.000 2.096 235 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 235 Q C 1.991 178.025 176.000 0.057 0.000 0.982 235 Q CA 1.817 57.682 55.803 0.104 0.000 0.850 235 Q CB -0.248 28.467 28.738 -0.038 0.000 0.901 235 Q HN 0.569 nan 8.270 nan 0.000 0.422 236 L N 0.600 121.863 121.223 0.067 0.000 2.056 236 L HA -0.197 4.142 4.340 -0.001 0.000 0.207 236 L C 2.225 179.129 176.870 0.056 0.000 1.078 236 L CA 1.773 56.643 54.840 0.049 0.000 0.749 236 L CB -0.257 41.830 42.059 0.047 0.000 0.901 236 L HN 0.260 nan 8.230 nan 0.000 0.433 237 Q N -1.566 118.274 119.800 0.066 0.000 2.084 237 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 237 Q C 2.400 178.432 176.000 0.053 0.000 0.978 237 Q CA 1.896 57.730 55.803 0.053 0.000 0.844 237 Q CB -0.448 28.320 28.738 0.049 0.000 0.898 237 Q HN 0.596 nan 8.270 nan 0.000 0.426 238 C N 0.932 120.278 119.300 0.078 0.000 2.429 238 C HA -0.119 4.340 4.460 -0.001 0.000 0.277 238 C C 2.497 177.524 174.990 0.062 0.000 1.262 238 C CA 0.673 59.731 59.018 0.068 0.000 1.733 238 C CB -1.251 26.559 27.740 0.117 0.000 2.010 238 C HN 0.597 nan 8.230 nan 0.000 0.483 239 N N 0.906 119.658 118.700 0.087 0.000 2.104 239 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 239 N C 1.848 177.438 175.510 0.134 0.000 1.024 239 N CA 1.494 54.637 53.050 0.154 0.000 0.853 239 N CB -0.263 38.286 38.487 0.103 0.000 1.008 239 N HN 0.576 nan 8.380 nan 0.000 0.424 240 K N 1.019 121.464 120.400 0.074 0.000 2.057 240 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 240 K C 2.336 178.948 176.600 0.020 0.000 1.049 240 K CA 0.926 57.245 56.287 0.053 0.000 0.931 240 K CB -0.086 32.437 32.500 0.038 0.000 0.714 240 K HN 0.050 nan 8.250 nan 0.000 0.440 241 R N -0.240 120.257 120.500 -0.004 0.000 2.081 241 R HA -0.051 4.288 4.340 -0.001 0.000 0.235 241 R C 1.926 178.157 176.300 -0.116 0.000 1.131 241 R CA 1.960 58.033 56.100 -0.046 0.000 0.960 241 R CB -0.039 30.236 30.300 -0.041 0.000 0.856 241 R HN 0.150 nan 8.270 nan 0.000 0.436 242 S N -1.160 114.433 115.700 -0.178 0.000 2.470 242 S HA 0.109 4.578 4.470 -0.001 0.000 0.222 242 S C 0.329 174.518 174.600 -0.685 0.000 1.024 242 S CA 0.410 58.327 58.200 -0.472 0.000 0.931 242 S CB 0.432 63.260 63.200 -0.622 0.000 0.791 242 S HN 0.251 nan 8.310 nan 0.000 0.513 243 F N 0.408 120.336 119.950 -0.037 0.000 2.671 243 F HA 0.361 4.887 4.527 -0.001 0.000 0.384 243 F C 1.235 177.027 175.800 -0.014 0.000 1.351 243 F CA -0.289 57.690 58.000 -0.035 0.000 1.151 243 F CB 0.770 39.776 39.000 0.010 0.000 1.147 243 F HN -0.028 nan 8.300 nan 0.000 0.513 244 S N -1.244 114.515 115.700 0.098 0.000 2.452 244 S HA 0.039 4.509 4.470 -0.001 0.000 0.225 244 S C 0.575 175.211 174.600 0.060 0.000 1.057 244 S CA 0.121 58.367 58.200 0.077 0.000 0.949 244 S CB 0.211 63.437 63.200 0.043 0.000 0.836 244 S HN 0.211 nan 8.310 nan 0.000 0.518 245 D N 2.224 122.636 120.400 0.021 0.000 2.358 245 D HA 0.130 4.769 4.640 -0.001 0.000 0.244 245 D C -0.014 176.293 176.300 0.011 0.000 1.163 245 D CA 0.061 54.069 54.000 0.013 0.000 0.945 245 D CB 0.383 41.172 40.800 -0.019 0.000 1.152 245 D HN 0.144 nan 8.370 nan 0.000 0.451 246 Q N 1.526 121.347 119.800 0.036 0.000 2.311 246 Q HA 0.161 4.500 4.340 -0.001 0.000 0.272 246 Q C -1.937 174.023 176.000 -0.066 0.000 1.012 246 Q CA -1.068 54.762 55.803 0.045 0.000 0.891 246 Q CB 0.129 28.952 28.738 0.142 0.000 1.201 246 Q HN 0.203 nan 8.270 nan 0.000 0.391 247 P HA 0.100 nan 4.420 nan 0.000 0.275 247 P C -0.719 176.500 177.300 -0.136 0.000 1.227 247 P CA -0.169 62.780 63.100 -0.252 0.000 0.781 247 P CB 0.730 32.169 31.700 -0.435 0.000 0.906 248 K N 1.964 122.296 120.400 -0.113 0.000 2.262 248 K HA 0.367 4.687 4.320 -0.001 0.000 0.288 248 K C -0.455 176.120 176.600 -0.042 0.000 1.090 248 K CA -0.343 55.916 56.287 -0.047 0.000 0.918 248 K CB 0.209 32.679 32.500 -0.051 0.000 1.139 248 K HN 0.258 nan 8.250 nan 0.000 0.462 249 V N 1.090 121.026 119.914 0.036 0.000 2.971 249 V HA 0.145 4.265 4.120 -0.001 0.000 0.309 249 V C 0.148 176.372 176.094 0.217 0.000 1.130 249 V CA -1.221 61.129 62.300 0.083 0.000 0.964 249 V CB 2.016 33.861 31.823 0.036 0.000 1.029 249 V HN 0.597 nan 8.190 nan 0.000 0.427 250 T N 5.344 120.037 114.554 0.233 0.000 2.822 250 T HA 0.110 4.460 4.350 -0.001 0.000 0.288 250 T C -2.366 172.538 174.700 0.340 0.000 0.991 250 T CA 0.132 62.376 62.100 0.239 0.000 1.176 250 T CB 0.183 69.174 68.868 0.205 0.000 0.951 250 T HN 0.486 nan 8.240 nan 0.000 0.526 251 P HA -0.051 nan 4.420 nan 0.000 0.262 251 P C -0.112 177.255 177.300 0.111 0.000 1.182 251 P CA -0.312 62.902 63.100 0.189 0.000 0.761 251 P CB 0.355 32.124 31.700 0.115 0.000 0.795 252 W N 6.483 127.674 121.300 -0.182 0.000 2.565 252 W HA 0.084 4.744 4.660 -0.001 0.000 0.325 252 W C -2.014 174.449 176.519 -0.093 0.000 1.408 252 W CA -1.297 55.891 57.345 -0.263 0.000 1.350 252 W CB -0.450 28.801 29.460 -0.349 0.000 1.426 252 W HN 0.445 nan 8.180 nan 0.000 0.538 262 D N 1.430 121.806 120.400 -0.040 0.000 2.106 262 D HA 0.009 4.648 4.640 -0.001 0.000 0.191 262 D C 1.789 178.057 176.300 -0.053 0.000 0.997 262 D CA 2.430 56.407 54.000 -0.039 0.000 0.834 262 D CB -0.093 40.685 40.800 -0.037 0.000 0.956 262 D HN 0.708 nan 8.370 nan 0.000 0.448 263 A N -0.525 122.248 122.820 -0.078 0.000 2.348 263 A HA 0.123 4.442 4.320 -0.001 0.000 0.224 263 A C 1.881 179.382 177.584 -0.139 0.000 1.227 263 A CA -0.114 51.848 52.037 -0.126 0.000 0.885 263 A CB 0.195 19.096 19.000 -0.166 0.000 0.933 263 A HN -0.069 nan 8.150 nan 0.000 0.506 264 R N -0.137 120.308 120.500 -0.092 0.000 2.075 264 R HA -0.042 4.297 4.340 -0.001 0.000 0.226 264 R C 1.854 178.137 176.300 -0.028 0.000 1.114 264 R CA 1.545 57.596 56.100 -0.081 0.000 0.972 264 R CB -0.342 29.912 30.300 -0.078 0.000 0.869 264 R HN 0.678 nan 8.270 nan 0.000 0.437 265 Q N 0.073 119.870 119.800 -0.004 0.000 2.172 265 Q HA -0.102 4.237 4.340 -0.001 0.000 0.200 265 Q C 2.038 178.103 176.000 0.108 0.000 0.964 265 Q CA 1.222 57.068 55.803 0.071 0.000 0.855 265 Q CB 0.147 28.912 28.738 0.045 0.000 0.918 265 Q HN 0.347 nan 8.270 nan 0.000 0.444 266 Q N -0.386 119.428 119.800 0.024 0.000 2.187 266 Q HA -0.040 4.300 4.340 -0.001 0.000 0.199 266 Q C 1.846 177.856 176.000 0.017 0.000 0.957 266 Q CA 0.763 56.576 55.803 0.016 0.000 0.857 266 Q CB 0.226 28.937 28.738 -0.045 0.000 0.929 266 Q HN 0.200 nan 8.270 nan 0.000 0.453 267 R N -0.692 119.749 120.500 -0.098 0.000 2.119 267 R HA -0.076 4.263 4.340 -0.001 0.000 0.222 267 R C 1.919 178.333 176.300 0.189 0.000 1.088 267 R CA 0.801 56.813 56.100 -0.146 0.000 0.984 267 R CB -0.108 29.857 30.300 -0.558 0.000 0.884 267 R HN 0.190 nan 8.270 nan 0.000 0.447 268 F N 1.534 121.486 119.950 0.003 0.000 2.084 268 F HA -0.117 4.410 4.527 -0.001 0.000 0.296 268 F C 2.211 178.111 175.800 0.167 0.000 1.111 268 F CA 1.276 59.304 58.000 0.047 0.000 1.224 268 F CB -0.651 38.352 39.000 0.004 0.000 0.991 268 F HN -0.033 nan 8.300 nan 0.000 0.471 269 A N -0.357 122.492 122.820 0.049 0.000 1.892 269 A HA -0.341 3.978 4.320 -0.001 0.000 0.218 269 A C 2.132 179.733 177.584 0.029 0.000 1.188 269 A CA 2.245 54.262 52.037 -0.034 0.000 0.631 269 A CB -1.635 17.412 19.000 0.079 0.000 0.822 269 A HN 0.673 nan 8.150 nan 0.000 0.447 270 H N -1.684 117.454 119.070 0.113 0.000 2.289 270 H HA -0.199 4.356 4.556 -0.001 0.000 0.294 270 H C 1.678 177.104 175.328 0.163 0.000 1.095 270 H CA 2.492 58.674 56.048 0.224 0.000 1.256 270 H CB -0.404 29.660 29.762 0.503 0.000 1.359 270 H HN 0.426 nan 8.280 nan 0.000 0.487 271 F N -0.132 119.803 119.950 -0.024 0.000 2.134 271 F HA -0.189 4.337 4.527 -0.001 0.000 0.299 271 F C 2.878 