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 1hg4_1_B DATA FIRST_RESID 238 DATA SEQUENCE FSIERIIEAE QRAETQCGDR ALTFLRVGPY STVQPDYKGA VSALCQVVNK DATA SEQUENCE QLFQMVEYAR MMPHFAQVPL DDQVILLKAA WIELLIANVA WCSIVSLXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXQPQQLFLN QSFSYHRNSA IKAGVSAIFD DATA SEQUENCE RILSELSVKM KRLNLDRREL SCLKAIILYN PDIRGIKSRA EIEMCREKVY DATA SEQUENCE ACLDEHCRLE HPGDDGRFAQ LLLRLPALRS ISLKCQDHLF LFRITSDRPL DATA SEQUENCE EELFLEQLEA PPPPG 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 238 F HA 0.000 nan 4.527 nan 0.000 0.279 238 F C 0.000 175.825 175.800 0.042 0.000 0.967 238 F CA 0.000 58.029 58.000 0.048 0.000 1.383 238 F CB 0.000 39.038 39.000 0.064 0.000 1.145 239 S N 3.564 119.478 115.700 0.355 0.000 2.661 239 S HA 0.647 5.116 4.470 -0.001 0.000 0.285 239 S C 1.000 175.718 174.600 0.197 0.000 1.138 239 S CA -0.918 57.429 58.200 0.245 0.000 0.855 239 S CB 1.786 65.069 63.200 0.138 0.000 1.136 239 S HN 0.331 nan 8.310 nan 0.000 0.484 240 I N 1.002 121.659 120.570 0.145 0.000 2.335 240 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 240 I C 2.079 178.228 176.117 0.054 0.000 1.129 240 I CA 1.476 62.831 61.300 0.090 0.000 1.402 240 I CB -0.430 37.593 38.000 0.038 0.000 1.069 240 I HN 0.708 nan 8.210 nan 0.000 0.424 241 E N 0.349 120.583 120.200 0.056 0.000 2.106 241 E HA -0.212 4.138 4.350 -0.001 0.000 0.192 241 E C 2.124 178.738 176.600 0.024 0.000 0.984 241 E CA 0.759 57.180 56.400 0.035 0.000 0.806 241 E CB -0.186 29.537 29.700 0.039 0.000 0.750 241 E HN 0.182 nan 8.360 nan 0.000 0.458 242 R N 0.203 120.718 120.500 0.026 0.000 2.236 242 R HA 0.131 4.470 4.340 -0.001 0.000 0.208 242 R C 1.642 177.922 176.300 -0.033 0.000 1.036 242 R CA 0.635 56.728 56.100 -0.012 0.000 1.001 242 R CB -0.068 30.214 30.300 -0.031 0.000 0.896 242 R HN 0.221 nan 8.270 nan 0.000 0.464 243 I N -0.621 119.948 120.570 -0.002 0.000 2.585 243 I HA -0.141 4.028 4.170 -0.001 0.000 0.254 243 I C 1.505 177.645 176.117 0.037 0.000 1.129 243 I CA 0.327 61.632 61.300 0.009 0.000 1.455 243 I CB -0.070 37.963 38.000 0.055 0.000 1.111 243 I HN 0.095 nan 8.210 nan 0.000 0.433 244 I N 1.075 121.654 120.570 0.016 0.000 2.226 244 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 244 I C 2.494 178.617 176.117 0.011 0.000 1.100 244 I CA 1.624 62.924 61.300 0.000 0.000 1.374 244 I CB -0.891 37.102 38.000 -0.011 0.000 1.057 244 I HN 0.344 nan 8.210 nan 0.000 0.413 245 E N 0.749 120.955 120.200 0.010 0.000 2.118 245 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 245 E C 2.274 178.885 176.600 0.019 0.000 0.992 245 E CA 1.460 57.866 56.400 0.009 0.000 0.804 245 E CB 0.086 29.785 29.700 -0.000 0.000 0.741 245 E HN 0.461 nan 8.360 nan 0.000 0.458 246 A N 0.957 123.793 122.820 0.028 0.000 1.877 246 A HA -0.240 4.080 4.320 -0.001 0.000 0.216 246 A C 1.932 179.611 177.584 0.158 0.000 1.186 246 A CA 1.718 53.789 52.037 0.058 0.000 0.620 246 