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 2obr_1_A DATA FIRST_RESID 225 DATA SEQUENCE KPFTVPILTV EEMSNSRFPI PLEKLYTGPS SAFVVQPQNG RCTTDGVLLG DATA SEQUENCE TTQLSAVNIC TFRGDVTHIX XXXDYIMNLA SQNWNNYDPT EEIPAPLGTP DATA SEQUENCE DFVGKIQGML TQTTREDGST RAHKATVSTG SVHFTPKLGS VQYTTDXXXD DATA SEQUENCE LQTGQNTKFT PVGVIQXXXN HQNEPQQWVL PNYSGRTGHN VHLAPAVAPT DATA SEQUENCE FPGEQLLFFR STMPGCSGYP NMNLDCLLPQ EWVQHFYQEA APAQSDVALL DATA SEQUENCE RFVNPDTGRV LFECKLHKSG YVTVAHTGPH DLVIPPNGYF RFDSWVNQFY DATA SEQUENCE TLAPMG 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 225 K HA 0.000 nan 4.320 nan 0.000 0.191 225 K C 0.000 176.653 176.600 0.088 0.000 0.988 225 K CA 0.000 56.311 56.287 0.040 0.000 0.838 225 K CB 0.000 32.512 32.500 0.020 0.000 1.064 226 P HA 0.172 nan 4.420 nan 0.000 0.280 226 P C -0.826 176.556 177.300 0.136 0.000 1.244 226 P CA -0.372 62.827 63.100 0.165 0.000 0.784 226 P CB 0.299 32.087 31.700 0.148 0.000 0.913 227 F N 3.199 123.093 119.950 -0.094 0.000 2.429 227 F HA 0.384 4.823 4.527 -0.146 0.000 0.348 227 F C 0.442 175.922 175.800 -0.535 0.000 1.109 227 F CA 0.721 58.455 58.000 -0.444 0.000 1.232 227 F CB 0.673 39.135 39.000 -0.896 0.000 1.157 227 F HN 0.456 nan 8.300 nan 0.000 0.564 228 T N 2.911 116.767 114.554 -1.164 0.000 2.792 228 T HA 0.639 4.902 4.350 -0.145 0.000 0.303 228 T C -1.361 172.884 174.700 -0.759 0.000 1.310 228 T CA -0.932 60.756 62.100 -0.687 0.000 1.007 228 T CB 1.183 69.956 68.868 -0.160 0.000 1.335 228 T HN 0.651 nan 8.240 nan 0.000 0.504 229 V N 1.703 121.336 119.914 -0.468 0.000 2.914 229 V HA 0.779 4.812 4.120 -0.145 0.000 0.314 229 V C -2.497 173.228 176.094 -0.615 0.000 1.084 229 V CA -2.507 59.425 62.300 -0.613 0.000 0.963 229 V CB 2.161 33.513 31.823 -0.785 0.000 1.025 229 V HN 0.985 nan 8.190 nan 0.000 0.432 230 P HA 0.276 nan 4.420 nan 0.000 0.275 230 P C -0.635 176.527 177.300 -0.231 0.000 1.228 230 P CA -0.057 62.694 63.100 -0.582 0.000 0.786 230 P CB 0.695 32.080 31.700 -0.525 0.000 0.927 231 I N 3.004 123.418 120.570 -0.260 0.000 2.213 231 I HA 0.164 4.247 4.170 -0.145 0.000 0.295 231 I C 0.335 176.332 176.117 -0.201 0.000 1.172 231 I CA 0.574 61.663 61.300 -0.351 0.000 1.443 231 I CB -0.839 36.825 38.000 -0.559 0.000 1.491 231 I HN 0.088 nan 8.210 nan 0.000 0.652 232 L N 2.709 123.942 121.223 0.016 0.000 2.388 232 L HA 0.535 4.787 4.340 -0.145 0.000 0.264 232 L C 0.295 177.309 176.870 0.241 0.000 0.998 232 L CA -0.678 54.214 54.840 0.085 0.000 0.817 232 L CB 2.365 44.484 42.059 0.100 0.000 1.338 232 L HN 0.170 nan 8.230 nan 0.000 0.414 233 T N -0.078 114.596 114.554 0.199 0.000 2.874 233 T HA 0.242 4.505 4.350 -0.145 0.000 0.281 233 T C 1.208 176.083 174.700 0.292 0.000 0.994 233 T CA -0.478 61.777 62.100 0.258 0.000 1.015 233 T CB 1.457 70.425 68.868 0.168 0.000 1.028 233 T HN 0.327 nan 8.240 nan 0.000 0.523 234 V N 2.982 123.116 119.914 0.366 0.000 2.255 234 V HA -0.142 3.891 4.120 -0.145 0.000 0.247 234 V C 2.463 178.675 176.094 0.197 0.000 1.051 234 V CA 1.985 64.484 62.300 0.331 0.000 1.018 234 V CB -0.647 31.392 31.823 0.359 0.000 0.641 234 V HN 0.888 nan 8.190 nan 0.000 0.445 235 E N -0.218 120.080 120.200 0.163 0.000 2.333 235 E HA -0.227 4.036 4.350 -0.145 0.000 0.198 235 E C 1.927 178.577 176.600 0.083 0.000 1.007 235 E CA 1.007 57.471 56.400 0.107 0.000 0.845 235 E CB -0.142 29.611 29.700 0.090 0.000 0.766 235 E HN 0.700 nan 8.360 nan 0.000 0.507 236 E N -0.085 120.171 120.200 0.093 0.000 2.481 236 E HA 0.052 4.315 4.350 -0.145 0.000 0.195 236 E C 0.629 177.259 176.600 0.051 0.000 1.047 236 E CA 0.112 56.550 56.400 0.063 0.000 0.867 236 E CB 0.287 30.023 29.700 0.060 0.000 0.858 236 E HN 0.200 nan 8.360 nan 0.000 0.513 237 M N -0.202 119.435 119.600 0.061 0.000 2.649 237 M HA 0.285 4.678 4.480 -0.145 0.000 0.294 237 M C -0.120 176.181 176.300 0.001 0.000 1.206 237 M CA -0.435 54.876 55.300 0.018 0.000 0.928 237 M CB 1.899 34.491 32.600 -0.014 0.000 1.571 237 M HN -0.242 nan 8.290 nan 0.000 0.501 238 S N 0.612 116.291 115.700 -0.036 0.000 2.536 238 S HA 0.364 4.747 4.470 -0.145 0.000 0.298 238 S C -0.667 173.906 174.600 -0.044 0.000 1.083 238 S CA -1.003 57.181 58.200 -0.026 0.000 0.995 238 S CB 1.378 64.559 63.200 -0.031 0.000 1.058 238 S HN 0.623 nan 8.310 nan 0.000 0.488 239 N N 1.453 120.155 118.700 0.004 0.000 2.513 239 N HA 0.025 4.677 4.740 -0.145 0.000 0.268 239 N C 0.842 176.360 175.510 0.012 0.000 1.180 239 N CA 0.058 53.123 53.050 0.024 0.000 0.948 239 N CB 1.021 39.561 38.487 0.088 0.000 1.083 239 N HN 0.695 nan 8.380 nan 0.000 0.455 240 S N 3.008 118.708 115.700 0.001 0.000 2.605 240 S HA 0.193 4.575 4.470 -0.145 0.000 0.217 240 S C 0.938 175.574 174.600 0.060 0.000 0.958 240 S CA -0.030 58.173 58.200 0.005 0.000 0.919 240 S CB 0.152 63.341 63.200 -0.018 0.000 0.780 240 S HN 0.650 nan 8.310 nan 0.000 0.507 241 R N -0.651 119.920 120.500 0.118 0.000 2.476 241 R HA 0.449 4.702 4.340 -0.145 0.000 0.276 241 R C -1.117 175.379 176.300 0.326 0.000 0.941 241 R CA -0.003 56.214 56.100 0.195 0.000 1.088 241 R CB 0.631 31.053 30.300 0.204 0.000 1.216 241 R HN 0.428 nan 8.270 nan 0.000 0.533 242 F N 1.396 121.386 119.950 0.067 0.000 2.635 242 F HA 0.266 4.751 4.527 -0.070 0.000 0.314 242 F C -2.482 173.327 175.800 0.015 0.000 1.119 242 F CA -2.459 55.581 58.000 0.067 0.000 1.000 242 F CB 2.092 41.136 39.000 0.075 0.000 1.278 242 F HN -0.215 nan 8.300 nan 0.000 0.446 243 P HA 0.180 nan 4.420 nan 0.000 0.238 243 P C -0.881 176.370 177.300 -0.082 0.000 1.729 243 P CA 0.713 63.679 63.100 -0.223 0.000 1.055 243 P CB -0.568 30.945 31.700 -0.312 0.000 1.980 244 I N -1.666 118.933 120.570 0.050 0.000 2.994 244 I HA 0.684 4.766 4.170 -0.145 0.000 0.306 244 I C -2.949 173.205 176.117 0.061 0.000 1.195 244 I CA -3.497 57.855 61.300 0.087 0.000 1.001 244 I CB 2.698 40.815 38.000 0.195 0.000 1.244 244 I HN -0.220 nan 8.210 nan 0.000 0.437 245 P HA 0.266 nan 4.420 nan 0.000 0.274 245 P C -0.623 176.708 177.300 0.052 0.000 1.237 245 P CA -0.285 62.837 63.100 0.038 0.000 0.793 245 P CB 1.190 32.909 31.700 0.032 0.000 0.977 246 L N 1.657 122.913 121.223 0.055 0.000 2.452 246 L HA 0.075 4.328 4.340 -0.145 0.000 0.267 246 L C 1.681 178.599 176.870 0.080 0.000 1.188 246 L CA 0.413 55.302 54.840 0.082 0.000 0.821 246 L CB 0.068 42.193 42.059 0.110 0.000 1.102 246 L HN 0.509 nan 8.230 nan 0.000 0.470 247 E N 0.786 121.034 120.200 0.080 0.000 2.475 247 E HA 0.103 4.366 4.350 -0.145 0.000 0.205 247 E C -0.420 176.219 176.600 0.064 0.000 0.822 247 E CA -0.049 56.386 56.400 0.058 0.000 1.240 247 E CB 0.900 30.616 29.700 0.026 0.000 1.222 247 E HN 0.550 nan 8.360 nan 0.000 0.581 248 K N 0.323 120.764 120.400 0.068 0.000 2.466 248 K HA 0.531 4.764 4.320 -0.145 0.000 0.277 248 K C -1.406 175.229 176.600 0.057 0.000 1.039 248 K CA -0.779 55.537 56.287 0.048 0.000 0.904 248 K CB 1.384 33.878 32.500 -0.010 0.000 1.506 248 K HN -0.113 nan 8.250 nan 0.000 0.441 249 L N 1.558 122.775 121.223 -0.010 0.000 2.329 249 L HA 0.564 4.817 4.340 -0.145 0.000 0.279 249 L C -1.367 175.481 176.870 -0.038 0.000 1.014 249 L CA -1.038 53.755 54.840 -0.079 0.000 0.814 249 L CB 1.386 43.349 42.059 -0.160 0.000 1.257 249 L HN 0.645 nan 8.230 nan 0.000 0.424 250 Y N 1.845 122.052 120.300 -0.156 0.000 2.571 250 Y HA 0.629 5.091 4.550 -0.147 0.000 0.341 250 Y C -0.918 174.971 175.900 -0.018 0.000 1.076 250 Y CA -1.049 56.964 58.100 -0.145 0.000 1.029 250 Y CB 2.416 40.799 38.460 -0.129 0.000 1.308 250 Y HN 0.488 nan 8.280 nan 0.000 0.461 251 T N 2.717 116.817 114.554 -0.756 0.000 3.041 251 T HA 0.774 5.037 4.350 -0.145 0.000 0.321 251 T C -0.987 173.314 174.700 -0.666 0.000 1.184 251 T CA 0.199 61.986 62.100 -0.521 0.000 1.050 251 T CB 0.864 69.636 68.868 -0.161 0.000 1.159 251 T HN 1.272 nan 8.240 nan 0.000 0.469 252 G N 3.378 111.925 108.800 -0.421 0.000 2.721 252 G HA2 0.788 4.661 3.960 -0.145 0.000 0.296 252 G HA3 0.788 4.661 3.960 -0.145 0.000 0.296 252 G C -3.217 171.691 174.900 0.014 0.000 1.383 252 G CA -1.113 43.883 45.100 -0.173 0.000 0.788 252 G HN 0.602 nan 8.290 nan 0.000 0.500 253 P HA 0.242 nan 4.420 nan 0.000 0.276 253 P C 0.312 177.670 177.300 0.097 0.000 1.235 253 P CA 0.070 63.209 63.100 0.065 0.000 0.772 253 P CB 2.086 33.809 31.700 0.038 0.000 0.871 254 S N 2.192 117.941 115.700 0.082 0.000 2.355 254 S HA -0.090 4.293 4.470 -0.145 0.000 0.216 254 S C 1.922 176.514 174.600 -0.014 0.000 1.037 254 S CA 1.047 59.300 58.200 0.088 0.000 0.955 254 S CB -0.802 62.432 63.200 0.057 0.000 0.877 254 S HN 0.570 nan 8.310 nan 0.000 0.488 255 S N 2.139 117.812 115.700 -0.045 0.000 2.636 255 S HA -0.397 3.986 4.470 -0.145 0.000 0.344 255 S C 1.906 176.412 174.600 -0.158 0.000 1.333 255 S CA 1.852 60.000 58.200 -0.087 0.000 1.176 255 S CB -1.207 61.944 63.200 -0.083 0.000 1.291 255 S HN 0.746 nan 8.310 nan 0.000 0.453 256 A N 0.524 123.154 122.820 -0.316 0.000 2.168 256 A HA 0.344 4.576 4.320 -0.145 0.000 0.215 256 A C 0.750 178.043 177.584 -0.484 0.000 1.152 256 A CA 0.552 52.324 52.037 -0.441 0.000 0.716 256 A CB -0.351 18.297 19.000 -0.588 0.000 0.794 256 A HN 0.426 nan 8.150 nan 0.000 0.465 257 F N -2.684 117.237 119.950 -0.049 0.000 2.461 257 F HA 0.408 4.850 4.527 -0.141 0.000 0.337 257 F C 1.476 177.237 175.800 -0.065 0.000 1.079 257 F CA -0.850 57.112 58.000 -0.063 0.000 1.032 257 F CB 1.235 40.090 39.000 -0.241 0.000 1.327 257 F HN -0.165 nan 8.300 nan 0.000 0.491 258 V N -0.764 119.301 119.914 0.252 0.000 2.484 258 V HA -0.011 4.022 4.120 -0.145 0.000 0.236 258 V C 0.276 176.406 176.094 0.061 0.000 1.062 258 V CA 0.103 62.494 62.300 0.151 0.000 1.081 258 V CB -0.257 31.695 31.823 0.215 0.000 0.751 258 V HN 0.569 nan 8.190 nan 0.000 0.484 259 V N 2.327 122.298 119.914 0.094 0.000 6.244 259 V HA -0.172 3.860 4.120 -0.145 0.000 0.295 259 V C 0.204 176.388 176.094 0.151 0.000 0.550 259 V CA 0.573 62.874 62.300 0.002 0.000 0.756 259 V CB -1.251 30.372 31.823 -0.334 0.000 0.665 259 V HN 0.732 nan 8.190 nan 0.000 0.592 260 Q N 1.231 121.212 119.800 0.301 0.000 2.158 260 Q HA 0.234 4.487 4.340 -0.145 0.000 0.306 260 Q C -2.116 174.052 176.000 0.279 0.000 0.878 260 Q CA -1.204 54.733 55.803 0.223 0.000 1.136 260 Q CB 1.517 30.369 28.738 0.190 0.000 1.253 260 Q HN 0.656 nan 8.270 nan 0.000 0.441 261 P HA 0.011 nan 4.420 nan 0.000 0.268 261 P C 0.332 177.770 177.300 0.229 0.000 1.205 261 P CA 0.241 63.527 63.100 0.310 0.000 0.771 261 P CB 1.119 33.038 31.700 0.366 0.000 0.858 262 Q N 0.769 120.697 119.800 0.214 0.000 2.378 262 Q HA 0.158 4.410 4.340 -0.145 0.000 0.216 262 Q C 0.161 176.233 176.000 0.120 0.000 0.892 262 Q CA 0.619 56.523 55.803 0.169 0.000 0.931 262 Q CB 0.097 28.948 28.738 0.188 0.000 1.086 262 Q HN 0.507 nan 8.270 nan 0.000 0.528 263 N N 0.109 118.885 118.700 0.126 0.000 2.487 263 N HA 0.340 4.993 4.740 -0.145 0.000 0.292 263 N C 0.419 175.991 175.510 0.103 0.000 1.108 263 N CA 0.648 53.752 53.050 0.090 0.000 0.956 263 N CB 1.494 40.032 38.487 0.085 0.000 1.176 263 N HN 0.232 nan 8.380 nan 0.000 0.484 264 G N 1.195 110.040 108.800 0.075 0.000 2.198 264 G HA2 -0.237 3.636 3.960 -0.145 0.000 0.257 264 G HA3 -0.237 3.636 3.960 -0.145 0.000 0.257 264 G C -0.388 174.584 174.900 0.120 0.000 1.042 264 G CA -0.150 44.996 45.100 0.077 0.000 0.791 264 G HN 0.399 nan 8.290 nan 0.000 0.502 265 R N -0.454 120.121 120.500 0.125 0.000 2.337 265 R HA 0.688 4.941 4.340 -0.145 0.000 0.319 265 R C -0.445 175.953 176.300 0.164 0.000 0.954 265 R CA -0.637 55.553 56.100 0.150 0.000 0.840 265 R CB 0.690 31.069 30.300 0.131 0.000 1.164 265 R HN 0.521 nan 8.270 nan 0.000 0.472 266 C N 1.402 120.834 119.300 0.220 0.000 2.985 266 C HA 0.500 4.872 4.460 -0.145 0.000 0.332 266 C C 0.103 175.260 174.990 0.278 0.000 1.164 266 C CA -0.208 58.963 59.018 0.256 0.000 1.347 266 C CB 2.217 30.152 27.740 0.326 0.000 1.764 266 C HN 0.851 nan 8.230 nan 0.000 0.489 267 T N 3.034 117.714 114.554 0.210 0.000 2.907 267 T HA 0.212 4.474 4.350 -0.145 0.000 0.298 267 T C 1.534 176.286 174.700 0.087 0.000 1.017 267 T CA 0.754 62.933 62.100 0.131 0.000 1.118 267 T CB 1.131 70.050 68.868 0.085 0.000 0.948 267 T HN 0.933 nan 8.240 nan 0.000 0.531 268 T N -0.554 113.925 114.554 -0.125 0.000 3.113 268 T HA -0.082 4.181 4.350 -0.145 0.000 0.263 268 T C 1.375 175.830 174.700 -0.409 0.000 1.143 268 T CA 0.730 62.440 62.100 -0.649 0.000 1.090 268 T CB 0.013 68.377 68.868 -0.840 0.000 0.922 268 T HN 0.621 nan 8.240 nan 0.000 0.521 269 D N 1.235 121.539 120.400 -0.160 0.000 2.289 269 D HA 0.080 4.633 4.640 -0.145 0.000 0.207 269 D C 1.651 177.959 176.300 0.013 0.000 0.966 269 D CA 1.127 55.077 54.000 -0.084 0.000 0.868 269 D CB -0.126 40.625 40.800 -0.082 0.000 0.943 269 D HN 0.622 nan 8.370 nan 0.000 0.514 270 G N 0.167 109.024 108.800 0.094 0.000 2.273 270 G HA2 -0.185 3.688 3.960 -0.145 0.000 0.162 270 G HA3 -0.185 3.688 3.960 -0.145 0.000 0.162 270 G C 0.126 175.123 174.900 0.160 0.000 1.006 270 G CA 0.080 45.270 45.100 0.150 0.000 0.704 270 G HN 0.192 nan 8.290 nan 0.000 0.487 271 V N 3.120 123.114 119.914 0.134 0.000 2.389 271 V HA 0.445 4.477 4.120 -0.145 0.000 0.264 271 V C 1.030 177.220 176.094 0.159 0.000 1.049 271 V CA -0.381 61.997 62.300 0.129 0.000 0.932 271 V CB 1.026 32.898 31.823 0.083 0.000 1.011 271 V HN 0.321 nan 8.190 nan 0.000 0.475 272 L N 6.635 127.963 121.223 0.175 0.000 2.416 272 L HA 0.414 4.667 4.340 -0.145 0.000 0.272 272 L C -0.104 176.829 176.870 0.105 0.000 1.161 272 L CA 0.165 55.092 54.840 0.145 0.000 0.845 272 L CB 0.428 42.559 42.059 0.120 0.000 1.119 272 L HN 0.476 nan 8.230 nan 0.000 0.464 273 L N 1.756 123.039 121.223 0.101 0.000 2.286 273 L HA 0.812 5.065 4.340 -0.145 0.000 0.265 273 L C 0.983 177.897 176.870 0.074 0.000 1.012 273 L CA -0.622 54.270 54.840 0.087 0.000 0.818 273 L CB 1.284 43.402 42.059 0.099 0.000 1.337 273 L HN 0.785 nan 8.230 nan 0.000 0.438 274 G N 0.928 109.772 108.800 0.073 0.000 2.611 274 G HA2 -0.353 3.520 3.960 -0.145 0.000 0.301 274 G HA3 -0.353 3.520 3.960 -0.145 0.000 0.301 274 G C 0.552 175.460 174.900 0.013 0.000 1.233 274 G CA 0.550 45.688 45.100 0.063 0.000 0.993 274 G HN 0.987 nan 8.290 nan 0.000 0.553 275 T N -2.201 112.350 114.554 -0.005 0.000 3.214 275 T HA 0.505 4.768 4.350 -0.145 0.000 0.264 275 T C 0.637 175.318 174.700 -0.032 0.000 1.012 275 T CA 1.009 63.077 62.100 -0.054 0.000 0.901 275 T CB 0.090 68.888 68.868 -0.117 0.000 1.070 275 T HN 0.719 nan 8.240 nan 0.000 0.561 276 T N 3.993 118.546 114.554 -0.002 0.000 2.779 276 T HA 0.383 4.646 4.350 -0.145 0.000 0.296 276 T C 0.042 174.721 174.700 -0.034 0.000 0.938 276 T CA -0.422 61.676 62.100 -0.003 0.000 1.119 276 T CB 0.741 69.631 68.868 0.037 0.000 0.891 276 T HN 0.684 nan 8.240 nan 0.000 0.526 277 Q N 2.650 122.411 119.800 -0.065 0.000 2.495 277 Q HA 0.634 4.887 4.340 -0.145 0.000 0.283 277 Q C 0.524 176.444 176.000 -0.133 0.000 1.097 277 Q CA -0.929 54.811 55.803 -0.106 0.000 0.836 277 Q CB 0.722 29.397 28.738 -0.105 0.000 1.426 277 Q HN 0.419 nan 8.270 nan 0.000 0.459 278 L N -0.491 120.617 121.223 -0.192 0.000 2.209 278 L HA 0.141 4.394 4.340 -0.145 0.000 0.207 278 L C 0.885 177.674 176.870 -0.135 0.000 1.094 278 L CA 0.369 55.087 54.840 -0.202 0.000 0.790 278 L CB -0.027 41.840 42.059 -0.320 0.000 0.932 278 L HN 0.646 nan 8.230 nan 0.000 0.447 279 S N -0.088 115.538 115.700 -0.123 0.000 2.510 279 S HA 0.344 4.726 4.470 -0.145 0.000 0.279 279 S C 1.062 175.603 174.600 -0.098 0.000 1.284 279 S CA 0.030 58.169 58.200 -0.102 0.000 1.059 279 S CB 1.509 64.649 63.200 -0.101 0.000 0.901 279 S HN 0.271 nan 8.310 nan 0.000 0.491 280 A N 4.296 127.065 122.820 -0.086 0.000 2.072 280 A HA 0.052 4.285 4.320 -0.145 0.000 0.216 280 A C 1.877 179.398 177.584 -0.105 0.000 1.156 280 A CA 1.103 53.090 52.037 -0.085 0.000 0.701 280 A CB -0.535 18.424 19.000 -0.067 0.000 0.816 280 A HN 1.147 nan 8.150 nan 0.000 0.458 281 V N -2.721 117.130 119.914 -0.105 0.000 3.129 281 V HA -0.004 4.028 4.120 -0.145 0.000 0.259 281 V C 1.135 177.137 176.094 -0.153 0.000 1.116 281 V CA 1.789 64.015 62.300 -0.123 0.000 1.127 281 V CB -1.018 30.748 31.823 -0.096 0.000 0.742 281 V HN 0.537 nan 8.190 nan 0.000 0.474 282 N N 0.292 118.903 118.700 -0.149 0.000 2.322 282 N HA 0.353 5.005 4.740 -0.145 0.000 0.194 282 N C 0.069 175.456 175.510 -0.204 0.000 1.126 282 N CA -0.173 52.773 53.050 -0.175 0.000 0.845 282 N CB 0.147 38.538 38.487 -0.159 0.000 0.976 282 N HN 0.468 nan 8.380 nan 0.000 0.475 283 I N 0.806 121.259 120.570 -0.195 0.000 2.452 283 I HA -0.058 4.025 4.170 -0.145 0.000 0.287 283 I C 0.571 176.531 176.117 -0.263 0.000 1.079 283 I CA -0.013 61.172 61.300 -0.193 0.000 1.387 283 I CB 0.487 38.407 38.000 -0.132 0.000 1.404 283 I HN 0.263 nan 8.210 nan 0.000 0.522 284 C N 3.430 122.564 119.300 -0.277 0.000 4.657 284 C HA -0.137 4.236 4.460 -0.145 0.000 0.259 284 C C 1.003 175.797 174.990 -0.328 0.000 1.235 284 C CA 0.822 59.672 59.018 -0.281 0.000 1.733 284 C CB -3.000 24.656 27.740 -0.140 0.000 1.495 284 C HN 0.952 nan 8.230 nan 0.000 0.704 285 T N -1.851 112.457 114.554 -0.410 0.000 2.943 285 T HA 0.787 5.050 4.350 -0.145 0.000 0.284 285 T C -0.808 173.640 174.700 -0.420 0.000 1.015 285 T CA -0.424 61.529 62.100 -0.245 0.000 1.042 285 T CB 1.812 70.563 68.868 -0.195 0.000 1.055 285 T HN 0.283 nan 8.240 nan 0.000 0.500 286 F N -0.005 120.063 119.950 0.198 0.000 2.569 286 F HA 0.616 5.063 4.527 -0.134 0.000 0.312 286 F C 0.503 176.330 175.800 0.045 0.000 1.109 286 F CA -1.152 56.916 58.000 0.112 0.000 0.919 286 F CB 2.495 41.621 39.000 0.210 0.000 1.211 286 F HN 0.432 nan 8.300 nan 0.000 0.446 287 R N 1.104 121.638 120.500 0.057 0.000 2.892 287 R HA 0.929 5.181 4.340 -0.145 0.000 0.265 287 R C -0.224 176.108 176.300 0.052 0.000 1.025 287 R CA -1.129 54.879 56.100 -0.153 0.000 0.982 287 R CB 2.265 31.987 30.300 -0.964 0.000 1.185 287 R HN 0.913 nan 8.270 nan 0.000 0.484 288 G N 0.575 109.541 108.800 0.277 0.000 2.320 288 G HA2 -0.017 3.855 3.960 -0.145 0.000 0.274 288 G HA3 -0.017 3.855 3.960 -0.145 0.000 0.274 288 G C -1.801 173.278 174.900 0.298 0.000 1.324 288 G CA -0.859 44.413 45.100 0.288 0.000 0.957 288 G HN 0.485 nan 8.290 nan 0.000 0.481 289 D N -0.919 119.605 120.400 0.206 0.000 2.385 289 D HA 0.660 5.213 4.640 -0.145 0.000 0.254 289 D C -0.534 175.865 176.300 0.166 0.000 1.053 289 D CA -0.307 53.793 54.000 0.168 0.000 0.992 289 D CB 2.465 43.342 40.800 0.129 0.000 1.145 289 D HN 0.578 nan 8.370 nan 0.000 0.523 290 V N -0.222 119.794 119.914 0.170 0.000 3.007 290 V HA 0.630 4.663 4.120 -0.145 0.000 0.311 290 V C -1.233 174.991 176.094 0.216 0.000 1.120 290 V CA -0.370 62.063 62.300 0.222 0.000 0.980 290 V CB 2.318 34.299 31.823 0.263 0.000 1.033 290 V HN 0.828 nan 8.190 nan 0.000 0.429 291 T N 1.022 115.694 114.554 0.197 0.000 2.879 291 T HA 0.466 4.729 4.350 -0.145 0.000 0.290 291 T C -0.598 174.046 174.700 -0.093 0.000 0.993 291 T CA -0.408 61.738 62.100 0.077 0.000 0.975 291 T CB 0.900 69.782 68.868 0.023 0.000 0.981 291 T HN 0.910 nan 8.240 nan 0.000 0.439 292 H N 3.393 122.214 119.070 -0.415 0.000 2.764 292 H HA 0.384 4.853 4.556 -0.145 0.000 0.341 292 H C -0.096 174.939 175.328 -0.489 0.000 1.072 292 H CA -0.533 54.948 56.048 -0.944 0.000 1.444 292 H CB 0.502 29.853 29.762 -0.685 0.000 1.458 292 H HN 0.535 nan 8.280 nan 0.000 0.572 299 Y N 0.822 121.220 120.300 0.164 0.000 2.513 299 Y HA 0.540 5.006 4.550 -0.140 0.000 0.340 299 Y C -0.533 175.468 175.900 0.170 0.000 1.055 299 Y CA -0.669 57.538 58.100 0.179 0.000 1.020 299 Y CB 1.992 40.559 38.460 0.178 0.000 1.301 299 Y HN -0.155 nan 8.280 nan 0.000 0.453 300 I N 4.517 125.240 120.570 0.255 0.000 2.441 300 I HA 0.444 4.527 4.170 -0.145 0.000 0.295 300 I C -0.741 175.499 176.117 0.205 0.000 0.994 300 I CA -0.837 60.556 61.300 0.154 0.000 1.144 300 I CB 1.821 39.835 38.000 0.024 0.000 1.314 300 I HN 0.531 nan 8.210 nan 0.000 0.445 301 M N 7.032 126.742 119.600 0.183 0.000 2.078 301 M HA 0.370 4.762 4.480 -0.145 0.000 0.320 301 M C -1.120 175.219 176.300 0.065 0.000 0.969 301 M CA -0.586 54.828 55.300 0.190 0.000 0.929 301 M CB 0.702 33.515 32.600 0.355 0.000 1.504 301 M HN 0.454 nan 8.290 nan 0.000 0.419 302 N N 6.737 125.478 118.700 0.069 