178.529 175.800 -0.248 0.000 1.097 271 F CA 1.782 59.667 58.000 -0.192 0.000 1.264 271 F CB -1.005 37.932 39.000 -0.106 0.000 1.001 271 F HN 0.171 nan 8.300 nan 0.000 0.479 272 T N -0.763 113.707 114.554 -0.140 0.000 2.788 272 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 272 T C 1.822 176.436 174.700 -0.144 0.000 1.044 272 T CA 1.678 63.659 62.100 -0.198 0.000 1.139 272 T CB -0.153 68.454 68.868 -0.435 0.000 0.867 272 T HN 0.279 nan 8.240 nan 0.000 0.454 273 E N 0.333 120.431 120.200 -0.169 0.000 2.107 273 E HA 0.050 4.399 4.350 -0.001 0.000 0.191 273 E C 2.206 178.654 176.600 -0.252 0.000 0.982 273 E CA 0.573 56.867 56.400 -0.177 0.000 0.809 273 E CB -0.135 29.480 29.700 -0.142 0.000 0.756 273 E HN 0.396 nan 8.360 nan 0.000 0.459 274 L N 0.674 121.673 121.223 -0.374 0.000 2.012 274 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 274 L C 2.563 179.273 176.870 -0.267 0.000 1.073 274 L CA 1.209 55.760 54.840 -0.482 0.000 0.748 274 L CB -0.516 41.078 42.059 -0.776 0.000 0.891 274 L HN 0.176 nan 8.230 nan 0.000 0.431 275 A N 0.099 122.829 122.820 -0.150 0.000 1.908 275 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 275 A C 2.228 179.805 177.584 -0.011 0.000 1.181 275 A CA 1.640 53.688 52.037 0.018 0.000 0.627 275 A CB -0.685 18.410 19.000 0.158 0.000 0.818 275 A HN 0.374 nan 8.150 nan 0.000 0.445 276 I N -0.530 119.993 120.570 -0.079 0.000 2.252 276 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 276 I C 2.261 178.302 176.117 -0.126 0.000 1.102 276 I CA 1.304 62.537 61.300 -0.112 0.000 1.385 276 I CB -0.292 37.637 38.000 -0.119 0.000 1.064 276 I HN 0.299 nan 8.210 nan 0.000 0.414 277 I N 0.101 120.577 120.570 -0.157 0.000 2.286 277 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 277 I C 2.521 178.556 176.117 -0.136 0.000 1.115 277 I CA 1.283 62.455 61.300 -0.214 0.000 1.392 277 I CB -0.266 37.540 38.000 -0.324 0.000 1.065 277 I HN 0.142 nan 8.210 nan 0.000 0.418 278 S N 0.064 115.774 115.700 0.017 0.000 2.387 278 S HA -0.096 4.373 4.470 -0.001 0.000 0.226 278 S C 2.121 176.744 174.600 0.038 0.000 1.026 278 S CA 0.895 59.173 58.200 0.131 0.000 0.972 278 S CB -0.218 63.111 63.200 0.214 0.000 0.814 278 S HN 0.210 nan 8.310 nan 0.000 0.477 279 V N 2.188 122.096 119.914 -0.010 0.000 2.332 279 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 279 V C 2.637 178.689 176.094 -0.071 0.000 1.055 279 V CA 2.061 64.328 62.300 -0.056 0.000 1.038 279 V CB -0.735 31.004 31.823 -0.139 0.000 0.651 279 V HN 0.523 nan 8.190 nan 0.000 0.450 280 Q N -0.033 119.713 119.800 -0.091 0.000 2.061 280 Q HA -0.299 4.040 4.340 -0.001 0.000 0.204 280 Q C 2.371 178.325 176.000 -0.077 0.000 0.984 280 Q CA 2.314 58.059 55.803 -0.097 0.000 0.846 280 Q CB -0.238 28.423 28.738 -0.128 0.000 0.902 280 Q HN 0.750 nan 8.270 nan 0.000 0.421 281 E N -0.022 120.133 120.200 -0.075 0.000 2.097 281 E HA -0.216 4.133 4.350 -0.001 0.000 0.196 281 E C 1.974 178.583 176.600 0.016 0.000 1.000 281 E CA 1.422 57.803 56.400 -0.031 0.000 0.804 281 E CB -0.129 29.579 29.700 0.013 0.000 0.740 281 E HN 0.498 nan 8.360 nan 0.000 0.454 282 I N 0.037 120.610 120.570 0.004 0.000 2.286 282 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 282 I C 2.331 178.443 176.117 -0.009 0.000 1.104 282 I CA 0.467 61.774 61.300 0.012 0.000 1.397 282 I CB -0.037 37.958 38.000 -0.009 0.000 1.072 282 I HN 0.039 nan 8.210 nan 0.000 0.417 283 V N 0.706 120.589 119.914 -0.051 0.000 2.343 283 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 283 V C 2.082 178.122 176.094 -0.090 0.000 1.051 283 V CA 1.935 64.182 62.300 -0.089 0.000 1.036 283 V CB -0.654 31.130 31.823 -0.066 0.000 0.654 283 V HN 0.396 nan 8.190 nan 0.000 0.451 284 D N -0.516 119.858 120.400 -0.042 0.000 2.123 284 D HA -0.195 4.444 4.640 -0.001 0.000 0.196 284 D C 1.888 178.173 176.300 -0.026 0.000 0.992 284 D CA 1.440 55.422 54.000 -0.030 0.000 0.833 284 D CB -0.289 40.505 40.800 -0.010 0.000 0.954 284 D HN 0.467 nan 8.370 nan 0.000 0.455 285 F N 1.542 121.417 119.950 -0.126 0.000 2.113 285 F HA -0.105 4.421 4.527 -0.001 0.000 0.297 285 F C 2.214 177.887 175.800 -0.211 0.000 1.103 285 F CA 1.536 59.457 58.000 -0.132 0.000 1.248 285 F CB -0.338 38.592 39.000 -0.116 0.000 0.999 285 F HN -0.065 nan 8.300 nan 0.000 0.475 286 A N 0.408 123.032 122.820 -0.327 0.000 1.908 286 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 286 A C 2.226 179.346 177.584 -0.772 0.000 1.181 286 A CA 2.059 53.661 52.037 -0.724 0.000 0.627 286 A CB -0.807 17.629 19.000 -0.939 0.000 0.818 286 A HN 0.485 nan 8.150 nan 0.000 0.445 287 K N -0.622 119.514 120.400 -0.440 0.000 2.211 287 K HA -0.159 4.160 4.320 -0.001 0.000 0.204 287 K C 1.835 178.374 176.600 -0.102 0.000 1.047 287 K CA 1.588 57.792 56.287 -0.137 0.000 0.935 287 K CB -0.121 32.348 32.500 -0.052 0.000 0.728 287 K HN 0.649 nan 8.250 nan 0.000 0.452 288 Q N 0.234 119.889 119.800 -0.242 0.000 2.319 288 Q HA 0.078 4.418 4.340 -0.001 0.000 0.202 288 Q C -0.457 175.396 176.000 -0.246 0.000 0.896 288 Q CA -0.115 55.564 55.803 -0.208 0.000 0.942 288 Q CB 0.846 29.447 28.738 -0.228 0.000 1.083 288 Q HN -0.008 nan 8.270 nan 0.000 0.510 289 V N 3.705 123.428 119.914 -0.317 0.000 2.439 289 V HA 0.113 4.232 4.120 -0.001 0.000 0.271 289 V C -2.135 174.046 176.094 0.144 0.000 1.040 289 V CA -1.525 60.674 62.300 -0.168 0.000 1.002 289 V CB 0.317 31.979 31.823 -0.269 0.000 1.000 289 V HN 0.046 nan 8.190 nan 0.000 0.477 290 P HA 0.185 nan 4.420 nan 0.000 0.261 290 P C 1.010 178.495 177.300 0.307 0.000 1.183 290 P CA 1.502 64.736 63.100 0.224 0.000 0.761 290 P CB 0.533 32.343 31.700 0.185 0.000 0.785 291 G N 2.315 111.240 108.800 0.207 0.000 2.232 291 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.226 291 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.226 291 G C 0.763 175.809 174.900 0.244 0.000 0.996 291 G CA 0.133 45.306 45.100 0.122 0.000 0.626 291 G HN 0.493 nan 8.290 nan 0.000 0.509 292 F N 1.329 121.465 119.950 0.311 0.000 2.053 292 F HA 0.340 4.866 4.527 -0.001 0.000 0.292 292 F C 2.432 178.316 175.800 0.139 0.000 1.125 292 F CA 1.990 60.175 58.000 0.309 0.000 1.193 292 F CB -0.290 38.804 39.000 0.158 0.000 0.996 292 F HN 0.103 nan 8.300 nan 0.000 0.470 293 L N 0.130 121.497 121.223 0.240 0.000 2.633 293 L HA -0.144 4.195 4.340 -0.001 0.000 0.235 293 L C 1.406 178.274 176.870 -0.002 0.000 1.163 293 L CA 0.612 55.510 54.840 0.097 0.000 0.859 293 L CB -0.484 41.666 42.059 0.152 0.000 0.973 293 L HN 0.311 nan 8.230 nan 0.000 0.451 294 Q N -0.851 118.946 119.800 -0.004 0.000 2.384 294 Q HA 0.183 4.522 4.340 -0.001 0.000 0.207 294 Q C 0.390 176.352 176.000 -0.064 0.000 0.904 294 Q CA 0.134 55.921 55.803 -0.026 0.000 0.933 294 Q CB 0.277 29.012 28.738 -0.005 0.000 1.077 294 Q HN 0.374 nan 8.270 nan 0.000 0.522 295 L N 0.434 121.589 121.223 -0.113 0.000 2.482 295 L HA 0.151 4.490 4.340 -0.001 0.000 0.273 295 L C 0.983 177.774 176.870 -0.131 0.000 1.228 295 L CA -0.267 54.494 54.840 -0.131 0.000 0.827 295 L CB 0.197 42.140 42.059 -0.194 0.000 1.099 295 L HN 0.200 nan 8.230 nan 0.000 0.494 296 G N 0.777 109.522 108.800 -0.093 0.000 2.484 296 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.235 296 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.235 296 G C 0.815 175.656 174.900 -0.098 0.000 1.282 296 G CA -0.238 44.817 45.100 -0.075 0.000 0.857 296 G HN 0.815 nan 8.290 nan 0.000 0.571 297 R N 0.725 121.181 120.500 -0.073 0.000 2.105 297 R HA -0.125 4.215 4.340 -0.001 0.000 0.239 297 R C 2.190 178.456 176.300 -0.056 0.000 1.135 297 R CA 1.839 57.898 56.100 -0.068 0.000 0.967 297 R CB -0.052 30.227 30.300 -0.035 