A CB -0.521 18.476 19.000 -0.006 0.000 0.822 246 A HN 0.296 nan 8.150 nan 0.000 0.443 247 E N -0.462 119.836 120.200 0.162 0.000 2.023 247 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 247 E C 2.367 178.964 176.600 -0.005 0.000 1.003 247 E CA 1.568 57.978 56.400 0.017 0.000 0.809 247 E CB -0.246 29.391 29.700 -0.105 0.000 0.755 247 E HN 0.719 nan 8.360 nan 0.000 0.449 248 Q N 0.354 120.156 119.800 0.003 0.000 2.061 248 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 248 Q C 2.275 178.286 176.000 0.019 0.000 0.984 248 Q CA 1.393 57.200 55.803 0.007 0.000 0.846 248 Q CB -0.107 28.637 28.738 0.010 0.000 0.902 248 Q HN 0.179 nan 8.270 nan 0.000 0.421 249 R N 0.024 120.539 120.500 0.025 0.000 2.081 249 R HA -0.078 4.262 4.340 -0.001 0.000 0.235 249 R C 2.282 178.606 176.300 0.039 0.000 1.131 249 R CA 1.090 57.207 56.100 0.028 0.000 0.960 249 R CB -0.383 29.930 30.300 0.022 0.000 0.856 249 R HN 0.202 nan 8.270 nan 0.000 0.436 250 A N 1.406 124.255 122.820 0.050 0.000 1.972 250 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 250 A C 2.020 179.640 177.584 0.060 0.000 1.169 250 A CA 1.545 53.620 52.037 0.064 0.000 0.635 250 A CB -0.384 18.668 19.000 0.088 0.000 0.810 250 A HN 0.468 nan 8.150 nan 0.000 0.446 251 E N -0.228 119.993 120.200 0.034 0.000 2.274 251 E HA -0.129 4.220 4.350 -0.001 0.000 0.194 251 E C 1.639 178.260 176.600 0.035 0.000 0.996 251 E CA 1.593 58.010 56.400 0.028 0.000 0.840 251 E CB -0.047 29.659 29.700 0.009 0.000 0.772 251 E HN 0.680 nan 8.360 nan 0.000 0.491 252 T N -2.872 111.703 114.554 0.035 0.000 2.971 252 T HA 0.123 4.473 4.350 -0.001 0.000 0.252 252 T C 1.449 176.169 174.700 0.033 0.000 1.022 252 T CA -0.419 61.699 62.100 0.030 0.000 0.980 252 T CB 0.446 69.329 68.868 0.024 0.000 1.044 252 T HN -0.041 nan 8.240 nan 0.000 0.501 253 Q N 0.118 119.945 119.800 0.045 0.000 2.319 253 Q HA 0.316 4.655 4.340 -0.001 0.000 0.202 253 Q C 1.630 177.671 176.000 0.068 0.000 0.896 253 Q CA 0.148 55.980 55.803 0.049 0.000 0.942 253 Q CB -0.303 28.464 28.738 0.048 0.000 1.083 253 Q HN 0.598 nan 8.270 nan 0.000 0.510 254 C N -0.180 119.172 119.300 0.087 0.000 2.673 254 C HA 0.352 4.811 4.460 -0.001 0.000 0.264 254 C C 1.778 176.752 174.990 -0.026 0.000 1.304 254 C CA 0.255 59.336 59.018 0.105 0.000 1.727 254 C CB -0.831 27.061 27.740 0.254 0.000 1.932 254 C HN 0.718 nan 8.230 nan 0.000 0.563 255 G N 1.651 110.442 108.800 -0.015 0.000 2.629 255 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.313 255 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.313 255 G C 0.296 175.149 174.900 -0.079 0.000 1.217 255 G CA 0.923 45.996 45.100 -0.045 0.000 0.994 255 G HN 0.423 nan 8.290 nan 0.000 0.549 256 D N 1.771 122.100 120.400 -0.118 0.000 2.395 256 D HA 0.137 4.776 4.640 -0.001 0.000 0.213 256 D C 1.252 177.416 176.300 -0.227 0.000 1.110 256 D CA -0.056 53.863 54.000 -0.134 0.000 0.835 256 D CB 0.201 40.943 40.800 -0.096 0.000 0.965 256 D HN 0.381 nan 8.370 nan 0.000 0.505 257 R N 0.889 121.149 120.500 -0.401 0.000 2.679 257 R HA 0.424 4.763 4.340 -0.001 0.000 0.268 257 R C 0.082 175.995 176.300 -0.645 0.000 1.044 257 R CA 0.272 55.932 56.100 -0.733 0.000 1.105 257 R CB 0.759 30.171 30.300 -1.481 0.000 0.989 257 R HN -0.067 nan 8.270 nan 0.000 0.447 258 A N 2.208 124.787 122.820 -0.403 0.000 2.549 258 A HA 0.373 4.692 4.320 -0.001 0.000 0.297 258 A C -1.510 176.156 177.584 0.137 0.000 1.061 258 A CA -0.770 51.238 52.037 -0.048 0.000 0.690 258 A CB 1.646 20.624 19.000 -0.036 0.000 1.287 258 A HN 0.485 nan 8.150 nan 0.000 0.402 259 L N 2.890 124.254 121.223 0.235 0.000 2.352 259 L HA 0.413 4.753 4.340 -0.001 0.000 0.272 259 L C 0.943 177.865 176.870 0.087 0.000 1.109 259 L CA 0.177 55.121 54.840 0.174 0.000 0.952 259 L CB -0.065 42.077 42.059 0.138 0.000 1.314 259 L HN 0.754 nan 8.230 nan 0.000 0.427 260 T N 0.761 115.355 114.554 0.067 0.000 3.586 260 T HA -0.055 4.294 4.350 -0.001 0.000 0.225 260 T C 0.736 175.482 174.700 0.077 0.000 0.965 260 T CA 0.131 62.260 62.100 0.048 0.000 1.382 260 T CB -0.987 67.893 68.868 0.020 0.000 1.123 260 T HN 0.502 nan 8.240 nan 0.000 0.743 261 F N 2.549 122.433 119.950 -0.110 0.000 2.678 261 F HA 0.485 5.011 4.527 -0.001 0.000 0.291 261 F C -0.041 175.714 175.800 -0.076 0.000 1.123 261 F CA -0.967 56.941 58.000 -0.153 0.000 1.395 261 F CB 0.260 39.079 39.000 -0.301 0.000 1.121 261 F HN 0.340 nan 8.300 nan 0.000 0.592 262 L N 2.313 123.476 121.223 -0.100 0.000 2.307 262 L HA 0.508 4.848 4.340 -0.001 0.000 0.284 262 L C -0.453 176.373 176.870 -0.073 0.000 1.023 262 L CA -0.396 54.366 54.840 -0.129 0.000 0.810 262 L CB 1.559 43.621 42.059 0.005 0.000 1.231 262 L HN 0.259 nan 8.230 nan 0.000 0.423 263 R N 1.566 122.017 120.500 -0.082 0.000 2.664 263 R HA 0.611 4.951 4.340 -0.001 0.000 0.266 263 R C -0.948 175.334 176.300 -0.031 0.000 1.046 263 R CA -0.884 55.189 56.100 -0.045 0.000 0.885 263 R CB 0.774 31.042 30.300 -0.054 0.000 1.254 263 R HN 0.122 nan 8.270 nan 0.000 0.465 264 V N 0.933 120.843 119.914 -0.007 0.000 2.278 264 V HA 0.276 4.396 4.120 -0.001 0.000 0.231 264 V C 1.582 177.681 176.094 0.008 0.000 1.048 264 V CA 1.896 64.202 62.300 0.009 0.000 1.015 264 V CB -1.116 30.719 31.823 0.020 0.000 0.652 264 V HN 1.194 nan 8.190 nan 0.000 0.466 265 G N 0.602 109.408 108.800 0.008 0.000 2.520 265 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.248 265 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.248 265 G C -1.278 173.647 174.900 0.041 0.000 1.161 265 G CA 0.337 45.441 45.100 0.007 0.000 0.946 265 G HN 0.516 nan 8.290 nan 0.000 0.565 266 P HA 0.324 nan 4.420 nan 0.000 0.245 266 P C 0.712 178.237 177.300 0.375 0.000 1.146 266 P CA 0.867 64.072 63.100 0.176 0.000 0.923 266 P CB 0.562 32.353 31.700 0.152 0.000 1.081 267 Y N 0.598 120.905 120.300 0.012 0.000 2.458 267 Y HA 0.323 4.872 4.550 -0.001 0.000 0.256 