0.000 2.399 302 N HA 0.205 4.858 4.740 -0.145 0.000 0.259 302 N C -0.588 174.950 175.510 0.045 0.000 1.160 302 N CA 0.007 53.077 53.050 0.034 0.000 0.946 302 N CB 0.698 39.217 38.487 0.054 0.000 1.156 302 N HN 0.706 nan 8.380 nan 0.000 0.489 303 L N 1.518 122.724 121.223 -0.027 0.000 2.506 303 L HA 0.096 4.349 4.340 -0.145 0.000 0.281 303 L C 1.031 177.919 176.870 0.029 0.000 1.228 303 L CA 0.127 54.942 54.840 -0.042 0.000 0.850 303 L CB 0.192 42.110 42.059 -0.236 0.000 1.110 303 L HN 0.483 nan 8.230 nan 0.000 0.496 304 A N 2.049 124.897 122.820 0.047 0.000 2.387 304 A HA 0.768 5.001 4.320 -0.145 0.000 0.298 304 A C -0.304 177.295 177.584 0.026 0.000 1.165 304 A CA -0.509 51.583 52.037 0.092 0.000 0.814 304 A CB 1.427 20.507 19.000 0.134 0.000 1.357 304 A HN 0.689 nan 8.150 nan 0.000 0.443 305 S N -0.241 115.485 115.700 0.044 0.000 2.652 305 S HA 0.254 4.637 4.470 -0.145 0.000 0.270 305 S C 0.713 175.209 174.600 -0.174 0.000 1.243 305 S CA -0.583 57.614 58.200 -0.005 0.000 0.999 305 S CB 0.785 64.013 63.200 0.047 0.000 0.973 305 S HN 0.636 nan 8.310 nan 0.000 0.544 306 Q N 1.882 121.571 119.800 -0.185 0.000 2.118 306 Q HA -0.244 4.009 4.340 -0.145 0.000 0.211 306 Q C 1.502 177.286 176.000 -0.361 0.000 0.998 306 Q CA 2.222 57.849 55.803 -0.294 0.000 0.872 306 Q CB -0.951 27.676 28.738 -0.186 0.000 0.925 306 Q HN 1.001 nan 8.270 nan 0.000 0.414 307 N N -1.178 117.429 118.700 -0.155 0.000 2.575 307 N HA -0.160 4.493 4.740 -0.145 0.000 0.192 307 N C -0.361 175.233 175.510 0.141 0.000 1.200 307 N CA 0.628 53.668 53.050 -0.016 0.000 0.897 307 N CB -0.524 37.987 38.487 0.040 0.000 0.990 307 N HN 0.431 nan 8.380 nan 0.000 0.449 308 W N -1.777 119.544 121.300 0.036 0.000 1.814 308 W HA -0.236 4.334 4.660 -0.150 0.000 0.259 308 W C -0.205 176.341 176.519 0.045 0.000 1.042 308 W CA 0.105 57.475 57.345 0.041 0.000 0.450 308 W CB -2.321 27.157 29.460 0.030 0.000 2.061 308 W HN 0.080 nan 8.180 nan 0.000 1.213 309 N N 0.879 119.693 118.700 0.190 0.000 2.448 309 N HA 0.186 4.839 4.740 -0.145 0.000 0.274 309 N C 0.339 175.924 175.510 0.126 0.000 1.239 309 N CA -1.052 52.084 53.050 0.142 0.000 0.982 309 N CB 0.118 38.660 38.487 0.092 0.000 1.199 309 N HN -0.135 nan 8.380 nan 0.000 0.576 310 N N 0.786 119.547 118.700 0.101 0.000 2.294 310 N HA -0.151 4.502 4.740 -0.145 0.000 0.248 310 N C -0.839 174.738 175.510 0.111 0.000 1.242 310 N CA 0.844 53.952 53.050 0.097 0.000 0.848 310 N CB 0.162 38.681 38.487 0.053 0.000 1.084 310 N HN 0.424 nan 8.380 nan 0.000 0.457 311 Y N 1.165 121.477 120.300 0.018 0.000 2.304 311 Y HA 0.144 4.608 4.550 -0.143 0.000 0.328 311 Y C -0.246 175.653 175.900 -0.002 0.000 1.123 311 Y CA -0.925 57.176 58.100 0.003 0.000 1.218 311 Y CB 0.744 39.206 38.460 0.003 0.000 1.207 311 Y HN 0.394 nan 8.280 nan 0.000 0.495 312 D N 7.926 127.866 120.400 -0.767 0.000 2.472 312 D HA 0.361 4.913 4.640 -0.145 0.000 0.234 312 D C -2.306 173.445 176.300 -0.914 0.000 1.088 312 D CA -2.567 51.060 54.000 -0.622 0.000 0.882 312 D CB 1.540 42.158 40.800 -0.303 0.000 1.037 312 D HN 0.345 nan 8.370 nan 0.000 0.520 313 P HA 0.008 nan 4.420 nan 0.000 0.242 313 P C 1.127 178.312 177.300 -0.192 0.000 1.197 313 P CA 0.429 63.275 63.100 -0.423 0.000 0.765 313 P CB 0.491 32.116 31.700 -0.125 0.000 0.936 314 T N -0.683 113.747 114.554 -0.207 0.000 2.812 314 T HA -0.037 4.225 4.350 -0.145 0.000 0.264 314 T C 0.679 175.314 174.700 -0.107 0.000 1.042 314 T CA 0.504 62.534 62.100 -0.116 0.000 1.140 314 T CB -0.456 68.350 68.868 -0.104 0.000 0.870 314 T HN 0.245 nan 8.240 nan 0.000 0.445 315 E N 1.745 121.859 120.200 -0.145 0.000 2.537 315 E HA -0.070 4.193 4.350 -0.145 0.000 0.269 315 E C -0.135 176.338 176.600 -0.211 0.000 1.038 315 E CA 0.511 56.823 56.400 -0.146 0.000 0.977 315 E CB 0.276 29.895 29.700 -0.136 0.000 0.973 315 E HN 0.501 nan 8.360 nan 0.000 0.456 316 E N 2.164 122.179 120.200 -0.309 0.000 2.325 316 E HA 0.158 4.421 4.350 -0.145 0.000 0.295 316 E C -0.136 175.971 176.600 -0.821 0.000 1.461 316 E CA -0.073 55.863 56.400 -0.774 0.000 1.698 316 E CB -0.495 28.884 29.700 -0.535 0.000 1.496 316 E HN 0.310 nan 8.360 nan 0.000 0.474 317 I N -3.942 116.355 120.570 -0.454 0.000 2.785 317 I HA 0.448 4.531 4.170 -0.145 0.000 0.302 317 I C -2.410 173.679 176.117 -0.045 0.000 1.069 317 I CA -3.179 58.010 61.300 -0.185 0.000 1.045 317 I CB 2.154 40.086 38.000 -0.113 0.000 1.236 317 I HN -0.214 nan 8.210 nan 0.000 0.429 318 P HA -0.000 nan 4.420 nan 0.000 0.218 318 P C 0.107 177.245 177.300 -0.270 0.000 1.148 318 P CA 1.448 64.513 63.100 -0.058 0.000 0.822 318 P CB 0.222 31.840 31.700 -0.136 0.000 0.784 319 A N -4.026 118.609 122.820 -0.309 0.000 2.456 319 A HA 0.499 4.732 4.320 -0.145 0.000 0.294 319 A C -3.011 174.502 177.584 -0.118 0.000 1.057 319 A CA -1.154 50.737 52.037 -0.244 0.000 0.623 319 A CB -0.202 18.474 19.000 -0.541 0.000 1.338 319 A HN -0.328 nan 8.150 nan 0.000 0.464 320 P HA 0.170 nan 4.420 nan 0.000 0.261 320 P C -0.346 176.913 177.300 -0.069 0.000 1.173 320 P CA 0.386 63.490 63.100 0.006 0.000 0.760 320 P CB 0.087 31.757 31.700 -0.051 0.000 0.783 321 L N 2.864 124.054 121.223 -0.056 0.000 2.578 321 L HA -0.012 4.240 4.340 -0.145 0.000 0.279 321 L C 1.784 178.590 176.870 -0.107 0.000 1.227 321 L CA 1.150 55.943 54.840 -0.078 0.000 0.900 321 L CB -0.871 41.147 42.059 -0.068 0.000 1.144 321 L HN 0.842 nan 8.230 nan 0.000 0.496 322 G N 1.924 110.662 108.800 -0.104 0.000 2.195 322 G HA2 -0.255 3.618 3.960 -0.145 0.000 0.246 322 G HA3 -0.255 3.618 3.960 -0.145 0.000 0.246 322 G C 0.437 175.245 174.900 -0.154 0.000 0.984 322 G CA 0.158 45.180 45.100 -0.130 0.000 0.633 322 G HN 0.579 nan 8.290 nan 0.000 0.525 323 T N 4.047 118.532 114.554 -0.115 0.000 2.906 323 T HA 0.415 4.678 4.350 -0.145 0.000 0.320 323 T C -1.712 173.030 174.700 0.070 0.000 1.088 323 T CA 0.273 62.367 62.100 -0.010 0.000 1.120 323 T CB 1.100 70.032 68.868 0.106 0.000 1.000 323 T HN 0.255 nan 8.240 nan 0.000 0.550 324 P HA 0.145 nan 4.420 nan 0.000 0.269 324 P C -0.266 177.004 177.300 -0.050 0.000 1.209 324 P CA -0.147 62.889 63.100 -0.107 0.000 0.776 324 P CB 0.443 31.966 31.700 -0.296 0.000 0.876 325 D N 1.491 121.784 120.400 -0.180 0.000 2.891 325 D HA 0.228 4.781 4.640 -0.145 0.000 0.332 325 D C -0.499 175.831 176.300 0.049 0.000 1.369 325 D CA -0.481 53.555 54.000 0.059 0.000 0.827 325 D CB -0.733 40.191 40.800 0.208 0.000 1.141 325 D HN 0.248 nan 8.370 nan 0.000 0.464 326 F N -2.178 117.781 119.950 0.015 0.000 2.686 326 F HA 0.663 5.095 4.527 -0.158 0.000 0.311 326 F C -1.424 174.314 175.800 -0.103 0.000 1.128 326 F CA -1.709 56.249 58.000 -0.070 0.000 0.946 326 F CB 0.912 39.822 39.000 -0.150 0.000 1.336 326 F HN -0.252 nan 8.300 nan 0.000 0.457 327 V N 1.916 121.933 119.914 0.171 0.000 2.364 327 V HA 0.857 4.890 4.120 -0.145 0.000 0.272 327 V C 0.304 176.476 176.094 0.130 0.000 1.036 327 V CA 0.371 62.692 62.300 0.036 0.000 0.880 327 V CB 0.221 32.042 31.823 -0.004 0.000 0.991 327 V HN 1.300 nan 8.190 nan 0.000 0.460 328 G N 4.253 113.097 108.800 0.072 0.000 2.451 328 G HA2 0.450 4.323 3.960 -0.145 0.000 0.292 328 G HA3 0.450 4.323 3.960 -0.145 0.000 0.292 328 G C -1.618 173.302 174.900 0.032 0.000 1.427 328 G CA -1.003 44.155 45.100 0.097 0.000 0.792 328 G HN 0.484 nan 8.290 nan 0.000 0.498 329 K N 0.456 120.880 120.400 0.040 0.000 2.234 329 K HA 0.513 4.746 4.320 -0.145 0.000 0.277 329 K C -0.559 176.104 176.600 0.106 0.000 1.038 329 K CA -0.308 56.000 56.287 0.035 0.000 0.888 329 K CB 1.857 34.370 32.500 0.023 0.000 1.091 329 K HN 0.301 nan 8.250 nan 0.000 0.467 330 I N 3.348 124.012 120.570 0.156 0.000 2.328 330 I HA 0.109 4.191 4.170 -0.145 0.000 0.287 330 I C 0.067 176.399 176.117 0.358 0.000 1.012 330 I CA -0.727 60.749 61.300 0.293 0.000 1.195 330 I CB 1.404 39.666 38.000 0.436 0.000 1.350 330 I HN 0.563 nan 8.210 nan 0.000 0.464 331 Q N 4.981 124.956 119.800 0.292 0.000 2.299 331 Q HA 0.668 4.921 4.340 -0.145 0.000 0.246 331 Q C -0.069 176.141 176.000 0.349 0.000 0.935 331 Q CA -0.127 55.853 55.803 0.295 0.000 0.887 331 Q CB 1.642 30.479 28.738 0.166 0.000 1.223 331 Q HN 0.850 nan 8.270 nan 0.000 0.439 332 G N 1.940 110.954 108.800 0.355 0.000 2.604 332 G HA2 0.475 4.348 3.960 -0.145 0.000 0.242 332 G HA3 0.475 4.348 3.960 -0.145 0.000 0.242 332 G C -1.582 173.364 174.900 0.077 0.000 1.208 332 G CA -0.749 44.385 45.100 0.057 0.000 0.912 332 G HN 0.581 nan 8.290 nan 0.000 0.502 333 M N 0.496 120.022 119.600 -0.123 0.000 2.371 333 M HA 0.468 4.861 4.480 -0.145 0.000 0.287 333 M C -1.428 174.872 176.300 -0.001 0.000 1.149 333 M CA -0.425 54.869 55.300 -0.010 0.000 0.929 333 M CB 2.858 35.421 32.600 -0.062 0.000 1.683 333 M HN 0.278 nan 8.290 nan 0.000 0.470 334 L N 2.300 123.549 121.223 0.043 0.000 2.289 334 L HA 0.681 4.934 4.340 -0.145 0.000 0.285 334 L C 0.029 176.878 176.870 -0.035 0.000 1.049 334 L CA -0.403 54.435 54.840 -0.003 0.000 0.804 334 L CB 1.721 43.696 42.059 -0.139 0.000 1.195 334 L HN 0.728 nan 8.230 nan 0.000 0.428 335 T N 0.361 114.909 114.554 -0.011 0.000 2.916 335 T HA 0.650 4.913 4.350 -0.145 0.000 0.298 335 T C -0.875 173.832 174.700 0.011 0.000 1.031 335 T CA -0.856 61.232 62.100 -0.021 0.000 0.993 335 T CB 2.032 70.885 68.868 -0.024 0.000 1.045 335 T HN 0.656 nan 8.240 nan 0.000 0.454 336 Q N 1.012 120.805 119.800 -0.012 0.000 2.456 336 Q HA 0.776 5.029 4.340 -0.145 0.000 0.283 336 Q C -1.409 174.570 176.000 -0.035 0.000 1.084 336 Q CA -1.037 54.761 55.803 -0.008 0.000 0.801 336 Q CB 2.168 30.910 28.738 0.008 0.000 1.434 336 Q HN 0.580 nan 8.270 nan 0.000 0.419 337 T N 1.391 115.910 114.554 -0.059 0.000 2.893 337 T HA 0.568 4.831 4.350 -0.145 0.000 0.291 337 T C -0.860 173.801 174.700 -0.066 0.000 1.028 337 T CA -0.673 61.386 62.100 -0.069 0.000 0.995 337 T CB 1.652 70.461 68.868 -0.098 0.000 1.051 337 T HN 0.694 nan 8.240 nan 0.000 0.470 338 T N 0.092 114.616 114.554 -0.050 0.000 2.801 338 T HA 0.346 4.609 4.350 -0.145 0.000 0.306 338 T C 1.161 175.832 174.700 -0.048 0.000 1.020 338 T CA -0.887 61.189 62.100 -0.039 0.000 0.948 338 T CB 0.861 69.717 