0.000 0.861 297 R HN 0.669 nan 8.270 nan 0.000 0.442 298 E N 0.282 120.459 120.200 -0.039 0.000 2.106 298 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 298 E C 1.483 178.069 176.600 -0.023 0.000 0.984 298 E CA 1.397 57.784 56.400 -0.022 0.000 0.806 298 E CB -0.070 29.622 29.700 -0.012 0.000 0.750 298 E HN 0.291 nan 8.360 nan 0.000 0.458 299 D N 0.030 120.404 120.400 -0.043 0.000 2.144 299 D HA -0.138 4.501 4.640 -0.001 0.000 0.200 299 D C 1.823 178.078 176.300 -0.075 0.000 0.978 299 D CA 0.835 54.811 54.000 -0.041 0.000 0.833 299 D CB -0.160 40.615 40.800 -0.043 0.000 0.961 299 D HN 0.248 nan 8.370 nan 0.000 0.470 300 Q N 0.056 119.742 119.800 -0.190 0.000 2.030 300 Q HA -0.130 4.209 4.340 -0.001 0.000 0.204 300 Q C 2.445 178.479 176.000 0.057 0.000 0.986 300 Q CA 0.971 56.591 55.803 -0.304 0.000 0.843 300 Q CB -0.116 28.370 28.738 -0.420 0.000 0.904 300 Q HN 0.346 nan 8.270 nan 0.000 0.420 301 I N 0.481 121.072 120.570 0.036 0.000 2.179 301 I HA -0.297 3.873 4.170 -0.001 0.000 0.242 301 I C 2.435 178.591 176.117 0.065 0.000 1.088 301 I CA 0.989 62.328 61.300 0.064 0.000 1.357 301 I CB -0.424 37.593 38.000 0.028 0.000 1.051 301 I HN 0.196 nan 8.210 nan 0.000 0.409 302 A N 0.865 123.714 122.820 0.048 0.000 1.902 302 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 302 A C 2.293 179.923 177.584 0.076 0.000 1.181 302 A CA 1.436 53.505 52.037 0.054 0.000 0.623 302 A CB -0.816 18.208 19.000 0.041 0.000 0.818 302 A HN 0.381 nan 8.150 nan 0.000 0.443 303 L N -0.894 120.387 121.223 0.098 0.000 2.027 303 L HA -0.142 4.197 4.340 -0.001 0.000 0.206 303 L C 2.589 179.531 176.870 0.121 0.000 1.074 303 L CA 1.017 55.930 54.840 0.122 0.000 0.745 303 L CB -0.506 41.657 42.059 0.172 0.000 0.898 303 L HN 0.359 nan 8.230 nan 0.000 0.433 304 L N -0.438 120.881 121.223 0.160 0.000 2.093 304 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 304 L C 2.710 179.619 176.870 0.065 0.000 1.085 304 L CA 1.214 56.111 54.840 0.095 0.000 0.755 304 L CB -0.348 41.777 42.059 0.109 0.000 0.904 304 L HN 0.242 nan 8.230 nan 0.000 0.435 305 K N -0.177 120.264 120.400 0.068 0.000 2.032 305 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 305 K C 2.112 178.786 176.600 0.124 0.000 1.048 305 K CA 1.600 57.926 56.287 0.066 0.000 0.927 305 K CB -0.151 32.385 32.500 0.060 0.000 0.712 305 K HN 0.298 nan 8.250 nan 0.000 0.441 306 A N 0.249 123.134 122.820 0.108 0.000 1.930 306 A HA -0.054 4.265 4.320 -0.001 0.000 0.215 306 A C 2.140 179.784 177.584 0.101 0.000 1.176 306 A CA 1.398 53.502 52.037 0.111 0.000 0.632 306 A CB -0.193 18.856 19.000 0.082 0.000 0.819 306 A HN 0.137 nan 8.150 nan 0.000 0.445 307 S N -0.679 115.067 115.700 0.077 0.000 2.414 307 S HA -0.070 4.399 4.470 -0.001 0.000 0.227 307 S C 2.005 176.642 174.600 0.061 0.000 1.022 307 S CA 1.332 59.560 58.200 0.046 0.000 0.958 307 S CB -0.347 62.858 63.200 0.008 0.000 0.797 307 S HN 0.677 nan 8.310 nan 0.000 0.493 308 T N 2.519 117.134 114.554 0.102 0.000 2.597 308 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 308 T C 1.718 176.520 174.700 0.170 0.000 1.053 308 T CA 1.625 63.803 62.100 0.130 0.000 1.165 308 T CB -0.442 68.509 68.868 0.138 0.000 0.863 308 T HN 0.289 nan 8.240 nan 0.000 0.427 309 I N 1.216 121.916 120.570 0.218 0.000 2.361 309 I HA -0.099 4.071 4.170 -0.001 0.000 0.251 309 I C 2.185 178.277 176.117 -0.042 0.000 1.133 309 I CA 1.439 62.746 61.300 0.012 0.000 1.413 309 I CB -0.376 37.444 38.000 -0.300 0.000 1.073 309 I HN 0.314 nan 8.210 nan 0.000 0.424 310 E N 0.068 120.258 120.200 -0.018 0.000 2.107 310 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 310 E C 2.298 178.884 176.600 -0.023 0.000 0.982 310 E CA 1.406 57.776 56.400 -0.049 0.000 0.809 310 E CB -0.138 29.543 29.700 -0.031 0.000 0.756 310 E HN 0.518 nan 8.360 nan 0.000 0.459 311 I N 0.694 121.263 120.570 -0.002 0.000 2.315 311 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 311 I C 2.427 178.536 176.117 -0.014 0.000 1.117 311 I CA 0.949 62.243 61.300 -0.011 0.000 1.404 311 I CB -0.173 37.812 38.000 -0.026 0.000 1.071 311 I HN 0.124 nan 8.210 nan 0.000 0.419 312 M N 0.187 119.791 119.600 0.007 0.000 2.149 312 M HA -0.218 4.261 4.480 -0.001 0.000 0.261 312 M C 2.292 178.581 176.300 -0.017 0.000 1.064 312 M CA 1.874 57.181 55.300 0.011 0.000 1.102 312 M CB -0.300 32.335 32.600 0.057 0.000 1.369 312 M HN 0.233 nan 8.290 nan 0.000 0.408 313 L N -0.635 120.569 121.223 -0.033 0.000 2.056 313 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 313 L C 2.317 179.259 176.870 0.121 0.000 1.078 313 L CA 0.569 55.387 54.840 -0.036 0.000 0.749 313 L CB -0.568 41.359 42.059 -0.219 0.000 0.901 313 L HN 0.248 nan 8.230 nan 0.000 0.433 314 L N -0.233 121.076 121.223 0.144 0.000 2.013 314 L HA -0.238 4.101 4.340 -0.001 0.000 0.212 314 L C 2.716 179.580 176.870 -0.010 0.000 1.073 314 L CA 1.770 56.733 54.840 0.206 0.000 0.753 314 L CB -1.149 41.014 42.059 0.173 0.000 0.890 314 L HN 0.282 nan 8.230 nan 0.000 0.432 315 E N -0.948 119.185 120.200 -0.111 0.000 2.106 315 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 315 E C 2.103 178.550 176.600 -0.256 0.000 0.984 315 E CA 1.446 57.703 56.400 -0.238 0.000 0.806 315 E CB -0.265 29.326 29.700 -0.182 0.000 0.750 315 E HN 0.459 nan 8.360 nan 0.000 0.458 316 T N 1.214 115.661 114.554 -0.178 0.000 2.720 316 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 316 T C 1.889 176.500 174.700 -0.149 0.000 1.037 316 T CA 1.553 63.536 62.100 -0.195 0.000 1.144 316 T CB -0.177 68.611 68.868 -0.134 0.000 0.864 316 T HN 0.272 nan 8.240 nan 0.000 0.444 317 A N 1.270 124.036 122.820 -0.089 0.000 1.930 317 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 317 A C 2.302 179.838 177.584 -0.080 0.000 1.175 317 A CA 1.531 53.520 52.037 -0.079 0.000 0.627 317 A CB -0.525 18.448 19.000 -0.044 0.000 0.815 317 A HN 0.377 nan 8.150 nan 0.000 0.443 318 R N -0.424 119.909 120.500 -0.278 0.000 2.080 318 R HA -0.081 4.258 4.340 -0.001 0.000 0.236 318 R C 2.021 178.179 176.300 -0.236 0.000 1.137 318 R CA 1.666 57.498 56.100 -0.447 0.000 0.943 318 R CB -0.202 29.639 30.300 -0.766 0.000 0.846 318 R HN 0.453 nan 8.270 nan 0.000 0.431 319 R N -0.895 119.453 120.500 -0.253 0.000 2.339 319 R HA -0.061 4.278 4.340 -0.001 0.000 0.199 319 R C -0.152 176.071 176.300 -0.128 0.000 1.018 319 R CA -0.023 55.928 56.100 -0.249 0.000 1.036 319 R CB -0.088 29.948 30.300 -0.440 0.000 0.899 319 R HN 0.186 nan 8.270 nan 0.000 0.473 320 Y N 1.089 121.283 120.300 -0.176 0.000 2.336 320 Y HA 0.110 4.660 4.550 -0.001 0.000 0.331 320 Y C -0.260 175.614 175.900 -0.045 0.000 1.211 320 Y CA -0.702 57.335 58.100 -0.105 0.000 1.346 320 Y CB 0.674 39.074 38.460 -0.101 0.000 1.271 320 Y HN -0.154 nan 8.280 nan 0.000 0.538 321 N N 3.076 121.388 118.700 -0.647 0.000 2.576 321 N HA 0.108 4.847 4.740 -0.001 0.000 0.269 321 N C -0.085 175.087 175.510 -0.564 0.000 1.058 321 N CA -0.413 52.399 53.050 -0.397 0.000 0.860 321 N CB 0.212 38.548 38.487 -0.251 0.000 1.249 321 N HN 0.762 nan 8.380 nan 0.000 0.525 322 H N 2.303 121.151 119.070 -0.371 0.000 2.456 322 H HA 0.002 4.558 4.556 -0.001 0.000 0.296 322 H C 0.858 176.119 175.328 -0.112 0.000 1.079 322 H CA 2.000 57.962 56.048 -0.143 0.000 1.322 322 H CB 0.564 30.392 29.762 0.110 0.000 1.388 322 H HN 0.681 nan 8.280 nan 0.000 0.538 323 E N -0.937 119.172 120.200 -0.151 0.000 2.038 323 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 323 E C 2.011 178.498 176.600 -0.189 0.000 1.000 323 E CA 1.963 58.264 56.400 -0.165 0.000 0.803 323 E CB -0.079 29.565 29.700 -0.093 0.000 0.750 323 E HN 0.684 nan 8.360 nan 0.000 0.448 324 T N -2.340 112.100 114.554 -0.189 0.000 3.057 324 T HA 0.074 4.424 4.350 -0.001 0.000 0.254 324 T C 0.568 175.178 174.700 -0.150 0.000 1.094 324 T CA 0.489 62.497 62.100 -0.153 0.000 1.088 324 T CB 0.166 68.956 68.868 -0.130 0.000 0.934 324 T HN 0.115 nan 8.240 nan 0.000 0.497 325 E N -0.344 119.719 120.200 -0.228 0.000 2.637 325 E HA -0.150 4.200 4.350 -0.001 0.000 0.265 325 E C -0.671 175.961 176.600 0.052 0.000 1.073 325 E CA 0.397 56.735 56.400 -0.102 0.000 0.778 325 E CB -2.093 27.608 29.700 0.003 0.000 1.362 325 E HN 0.760 nan 8.360 nan 0.000 0.413 326 C N -0.931 118.313 119.300 -0.094 0.000 2.973 326 C HA 0.753 5.212 4.460 -0.001 0.000 0.329 326 C C 0.147 175.147 174.990 0.018 0.000 1.327 326 C CA -0.919 58.154 59.018 0.093 0.000 1.632 326 C CB 1.199 28.956 27.740 0.029 0.000 2.098 326 C HN 0.297 nan 8.230 nan 0.000 0.469 327 I N 1.487 122.138 120.570 0.135 0.000 2.382 327 I HA 0.302 4.471 4.170 -0.001 0.000 0.285 327 I C -0.288 175.802 176.117 -0.044 0.000 1.007 327 I CA 0.361 61.671 61.300 0.017 0.000 1.142 327 I CB 1.396 39.429 38.000 0.055 0.000 1.289 327 I HN 0.620 nan 8.210 nan 0.000 0.453 328 T N 5.981 120.439 114.554 -0.159 0.000 2.753 328 T HA 0.337 4.686 4.350 -0.001 0.000 0.297 328 T C 0.773 175.323 174.700 -0.250 0.000 0.981 328 T CA -0.206 61.824 62.100 -0.116 0.000 0.956 328 T CB 0.738 69.551 68.868 -0.091 0.000 0.936 328 T HN 0.272 nan 8.240 nan 0.000 0.463 329 F N 2.203 122.083 119.950 -0.117 0.000 2.147 329 F HA 0.268 4.794 4.527 -0.001 0.000 0.291 329 F C 0.985 176.614 175.800 -0.285 0.000 1.093 329 F CA 0.437 58.214 58.000 -0.372 0.000 1.263 329 F CB 0.135 38.890 39.000 -0.409 0.000 1.036 329 F HN 0.461 nan 8.300 nan 0.000 0.481 330 L N -4.175 117.142 121.223 0.156 0.000 2.656 330 L HA 0.471 4.810 4.340 -0.001 0.000 0.252 330 L C -0.983 175.993 176.870 0.177 0.000 1.129 330 L CA -1.578 53.345 54.840 0.138 0.000 0.962 330 L CB 0.786 42.950 42.059 0.175 0.000 1.565 330 L HN -0.454 nan 8.230 nan 0.000 0.389 331 K N 0.828 121.312 120.400 0.140 0.000 2.484 331 K HA 0.068 4.388 4.320 -0.001 0.000 0.280 331 K C -0.733 175.934 176.600 0.113 0.000 1.013 331 K CA 0.639 56.981 56.287 0.093 0.000 1.029 331 K CB -0.030 32.507 32.500 0.062 0.000 0.902 331 K HN 0.763 nan 8.250 nan 0.000 0.481 332 D N 0.580 120.969 120.400 -0.018 0.000 3.028 332 D HA -0.186 4.454 4.640 -0.001 0.000 0.207 332 D C -0.785 175.249 176.300 -0.444 0.000 1.100 332 D CA 1.313 55.191 54.000 -0.203 0.000 0.995 332 D CB -1.210 39.452 40.800 -0.232 0.000 1.108 332 D HN 0.420 nan 8.370 nan 0.000 0.421 333 F N 0.921 120.837 119.950 -0.057 0.000 2.564 333 F HA 0.353 4.879 4.527 -0.001 0.000 0.368 333 F C 0.389 176.097 175.800 -0.152 0.000 1.127 333 F CA -0.184 57.768 58.000 -0.079 0.000 1.170 333 F CB 1.486 40.570 39.000 0.139 0.000 1.397 333 F HN -0.356 nan 8.300 nan 0.000 0.493 334 T N 0.036 114.344 114.554 -0.409 0.000 2.906 334 T HA 0.652 5.001 4.350 -0.001 0.000 0.295 334 T C -1.393 172.854 174.700 -0.755 0.000 1.061 334 T CA -0.948 60.944 62.100 -0.347 0.000 1.000 334 T CB 1.948 70.710 68.868 -0.177 0.000 1.103 334 T HN 0.143 nan 8.240 nan 0.000 0.486 335 Y N 0.729 121.091 120.300 0.103 0.000 2.396 335 Y HA 0.555 5.105 4.550 -0.001 0.000 0.332 335 Y C 0.478 176.630 175.900 0.421 0.000 1.034 335 Y CA -0.976 57.260 58.100 0.227 0.000 1.057 335 Y CB 2.110 40.736 38.460 0.277 0.000 1.220 335 Y HN 0.882 nan 8.280 nan 0.000 0.440 336 S N 1.102 117.092 115.700 0.484 0.000 2.767 336 S HA 0.482 4.951 4.470 -0.001 0.000 0.300 336 S C 0.778 175.558 174.600 0.301 0.000 1.123 336 S CA -0.960 57.438 58.200 0.329 0.000 0.992 336 S CB 1.981 65.258 63.200 0.128 0.000 1.138 336 S HN 0.729 nan 8.310 nan 0.000 0.550 337 K N 0.120 120.372 120.400 -0.248 0.000 2.103 337 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 337 K C 1.157 177.787 176.600 0.050 0.000 1.048 337 K CA 1.920 57.947 56.287 -0.432 0.000 0.930 337 K CB -0.339 31.769 32.500 -0.654 0.000 0.716 337 K HN 0.572 nan 8.250 nan 0.000 0.444 338 D N 0.679 121.140 120.400 0.102 0.000 2.084 338 D HA -0.136 4.503 4.640 -0.001 0.000 0.196 338 D C 1.429 177.947 176.300 0.363 0.000 0.985 338 D CA 1.151 55.267 54.000 0.193 0.000 0.826 338 D CB -0.250 40.633 40.800 0.138 0.000 0.978 338 D HN 0.107 nan 8.370 nan 0.000 0.456 339 D N -0.304 120.367 120.400 0.452 0.000 2.149 339 D HA -0.186 4.453 4.640 -0.001 0.000 0.194 339 D C 1.907 178.580 176.300 0.623 0.000 1.001 339 D CA 0.728 55.115 54.000 0.645 0.000 0.849 339 D CB -0.415 40.734 40.800 0.583 0.000 0.939 339 D HN 0.230 nan 8.370 nan 0.000 0.449 340 F N 0.100 120.292 119.950 0.404 0.000 2.134 340 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 340 F C 2.476 178.353 175.800 0.128 0.000 1.097 340 F CA 1.048 59.193 58.000 0.242 0.000 1.264 340 F CB -0.713 38.529 39.000 0.404 0.000 1.001 340 F HN 0.084 nan 8.300 nan 0.000 0.479 341 H N 0.063 119.307 119.070 0.290 0.000 2.387 341 H HA -0.084 4.471 4.556 -0.001 0.000 0.299 341 H C 2.236 177.623 175.328 0.098 0.000 1.090 341 H CA 1.766 57.913 56.048 0.164 0.000 1.332 341 H CB -0.025 29.813 29.762 0.126 0.000 1.386 341 H HN 0.029 nan 8.280 nan 0.000 0.516 342 R N -0.467 120.130 120.500 0.162 0.000 2.189 342 R HA 0.070 4.409 4.340 -0.001 0.000 0.223 342 R C 2.058 178.323 176.300 -0.059 0.000 1.092 342 R CA 0.827 56.957 56.100 0.050 0.000 0.989 342 R CB 0.067 30.446 30.300 0.132 0.000 0.876 342 R HN 0.285 nan 8.270 nan 0.000 0.457 343 A N -0.155 122.606 122.820 -0.100 0.000 2.235 343 A HA 0.247 4.567 4.320 -0.001 0.000 0.208 343 A C 1.432 178.988 177.584 -0.047 0.000 1.172 343 A CA 0.781 52.721 52.037 -0.162 0.000 0.786 343 A CB -0.255 18.336 19.000 -0.683 0.000 0.804 343 A HN 0.430 nan 8.150 nan 0.000 0.479 344 G N -1.462 107.269 108.800 -0.115 0.000 2.194 344 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.236 344 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.236 344 G C 0.123 174.960 174.900 -0.106 0.000 0.987 344 G CA 0.047 45.050 45.100 -0.161 0.000 0.635 344 G HN 0.405 nan 8.290 nan 0.000 0.520 345 L N 1.541 122.770 121.223 0.010 0.000 2.367 345 L HA 0.301 4.641 4.340 -0.001 0.000 0.275 345 L C 1.335 178.318 176.870 0.187 0.000 1.129 345 L CA -0.436 54.510 54.840 0.176 0.000 0.839 345 L CB 0.597 42.882 42.059 0.376 0.000 1.133 345 L HN 0.287 nan 8.230 nan 0.000 0.453 346 Q N 1.067 120.988 119.800 0.201 0.000 2.539 346 Q HA -0.041 4.298 4.340 -0.001 0.000 0.268 346 Q C 1.131 177.303 176.000 0.287 0.000 1.109 346 Q CA -0.190 55.742 55.803 0.215 0.000 0.968 346 Q CB 0.952 29.796 28.738 0.177 0.000 1.309 346 Q HN 0.519 nan 8.270 nan 0.000 0.497 347 V N 1.434 121.488 119.914 0.234 0.000 2.548 347 V HA -0.210 3.909 4.120 -0.001 0.000 0.249 347 V C 1.593 177.782 176.094 0.158 0.000 1.055 347 V CA 1.880 64.283 62.300 0.172 0.000 1.065 347 V CB -0.433 31.455 31.823 0.108 0.000 0.681 347 V HN 0.699 nan 8.190 nan 0.000 0.462 348 E N -0.393 119.906 120.200 0.165 0.000 2.204 348 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 348 E C 1.840 178.586 176.600 0.243 0.000 0.990 348 E CA 1.241 57.735 56.400 0.156 0.000 0.821 348 E CB -0.176 29.594 29.700 0.116 0.000 0.750 348 E HN 0.592 nan 8.360 nan 0.000 0.477 349 F N 0.101 120.113 119.950 0.102 0.000 2.274 349 F HA 0.156 4.682 4.527 -0.001 0.000 0.288 349 F C 1.685 177.584 175.800 0.166 0.000 1.069 349 F CA 0.402 58.478 58.000 0.127 0.000 1.343 349 F CB -0.225 38.867 39.000 0.154 0.000 1.089 349 F HN -0.089 nan 8.300 nan 0.000 0.517 350 I N 0.513 121.180 120.570 0.161 0.000 2.163 350 I HA -0.353 3.816 4.170 -0.001 0.000 0.243 350 I C 2.154 178.312 176.117 0.068 0.000 1.085 350 I CA 1.371 