68.868 -0.020 0.000 0.962 338 T HN 0.591 nan 8.240 nan 0.000 0.465 339 R N 2.129 122.592 120.500 -0.061 0.000 2.198 339 R HA -0.259 3.994 4.340 -0.145 0.000 0.258 339 R C 1.573 177.847 176.300 -0.043 0.000 1.173 339 R CA 2.475 58.538 56.100 -0.062 0.000 0.991 339 R CB -0.199 30.058 30.300 -0.072 0.000 0.879 339 R HN 0.858 nan 8.270 nan 0.000 0.460 340 E N -0.250 119.931 120.200 -0.032 0.000 2.031 340 E HA -0.181 4.082 4.350 -0.145 0.000 0.193 340 E C 1.347 177.935 176.600 -0.021 0.000 0.994 340 E CA 1.698 58.084 56.400 -0.023 0.000 0.800 340 E CB -0.017 29.673 29.700 -0.016 0.000 0.752 340 E HN 0.497 nan 8.360 nan 0.000 0.447 341 D N -2.053 118.334 120.400 -0.022 0.000 2.423 341 D HA 0.106 4.659 4.640 -0.145 0.000 0.212 341 D C 1.175 177.461 176.300 -0.024 0.000 1.060 341 D CA 0.863 54.852 54.000 -0.019 0.000 0.872 341 D CB 1.277 42.068 40.800 -0.015 0.000 1.012 341 D HN 0.327 nan 8.370 nan 0.000 0.503 342 G N 1.583 110.365 108.800 -0.030 0.000 2.159 342 G HA2 -0.248 3.625 3.960 -0.145 0.000 0.227 342 G HA3 -0.248 3.625 3.960 -0.145 0.000 0.227 342 G C 0.401 175.281 174.900 -0.033 0.000 0.986 342 G CA 0.314 45.394 45.100 -0.034 0.000 0.651 342 G HN 0.369 nan 8.290 nan 0.000 0.523 343 S N 0.281 115.964 115.700 -0.028 0.000 2.560 343 S HA 0.593 4.976 4.470 -0.145 0.000 0.284 343 S C 0.524 175.105 174.600 -0.030 0.000 1.327 343 S CA 1.472 59.658 58.200 -0.024 0.000 1.055 343 S CB 0.620 63.810 63.200 -0.016 0.000 0.868 343 S HN 0.726 nan 8.310 nan 0.000 0.506 344 T N 5.090 119.625 114.554 -0.032 0.000 2.883 344 T HA 0.689 4.952 4.350 -0.145 0.000 0.301 344 T C -1.133 173.538 174.700 -0.048 0.000 1.158 344 T CA -0.938 61.138 62.100 -0.041 0.000 1.007 344 T CB 1.384 70.224 68.868 -0.047 0.000 1.186 344 T HN 0.558 nan 8.240 nan 0.000 0.499 345 R N 0.063 120.525 120.500 -0.065 0.000 2.734 345 R HA 0.896 5.148 4.340 -0.145 0.000 0.271 345 R C -1.670 174.519 176.300 -0.185 0.000 1.021 345 R CA -0.919 55.112 56.100 -0.115 0.000 0.893 345 R CB 1.864 32.136 30.300 -0.046 0.000 1.244 345 R HN 0.866 nan 8.270 nan 0.000 0.464 346 A N 1.265 123.851 122.820 -0.391 0.000 2.517 346 A HA 0.717 4.950 4.320 -0.145 0.000 0.297 346 A C -1.571 175.588 177.584 -0.710 0.000 1.050 346 A CA -0.662 51.149 52.037 -0.375 0.000 0.694 346 A CB 1.522 20.390 19.000 -0.220 0.000 1.277 346 A HN 0.676 nan 8.150 nan 0.000 0.400 347 H N 0.711 119.740 119.070 -0.069 0.000 3.012 347 H HA 0.371 4.841 4.556 -0.144 0.000 0.367 347 H C -0.538 174.767 175.328 -0.039 0.000 1.211 347 H CA -0.663 55.347 56.048 -0.064 0.000 1.139 347 H CB 1.943 31.642 29.762 -0.105 0.000 1.838 347 H HN 0.810 nan 8.280 nan 0.000 0.550 348 K N 0.648 121.114 120.400 0.111 0.000 2.234 348 K HA 0.517 4.750 4.320 -0.145 0.000 0.251 348 K C -0.689 175.984 176.600 0.122 0.000 1.011 348 K CA 0.009 56.354 56.287 0.097 0.000 0.889 348 K CB 0.434 32.985 32.500 0.086 0.000 1.011 348 K HN 0.751 nan 8.250 nan 0.000 0.505 349 A N 1.215 124.145 122.820 0.184 0.000 2.583 349 A HA 0.396 4.629 4.320 -0.145 0.000 0.298 349 A C -1.216 176.569 177.584 0.334 0.000 1.055 349 A CA -0.819 51.353 52.037 0.225 0.000 0.714 349 A CB 1.448 20.556 19.000 0.179 0.000 1.277 349 A HN 0.596 nan 8.150 nan 0.000 0.406 350 T N 0.464 115.172 114.554 0.256 0.000 2.926 350 T HA 0.782 5.045 4.350 -0.145 0.000 0.289 350 T C -0.875 173.892 174.700 0.111 0.000 1.054 350 T CA -0.587 61.642 62.100 0.215 0.000 1.015 350 T CB 1.787 70.739 68.868 0.141 0.000 1.167 350 T HN 1.144 nan 8.240 nan 0.000 0.526 351 V N 1.321 121.240 119.914 0.009 0.000 2.655 351 V HA 0.507 4.540 4.120 -0.145 0.000 0.301 351 V C -0.491 175.517 176.094 -0.144 0.000 1.082 351 V CA -0.832 61.367 62.300 -0.168 0.000 0.899 351 V CB 1.953 33.545 31.823 -0.385 0.000 1.014 351 V HN 0.890 nan 8.190 nan 0.000 0.429 352 S N 2.283 117.887 115.700 -0.160 0.000 2.438 352 S HA 0.341 4.724 4.470 -0.145 0.000 0.293 352 S C 1.151 175.535 174.600 -0.361 0.000 1.141 352 S CA 0.224 58.312 58.200 -0.187 0.000 1.080 352 S CB 1.202 64.331 63.200 -0.117 0.000 0.978 352 S HN 1.061 nan 8.310 nan 0.000 0.479 353 T N 1.835 116.036 114.554 -0.589 0.000 3.129 353 T HA 0.196 4.459 4.350 -0.145 0.000 0.251 353 T C 1.419 175.809 174.700 -0.516 0.000 1.117 353 T CA 0.488 61.863 62.100 -1.208 0.000 1.034 353 T CB -0.012 68.051 68.868 -1.342 0.000 0.968 353 T HN 0.592 nan 8.240 nan 0.000 0.526 354 G N 0.969 109.612 108.800 -0.261 0.000 2.608 354 G HA2 0.157 4.030 3.960 -0.145 0.000 0.210 354 G HA3 0.157 4.030 3.960 -0.145 0.000 0.210 354 G C 0.617 175.467 174.900 -0.083 0.000 1.139 354 G CA 0.081 45.106 45.100 -0.126 0.000 0.812 354 G HN 0.581 nan 8.290 nan 0.000 0.529 355 S N 0.549 116.185 115.700 -0.107 0.000 2.558 355 S HA 0.048 4.431 4.470 -0.145 0.000 0.291 355 S C 1.704 176.261 174.600 -0.071 0.000 1.306 355 S CA 0.180 58.298 58.200 -0.136 0.000 1.056 355 S CB 1.083 64.182 63.200 -0.168 0.000 0.836 355 S HN 0.775 nan 8.310 nan 0.000 0.504 356 V N 3.010 122.842 119.914 -0.138 0.000 3.541 356 V HA 0.128 4.161 4.120 -0.145 0.000 0.272 356 V C 1.024 177.215 176.094 0.162 0.000 1.215 356 V CA 1.254 63.557 62.300 0.005 0.000 1.176 356 V CB -1.629 30.205 31.823 0.017 0.000 0.854 356 V HN 0.968 nan 8.190 nan 0.000 0.496 357 H N -1.302 117.775 119.070 0.012 0.000 2.586 357 H HA 0.309 4.777 4.556 -0.147 0.000 0.273 357 H C 0.229 175.535 175.328 -0.036 0.000 0.997 357 H CA -0.383 55.651 56.048 -0.023 0.000 1.177 357 H CB 0.498 30.240 29.762 -0.032 0.000 1.471 357 H HN 0.516 nan 8.280 nan 0.000 0.538 358 F N 3.596 123.520 119.950 -0.044 0.000 2.499 358 F HA 0.130 4.567 4.527 -0.150 0.000 0.353 358 F C 0.353 176.105 175.800 -0.079 0.000 1.196 358 F CA -0.720 57.203 58.000 -0.128 0.000 1.244 358 F CB 0.174 39.091 39.000 -0.137 0.000 1.577 358 F HN -0.149 nan 8.300 nan 0.000 0.614 359 T N 3.741 118.045 114.554 -0.416 0.000 3.390 359 T HA 0.351 4.614 4.350 -0.145 0.000 0.351 359 T C -2.260 172.201 174.700 -0.398 0.000 1.759 359 T CA -1.981 59.930 62.100 -0.315 0.000 1.561 359 T CB 0.802 69.590 68.868 -0.134 0.000 1.011 359 T HN 0.196 nan 8.240 nan 0.000 0.689 360 P HA -0.090 nan 4.420 nan 0.000 0.213 360 P C 1.705 178.832 177.300 -0.288 0.000 1.170 360 P CA 0.908 63.734 63.100 -0.457 0.000 0.898 360 P CB 0.197 31.678 31.700 -0.365 0.000 0.787 361 K N 0.456 120.799 120.400 -0.094 0.000 2.034 361 K HA -0.150 4.083 4.320 -0.145 0.000 0.214 361 K C 1.964 178.663 176.600 0.165 0.000 1.051 361 K CA 1.710 58.047 56.287 0.084 0.000 0.931 361 K CB -1.461 31.113 32.500 0.124 0.000 0.715 361 K HN 0.046 nan 8.250 nan 0.000 0.446 362 L N -1.516 119.741 121.223 0.058 0.000 2.362 362 L HA 0.049 4.302 4.340 -0.145 0.000 0.219 362 L C 1.369 178.301 176.870 0.103 0.000 1.134 362 L CA 0.819 55.710 54.840 0.085 0.000 0.807 362 L CB -0.404 41.665 42.059 0.017 0.000 0.927 362 L HN 0.641 nan 8.230 nan 0.000 0.447 363 G N 0.036 108.790 108.800 -0.075 0.000 2.154 363 G HA2 -0.197 3.675 3.960 -0.145 0.000 0.186 363 G HA3 -0.197 3.675 3.960 -0.145 0.000 0.186 363 G C 0.121 174.905 174.900 -0.193 0.000 1.000 363 G CA 0.021 45.003 45.100 -0.197 0.000 0.664 363 G HN 0.458 nan 8.290 nan 0.000 0.513 364 S N -1.476 114.090 115.700 -0.222 0.000 2.536 364 S HA 0.832 5.215 4.470 -0.145 0.000 0.271 364 S C -0.962 173.448 174.600 -0.317 0.000 1.134 364 S CA -0.456 57.621 58.200 -0.205 0.000 0.897 364 S CB 3.222 66.352 63.200 -0.118 0.000 1.094 364 S HN 1.197 nan 8.310 nan 0.000 0.473 365 V N 2.220 121.922 119.914 -0.353 0.000 2.841 365 V HA 0.568 4.601 4.120 -0.145 0.000 0.310 365 V C -0.716 175.127 176.094 -0.418 0.000 1.090 365 V CA -0.573 61.427 62.300 -0.501 0.000 0.930 365 V CB 1.957 33.233 31.823 -0.912 0.000 1.014 365 V HN 1.002 nan 8.190 nan 0.000 0.425 366 Q N 2.419 122.022 119.800 -0.329 0.000 2.293 366 Q HA 0.559 4.811 4.340 -0.145 0.000 0.261 366 Q C -1.917 173.886 176.000 -0.329 0.000 0.960 366 Q CA -0.529 55.159 55.803 -0.192 0.000 0.882 366 Q CB 1.483 30.241 28.738 0.035 0.000 1.275 366 Q HN 0.692 nan 8.270 nan 0.000 0.445 367 Y N 0.970 121.272 120.300 0.002 0.000 2.330 367 Y HA 0.217 4.677 4.550 -0.152 0.000 0.336 367 Y C 0.921 176.860 175.900 0.065 0.000 1.036 367 Y CA -0.699 57.390 58.100 -0.018 0.000 1.125 367 Y CB 1.889 40.323 38.460 -0.042 0.000 1.194 367 Y HN 0.628 nan 8.280 nan 0.000 0.469 368 T N -1.756 112.903 114.554 0.175 0.000 3.327 368 T HA 0.004 4.267 4.350 -0.145 0.000 0.241 368 T C 0.454 175.249 174.700 0.158 0.000 0.907 368 T CA -0.512 61.677 62.100 0.149 0.000 0.931 368 T CB -0.913 68.009 68.868 0.090 0.000 1.112 368 T HN 0.731 nan 8.240 nan 0.000 0.589 369 T N 2.714 117.381 114.554 0.188 0.000 2.308 369 T HA -0.113 4.150 4.350 -0.145 0.000 0.204 369 T C 0.078 174.835 174.700 0.094 0.000 1.089 369 T CA 0.615 62.786 62.100 0.118 0.000 1.419 369 T CB -0.662 68.216 68.868 0.018 0.000 1.041 369 T HN 0.508 nan 8.240 nan 0.000 0.458 375 L N 3.601 124.866 121.223 0.069 0.000 2.847 375 L HA 0.162 4.415 4.340 -0.145 0.000 0.243 375 L C -0.109 176.861 176.870 0.166 0.000 0.978 375 L CA -0.501 54.403 54.840 0.105 0.000 1.030 375 L CB 1.426 43.499 42.059 0.023 0.000 1.351 375 L HN 0.419 nan 8.230 nan 0.000 0.512 376 Q N 0.911 120.772 119.800 0.102 0.000 2.479 376 Q HA 0.236 4.489 4.340 -0.145 0.000 0.267 376 Q C 0.283 176.345 176.000 0.104 0.000 1.071 376 Q CA 0.381 56.237 55.803 0.089 0.000 0.935 376 Q CB 0.742 29.513 28.738 0.054 0.000 1.295 376 Q HN 0.543 nan 8.270 nan 0.000 0.476 377 T N -2.683 111.923 114.554 0.086 0.000 2.945 377 T HA 0.577 4.840 4.350 -0.145 0.000 0.286 377 T C 0.840 175.576 174.700 0.060 0.000 1.025 377 T CA -0.261 61.890 62.100 0.084 0.000 1.039 377 T CB 1.627 70.539 68.868 0.073 0.000 1.068 377 T HN 0.892 nan 8.240 nan 0.000 0.497 378 G N 0.955 109.792 108.800 0.062 0.000 2.148 378 G HA2 -0.184 3.688 3.960 -0.145 0.000 0.254 378 G HA3 -0.184 3.688 3.960 -0.145 0.000 0.254 378 G C -0.140 174.781 174.900 0.035 0.000 0.981 378 G CA -0.186 44.942 45.100 0.047 0.000 0.670 378 G HN 0.807 nan 8.290 nan 0.000 0.528 379 Q N 0.414 120.239 119.800 0.042 0.000 2.331 379 Q HA 0.322 4.574 4.340 -0.145 0.000 0.267 379 Q C -0.167 175.847 