62.704 61.300 0.055 0.000 1.347 350 I CB -0.614 37.464 38.000 0.130 0.000 1.044 350 I HN 0.133 nan 8.210 nan 0.000 0.408 351 N N 0.517 119.260 118.700 0.071 0.000 2.106 351 N HA -0.101 4.639 4.740 -0.001 0.000 0.188 351 N C -0.639 174.917 175.510 0.078 0.000 1.029 351 N CA 1.476 54.565 53.050 0.066 0.000 0.848 351 N CB -1.707 36.803 38.487 0.038 0.000 1.007 351 N HN 0.199 nan 8.380 nan 0.000 0.423 352 P HA -0.109 nan 4.420 nan 0.000 0.216 352 P C 1.470 178.784 177.300 0.023 0.000 1.157 352 P CA 0.846 63.979 63.100 0.056 0.000 0.880 352 P CB 0.033 31.775 31.700 0.070 0.000 0.791 353 I N -1.876 118.647 120.570 -0.078 0.000 2.118 353 I HA -0.230 3.939 4.170 -0.001 0.000 0.241 353 I C 2.217 178.204 176.117 -0.216 0.000 1.070 353 I CA 1.487 62.662 61.300 -0.208 0.000 1.327 353 I CB -1.520 36.218 38.000 -0.436 0.000 1.034 353 I HN -0.126 nan 8.210 nan 0.000 0.405 354 F N 0.400 120.241 119.950 -0.182 0.000 2.259 354 F HA -0.112 4.414 4.527 -0.001 0.000 0.298 354 F C 2.479 178.165 175.800 -0.191 0.000 1.088 354 F CA 1.079 58.964 58.000 -0.192 0.000 1.358 354 F CB -0.452 38.459 39.000 -0.147 0.000 1.040 354 F HN 0.104 nan 8.300 nan 0.000 0.505 355 E N -0.405 119.827 120.200 0.054 0.000 2.072 355 E HA -0.220 4.130 4.350 -0.001 0.000 0.191 355 E C 1.971 178.543 176.600 -0.046 0.000 0.985 355 E CA 1.286 57.688 56.400 0.003 0.000 0.801 355 E CB -0.358 29.366 29.700 0.039 0.000 0.750 355 E HN 0.380 nan 8.360 nan 0.000 0.452 356 F N 1.169 121.032 119.950 -0.146 0.000 2.134 356 F HA -0.226 4.300 4.527 -0.001 0.000 0.299 356 F C 2.168 177.830 175.800 -0.229 0.000 1.097 356 F CA 1.465 59.373 58.000 -0.154 0.000 1.264 356 F CB -0.147 38.779 39.000 -0.123 0.000 1.001 356 F HN -0.099 nan 8.300 nan 0.000 0.479 357 S N 1.187 116.692 115.700 -0.324 0.000 2.356 357 S HA -0.245 4.225 4.470 -0.001 0.000 0.223 357 S C 2.003 176.180 174.600 -0.705 0.000 1.032 357 S CA 1.544 59.395 58.200 -0.581 0.000 1.005 357 S CB -0.578 62.129 63.200 -0.823 0.000 0.867 357 S HN 0.600 nan 8.310 nan 0.000 0.449 358 R N 1.665 121.759 120.500 -0.677 0.000 2.148 358 R HA 0.191 4.530 4.340 -0.001 0.000 0.223 358 R C 2.200 178.307 176.300 -0.322 0.000 1.088 358 R CA 1.078 56.900 56.100 -0.462 0.000 0.985 358 R CB -0.479 29.669 30.300 -0.253 0.000 0.880 358 R HN 0.315 nan 8.270 nan 0.000 0.451 359 A N 1.591 124.217 122.820 -0.324 0.000 1.930 359 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 359 A C 2.199 179.586 177.584 -0.330 0.000 1.175 359 A CA 1.124 52.991 52.037 -0.283 0.000 0.627 359 A CB -0.297 18.549 19.000 -0.256 0.000 0.815 359 A HN 0.238 nan 8.150 nan 0.000 0.443 360 M N -1.007 118.312 119.600 -0.468 0.000 2.159 360 M HA -0.096 4.383 4.480 -0.001 0.000 0.263 360 M C 2.127 178.303 176.300 -0.206 0.000 1.063 360 M CA 1.500 56.565 55.300 -0.391 0.000 1.110 360 M CB -1.082 31.257 32.600 -0.435 0.000 1.374 360 M HN 0.334 nan 8.290 nan 0.000 0.411 361 R N 0.055 120.452 120.500 -0.171 0.000 2.115 361 R HA -0.016 4.323 4.340 -0.001 0.000 0.230 361 R C 2.127 178.368 176.300 -0.098 0.000 1.111 361 R CA 1.222 57.276 56.100 -0.078 0.000 0.976 361 R CB -0.180 30.104 30.300 -0.027 0.000 0.870 361 R HN 0.336 nan 8.270 nan 0.000 0.445 362 R N -0.446 119.970 120.500 -0.140 0.000 2.189 362 R HA 0.006 4.345 4.340 -0.001 0.000 0.218 362 R C 1.921 178.165 176.300 -0.093 0.000 1.074 362 R CA 0.837 56.868 56.100 -0.115 0.000 0.991 362 R CB -0.187 30.039 30.300 -0.124 0.000 0.883 362 R HN 0.230 nan 8.270 nan 0.000 0.457 363 L N -0.185 120.970 121.223 -0.114 0.000 2.217 363 L HA 0.042 4.382 4.340 -0.001 0.000 0.211 363 L C 1.012 177.833 176.870 -0.081 0.000 1.107 363 L CA 0.705 55.483 54.840 -0.103 0.000 0.783 363 L CB -0.354 41.617 42.059 -0.146 0.000 0.919 363 L HN 0.422 nan 8.230 nan 0.000 0.442 364 G N 1.342 110.100 108.800 -0.070 0.000 2.333 364 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.296 364 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.296 364 G C 0.104 174.985 174.900 -0.032 0.000 1.059 364 G CA -0.201 44.882 45.100 -0.027 0.000 1.050 364 G HN 0.189 nan 8.290 nan 0.000 0.508 365 L N 0.558 121.717 121.223 -0.106 0.000 2.426 365 L HA 0.315 4.654 4.340 -0.001 0.000 0.271 365 L C 1.009 177.881 176.870 0.004 0.000 1.169 365 L CA -0.060 54.667 54.840 -0.189 0.000 0.836 365 L CB 0.364 41.994 42.059 -0.715 0.000 1.112 365 L HN 0.601 nan 8.230 nan 0.000 0.465 366 D N 0.388 120.816 120.400 0.048 0.000 2.466 366 D HA 0.089 4.729 4.640 -0.001 0.000 0.262 366 D C 0.393 176.780 176.300 0.145 0.000 1.177 366 D CA -0.599 53.472 54.000 0.118 0.000 1.035 366 D CB 0.702 41.581 40.800 0.131 0.000 1.105 366 D HN 0.327 nan 8.370 nan 0.000 0.551 367 D N -0.381 120.096 120.400 0.128 0.000 2.149 367 D HA -0.132 4.507 4.640 -0.001 0.000 0.198 367 D C 1.958 178.284 176.300 0.043 0.000 0.990 367 D CA 2.026 56.090 54.000 0.106 0.000 0.839 367 D CB -0.614 40.222 40.800 0.060 0.000 0.948 367 D HN 0.536 nan 8.370 nan 0.000 0.460 368 A N 0.981 123.773 122.820 -0.047 0.000 1.902 368 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 368 A C 2.099 179.527 177.584 -0.260 0.000 1.181 368 A CA 1.521 53.430 52.037 -0.214 0.000 0.623 368 A CB -0.515 18.177 19.000 -0.513 0.000 0.818 368 A HN 0.205 nan 8.150 nan 0.000 0.443 369 E N -1.405 118.643 120.200 -0.253 0.000 2.051 369 E HA -0.202 4.147 4.350 -0.001 0.000 0.192 369 E C 1.845 178.381 176.600 -0.106 0.000 0.991 369 E CA 1.471 57.761 56.400 -0.182 0.000 0.799 369 E CB -0.335 29.290 29.700 -0.125 0.000 0.748 369 E HN 0.793 nan 8.360 nan 0.000 0.449 370 Y N 0.622 120.884 120.300 -0.063 0.000 2.128 370 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 370 Y C 2.458 178.314 175.900 -0.073 0.000 1.154 370 Y CA 1.103 59.164 58.100 -0.065 0.000 1.149 370 Y CB -0.161 38.249 38.460 -0.084 0.000 0.976 370 Y HN 0.080 nan 8.280 nan 0.000 0.505 371 A N -0.207 122.671 122.820 0.097 0.000 1.898 371 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 371 A C 2.180 179.827 177.584 0.105 0.000 1.181 371 A CA 1.452 53.531 52.037 0.071 0.000 0.620 371 A CB -1.029 18.035 19.000 0.106 0.000 0.819 371 A HN 0.475 nan 8.150 nan 0.000 0.442 372 L N -0.718 120.549 121.223 0.073 0.000 2.046 372 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 372 L C 2.582 179.506 176.870 0.091 0.000 1.077 372 L CA 0.976 55.882 54.840 0.109 0.000 0.747 372 L CB -0.374 41.738 42.059 0.088 0.000 0.896 372 L HN 0.403 nan 8.230 nan 0.000 0.432 373 L N -0.421 120.840 121.223 0.063 0.000 2.083 373 L HA -0.239 4.100 4.340 -0.001 0.000 0.209 373 L C 2.455 179.354 176.870 0.047 0.000 1.083 373 L CA 1.427 56.302 54.840 0.058 0.000 0.752 373 L CB -0.127 41.947 42.059 0.026 0.000 0.899 373 L HN 0.262 nan 8.230 nan 0.000 0.433 374 I N -0.492 120.102 120.570 0.040 0.000 2.202 374 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 374 I C 2.740 178.839 176.117 -0.029 0.000 1.091 374 I CA 1.177 62.482 61.300 0.008 0.000 1.368 374 I CB -0.394 37.578 38.000 -0.045 0.000 1.058 374 I HN 0.208 nan 8.210 nan 0.000 0.410 375 A N 0.951 123.739 122.820 -0.053 0.000 1.908 375 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 375 A C 2.305 179.770 177.584 -0.198 0.000 1.181 375 A CA 1.584 53.453 52.037 -0.281 0.000 0.627 375 A CB -0.880 17.752 19.000 -0.614 0.000 0.818 375 A HN 0.390 nan 8.150 nan 0.000 0.445 376 I N 0.057 120.618 120.570 -0.015 0.000 2.163 376 I HA -0.288 3.881 4.170 -0.001 0.000 0.243 376 I C 2.556 178.713 176.117 0.067 0.000 1.085 376 I CA 1.532 62.900 61.300 0.113 0.000 1.347 376 I CB -0.479 37.609 38.000 0.147 0.000 1.044 376 I HN 0.479 nan 8.210 nan 0.000 0.408 377 N N 1.723 120.431 118.700 0.015 0.000 2.104 377 N HA -0.201 4.538 4.740 -0.001 0.000 0.190 377 N C 1.933 177.419 175.510 -0.040 0.000 1.024 377 N CA 1.683 54.734 53.050 0.002 0.000 0.853 377 N CB -0.090 38.398 38.487 0.001 0.000 1.008 377 N HN 0.333 nan 8.380 nan 0.000 0.424 378 I N -0.184 120.291 120.570 -0.158 0.000 2.226 378 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 378 I C 0.548 176.529 176.117 -0.227 0.000 1.100 378 I CA 0.903 62.036 61.300 -0.278 0.000 1.374 378 I CB -0.255 37.402 38.000 -0.571 0.000 1.057 378 I HN -0.011 nan 8.210 nan 0.000 0.413 379 F N 1.306 121.300 119.950 0.074 0.000 2.733 379 F HA 0.159 4.685 4.527 -0.001 0.000 0.344 379 F C 0.603 176.449 175.800 0.077 0.000 1.179 379 F CA -0.465 57.589 58.000 0.089 0.000 1.316 379 F CB -0.288 38.773 39.000 0.103 0.000 1.577 379 F HN -0.147 nan 8.300 nan 0.000 0.591 380 S N 0.835 116.641 115.700 0.177 0.000 2.410 380 S HA 0.387 4.857 4.470 -0.001 0.000 0.304 380 S C 1.044 175.715 174.600 0.120 0.000 1.095 380 S CA -0.547 57.730 58.200 0.129 0.000 1.089 380 S CB 1.588 64.837 63.200 0.082 0.000 0.968 380 S HN 0.544 nan 8.310 nan 0.000 0.480 381 A N 2.367 125.253 122.820 0.110 0.000 2.167 381 A HA -0.028 4.291 4.320 -0.001 0.000 0.214 381 A C 1.529 179.153 177.584 0.066 0.000 1.151 381 A CA 0.701 52.792 52.037 0.090 0.000 0.735 381 A CB -0.173 18.874 19.000 0.078 0.000 0.802 381 A HN 0.816 nan 8.150 nan 0.000 0.467 382 D N -0.545 119.891 120.400 0.060 0.000 2.395 382 D HA 0.010 4.649 4.640 -0.001 0.000 0.226 382 D C -0.058 176.269 176.300 0.046 0.000 1.146 382 D CA -0.323 53.705 54.000 0.047 0.000 0.830 382 D CB -0.099 40.726 40.800 0.041 0.000 0.958 382 D HN 0.013 nan 8.370 nan 0.000 0.501 383 R N 1.444 121.977 120.500 0.054 0.000 2.539 383 R HA 0.333 4.673 4.340 -0.001 0.000 0.275 383 R C -2.252 174.076 176.300 0.046 0.000 1.077 383 R CA -2.022 54.110 56.100 0.053 0.000 1.097 383 R CB -0.626 29.712 30.300 0.062 0.000 1.018 383 R HN 0.109 nan 8.270 nan 0.000 0.483 384 P HA 0.048 nan 4.420 nan 0.000 0.265 384 P C -0.202 177.121 177.300 0.038 0.000 1.193 384 P CA 0.213 63.337 63.100 0.039 0.000 0.765 384 P CB 0.392 32.118 31.700 0.042 0.000 0.823 385 N N -1.078 117.641 118.700 0.032 0.000 2.909 385 N HA -0.125 4.614 4.740 -0.001 0.000 0.242 385 N C -0.604 174.921 175.510 0.025 0.000 0.975 385 N CA 0.508 53.574 53.050 0.027 0.000 0.921 385 N CB -1.903 36.601 38.487 0.028 0.000 1.112 385 N HN 0.182 nan 8.380 nan 0.000 0.581 386 V N 2.056 121.988 119.914 0.030 0.000 2.421 386 V HA -0.032 4.088 4.120 -0.001 0.000 0.271 386 V C 1.754 177.861 176.094 0.021 0.000 1.031 386 V CA 0.584 62.902 62.300 0.029 0.000 1.032 386 V CB 1.134 32.982 31.823 0.042 0.000 1.009 386 V HN 0.222 nan 8.190 nan 0.000 0.477 387 Q N 2.873 122.681 119.800 0.013 0.000 2.245 387 Q HA 0.037 4.376 4.340 -0.001 0.000 0.201 387 Q C 0.320 176.324 176.000 0.007 0.000 0.955 387 Q CA 0.866 56.674 55.803 0.008 0.000 0.870 387 Q CB 0.364 29.103 28.738 0.002 0.000 0.945 387 Q HN 0.759 nan 8.270 nan 0.000 0.461 388 E N 0.675 120.880 120.200 0.008 0.000 3.568 388 E HA 0.107 4.456 4.350 -0.001 0.000 0.213 388 E C -2.077 174.533 176.600 0.017 0.000 1.197 388 E CA -1.326 55.078 56.400 0.007 0.000 1.126 388 E CB 1.091 30.789 29.700 -0.004 0.000 1.285 388 E HN 0.155 nan 8.360 nan 0.000 0.418 389 P HA -0.124 nan 4.420 nan 0.000 0.219 389 P C 1.479 178.796 177.300 0.029 0.000 1.150 389 P CA 0.858 63.978 63.100 0.034 0.000 0.814 389 P CB 0.320 32.039 31.700 0.032 0.000 0.787 390 G N 0.898 109.708 108.800 0.018 0.000 2.440 390 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 390 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 390 G C 1.829 176.730 174.900 0.003 0.000 1.154 390 G CA 0.405 45.511 45.100 0.011 0.000 0.767 390 G HN 0.232 nan 8.290 nan 0.000 0.552 391 R N -0.149 120.349 120.500 -0.003 0.000 2.073 391 R HA 0.035 4.374 4.340 -0.001 0.000 0.229 391 R C 2.674 178.955 176.300 -0.030 0.000 1.120 391 R CA 0.976 57.063 56.100 -0.023 0.000 0.967 391 R CB -0.720 29.564 30.300 -0.028 0.000 0.862 391 R HN 0.326 nan 8.270 nan 0.000 0.436 392 V N 1.659 121.581 119.914 0.013 0.000 2.287 392 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 392 V C 2.441 178.570 176.094 0.057 0.000 1.053 392 V CA 2.125 64.464 62.300 0.064 0.000 1.027 392 V CB -0.561 31.343 31.823 0.135 0.000 0.646 392 V HN 0.415 nan 8.190 nan 0.000 0.447 393 E N 0.397 120.630 120.200 0.054 0.000 2.110 393 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 393 E C 2.185 178.803 176.600 0.030 0.000 0.988 393 E CA 1.350 57.785 56.400 0.059 0.000 0.804 393 E CB -0.248 29.482 29.700 0.050 0.000 0.745 393 E HN 0.561 nan 8.360 nan 0.000 0.458 394 A N 0.937 123.753 122.820 -0.006 0.000 1.972 394 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 394 A C 2.168 179.711 177.584 -0.068 0.000 1.169 394 A CA 0.973 52.992 52.037 -0.029 0.000 0.635 394 A CB -0.530 18.448 19.000 -0.037 0.000 0.810 394 A HN 0.328 nan 8.150 nan 0.000 0.446 395 L N -1.070 120.065 121.223 -0.146 0.000 2.141 395 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 395 L C 2.809 179.596 176.870 -0.139 0.000 1.094 395 L CA 1.480 56.128 54.840 -0.319 0.000 0.763 395 L CB -0.394 41.173 42.059 -0.821 0.000 0.908 395 L HN 0.559 nan 8.230 nan 0.000 0.437 396 Q N -0.004 119.825 119.800 0.049 0.000 2.083 396 Q HA -0.261 4.078 4.340 -0.001 0.000 0.198 396 Q C 2.218 178.364 176.000 0.243 0.000 0.969 396 Q CA 1.448 57.420 55.803 0.280 0.000 0.838 396 Q CB 0.038 28.929 28.738 0.255 0.000 0.900 396 Q HN 0.482 nan 8.270 nan 0.000 0.436 397 Q N 0.280 120.151 119.800 0.118 0.000 2.062 397 Q HA -0.163 4.176 4.340 -0.001 0.000 0.209 397 Q C -0.905 175.125 176.000 0.051 0.000 0.996 397 Q CA 2.178 58.031 55.803 0.083 0.000 0.859 397 Q CB -0.651 28.108 28.738 0.036 0.000 0.920 397 Q HN 0.347 nan 8.270 nan 0.000 0.415 398 P HA -0.188 nan 4.420 nan 0.000 0.216 398 P C 0.635 177.834 177.300 -0.167 0.000 1.150 398 P CA 1.499 64.508 63.100 -0.151 0.000 0.837 398 P CB -0.310 31.212 31.700 -0.296 0.000 0.786 399 Y N -0.252 120.099 120.300 0.084 0.000 2.200 399 Y HA -0.135 4.414 4.550 -0.001 0.000 0.290 399 Y C 2.663 178.634 175.900 0.119 0.000 1.137 399 Y CA 0.656 58.824 58.100 0.114 0.000 1.163 399 Y CB -1.402 37.164 38.460 0.177 0.000 0.988 399 Y HN -0.272 nan 8.280 nan 0.000 0.518 400 V N 0.330 120.410 119.914 0.277 0.000 2.287 400 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 400 V C 2.040 178.222 176.094 0.146 0.000 1.053 400 V CA 2.156 64.610 62.300 0.257 0.000 1.027 400 V CB -0.587 31.384 31.823 0.248 0.000 0.646 400 V HN 0.433 nan 8.190 nan 0.000 0.447 401 E N 0.155 120.400 120.200 0.075 0.000 2.085 401 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 401 E C 2.316 178.900 176.600 -0.026 0.000 0.994 401 E CA 1.375 57.775 56.400 -0.000 0.000 0.801 401 E CB -0.338 29.355 29.700 -0.012 0.000 0.743 401 E HN 0.612 nan 8.360 nan 0.000 0.453 402 A N 1.048 123.871 122.820 0.004 0.000 1.930 402 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 402 A C 2.128 179.738 177.584 0.043 0.000 1.175 402 A CA 0.940 52.990 52.037 0.022 0.000 0.627 402 A CB -0.400 18.617 19.000 0.028 0.000 0.815 402 A HN 0.207 nan 8.150 nan 0.000 0.443 403 L N -0.796 120.455 121.223 0.046 0.000 2.072 403 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 403 L C 2.188 178.935 176.870 -0.205 0.000 1.079 403 L CA 1.764 56.627 54.840 0.038 0.000 0.752 403 L CB -0.693 41.478 42.059 0.188 0.000 0.906 403 L HN 0.338 nan 8.230 nan 0.000 0.436 404 L N -0.843 120.075 121.223 -0.509 0.000 1.989 404 L HA -0.204 4.135 4.340 -0.001 0.000 0.211 404 L C 2.499 179.147 176.870 -0.371 0.000 1.071 404 L CA 