176.000 0.023 0.000 1.006 379 Q CA -0.923 54.888 55.803 0.014 0.000 0.818 379 Q CB 1.157 29.904 28.738 0.015 0.000 1.276 379 Q HN 0.269 nan 8.270 nan 0.000 0.450 380 N N 1.815 120.488 118.700 -0.045 0.000 2.365 380 N HA 0.022 4.675 4.740 -0.145 0.000 0.265 380 N C -0.588 174.951 175.510 0.048 0.000 1.288 380 N CA 0.737 53.756 53.050 -0.051 0.000 0.869 380 N CB 0.493 38.660 38.487 -0.533 0.000 1.071 380 N HN 0.355 nan 8.380 nan 0.000 0.480 381 T N 1.998 116.692 114.554 0.233 0.000 2.885 381 T HA 0.447 4.709 4.350 -0.145 0.000 0.285 381 T C 0.179 175.104 174.700 0.376 0.000 1.019 381 T CA -0.701 61.524 62.100 0.209 0.000 1.010 381 T CB 2.049 70.990 68.868 0.121 0.000 1.022 381 T HN 0.375 nan 8.240 nan 0.000 0.466 382 K N 1.671 122.244 120.400 0.287 0.000 2.426 382 K HA 0.630 4.863 4.320 -0.145 0.000 0.251 382 K C -1.842 174.889 176.600 0.218 0.000 0.941 382 K CA -0.842 55.621 56.287 0.293 0.000 0.808 382 K CB 1.540 34.233 32.500 0.322 0.000 1.265 382 K HN 0.491 nan 8.250 nan 0.000 0.432 383 F N 2.508 122.513 119.950 0.092 0.000 2.449 383 F HA 0.404 4.881 4.527 -0.083 0.000 0.342 383 F C -1.071 174.778 175.800 0.081 0.000 1.127 383 F CA -0.264 57.789 58.000 0.089 0.000 0.975 383 F CB 1.862 41.027 39.000 0.274 0.000 1.146 383 F HN 0.397 nan 8.300 nan 0.000 0.444 384 T N 8.459 122.655 114.554 -0.596 0.000 2.743 384 T HA 0.360 4.622 4.350 -0.145 0.000 0.292 384 T C -2.672 171.484 174.700 -0.906 0.000 0.972 384 T CA -1.245 60.525 62.100 -0.550 0.000 0.967 384 T CB 1.128 69.816 68.868 -0.301 0.000 0.926 384 T HN 0.369 nan 8.240 nan 0.000 0.459 385 P HA 0.278 nan 4.420 nan 0.000 0.278 385 P C -0.053 177.144 177.300 -0.172 0.000 1.238 385 P CA -0.317 62.545 63.100 -0.397 0.000 0.794 385 P CB 1.677 33.256 31.700 -0.202 0.000 0.955 386 V N 1.439 121.390 119.914 0.062 0.000 3.058 386 V HA 0.421 4.454 4.120 -0.145 0.000 0.233 386 V C 1.082 177.360 176.094 0.307 0.000 1.255 386 V CA 1.328 63.698 62.300 0.118 0.000 1.267 386 V CB 0.192 32.041 31.823 0.043 0.000 1.049 386 V HN 0.874 nan 8.190 nan 0.000 0.486 387 G N -0.055 108.931 108.800 0.310 0.000 2.561 387 G HA2 0.516 4.389 3.960 -0.145 0.000 0.310 387 G HA3 0.516 4.389 3.960 -0.145 0.000 0.310 387 G C -1.733 173.202 174.900 0.059 0.000 1.292 387 G CA 0.259 45.441 45.100 0.136 0.000 0.811 387 G HN 0.617 nan 8.290 nan 0.000 0.482 388 V N -0.830 119.030 119.914 -0.090 0.000 2.350 388 V HA 0.666 4.698 4.120 -0.145 0.000 0.285 388 V C -0.006 176.059 176.094 -0.048 0.000 1.014 388 V CA -0.958 61.307 62.300 -0.059 0.000 0.831 388 V CB 0.588 32.314 31.823 -0.162 0.000 1.000 388 V HN 1.046 nan 8.190 nan 0.000 0.433 389 I N 2.543 123.114 120.570 0.003 0.000 2.311 389 I HA 0.621 4.704 4.170 -0.145 0.000 0.297 389 I C 0.185 176.296 176.117 -0.011 0.000 1.131 389 I CA 0.512 61.806 61.300 -0.010 0.000 1.289 389 I CB -0.207 37.805 38.000 0.020 0.000 1.446 389 I HN 0.739 nan 8.210 nan 0.000 0.524 395 H N 0.710 119.732 119.070 -0.079 0.000 2.710 395 H HA 0.211 4.681 4.556 -0.143 0.000 0.361 395 H C 0.387 175.719 175.328 0.007 0.000 1.175 395 H CA -0.721 55.305 56.048 -0.038 0.000 1.206 395 H CB 1.856 31.555 29.762 -0.105 0.000 1.750 395 H HN 0.499 nan 8.280 nan 0.000 0.553 396 Q N 0.063 119.962 119.800 0.166 0.000 2.177 396 Q HA -0.372 3.881 4.340 -0.145 0.000 0.174 396 Q C 0.759 176.785 176.000 0.043 0.000 0.609 396 Q CA 2.035 57.883 55.803 0.074 0.000 1.453 396 Q CB -2.150 26.626 28.738 0.063 0.000 1.591 396 Q HN 0.827 nan 8.270 nan 0.000 0.818 397 N N 1.356 120.091 118.700 0.058 0.000 2.023 397 N HA -0.216 4.437 4.740 -0.145 0.000 0.200 397 N C 0.328 175.848 175.510 0.016 0.000 1.048 397 N CA 2.158 55.232 53.050 0.041 0.000 0.872 397 N CB -0.591 37.923 38.487 0.045 0.000 1.070 397 N HN 0.797 nan 8.380 nan 0.000 0.441 398 E N 1.595 121.799 120.200 0.007 0.000 2.319 398 E HA 0.347 4.609 4.350 -0.145 0.000 0.268 398 E C -2.140 174.418 176.600 -0.070 0.000 1.050 398 E CA -1.969 54.417 56.400 -0.023 0.000 0.878 398 E CB 0.968 30.661 29.700 -0.011 0.000 1.066 398 E HN 0.364 nan 8.360 nan 0.000 0.406 399 P HA 0.048 nan 4.420 nan 0.000 0.282 399 P C -1.068 176.155 177.300 -0.128 0.000 1.287 399 P CA -0.453 62.563 63.100 -0.140 0.000 0.792 399 P CB 0.618 32.132 31.700 -0.311 0.000 1.163 400 Q N -0.248 119.507 119.800 -0.075 0.000 2.788 400 Q HA 0.176 4.428 4.340 -0.145 0.000 0.261 400 Q C 1.150 177.097 176.000 -0.089 0.000 1.029 400 Q CA -0.342 55.434 55.803 -0.044 0.000 0.848 400 Q CB 1.145 29.904 28.738 0.036 0.000 1.185 400 Q HN 0.460 nan 8.270 nan 0.000 0.482 401 Q N 1.074 120.674 119.800 -0.333 0.000 2.217 401 Q HA -0.177 4.076 4.340 -0.145 0.000 0.209 401 Q C 0.172 175.787 176.000 -0.642 0.000 0.988 401 Q CA 1.843 57.278 55.803 -0.613 0.000 0.878 401 Q CB 0.179 28.346 28.738 -0.951 0.000 0.909 401 Q HN 0.712 nan 8.270 nan 0.000 0.424 402 W N 0.347 121.641 121.300 -0.011 0.000 3.123 402 W HA 0.245 4.822 4.660 -0.137 0.000 0.383 402 W C -0.188 176.390 176.519 0.098 0.000 1.102 402 W CA -0.727 56.642 57.345 0.039 0.000 1.865 402 W CB 0.895 30.332 29.460 -0.038 0.000 1.111 402 W HN -0.091 nan 8.180 nan 0.000 0.621 403 V N 0.320 120.366 119.914 0.220 0.000 2.347 403 V HA 0.462 4.495 4.120 -0.145 0.000 0.280 403 V C -0.250 175.914 176.094 0.116 0.000 1.021 403 V CA -1.255 61.148 62.300 0.172 0.000 0.847 403 V CB 0.738 32.639 31.823 0.130 0.000 0.990 403 V HN -0.129 nan 8.190 nan 0.000 0.444 404 L N 9.153 130.435 121.223 0.097 0.000 2.416 404 L HA 0.506 4.759 4.340 -0.145 0.000 0.272 404 L C -1.537 175.271 176.870 -0.103 0.000 1.161 404 L CA -1.078 53.768 54.840 0.010 0.000 0.845 404 L CB 0.487 42.566 42.059 0.033 0.000 1.119 404 L HN 0.619 nan 8.230 nan 0.000 0.464 405 P HA 0.154 nan 4.420 nan 0.000 0.276 405 P C -1.223 175.871 177.300 -0.342 0.000 1.261 405 P CA -0.638 62.334 63.100 -0.213 0.000 0.800 405 P CB 0.691 32.278 31.700 -0.188 0.000 1.066 406 N N -0.075 118.548 118.700 -0.128 0.000 2.462 406 N HA 0.172 4.825 4.740 -0.145 0.000 0.242 406 N C 0.608 176.094 175.510 -0.041 0.000 1.010 406 N CA -0.267 52.724 53.050 -0.099 0.000 0.939 406 N CB 0.099 38.589 38.487 0.004 0.000 1.127 406 N HN 0.396 nan 8.380 nan 0.000 0.509 407 Y N 0.335 120.695 120.300 0.100 0.000 2.333 407 Y HA -0.121 4.340 4.550 -0.148 0.000 0.290 407 Y C 1.631 177.488 175.900 -0.072 0.000 1.144 407 Y CA 0.426 58.519 58.100 -0.012 0.000 1.228 407 Y CB 0.327 38.804 38.460 0.028 0.000 0.985 407 Y HN 0.455 nan 8.280 nan 0.000 0.542 408 S N -0.723 115.049 115.700 0.119 0.000 2.557 408 S HA 0.318 4.701 4.470 -0.145 0.000 0.223 408 S C 1.485 176.098 174.600 0.021 0.000 0.969 408 S CA 0.197 58.431 58.200 0.058 0.000 0.927 408 S CB -0.087 63.157 63.200 0.074 0.000 0.806 408 S HN 0.736 nan 8.310 nan 0.000 0.489 409 G N 3.436 112.250 108.800 0.023 0.000 2.629 409 G HA2 -0.429 3.443 3.960 -0.145 0.000 0.313 409 G HA3 -0.429 3.443 3.960 -0.145 0.000 0.313 409 G C 0.789 175.693 174.900 0.006 0.000 1.217 409 G CA 0.829 45.944 45.100 0.025 0.000 0.994 409 G HN 0.515 nan 8.290 nan 0.000 0.549 410 R N -0.715 119.788 120.500 0.004 0.000 2.119 410 R HA 0.194 4.446 4.340 -0.145 0.000 0.222 410 R C 2.626 178.904 176.300 -0.036 0.000 1.088 410 R CA 1.688 57.778 56.100 -0.017 0.000 0.984 410 R CB -0.989 29.311 30.300 -0.000 0.000 0.884 410 R HN 0.438 nan 8.270 nan 0.000 0.447 411 T N 0.013 114.555 114.554 -0.019 0.000 2.918 411 T HA -0.024 4.239 4.350 -0.145 0.000 0.271 411 T C 0.826 175.506 174.700 -0.034 0.000 1.104 411 T CA 1.411 63.499 62.100 -0.019 0.000 1.114 411 T CB -0.181 68.686 68.868 -0.002 0.000 0.855 411 T HN 0.663 nan 8.240 nan 0.000 0.518 412 G N -1.022 107.745 108.800 -0.054 0.000 2.340 412 G HA2 0.373 4.246 3.960 -0.145 0.000 0.298 412 G HA3 0.373 4.246 3.960 -0.145 0.000 0.298 412 G C -1.461 173.404 174.900 -0.058 0.000 1.498 412 G CA -0.981 44.071 45.100 -0.079 0.000 0.847 412 G HN 0.106 nan 8.290 nan 0.000 0.594 413 H N 0.197 119.290 119.070 0.038 0.000 2.730 413 H HA 0.240 4.708 4.556 -0.146 0.000 0.376 413 H C 0.569 175.939 175.328 0.069 0.000 1.299 413 H CA 0.093 56.166 56.048 0.043 0.000 1.447 413 H CB 0.577 30.357 29.762 0.030 0.000 1.493 413 H HN 0.344 nan 8.280 nan 0.000 0.619 414 N N 0.670 119.519 118.700 0.249 0.000 2.520 414 N HA 0.104 4.757 4.740 -0.145 0.000 0.273 414 N C -0.422 175.193 175.510 0.175 0.000 1.155 414 N CA -0.261 52.932 53.050 0.238 0.000 0.967 414 N CB 0.941 39.584 38.487 0.260 0.000 1.092 414 N HN 0.282 nan 8.380 nan 0.000 0.457 415 V N -0.135 119.893 119.914 0.190 0.000 2.630 415 V HA 0.422 4.454 4.120 -0.145 0.000 0.305 415 V C -0.195 176.012 176.094 0.188 0.000 1.046 415 V CA -0.911 61.433 62.300 0.073 0.000 0.934 415 V CB 0.899 32.779 31.823 0.094 0.000 1.003 415 V HN 0.860 nan 8.190 nan 0.000 0.451 416 H N 0.491 119.602 119.070 0.070 0.000 2.527 416 H HA -0.170 4.298 4.556 -0.145 0.000 0.321 416 H C -0.210 175.156 175.328 0.064 0.000 1.092 416 H CA 0.693 56.774 56.048 0.055 0.000 1.118 416 H CB -1.965 27.819 29.762 0.037 0.000 1.536 416 H HN 0.624 nan 8.280 nan 0.000 0.407 417 L N -0.146 121.171 121.223 0.157 0.000 2.452 417 L HA 0.421 4.674 4.340 -0.145 0.000 0.267 417 L C 1.232 178.174 176.870 0.121 0.000 1.188 417 L CA -0.164 54.768 54.840 0.154 0.000 0.821 417 L CB 0.589 42.741 42.059 0.154 0.000 1.102 417 L HN 0.557 nan 8.230 nan 0.000 0.470 418 A N 3.750 126.641 122.820 0.119 0.000 2.425 418 A HA 0.423 4.656 4.320 -0.145 0.000 0.249 418 A C -2.148 175.480 177.584 0.074 0.000 1.084 418 A CA -1.212 50.883 52.037 0.097 0.000 0.781 418 A CB -0.450 18.613 19.000 0.105 0.000 1.019 418 A HN 0.472 nan 8.150 nan 0.000 0.490 419 P HA 0.204 nan 4.420 nan 0.000 0.267 419 P C -0.001 177.292 177.300 -0.011 0.000 1.200 419 P CA 0.262 63.369 63.100 0.013 0.000 0.772 419 P CB 0.576 32.271 31.700 -0.007 0.000 0.855 420 A N 2.844 125.652 122.820 -0.019 0.000 2.366 420 A HA 0.373 4.606 4.320 -0.145 0.000 0.249 420 A C 0.080 177.577 177.584 -0.145 0.000 1.084 420 A CA -0.288 51.728 52.037 -0.035 0.000 0.794 420 A CB 0.031 19.024 19.000 -0.011 0.000 1.034 420 A HN 0.398 nan 8.150 nan 0.000 0.491 421 V N 0.113 119.916 119.914 -0.185 0.000 