2.243 56.557 54.840 -0.877 0.000 0.749 404 L CB -1.164 40.506 42.059 -0.648 0.000 0.890 404 L HN 0.315 nan 8.230 nan 0.000 0.431 405 S N -1.569 114.024 115.700 -0.177 0.000 2.359 405 S HA -0.252 4.217 4.470 -0.001 0.000 0.224 405 S C 1.861 176.438 174.600 -0.039 0.000 1.035 405 S CA 1.584 59.733 58.200 -0.085 0.000 1.018 405 S CB -0.723 62.455 63.200 -0.036 0.000 0.876 405 S HN 0.644 nan 8.310 nan 0.000 0.448 406 Y N 2.653 122.892 120.300 -0.100 0.000 2.128 406 Y HA -0.245 4.304 4.550 -0.001 0.000 0.284 406 Y C 2.869 178.734 175.900 -0.059 0.000 1.154 406 Y CA 2.047 60.114 58.100 -0.056 0.000 1.149 406 Y CB -0.817 37.628 38.460 -0.024 0.000 0.976 406 Y HN 0.422 nan 8.280 nan 0.000 0.505 407 T N -1.693 112.911 114.554 0.083 0.000 2.867 407 T HA -0.137 4.213 4.350 -0.001 0.000 0.268 407 T C 2.043 176.706 174.700 -0.062 0.000 1.057 407 T CA 1.157 63.272 62.100 0.025 0.000 1.136 407 T CB -0.410 68.501 68.868 0.070 0.000 0.874 407 T HN 0.307 nan 8.240 nan 0.000 0.466 408 R N 0.362 120.803 120.500 -0.098 0.000 2.081 408 R HA 0.062 4.401 4.340 -0.001 0.000 0.235 408 R C 2.372 178.614 176.300 -0.096 0.000 1.131 408 R CA 1.436 57.484 56.100 -0.087 0.000 0.960 408 R CB -0.431 29.814 30.300 -0.091 0.000 0.856 408 R HN 0.453 nan 8.270 nan 0.000 0.436 409 I N 0.462 120.949 120.570 -0.139 0.000 2.233 409 I HA -0.242 3.928 4.170 -0.001 0.000 0.243 409 I C 2.551 178.557 176.117 -0.186 0.000 1.093 409 I CA 1.135 62.339 61.300 -0.159 0.000 1.380 409 I CB -0.165 37.722 38.000 -0.189 0.000 1.067 409 I HN 0.098 nan 8.210 nan 0.000 0.413 410 K N 0.872 121.111 120.400 -0.267 0.000 1.985 410 K HA -0.084 4.235 4.320 -0.001 0.000 0.210 410 K C 0.380 176.915 176.600 -0.108 0.000 1.047 410 K CA 1.241 57.393 56.287 -0.225 0.000 0.932 410 K CB 0.238 32.582 32.500 -0.260 0.000 0.716 410 K HN 0.045 nan 8.250 nan 0.000 0.439 411 R N 0.608 121.063 120.500 -0.075 0.000 2.587 411 R HA 0.183 4.522 4.340 -0.001 0.000 0.283 411 R C -2.284 173.997 176.300 -0.031 0.000 1.472 411 R CA -1.588 54.490 56.100 -0.037 0.000 1.578 411 R CB 1.202 31.495 30.300 -0.012 0.000 1.130 411 R HN 0.272 nan 8.270 nan 0.000 0.602 412 P HA -0.100 nan 4.420 nan 0.000 0.223 412 P C 0.287 177.577 177.300 -0.017 0.000 1.151 412 P CA 0.944 64.025 63.100 -0.032 0.000 0.787 412 P CB 0.535 32.213 31.700 -0.036 0.000 0.788 413 Q N -0.265 119.527 119.800 -0.013 0.000 2.268 413 Q HA 0.171 4.510 4.340 -0.001 0.000 0.289 413 Q C -0.511 175.489 176.000 -0.000 0.000 0.893 413 Q CA -0.005 55.795 55.803 -0.006 0.000 1.057 413 Q CB 0.136 28.869 28.738 -0.008 0.000 1.173 413 Q HN -0.008 nan 8.270 nan 0.000 0.449 414 D N -0.355 120.048 120.400 0.005 0.000 2.517 414 D HA 0.100 4.739 4.640 -0.001 0.000 0.263 414 D C 0.199 176.517 176.300 0.031 0.000 1.233 414 D CA -0.049 53.959 54.000 0.014 0.000 0.849 414 D CB 0.629 41.435 40.800 0.010 0.000 1.261 414 D HN -0.010 nan 8.370 nan 0.000 0.516 415 Q N 0.932 120.751 119.800 0.033 0.000 2.369 415 Q HA 0.116 4.455 4.340 -0.001 0.000 0.206 415 Q C 1.451 177.495 176.000 0.073 0.000 0.963 415 Q CA 0.755 56.589 55.803 0.052 0.000 0.894 415 Q CB 0.586 29.347 28.738 0.040 0.000 0.965 415 Q HN 0.541 nan 8.270 nan 0.000 0.475 416 L N -0.308 120.945 121.223 0.050 0.000 2.567 416 L HA 0.074 4.414 4.340 -0.001 0.000 0.225 416 L C 2.256 179.151 176.870 0.041 0.000 1.119 416 L CA 0.055 54.919 54.840 0.039 0.000 0.871 416 L CB -0.152 41.915 42.059 0.013 0.000 1.036 416 L HN 0.178 nan 8.230 nan 0.000 0.459 417 R N 0.739 121.276 120.500 0.062 0.000 2.094 417 R HA -0.270 4.069 4.340 -0.001 0.000 0.239 417 R C 2.334 178.700 176.300 0.111 0.000 1.137 417 R CA 2.173 58.313 56.100 0.066 0.000 0.943 417 R CB -0.458 29.887 30.300 0.074 0.000 0.850 417 R HN 0.208 nan 8.270 nan 0.000 0.433 418 F N 1.693 121.644 119.950 0.001 0.000 2.075 418 F HA 0.022 4.548 4.527 -0.001 0.000 0.297 418 F C -1.168 174.636 175.800 0.006 0.000 1.113 418 F CA 0.742 58.748 58.000 0.009 0.000 1.218 418 F CB -1.142 37.872 39.000 0.023 0.000 0.984 418 F HN 0.065 nan 8.300 nan 0.000 0.472 419 P HA -0.189 nan 4.420 nan 0.000 0.216 419 P C 1.529 178.718 177.300 -0.185 0.000 1.150 419 P CA 2.090 65.035 63.100 -0.258 0.000 0.843 419 P CB -0.208 31.437 31.700 -0.091 0.000 0.787 420 R N -1.308 119.130 120.500 -0.103 0.000 2.092 420 R HA 0.002 4.341 4.340 -0.001 0.000 0.231 420 R C 2.363 178.605 176.300 -0.096 0.000 1.119 420 R CA 1.371 57.423 56.100 -0.080 0.000 0.970 420 R CB -0.599 29.668 30.300 -0.055 0.000 0.864 420 R HN 0.274 nan 8.270 nan 0.000 0.440 421 M N 0.343 119.877 119.600 -0.110 0.000 2.099 421 M HA -0.149 4.330 4.480 -0.001 0.000 0.262 421 M C 2.177 178.409 176.300 -0.114 0.000 1.067 421 M CA 1.607 56.846 55.300 -0.102 0.000 1.124 421 M CB -0.227 32.341 32.600 -0.054 0.000 1.353 421 M HN 0.118 nan 8.290 nan 0.000 0.410 422 L N -0.451 120.643 121.223 -0.214 0.000 2.131 422 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 422 L C 2.573 179.386 176.870 -0.096 0.000 1.092 422 L CA 0.716 55.447 54.840 -0.182 0.000 0.759 422 L CB -0.639 41.236 42.059 -0.307 0.000 0.903 422 L HN 0.399 nan 8.230 nan 0.000 0.435 423 M N -0.407 119.138 119.600 -0.090 0.000 2.279 423 M HA -0.136 4.343 4.480 -0.001 0.000 0.264 423 M C 2.073 178.378 176.300 0.008 0.000 1.062 423 M CA 1.383 56.658 55.300 -0.041 0.000 1.099 423 M CB -0.733 31.841 32.600 -0.043 0.000 1.394 423 M HN 0.164 nan 8.290 nan 0.000 0.426 424 K N 0.572 120.986 120.400 0.025 0.000 2.217 424 K HA 0.046 4.365 4.320 -0.001 0.000 0.202 424 K C 2.021 178.708 176.600 0.145 0.000 1.051 424 K CA 0.766 57.134 56.287 0.134 0.000 0.952 424 K CB -0.495 32.074 32.500 0.114 0.000 0.736 424 K HN 0.409 nan 8.250 nan 0.000 0.453 425 L N 0.717 121.979 121.223 0.064 0.000 2.079 425 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 425 L C 2.366 179.248 176.870 0.021 0.000 1.081 425 L CA 0.857 55.720 54.840 0.039 0.000 0.752 425 L CB -0.869 41.203 42.059 0.021 0.000 0.896 425 L HN -0.129 nan 8.230 nan 0.000 0.433 426 V N -0.689 119.236 119.914 0.018 0.000 2.261 426 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 426 V C 2.579 178.677 176.094 0.007 0.000 1.047 426 V CA 2.171 64.477 62.300 0.010 0.000 1.015 426 V CB -0.620 31.208 31.823 0.008 0.000 0.642 426 V HN 0.390 nan 8.190 nan 0.000 0.446 427 S N 0.055 115.774 115.700 0.031 0.000 2.383 427 S HA -0.125 4.345 4.470 -0.001 0.000 0.229 427 S C 1.920 176.466 174.600 -0.090 0.000 1.030 427 S CA 1.448 59.658 58.200 0.018 0.000 1.002 427 S CB -0.430 62.854 63.200 0.140 0.000 0.829 427 S HN 0.458 nan 8.310 nan 0.000 0.467 428 L N 0.976 122.129 121.223 -0.116 0.000 2.131 428 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 428 L C 2.716 179.517 176.870 -0.116 0.000 1.092 428 L CA 0.887 55.601 54.840 -0.209 0.000 0.759 428 L CB -0.351 41.622 42.059 -0.144 0.000 0.903 428 L HN 0.185 nan 8.230 nan 0.000 0.435 429 R N -0.558 119.909 120.500 -0.056 0.000 2.073 429 R HA -0.096 4.243 4.340 -0.001 0.000 0.234 429 R C 2.228 178.509 176.300 -0.032 0.000 1.134 429 R CA 1.717 57.799 56.100 -0.030 0.000 0.952 429 R CB -1.301 28.993 30.300 -0.011 0.000 0.850 429 R HN 0.300 nan 8.270 nan 0.000 0.433 430 T N 2.155 116.689 114.554 -0.034 0.000 2.746 430 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 430 T C 1.799 176.483 174.700 -0.026 0.000 1.039 430 T CA 0.841 62.926 62.100 -0.025 0.000 1.142 430 T CB -0.119 68.740 68.868 -0.015 0.000 0.866 430 T HN -0.035 nan 8.240 nan 0.000 0.444 431 L N 1.182 122.368 121.223 -0.061 0.000 2.083 431 L HA 0.002 4.341 4.340 -0.001 0.000 0.209 431 L C 2.716 179.594 176.870 0.013 0.000 1.083 431 L CA 1.310 56.127 54.840 -0.038 0.000 0.752 431 L CB -1.630 40.318 42.059 -0.186 0.000 0.899 431 L HN 0.235 nan 8.230 nan 0.000 0.433 432 S N -1.002 114.680 115.700 -0.030 0.000 2.370 432 S HA -0.188 4.281 4.470 -0.001 0.000 0.226 432 S C 2.212 176.804 174.600 -0.014 0.000 1.033 432 S CA 1.749 59.938 58.200 -0.018 0.000 1.011 432 S CB -0.005 63.185 63.200 -0.017 0.000 0.852 432 S HN 0.528 nan 8.310 nan 0.000 0.457 433 S N 0.711 116.398 115.700 -0.023 0.000 2.356 433 S HA -0.060 4.409 4.470 -0.001 0.000 0.223 433 S C 1.912 176.469 174.600 -0.071 0.000 1.032 433 S CA 1.361 59.535 58.200 -0.044 0.000 1.005 433 S CB -0.567 62.612 63.200 -0.035 0.000 0.867 433 S HN 0.421 nan 8.310 nan 0.000 0.449 434 V N 2.109 122.003 119.914 -0.034 0.000 2.469 434 V HA -0.218 3.901 4.120 -0.001 0.000 0.251 434 V C 2.349 178.323 176.094 -0.200 0.000 1.064 434 V CA 1.887 64.170 62.300 -0.029 0.000 1.066 434 V CB -0.855 31.032 31.823 0.106 0.000 0.667 434 V HN 0.643 nan 8.190 nan 0.000 0.461 435 H N 0.168 119.032 119.070 -0.343 0.000 2.326 435 H HA -0.122 4.434 4.556 -0.001 0.000 0.301 435 H C 2.425 177.412 175.328 -0.568 0.000 1.081 435 H CA 1.821 57.404 56.048 -0.775 0.000 1.334 435 H CB 0.112 29.546 29.762 -0.547 0.000 1.385 435 H HN 0.424 nan 8.280 nan 0.000 0.504 436 S N 0.536 115.981 115.700 -0.425 0.000 2.400 436 S HA -0.138 4.331 4.470 -0.001 0.000 0.232 436 S C 1.896 176.344 174.600 -0.254 0.000 1.025 436 S CA 1.429 59.437 58.200 -0.321 0.000 0.993 436 S CB -0.131 62.993 63.200 -0.126 0.000 0.808 436 S HN 0.555 nan 8.310 nan 0.000 0.478 437 E N 0.525 120.575 120.200 -0.250 0.000 2.152 437 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 437 E C 2.175 178.687 176.600 -0.147 0.000 0.983 437 E CA 0.780 57.077 56.400 -0.171 0.000 0.818 437 E CB -0.090 29.520 29.700 -0.150 0.000 0.758 437 E HN 0.324 nan 8.360 nan 0.000 0.467 438 Q N 0.771 120.371 119.800 -0.334 0.000 2.079 438 Q HA -0.127 4.213 4.340 -0.001 0.000 0.200 438 Q C 2.029 177.892 176.000 -0.229 0.000 0.974 438 Q CA 1.332 56.948 55.803 -0.311 0.000 0.840 438 Q CB -0.110 28.261 28.738 -0.613 0.000 0.898 438 Q HN 0.116 nan 8.270 nan 0.000 0.430 439 V N 0.488 120.202 119.914 -0.332 0.000 2.358 439 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 439 V C 2.032 178.112 176.094 -0.023 0.000 1.047 439 V CA 1.937 64.137 62.300 -0.167 0.000 1.035 439 V CB -0.770 30.937 31.823 -0.192 0.000 0.658 439 V HN 0.490 nan 8.190 nan 0.000 0.452 440 F N 1.321 121.186 119.950 -0.142 0.000 2.186 440 F HA -0.071 4.455 4.527 -0.001 0.000 0.299 440 F C 2.248 177.998 175.800 -0.083 0.000 1.090 440 F CA 1.349 59.296 58.000 -0.088 0.000 1.307 440 F CB -0.212 38.739 39.000 -0.082 0.000 1.019 440 F HN 0.077 nan 8.300 nan 0.000 0.489 441 A N 0.471 123.409 122.820 0.196 0.000 2.014 441 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 441 A C 2.175 179.723 177.584 -0.060 0.000 1.163 441 A CA 1.343 53.434 52.037 0.089 0.000 0.652 441 A CB -0.946 18.099 19.000 0.075 0.000 0.808 441 A HN 0.516 nan 8.150 nan 0.000 0.449 442 L N -1.171 119.994 121.223 -0.096 0.000 2.109 442 L HA -0.092 4.247 4.340 -0.001 0.000 0.207 442 L C 2.741 179.501 176.870 -0.183 0.000 1.086 442 L CA 0.693 55.431 54.840 -0.171 0.000 0.760 442 L CB -0.370 41.584 42.059 -0.176 0.000 0.910 442 L HN 0.286 nan 8.230 nan 0.000 0.437 443 R N -0.107 120.291 120.500 -0.170 0.000 2.139 443 R HA -0.183 4.156 4.340 -0.001 0.000 0.243 443 R C 2.116 178.292 176.300 -0.206 0.000 1.145 443 R CA 1.235 57.221 56.100 -0.190 0.000 0.976 443 R CB -0.603 29.547 30.300 -0.250 0.000 0.866 443 R HN 0.264 nan 8.270 nan 0.000 0.449 444 L N 1.003 122.094 121.223 -0.220 0.000 2.201 444 L HA -0.147 4.193 4.340 -0.001 0.000 0.212 444 L C 1.544 178.339 176.870 -0.125 0.000 1.105 444 L CA 1.602 56.340 54.840 -0.169 0.000 0.775 444 L CB -0.201 41.781 42.059 -0.128 0.000 0.913 444 L HN 0.131 nan 8.230 nan 0.000 0.440 445 Q N -0.008 119.709 119.800 -0.138 0.000 2.242 445 Q HA 0.069 4.408 4.340 -0.001 0.000 0.246 445 Q C -0.264 175.654 176.000 -0.137 0.000 0.883 445 Q CA 0.301 56.024 55.803 -0.134 0.000 0.984 445 Q CB -0.202 28.439 28.738 -0.161 0.000 1.096 445 Q HN 0.535 nan 8.270 nan 0.000 0.452 446 D N 0.222 120.551 120.400 -0.119 0.000 2.713 446 D HA -0.226 4.413 4.640 -0.001 0.000 0.231 446 D C -0.811 175.427 176.300 -0.103 0.000 1.173 446 D CA 0.956 54.898 54.000 -0.097 0.000 0.628 446 D CB -1.035 39.724 40.800 -0.068 0.000 1.033 446 D HN 0.178 nan 8.370 nan 0.000 0.419 447 K N 0.809 121.112 120.400 -0.161 0.000 2.356 447 K HA 0.236 4.555 4.320 -0.001 0.000 0.243 447 K C 0.104 176.673 176.600 -0.052 0.000 1.072 447 K CA -0.648 55.513 56.287 -0.211 0.000 1.014 447 K CB 0.866 32.989 32.500 -0.628 0.000 1.523 447 K HN 0.256 nan 8.250 nan 0.000 0.455 448 K N 1.925 122.362 120.400 0.062 0.000 2.185 448 K HA 0.278 4.597 4.320 -0.001 0.000 0.271 448 K C 0.316 177.050 176.600 0.223 0.000 1.013 448 K CA -0.524 55.825 56.287 0.104 0.000 0.943 448 K CB 0.985 33.521 32.500 0.060 0.000 0.998 448 K HN 0.245 nan 8.250 nan 0.000 0.468 449 L N 4.688 126.036 121.223 0.207 0.000 2.453 449 L HA 0.114 4.453 4.340 -0.001 0.000 0.272 449 L C -1.572 175.373 176.870 0.124 0.000 1.182 449 L CA -1.548 53.419 54.840 0.212 0.000 0.858 449 L CB 0.010 42.206 42.059 0.228 0.000 1.120 449 L HN 0.488 nan 8.230 nan 0.000 0.474 450 P HA 0.195 nan 4.420 nan 0.000 0.274 450 P C -2.340 174.967 177.300 0.012 0.000 1.256 450 P CA -1.581 61.542 63.100 0.038 0.000 0.795 450 P CB 0.242 31.948 31.700 0.010 0.000 1.038 451 P HA -0.117 nan 4.420 nan 0.000 0.216 451 P C 1.760 179.031 177.300 -0.048 0.000 1.153 451 P CA 1.494 64.582 63.100 -0.019 0.000 0.858 451 P CB -0.149 31.539 31.700 -0.020 0.000 0.789 452 L N -1.931 119.252 121.223 -0.067 0.000 2.201 452 L HA -0.106 4.233 4.340 -0.001 0.000 0.212 452 L C 2.196 178.960 176.870 -0.177 0.000 1.105 452 L CA 1.070 55.845 54.840 -0.109 0.000 0.775 452 L CB -0.537 41.458 42.059 -0.107 0.000 0.913 452 L HN 0.009 nan 8.230 nan 0.000 0.440 453 L N -2.389 118.739 121.223 -0.158 0.000 2.416 453 L HA 0.011 4.350 4.340 -0.001 0.000 0.216 453 L C 2.561 179.344 176.870 -0.145 0.000 1.098 453 L CA 0.125 54.806 54.840 -0.264 0.000 0.840 453 L CB -0.141 41.873 42.059 -0.075 0.000 0.981 453 L HN 0.051 nan 8.230 nan 0.000 0.462 454 S N 0.218 115.898 115.700 -0.032 0.000 2.368 454 S HA -0.176 4.294 4.470 -0.001 0.000 0.224 454 S C 1.782 176.375 174.600 -0.013 0.000 1.029 454 S CA 1.317 59.533 58.200 0.026 0.000 0.988 454 S CB -0.019 63.201 63.200 0.033 0.000 0.838 454 S HN 0.406 nan 8.310 nan 0.000 0.462 455 E N 0.414 120.577 120.200 -0.062 0.000 2.136 455 E HA -0.205 4.144 4.350 -0.001 0.000 0.202 455 E C 1.824 178.369 176.600 -0.091 0.000 1.019 455 E CA 1.741 58.099 56.400 -0.069 0.000 0.819 455 E CB -0.275 29.372 29.700 -0.089 0.000 0.739 455 E HN 0.598 nan 8.360 nan 0.000 0.458 456 I N -1.481 118.963 120.570 -0.210 0.000 2.494 456 I HA -0.106 4.064 4.170 -0.001 0.000 0.250 456 I C 1.640 177.715 176.117 -0.071 0.000 1.112 456 I CA 0.544 61.658 61.300 -0.310 0.000 1.438 456 I CB -0.038 37.464 38.000 -0.830 0.000 1.111 456 I HN 0.164 nan 8.210 nan 0.000 0.431 457 W N 1.061 122.402 121.300 0.068 0.000 2.865 457 W HA 0.175 4.834 4.660 -0.001 0.000 0.300 457 W C 0.361 176.919 176.519 0.063 0.000 1.096 457 W CA -0.402 56.996 57.345 0.089 0.000 1.524 457 W CB -0.213 29.339 29.460 0.153 0.000 0.991 457 W HN 0.198 nan 8.180 nan 0.000 0.571 458 D N 0.000 120.550 120.400 0.251 0.000 6.856 458 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 458 D CA 0.000 54.098 54.000 0.164 0.000 0.868 458 D CB 0.000 40.880 40.800 0.133 0.000 0.688 458 D HN 0.000 nan 8.370 nan 0.000 0.683