2.769 421 V HA 0.797 4.830 4.120 -0.145 0.000 0.312 421 V C 0.321 176.269 176.094 -0.243 0.000 1.058 421 V CA 0.334 62.413 62.300 -0.368 0.000 0.952 421 V CB 1.498 33.070 31.823 -0.418 0.000 1.019 421 V HN 1.559 nan 8.190 nan 0.000 0.445 422 A N 4.636 127.315 122.820 -0.235 0.000 2.565 422 A HA 0.759 4.992 4.320 -0.145 0.000 0.298 422 A C -3.143 174.465 177.584 0.039 0.000 1.062 422 A CA -1.024 50.969 52.037 -0.072 0.000 0.723 422 A CB 1.781 20.745 19.000 -0.059 0.000 1.282 422 A HN 0.590 nan 8.150 nan 0.000 0.400 423 P HA 0.214 nan 4.420 nan 0.000 0.282 423 P C 0.729 178.095 177.300 0.110 0.000 1.262 423 P CA 0.248 63.443 63.100 0.159 0.000 0.773 423 P CB 1.276 33.069 31.700 0.154 0.000 0.879 424 T N 0.586 115.207 114.554 0.111 0.000 2.983 424 T HA 0.047 4.310 4.350 -0.145 0.000 0.250 424 T C 0.737 175.501 174.700 0.106 0.000 1.037 424 T CA -0.031 62.113 62.100 0.075 0.000 1.142 424 T CB -0.736 68.154 68.868 0.037 0.000 0.876 424 T HN 0.207 nan 8.240 nan 0.000 0.455 425 F N 4.861 124.807 119.950 -0.006 0.000 2.553 425 F HA 0.224 4.664 4.527 -0.145 0.000 0.356 425 F C -0.870 174.937 175.800 0.012 0.000 1.142 425 F CA -1.878 56.120 58.000 -0.004 0.000 1.322 425 F CB 0.762 39.780 39.000 0.030 0.000 1.126 425 F HN -0.076 nan 8.300 nan 0.000 0.599 426 P HA -0.179 nan 4.420 nan 0.000 0.210 426 P C 1.453 178.821 177.300 0.114 0.000 1.185 426 P CA 2.309 65.327 63.100 -0.137 0.000 0.924 426 P CB -0.475 31.015 31.700 -0.349 0.000 0.786 427 G N -0.119 108.856 108.800 0.292 0.000 2.432 427 G HA2 -0.156 3.717 3.960 -0.145 0.000 0.219 427 G HA3 -0.156 3.717 3.960 -0.145 0.000 0.219 427 G C 0.706 175.740 174.900 0.223 0.000 1.135 427 G CA 0.288 45.538 45.100 0.249 0.000 0.767 427 G HN 0.381 nan 8.290 nan 0.000 0.550 428 E N -0.259 120.134 120.200 0.323 0.000 2.422 428 E HA 0.367 4.630 4.350 -0.145 0.000 0.260 428 E C 0.003 176.702 176.600 0.165 0.000 1.108 428 E CA 0.211 56.738 56.400 0.211 0.000 0.943 428 E CB 0.626 30.445 29.700 0.198 0.000 0.961 428 E HN 0.375 nan 8.360 nan 0.000 0.443 429 Q N 0.693 120.579 119.800 0.144 0.000 2.687 429 Q HA 0.438 4.691 4.340 -0.145 0.000 0.305 429 Q C -1.837 174.236 176.000 0.123 0.000 1.006 429 Q CA -0.903 54.979 55.803 0.131 0.000 0.763 429 Q CB 1.211 30.029 28.738 0.133 0.000 1.506 429 Q HN 0.328 nan 8.270 nan 0.000 0.459 430 L N 2.028 123.323 121.223 0.121 0.000 2.289 430 L HA 0.423 4.676 4.340 -0.145 0.000 0.285 430 L C -1.276 175.599 176.870 0.008 0.000 1.049 430 L CA -0.420 54.439 54.840 0.031 0.000 0.804 430 L CB 1.342 43.338 42.059 -0.104 0.000 1.195 430 L HN 0.604 nan 8.230 nan 0.000 0.428 431 L N 5.675 126.852 121.223 -0.075 0.000 2.261 431 L HA 0.474 4.727 4.340 -0.145 0.000 0.289 431 L C -0.792 175.944 176.870 -0.224 0.000 1.059 431 L CA 0.359 55.137 54.840 -0.104 0.000 0.816 431 L CB -0.261 41.741 42.059 -0.095 0.000 1.191 431 L HN 0.329 nan 8.230 nan 0.000 0.431 432 F N 4.680 124.508 119.950 -0.204 0.000 2.364 432 F HA 0.506 4.944 4.527 -0.148 0.000 0.316 432 F C -0.120 175.505 175.800 -0.292 0.000 1.133 432 F CA -0.182 57.776 58.000 -0.070 0.000 1.051 432 F CB 0.618 39.660 39.000 0.069 0.000 1.342 432 F HN 0.215 nan 8.300 nan 0.000 0.507 433 F N 0.889 120.983 119.950 0.239 0.000 2.676 433 F HA 0.373 4.813 4.527 -0.145 0.000 0.371 433 F C 0.065 175.941 175.800 0.127 0.000 1.141 433 F CA -0.711 57.350 58.000 0.102 0.000 1.133 433 F CB 0.990 39.958 39.000 -0.053 0.000 1.376 433 F HN 0.238 nan 8.300 nan 0.000 0.491 434 R N 1.467 122.115 120.500 0.246 0.000 2.500 434 R HA 0.824 5.077 4.340 -0.145 0.000 0.277 434 R C -0.638 175.716 176.300 0.090 0.000 1.026 434 R CA -0.034 56.160 56.100 0.157 0.000 1.058 434 R CB 1.334 31.706 30.300 0.119 0.000 1.078 434 R HN 0.594 nan 8.270 nan 0.000 0.509 435 S N 0.136 115.860 115.700 0.039 0.000 2.685 435 S HA 0.416 4.799 4.470 -0.145 0.000 0.282 435 S C -1.498 173.073 174.600 -0.047 0.000 1.159 435 S CA -0.715 57.493 58.200 0.014 0.000 0.833 435 S CB 2.267 65.490 63.200 0.039 0.000 1.151 435 S HN 0.637 nan 8.310 nan 0.000 0.485 436 T N 2.397 116.917 114.554 -0.057 0.000 2.912 436 T HA 0.388 4.651 4.350 -0.145 0.000 0.326 436 T C -0.219 174.406 174.700 -0.125 0.000 1.080 436 T CA -0.378 61.660 62.100 -0.104 0.000 1.000 436 T CB 0.133 68.951 68.868 -0.085 0.000 1.008 436 T HN 0.424 nan 8.240 nan 0.000 0.473 437 M N 5.642 125.103 119.600 -0.233 0.000 2.260 437 M HA 0.166 4.559 4.480 -0.145 0.000 0.348 437 M C -1.854 174.317 176.300 -0.215 0.000 1.342 437 M CA -1.386 53.711 55.300 -0.340 0.000 1.040 437 M CB -0.136 32.030 32.600 -0.724 0.000 1.810 437 M HN 0.229 nan 8.290 nan 0.000 0.453 438 P HA 0.049 nan 4.420 nan 0.000 0.268 438 P C -0.100 177.137 177.300 -0.106 0.000 1.208 438 P CA -0.081 62.975 63.100 -0.073 0.000 0.777 438 P CB 0.351 32.048 31.700 -0.006 0.000 0.875 439 G N 0.262 109.002 108.800 -0.100 0.000 2.389 439 G HA2 0.377 4.250 3.960 -0.145 0.000 0.317 439 G HA3 0.377 4.250 3.960 -0.145 0.000 0.317 439 G C 0.284 175.138 174.900 -0.076 0.000 1.137 439 G CA -0.509 44.526 45.100 -0.109 0.000 0.870 439 G HN 0.559 nan 8.290 nan 0.000 0.496 440 C N 0.051 119.315 119.300 -0.060 0.000 3.385 440 C HA 0.648 5.021 4.460 -0.145 0.000 0.288 440 C C 0.714 175.676 174.990 -0.046 0.000 1.429 440 C CA -0.328 58.669 59.018 -0.034 0.000 1.778 440 C CB -1.189 26.559 27.740 0.012 0.000 2.503 440 C HN 0.674 nan 8.230 nan 0.000 0.646 441 S N -0.301 115.348 115.700 -0.085 0.000 2.773 441 S HA 0.477 4.859 4.470 -0.145 0.000 0.315 441 S C -0.293 174.224 174.600 -0.140 0.000 0.599 441 S CA 0.321 58.460 58.200 -0.103 0.000 0.643 441 S CB -0.276 62.896 63.200 -0.046 0.000 0.916 441 S HN 1.261 nan 8.310 nan 0.000 0.600 442 G N 2.163 110.799 108.800 -0.273 0.000 2.352 442 G HA2 0.072 3.944 3.960 -0.145 0.000 0.324 442 G HA3 0.072 3.944 3.960 -0.145 0.000 0.324 442 G C -1.621 172.888 174.900 -0.650 0.000 1.249 442 G CA -0.596 44.297 45.100 -0.344 0.000 1.053 442 G HN 0.773 nan 8.290 nan 0.000 0.492 443 Y N 1.769 121.933 120.300 -0.226 0.000 2.631 443 Y HA 0.418 4.883 4.550 -0.142 0.000 0.361 443 Y C -1.701 174.096 175.900 -0.170 0.000 0.941 443 Y CA -1.465 56.454 58.100 -0.302 0.000 1.327 443 Y CB 0.541 38.559 38.460 -0.737 0.000 1.299 443 Y HN 0.384 nan 8.280 nan 0.000 0.578 444 P HA -0.016 nan 4.420 nan 0.000 0.272 444 P C -0.106 177.144 177.300 -0.084 0.000 1.230 444 P CA -0.172 62.887 63.100 -0.069 0.000 0.788 444 P CB 1.150 32.786 31.700 -0.107 0.000 0.949 445 N N 2.152 120.792 118.700 -0.099 0.000 2.663 445 N HA 0.100 4.753 4.740 -0.145 0.000 0.250 445 N C 0.975 176.369 175.510 -0.192 0.000 1.129 445 N CA -0.030 52.948 53.050 -0.120 0.000 0.995 445 N CB -0.602 37.818 38.487 -0.112 0.000 1.324 445 N HN 0.275 nan 8.380 nan 0.000 0.512 446 M N 0.437 119.928 119.600 -0.181 0.000 2.706 446 M HA -0.077 4.316 4.480 -0.145 0.000 0.251 446 M C 0.298 176.451 176.300 -0.244 0.000 1.070 446 M CA 0.500 55.666 55.300 -0.223 0.000 1.073 446 M CB -0.496 31.997 32.600 -0.178 0.000 1.449 446 M HN 0.452 nan 8.290 nan 0.000 0.531 447 N N 0.866 119.431 118.700 -0.225 0.000 2.326 447 N HA 0.353 5.006 4.740 -0.145 0.000 0.239 447 N C -0.904 174.435 175.510 -0.285 0.000 1.301 447 N CA -0.185 52.736 53.050 -0.213 0.000 0.909 447 N CB 0.667 39.044 38.487 -0.183 0.000 1.156 447 N HN -0.031 nan 8.380 nan 0.000 0.462 448 L N 1.148 122.239 121.223 -0.220 0.000 2.845 448 L HA 0.259 4.512 4.340 -0.145 0.000 0.253 448 L C -1.976 174.853 176.870 -0.069 0.000 0.959 448 L CA -0.397 54.294 54.840 -0.248 0.000 1.001 448 L CB 1.227 43.123 42.059 -0.272 0.000 1.374 448 L HN 0.495 nan 8.230 nan 0.000 0.469 449 D N 3.868 124.259 120.400 -0.014 0.000 2.163 449 D HA 0.671 5.224 4.640 -0.145 0.000 0.248 449 D C -0.481 176.017 176.300 0.331 0.000 1.035 449 D CA -0.022 54.151 54.000 0.289 0.000 0.872 449 D CB 2.090 43.249 40.800 0.599 0.000 1.183 449 D HN 0.713 nan 8.370 nan 0.000 0.445 450 C N 0.204 119.735 119.300 0.385 0.000 2.802 450 C HA 0.513 4.886 4.460 -0.145 0.000 0.307 450 C C 1.514 176.712 174.990 0.345 0.000 1.222 450 C CA -0.781 58.419 59.018 0.303 0.000 1.580 450 C CB 0.198 28.035 27.740 0.161 0.000 2.119 450 C HN 0.703 nan 8.230 nan 0.000 0.479 451 L N 0.740 122.117 121.223 0.257 0.000 2.240 451 L HA 0.246 4.499 4.340 -0.145 0.000 0.211 451 L C 0.281 177.258 176.870 0.179 0.000 1.106 451 L CA 1.026 56.009 54.840 0.239 0.000 0.793 451 L CB -0.327 41.855 42.059 0.206 0.000 0.927 451 L HN 0.620 nan 8.230 nan 0.000 0.446 452 L N -0.780 120.405 121.223 -0.064 0.000 2.455 452 L HA 0.437 4.690 4.340 -0.145 0.000 0.264 452 L C -2.570 173.940 176.870 -0.600 0.000 0.968 452 L CA -1.954 52.649 54.840 -0.395 0.000 0.827 452 L CB 2.432 44.507 42.059 0.025 0.000 1.317 452 L HN -0.328 nan 8.230 nan 0.000 0.407 453 P HA 0.032 nan 4.420 nan 0.000 0.269 453 P C 0.002 177.088 177.300 -0.356 0.000 1.209 453 P CA -0.232 62.400 63.100 -0.780 0.000 0.776 453 P CB 0.770 31.796 31.700 -1.124 0.000 0.876 454 Q N 2.534 122.212 119.800 -0.202 0.000 2.152 454 Q HA -0.244 4.009 4.340 -0.145 0.000 0.206 454 Q C 1.497 177.448 176.000 -0.081 0.000 0.985 454 Q CA 1.960 57.699 55.803 -0.108 0.000 0.863 454 Q CB -0.468 28.224 28.738 -0.077 0.000 0.904 454 Q HN 0.437 nan 8.270 nan 0.000 0.422 455 E N -1.639 118.518 120.200 -0.071 0.000 2.274 455 E HA -0.153 4.110 4.350 -0.145 0.000 0.194 455 E C 1.564 178.169 176.600 0.009 0.000 0.996 455 E CA 0.582 56.973 56.400 -0.016 0.000 0.840 455 E CB -0.621 29.079 29.700 0.000 0.000 0.772 455 E HN 0.425 nan 8.360 nan 0.000 0.491 456 W N 1.672 122.742 121.300 -0.383 0.000 2.381 456 W HA -0.043 4.531 4.660 -0.143 0.000 0.301 456 W C 2.404 178.480 176.519 -0.737 0.000 1.205 456 W CA 0.323 57.254 57.345 -0.690 0.000 1.285 456 W CB -1.014 28.067 29.460 -0.632 0.000 1.133 456 W HN -0.103 nan 8.180 nan 0.000 0.521 457 V N 0.491 120.340 119.914 -0.107 0.000 2.287 457 V HA -0.331 3.702 4.120 -0.145 0.000 0.248 457 V C 2.210 178.320 176.094 0.026 0.000 1.053 457 V CA 2.181 64.483 62.300 0.002 0.000 1.027 457 V CB -0.976 30.860 31.823 0.022 0.000 0.646 457 V HN 0.238 nan 8.190 nan 0.000 0.447 458 Q N -1.243 118.554 119.800 -0.004 0.000 2.167 458 Q HA -0.201 4.051 4.340 -0.145 0.000 0.202 458 Q C 2.265 178.341 176.000 0.128 0.000 0.970 458 Q CA 1.550 57.378 55.803 0.042 0.000 0.855 458 Q CB -0.263 28.478 28.738 0.005 0.000 0.911 458 Q HN 0.762 nan 8.270 nan 0.000 0.438 459 H N -0.026 118.986 119.070 -0.097 0.000 2.363 459 H HA -0.046 4.422 4.556 -0.146 0.000 0.301 459 H C 1.679 177.036 175.328 0.048 0.000 1.074 459 H CA 1.023 57.008 56.048 -0.106 0.000 1.354 459 H CB 0.007 29.593 29.762 -0.293 0.000 1.397 459 H HN 0.271 nan 8.280 nan 0.000 0.516 460 F N -0.474 119.533 119.950 0.095 0.000 2.269 460 F HA -0.231 4.212 4.527 -0.141 0.000 0.301 460 F C 2.477 178.318 175.800 0.069 0.000 1.082 460 F CA 0.465 58.500 58.000 0.058 0.000 1.360 460 F CB -0.297 38.807 39.000 0.174 0.000 1.041 460 F HN 0.216 nan 8.300 nan 0.000 0.512 461 Y N 1.276 121.672 120.300 0.160 0.000 2.133 461 Y HA -0.235 4.231 4.550 -0.139 0.000 0.287 461 Y C 2.584 178.509 175.900 0.042 0.000 1.134 461 Y CA 1.469 59.624 58.100 0.092 0.000 1.133 461 Y CB -0.441 38.058 38.460 0.064 0.000 0.987 461 Y HN -0.093 nan 8.280 nan 0.000 0.502 462 Q N 0.525 120.395 119.800 0.118 0.000 1.967 462 Q HA -0.181 4.071 4.340 -0.145 0.000 0.202 462 Q C 2.146 178.091 176.000 -0.092 0.000 0.985 462 Q CA 1.839 57.641 55.803 -0.002 0.000 0.839 462 Q CB -0.575 28.194 28.738 0.051 0.000 0.906 462 Q HN 0.535 nan 8.270 nan 0.000 0.423 463 E N 0.472 120.600 120.200 -0.119 0.000 2.038 463 E HA -0.116 4.147 4.350 -0.145 0.000 0.195 463 E C 0.641 177.200 176.600 -0.070 0.000 1.000 463 E CA 1.060 57.377 56.400 -0.138 0.000 0.803 463 E CB -0.369 29.146 29.700 -0.308 0.000 0.750 463 E HN 0.391 nan 8.360 nan 0.000 0.448 464 A N 0.472 123.276 122.820 -0.027 0.000 2.519 464 A HA -0.158 4.075 4.320 -0.145 0.000 0.297 464 A C 0.498 178.088 177.584 0.010 0.000 1.472 464 A CA 0.691 52.722 52.037 -0.010 0.000 0.739 464 A CB -1.979 16.978 19.000 -0.071 0.000 1.096 464 A HN 0.331 nan 8.150 nan 0.000 0.414 465 A N 1.029 123.897 122.820 0.080 0.000 2.354 465 A HA 0.612 4.845 4.320 -0.145 0.000 0.281 465 A C -1.603 176.009 177.584 0.047 0.000 1.174 465 A CA -1.210 50.903 52.037 0.127 0.000 0.828 465 A CB -0.103 19.095 19.000 0.331 0.000 1.099 465 A HN 0.464 nan 8.150 nan 0.000 0.516 466 P HA 0.082 nan 4.420 nan 0.000 0.261 466 P C -0.113 176.978 177.300 -0.349 0.000 1.173 466 P CA 0.588 63.596 63.100 -0.153 0.000 0.760 466 P CB 0.578 32.193 31.700 -0.141 0.000 0.783 467 A N 4.193 126.741 122.820 -0.454 0.000 2.666 467 A HA 0.028 4.260 4.320 -0.145 0.000 0.301 467 A C 1.072 177.996 177.584 -1.100 0.000 1.470 467 A CA -0.118 51.407 52.037 -0.854 0.000 1.159 467 A CB -0.546 18.199 19.000 -0.425 0.000 1.116 467 A HN 0.451 nan 8.150 nan 0.000 0.548 468 Q N 0.804 119.530 119.800 -1.790 0.000 2.547 468 Q HA 0.023 4.275 4.340 -0.145 0.000 0.217 468 Q C 0.406 175.813 176.000 -0.988 0.000 0.978 468 Q CA 0.894 55.957 55.803 -1.233 0.000 0.962 468 Q CB -0.299 27.740 28.738 -1.166 0.000 0.990 468 Q HN 0.814 nan 8.270 nan 0.000 0.538 469 S N -0.068 115.090 115.700 -0.903 0.000 2.645 469 S HA 0.101 4.484 4.470 -0.145 0.000 0.268 469 S C -0.867 173.679 174.600 -0.089 0.000 1.110 469 S CA -0.351 57.691 58.200 -0.263 0.000 0.823 469 S CB 0.608 63.859 63.200 0.085 0.000 1.091 469 S HN 0.108 nan 8.310 nan 0.000 0.466 470 D N 0.953 121.380 120.400 0.046 0.000 2.349 470 D HA 0.239 4.791 4.640 -0.145 0.000 0.215 470 D C 0.737 177.128 176.300 0.151 0.000 1.016 470 D CA 0.640 54.690 54.000 0.083 0.000 0.870 470 D CB 0.268 41.121 40.800 0.089 0.000 0.917 470 D HN 0.679 nan 8.370 nan 0.000 0.524 471 V N -1.045 118.984 119.914 0.192 0.000 2.932 471 V HA 0.744 4.776 4.120 -0.145 0.000 0.307 471 V C -1.929 174.244 176.094 0.132 0.000 1.147 471 V CA -0.823 61.546 62.300 0.116 0.000 0.951 471 V CB 1.850 33.722 31.823 0.082 0.000 1.031 471 V HN 0.220 nan 8.190 nan 0.000 0.426 472 A N 5.980 128.777 122.820 -0.037 0.000 2.304 472 A HA 0.777 5.010 4.320 -0.145 0.000 0.314 472 A C -0.935 176.596 177.584 -0.088 0.000 1.187 472 A CA -0.623 51.353 52.037 -0.101 0.000 0.810 472 A CB 1.250 20.041 19.000 -0.350 0.000 1.183 472 A HN 1.450 nan 8.150 nan 0.000 0.487 473 L N 3.692 124.831 121.223 -0.141 0.000 2.418 473 L HA 0.427 4.680 4.340 -0.145 0.000 0.274 473 L C -0.694 176.123 176.870 -0.088 0.000 1.135 473 L CA 0.483 55.204 54.840 -0.199 0.000 0.870 473 L CB -0.176 41.655 42.059 -0.380 0.000 1.154 473 L HN 0.587 nan 8.230 nan 0.000 0.462 474 L N 5.481 126.714 121.223 0.016 0.000 2.346 474 L HA 0.597 4.849 4.340 -0.145 0.000 0.274 474 L C -0.331 176.586 176.870 0.079 0.000 1.007 474 L CA -1.013 53.899 54.840 0.120 0.000 0.818 474 L CB 1.768 44.019 42.059 0.320 0.000 1.284 474 L HN 0.508 nan 8.230 nan 0.000 0.424 475 R N 1.741 122.247 120.500 0.011 0.000 2.439 475 R HA 0.318 4.571 4.340 -0.145 0.000 0.310 475 R C -1.033 175.129 176.300 -0.229 0.000 0.955 475 R CA -0.443 55.588 56.100 -0.116 0.000 0.853 475 R CB 1.126 31.347 30.300 -0.131 0.000 1.171 475 R HN 0.332 nan 8.270 nan 0.000 0.449 476 F N 5.736 125.255 119.950 -0.719 0.000 2.462 476 F HA 0.248 4.687 4.527 -0.147 0.000 0.354 476 F C 0.341 175.729 175.800 -0.687 0.000 1.192 476 F CA -0.640 56.780 58.000 -0.966 0.000 1.173 476 F CB 0.223 38.218 39.000 -1.673 0.000 1.402 476 F HN 0.311 nan 8.300 nan 0.000 0.595 477 V N 3.308 122.682 119.914 -0.899 0.000 3.214 477 V HA 0.407 4.440 4.120 -0.145 0.000 0.306 477 V C -0.302 175.266 176.094 -0.878 0.000 1.078 477 V CA -0.837 61.004 62.300 -0.764 0.000 1.077 477 V CB 1.528 32.938 31.823 -0.688 0.000 1.121 477 V HN 0.761 nan 8.190 nan 0.000 0.468 478 N N 2.387 120.793 118.700 -0.490 0.000 2.491 478 N HA 0.440 5.093 4.740 -0.145 0.000 0.274 478 N C -1.972 173.426 175.510 -0.188 0.000 1.023 478 N CA -2.044 50.818 53.050 -0.312 0.000 0.902 478 N CB 2.326 40.721 38.487 -0.153 0.000 1.267 478 N HN 0.531 nan 8.380 nan 0.000 0.503 479 P HA -0.025 nan 4.420 nan 0.000 0.226 479 P C 0.216 177.510 177.300 -0.010 0.000 1.153 479 P CA 0.787 63.884 63.100 -0.004 0.000 0.777 479 P CB 0.826 32.589 31.700 0.105 0.000 0.794 480 D N 0.275 120.663 120.400 -0.021 0.000 2.087 480 D HA -0.098 4.455 4.640 -0.145 0.000 0.201 480 D C 2.084 178.375 176.300 -0.016 0.000 0.980 480 D CA 2.332 56.326 54.000 -0.010 0.000 0.849 480 D CB -1.087 39.710 40.800 -0.005 0.000 1.001 480 D HN 0.253 nan 8.370 nan 0.000 0.452 481 T N -2.333 112.206 114.554 -0.024 0.000 3.023 481 T HA 0.191 4.454 4.350 -0.145 0.000 0.266 481 T C 1.684 176.365 174.700 -0.032 0.000 1.093 481 T CA 1.296 63.383 62.100 -0.022 0.000 1.129 481 T CB 0.058 68.915 68.868 -0.018 0.000 0.899 481 T HN 0.322 nan 8.240 nan 0.000 0.491 482 G N 1.088 109.858 108.800 -0.050 0.000 2.148 482 G HA2 -0.268 3.605 3.960 -0.145 0.000 0.254 482 G HA3 -0.268 3.605 3.960 -0.145 0.000 0.254 482 G C 0.097 174.953 174.900 -0.073 0.000 0.981 482 G CA 0.181 45.246 45.100 -0.058 0.000 0.670 482 G HN 0.755 nan 8.290 nan 0.000 0.528 483 R N -0.766 119.687 120.500 -0.078 0.000 2.604 483 R HA 0.615 4.868 4.340 -0.145 0.000 0.287 483 R C 0.398 176.636 176.300 -0.104 0.000 0.970 483 R CA -0.619 55.438 56.100 -0.071 0.000 0.946 483 R CB 1.644 31.922 30.300 -0.036 0.000 1.127 483 R HN 0.076 nan 8.270 nan 0.000 0.473 484 V N 5.003 124.863 119.914 -0.090 0.000 2.555 484 V HA -0.005 4.027 4.120 -0.145 0.000 0.286 484 V C 0.709 176.781 176.094 -0.036 0.000 1.044 484 V CA 0.099 62.335 62.300 -0.106 0.000 1.026 484 V CB 1.268 33.041 31.823 -0.084 0.000 0.981 484 V HN 0.659 nan 8.190 nan 0.000 0.480 485 L N 6.271 127.485 121.223 -0.015 0.000 2.187 485 L HA 0.437 4.689 4.340 -0.145 0.000 0.197 485 L C 0.279 177.268 176.870 0.198 0.000 1.090 485 L CA 1.384 56.297 54.840 0.121 0.000 0.781 485 L CB -0.080 42.136 42.059 0.261 0.000 0.956 485 L HN 0.647 nan 8.230 nan 0.000 0.463 486 F N -1.523 118.462 119.950 0.059 0.000 2.692 486 F HA 0.749 5.188 4.527 -0.147 0.000 0.320 486 F C -0.706 175.131 175.800 0.062 0.000 1.123 486 F CA -1.132 56.892 58.000 0.039 0.000 0.961 486 F CB 0.687 39.687 39.000 -0.001 0.000 1.383 486 F HN 0.037 nan 8.300 nan 0.000 0.483 487 E N 0.142 120.513 120.200 0.284 0.000 2.299 487 E HA 0.752 5.014 4.350 -0.145 0.000 0.260 487 E C -1.244 175.575 176.600 0.365 0.000 0.944 487 E CA -1.018 55.483 56.400 0.167 0.000 0.815 487 E CB 2.216 32.000 29.700 0.139 0.000 1.252 487 E HN 0.966 nan 8.360 nan 0.000 0.418 488 C N -1.432 118.023 119.300 0.257 0.000 3.320 488 C HA 0.622 4.995 4.460 -0.145 0.000 0.335 488 C C -1.371 173.673 174.990 0.089 0.000 1.430 488 C CA -1.226 57.950 59.018 0.264 0.000 1.271 488 C CB 0.832 28.855 27.740 0.473 0.000 1.609 488 C HN 0.692 nan 8.230 nan 0.000 0.457 489 K N 0.710 121.099 120.400 -0.018 0.000 2.265 489 K HA 0.644 4.877 4.320 -0.145 0.000 0.267 489 K C -1.409 174.960 176.600 -0.385 0.000 0.994 489 K CA -0.414 55.715 56.287 -0.263 0.000 0.860 489 K CB 1.773 34.021 32.500 -0.421 0.000 1.099 489 K HN 0.602 nan 8.250 nan 0.000 0.448 490 L N 4.899 125.942 121.223 -0.300 0.000 2.301 490 L HA 0.231 4.484 4.340 -0.145 0.000 0.278 490 L C -0.791 175.890 176.870 -0.315 0.000 1.022 490 L CA -0.322 54.413 54.840 -0.176 0.000 0.854 490 L CB 0.169 42.262 42.059 0.057 0.000 1.226 490 L HN 0.561 nan 8.230 nan 0.000 0.429 491 H N 4.208 123.160 119.070 -0.196 0.000 2.722 491 H HA 0.091 4.560 4.556 -0.146 0.000 0.328 491 H C 0.760 176.061 175.328 -0.045 0.000 1.067 491 H CA 0.161 56.092 56.048 -0.195 0.000 1.447 491 H CB 1.072 30.513 29.762 -0.535 0.000 1.469 491 H HN 0.627 nan 8.280 nan 0.000 0.544 492 K N 1.197 121.646 120.400 0.082 0.000 2.362 492 K HA -0.196 4.036 4.320 -0.145 0.000 0.202 492 K C 1.794 178.443 176.600 0.082 0.000 1.045 492 K CA 1.627 57.919 56.287 0.010 0.000 0.936 492 K CB 0.087 32.582 32.500 -0.009 0.000 0.747 492 K HN 0.305 nan 8.250 nan 0.000 0.467 493 S N 0.031 115.860 115.700 0.214 0.000 2.383 493 S HA -0.003 4.379 4.470 -0.145 0.000 0.227 493 S C 1.248 176.033 174.600 0.309 0.000 1.026 493 S CA 1.252 59.614 58.200 0.270 0.000 0.981 493 S CB -0.404 63.041 63.200 0.409 0.000 0.818 493 S HN 0.774 nan 8.310 nan 0.000 0.472 494 G N -0.135 108.906 108.800 0.403 0.000 2.157 494 G HA2 -0.019 3.854 3.960 -0.145 0.000 0.114 494 G HA3 -0.019 3.854 3.960 -0.145 0.000 0.114 494 G C -0.316 174.888 174.900 0.507 0.000 1.041 494 G CA -0.138 45.203 45.100 0.403 0.000 0.714 494 G HN 0.845 nan 8.290 nan 0.000 0.492 495 Y N -1.882 118.570 120.300 0.254 0.000 2.609 495 Y HA 0.819 5.281 4.550 -0.147 0.000 0.342 495 Y C -0.471 175.601 175.900 0.287 0.000 1.058 495 Y CA -2.011 56.230 58.100 0.236 0.000 1.055 495 Y CB 1.744 40.295 38.460 0.153 0.000 1.292 495 Y HN 0.197 nan 8.280 nan 0.000 0.476 496 V N 1.744 121.797 119.914 0.232 0.000 2.448 496 V HA 0.549 4.582 4.120 -0.145 0.000 0.295 496 V C -0.360 175.769 176.094 0.058 0.000 1.025 496 V CA -0.490 61.874 62.300 0.107 0.000 0.859 496 V CB 1.459 33.418 31.823 0.226 0.000 0.988 496 V HN 0.946 nan 8.190 nan 0.000 0.431 497 T N 1.566 116.122 114.554 0.004 0.000 2.856 497 T HA 0.822 5.085 4.350 -0.145 0.000 0.283 497 T C -0.593 174.148 174.700 0.069 0.000 1.008 497 T CA -0.769 61.383 62.100 0.088 0.000 0.997 497 T CB 1.741 70.746 68.868 0.228 0.000 0.992 497 T HN 0.842 nan 8.240 nan 0.000 0.454 498 V N -0.308 119.652 119.914 0.077 0.000 2.588 498 V HA 0.874 4.907 4.120 -0.145 0.000 0.304 498 V C 0.426 176.580 176.094 0.100 0.000 1.042 498 V CA -1.446 60.901 62.300 0.078 0.000 0.877 498 V CB 0.995 32.817 31.823 -0.002 0.000 0.996 498 V HN 1.288 nan 8.190 nan 0.000 0.425 499 A N 4.192 127.075 122.820 0.105 0.000 2.898 499 A HA 0.362 4.595 4.320 -0.145 0.000 0.288 499 A C 0.228 177.915 177.584 0.172 0.000 1.771 499 A CA 0.499 52.610 52.037 0.123 0.000 1.383 499 A CB -1.221 17.839 19.000 0.100 0.000 1.028 499 A HN 1.194 nan 8.150 nan 0.000 0.595 500 H N 0.608 119.702 119.070 0.041 0.000 3.064 500 H HA 0.437 4.906 4.556 -0.145 0.000 0.352 500 H C -1.424 173.923 175.328 0.032 0.000 1.260 500 H CA -0.233 55.829 56.048 0.022 0.000 1.160 500 H CB 1.980 31.740 29.762 -0.004 0.000 1.879 500 H HN 0.330 nan 8.280 nan 0.000 0.544 501 T N 1.900 116.136 114.554 -0.529 0.000 2.824 501 T HA 0.589 4.852 4.350 -0.145 0.000 0.282 501 T C 0.014 174.560 174.700 -0.257 0.000 0.993 501 T CA 0.148 62.097 62.100 -0.252 0.000 0.967 501 T CB 1.327 70.091 68.868 -0.173 0.000 0.960 501 T HN 0.994 nan 8.240 nan 0.000 0.441 502 G N 4.245 113.036 108.800 -0.016 0.000 2.712 502 G HA2 -0.029 3.844 3.960 -0.145 0.000 0.683 502 G HA3 -0.029 3.844 3.960 -0.145 0.000 0.683 502 G C -3.213 171.816 174.900 0.214 0.000 1.320 502 G CA -1.133 44.010 45.100 0.072 0.000 0.847 502 G HN 0.638 nan 8.290 nan 0.000 0.553 503 P HA 0.500 nan 4.420 nan 0.000 0.277 503 P C -0.546 176.992 177.300 0.397 0.000 1.271 503 P CA 0.219 63.502 63.100 0.305 0.000 0.795 503 P CB 1.398 33.290 31.700 0.319 0.000 1.101 504 H N -1.357 117.906 119.070 0.320 0.000 3.249 504 H HA 0.140 4.610 4.556 -0.144 0.000 0.327 504 H C -1.521 173.920 175.328 0.188 0.000 1.498 504 H CA -0.382 55.745 56.048 0.131 0.000 1.637 504 H CB -0.354 29.343 29.762 -0.109 0.000 2.475 504 H HN 0.160 nan 8.280 nan 0.000 0.370 505 D N 5.507 125.791 120.400 -0.192 0.000 2.344 505 D HA 0.103 4.656 4.640 -0.145 0.000 0.253 505 D C 0.551 176.444 176.300 -0.680 0.000 1.255 505 D CA -0.145 53.673 54.000 -0.304 0.000 0.894 505 D CB 0.813 41.478 40.800 -0.225 0.000 1.067 505 D HN 0.482 nan 8.370 nan 0.000 0.492 506 L N 2.721 123.543 121.223 -0.669 0.000 2.628 506 L HA -0.093 4.160 4.340 -0.145 0.000 0.274 506 L C 0.021 176.696 176.870 -0.326 0.000 1.209 506 L CA -0.005 54.441 54.840 -0.657 0.000 0.930 506 L CB 0.428 42.211 42.059 -0.460 0.000 1.183 506 L HN 0.100 nan 8.230 nan 0.000 0.492 507 V N 6.370 126.178 119.914 -0.176 0.000 2.406 507 V HA 0.426 4.459 4.120 -0.145 0.000 0.272 507 V C 0.177 176.274 176.094 0.005 0.000 1.043 507 V CA -0.368 61.913 62.300 -0.032 0.000 0.915 507 V CB 0.679 32.535 31.823 0.055 0.000 0.988 507 V HN 0.626 nan 8.190 nan 0.000 0.466 508 I N 2.655 123.245 120.570 0.034 0.000 2.994 508 I HA 0.781 4.864 4.170 -0.145 0.000 0.306 508 I C -2.759 173.450 176.117 0.155 0.000 1.195 508 I CA -2.362 59.014 61.300 0.126 0.000 1.001 508 I CB 2.783 40.843 38.000 0.101 0.000 1.244 508 I HN 0.409 nan 8.210 nan 0.000 0.437 509 P HA 0.401 nan 4.420 nan 0.000 0.287 509 P C -2.434 174.950 177.300 0.139 0.000 1.281 509 P CA -1.587 61.588 63.100 0.126 0.000 0.781 509 P CB 0.998 32.751 31.700 0.087 0.000 0.903 510 P HA -0.132 nan 4.420 nan 0.000 0.223 510 P C 0.812 178.171 177.300 0.098 0.000 1.140 510 P CA 1.425 64.587 63.100 0.103 0.000 0.783 510 P CB -0.014 31.729 31.700 0.071 0.000 0.759 511 N N -1.746 116.997 118.700 0.072 0.000 2.236 511 N HA 0.090 4.743 4.740 -0.145 0.000 0.196 511 N C 0.977 176.494 175.510 0.012 0.000 1.114 511 N CA -0.304 52.778 53.050 0.054 0.000 0.859 511 N CB 0.239 38.747 38.487 0.035 0.000 0.982 511 N HN 0.091 nan 8.380 nan 0.000 0.493 512 G N 0.595 109.349 108.800 -0.076 0.000 2.527 512 G HA2 0.294 4.166 3.960 -0.145 0.000 0.248 512 G HA3 0.294 4.166 3.960 -0.145 0.000 0.248 512 G C -0.878 173.678 174.900 -0.573 0.000 1.231 512 G CA 0.100 44.877 45.100 -0.539 0.000 0.838 512 G HN 0.245 nan 8.290 nan 0.000 0.570 513 Y N -0.908 118.856 120.300 -0.894 0.000 2.625 513 Y HA 0.727 5.189 4.550 -0.146 0.000 0.338 513 Y C -1.224 174.406 175.900 -0.450 0.000 1.123 513 Y CA -2.512 55.354 58.100 -0.391 0.000 1.046 513 Y CB 0.821 39.222 38.460 -0.098 0.000 1.299 513 Y HN 0.393 nan 8.280 nan 0.000 0.464 514 F N 1.866 121.953 119.950 0.228 0.000 2.382 514 F HA 0.657 5.096 4.527 -0.146 0.000 0.331 514 F C 0.482 176.381 175.800 0.164 0.000 1.121 514 F CA -0.358 57.761 58.000 0.198 0.000 1.183 514 F CB 1.176 40.453 39.000 0.461 0.000 1.207 514 F HN 0.557 nan 8.300 nan 0.000 0.555 515 R N 2.534 123.165 120.500 0.218 0.000 2.533 515 R HA 0.307 4.560 4.340 -0.145 0.000 0.288 515 R C -1.721 174.628 176.300 0.081 0.000 1.039 515 R CA -0.822 55.361 56.100 0.138 0.000 0.909 515 R CB 1.014 31.346 30.300 0.054 0.000 1.195 515 R HN 0.569 nan 8.270 nan 0.000 0.438 516 F N 5.839 125.739 119.950 -0.084 0.000 2.494 516 F HA 0.153 4.593 4.527 -0.145 0.000 0.369 516 F C 0.180 175.908 175.800 -0.120 0.000 1.098 516 F CA 0.175 58.093 58.000 -0.138 0.000 1.154 516 F CB 0.626 39.490 39.000 -0.227 0.000 1.103 516 F HN 0.642 nan 8.300 nan 0.000 0.549 517 D N 2.575 122.538 120.400 -0.729 0.000 2.394 517 D HA 0.042 4.595 4.640 -0.145 0.000 0.237 517 D C 0.351 176.018 176.300 -1.056 0.000 1.028 517 D CA 1.142 54.730 54.000 -0.686 0.000 0.937 517 D CB 0.180 40.767 40.800 -0.355 0.000 1.072 517 D HN 0.486 nan 8.370 nan 0.000 0.457 518 S N -1.286 113.879 115.700 -0.892 0.000 2.625 518 S HA 0.427 4.810 4.470 -0.145 0.000 0.271 518 S C -1.811 172.653 174.600 -0.227 0.000 1.161 518 S CA -1.011 56.821 58.200 -0.615 0.000 0.820 518 S CB 0.912 63.963 63.200 -0.249 0.000 1.137 518 S HN 0.175 nan 8.310 nan 0.000 0.470 519 W N 1.648 123.006 121.300 0.097 0.000 2.322 519 W HA 0.569 5.142 4.660 -0.145 0.000 0.307 519 W C 0.360 176.881 176.519 0.003 0.000 1.220 519 W CA -0.262 57.150 57.345 0.111 0.000 1.210 519 W CB 1.393 30.922 29.460 0.115 0.000 1.223 519 W HN 0.727 nan 8.180 nan 0.000 0.511 520 V N 0.947 120.986 119.914 0.208 0.000 3.158 520 V HA 0.613 4.646 4.120 -0.145 0.000 0.311 520 V C -0.360 175.844 176.094 0.184 0.000 1.181 520 V CA -1.458 60.914 62.300 0.119 0.000 1.054 520 V CB 1.548 33.303 31.823 -0.114 0.000 1.085 520 V HN 0.607 nan 8.190 nan 0.000 0.446 521 N N 0.652 119.496 118.700 0.241 0.000 2.483 521 N HA 0.231 4.883 4.740 -0.145 0.000 0.269 521 N C 0.623 176.340 175.510 0.345 0.000 1.209 521 N CA -0.114 53.125 53.050 0.315 0.000 0.969 521 N CB 0.451 39.166 38.487 0.380 0.000 1.173 521 N HN 0.906 nan 8.380 nan 0.000 0.475 522 Q N -0.748 119.246 119.800 0.322 0.000 2.541 522 Q HA -0.017 4.236 4.340 -0.145 0.000 0.215 522 Q C -0.145 175.919 176.000 0.106 0.000 0.977 522 Q CA 0.984 56.875 55.803 0.147 0.000 0.934 522 Q CB -0.485 28.256 28.738 0.005 0.000 0.988 522 Q HN 0.634 nan 8.270 nan 0.000 0.521 523 F N -0.505 119.620 119.950 0.292 0.000 2.765 523 F HA 0.175 4.616 4.527 -0.145 0.000 0.302 523 F C 0.357 176.375 175.800 0.364 0.000 1.111 523 F CA -1.024 57.202 58.000 0.377 0.000 1.359 523 F CB -0.199 38.938 39.000 0.228 0.000 1.097 523 F HN 0.064 nan 8.300 nan 0.000 0.577 524 Y N 2.352 122.803 120.300 0.251 0.000 2.537 524 Y HA 0.183 4.646 4.550 -0.145 0.000 0.339 524 Y C 0.574 176.408 175.900 -0.109 0.000 1.066 524 Y CA -0.694 57.464 58.100 0.097 0.000 1.357 524 Y CB 0.114 38.602 38.460 0.047 0.000 1.175 524 Y HN -0.088 nan 8.280 nan 0.000 0.525 525 T N 7.493 121.892 114.554 -0.258 0.000 2.832 525 T HA 0.347 4.610 4.350 -0.145 0.000 0.296 525 T C -0.061 174.487 174.700 -0.254 0.000 0.968 525 T CA -0.643 61.348 62.100 -0.183 0.000 1.107 525 T CB 0.662 69.591 68.868 0.102 0.000 0.916 525 T HN 0.532 nan 8.240 nan 0.000 0.517 526 L N 2.273 123.444 121.223 -0.087 0.000 2.350 526 L HA 0.517 4.770 4.340 -0.145 0.000 0.275 526 L C 0.956 177.872 176.870 0.077 0.000 1.099 526 L CA -1.055 53.839 54.840 0.091 0.000 0.808 526 L CB 0.595 42.712 42.059 0.096 0.000 1.149 526 L HN 0.767 nan 8.230 nan 0.000 0.442 527 A N 5.441 128.328 122.820 0.113 0.000 2.524 527 A HA 0.298 4.531 4.320 -0.145 0.000 0.250 527 A C -1.962 175.688 177.584 0.110 0.000 1.078 527 A CA -1.014 51.079 52.037 0.093 0.000 0.761 527 A CB -0.805 18.258 19.000 0.104 0.000 1.012 527 A HN 0.490 nan 8.150 nan 0.000 0.500 528 P HA -0.071 nan 4.420 nan 0.000 0.269 528 P C -0.127 177.243 177.300 0.118 0.000 1.200 528 P CA 0.251 63.413 63.100 0.104 0.000 0.779 528 P CB 0.404 32.153 31.700 0.081 0.000 0.841 529 M N 1.243 120.916 119.600 0.122 0.000 2.342 529 M HA 0.384 4.777 4.480 -0.145 0.000 0.332 529 M C 1.041 177.361 176.300 0.034 0.000 1.166 529 M CA -0.239 55.089 55.300 0.047 0.000 1.086 529 M CB 1.323 33.861 32.600 -0.104 0.000 1.541 529 M HN 0.555 nan 8.290 nan 0.000 0.462 530 G N 0.000 108.794 108.800 -0.009 0.000 5.446 530 G HA2 0.000 3.873 3.960 -0.145 0.000 0.244 530 G HA3 0.000 3.873 3.960 -0.145 0.000 0.244 530 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 530 G HN 0.000 nan 8.290 nan 0.000 0.925