267 Y C 0.921 176.840 175.900 0.032 0.000 1.159 267 Y CA -1.239 56.873 58.100 0.020 0.000 1.261 267 Y CB -0.629 37.841 38.460 0.017 0.000 1.119 267 Y HN -0.174 nan 8.280 nan 0.000 0.524 268 S N 0.765 116.574 115.700 0.182 0.000 2.544 268 S HA -0.007 4.462 4.470 -0.001 0.000 0.290 268 S C 0.820 175.489 174.600 0.115 0.000 1.276 268 S CA 0.264 58.543 58.200 0.131 0.000 1.075 268 S CB 0.255 63.506 63.200 0.084 0.000 0.849 268 S HN 0.195 nan 8.310 nan 0.000 0.494 269 T N 4.165 118.805 114.554 0.145 0.000 4.313 269 T HA 0.259 4.609 4.350 -0.001 0.000 0.272 269 T C -0.213 174.528 174.700 0.068 0.000 1.298 269 T CA -0.117 62.061 62.100 0.130 0.000 1.124 269 T CB -0.711 68.280 68.868 0.205 0.000 1.352 269 T HN 0.318 nan 8.240 nan 0.000 1.013 270 V N 2.761 122.689 119.914 0.023 0.000 2.531 270 V HA 0.290 4.410 4.120 -0.001 0.000 0.301 270 V C 0.030 176.129 176.094 0.009 0.000 1.034 270 V CA -1.259 61.019 62.300 -0.037 0.000 0.865 270 V CB 2.058 33.858 31.823 -0.038 0.000 0.995 270 V HN 0.431 nan 8.190 nan 0.000 0.424 271 Q N 6.045 125.847 119.800 0.004 0.000 2.304 271 Q HA 0.061 4.400 4.340 -0.001 0.000 0.301 271 Q C -1.316 174.757 176.000 0.121 0.000 1.063 271 Q CA -1.084 54.762 55.803 0.072 0.000 0.947 271 Q CB 0.866 29.668 28.738 0.106 0.000 1.201 271 Q HN 0.476 nan 8.270 nan 0.000 0.389 272 P HA -0.179 nan 4.420 nan 0.000 0.219 272 P C 0.164 177.491 177.300 0.045 0.000 1.146 272 P CA 1.095 64.231 63.100 0.059 0.000 0.808 272 P CB 0.430 32.151 31.700 0.035 0.000 0.779 273 D N -1.211 119.222 120.400 0.055 0.000 2.310 273 D HA -0.112 4.528 4.640 -0.001 0.000 0.212 273 D C 0.853 176.993 176.300 -0.267 0.000 0.965 273 D CA 1.049 54.978 54.000 -0.117 0.000 0.879 273 D CB -0.380 40.297 40.800 -0.206 0.000 0.921 273 D HN 0.366 nan 8.370 nan 0.000 0.510 274 Y N 0.015 120.297 120.300 -0.030 0.000 2.636 274 Y HA 0.254 4.804 4.550 -0.001 0.000 0.260 274 Y C 1.751 177.634 175.900 -0.028 0.000 1.177 274 Y CA -0.467 57.612 58.100 -0.035 0.000 1.209 274 Y CB 0.375 38.797 38.460 -0.063 0.000 1.166 274 Y HN -0.214 nan 8.280 nan 0.000 0.531 275 K N 0.109 120.560 120.400 0.085 0.000 2.057 275 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 275 K C 2.355 178.984 176.600 0.049 0.000 1.050 275 K CA 1.210 57.531 56.287 0.056 0.000 0.935 275 K CB -0.399 32.123 32.500 0.037 0.000 0.715 275 K HN 0.496 nan 8.250 nan 0.000 0.439 276 G N 1.486 110.305 108.800 0.031 0.000 2.459 276 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.217 276 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.217 276 G C 1.647 176.589 174.900 0.070 0.000 1.183 276 G CA 1.210 46.330 45.100 0.034 0.000 0.776 276 G HN 0.366 nan 8.290 nan 0.000 0.552 277 A N 0.023 122.894 122.820 0.085 0.000 1.865 277 A HA 0.014 4.334 4.320 -0.001 0.000 0.217 277 A C 2.630 180.319 177.584 0.175 0.000 1.191 277 A CA 2.110 54.235 52.037 0.147 0.000 0.623 277 A CB -0.814 18.284 19.000 0.163 0.000 0.826 277 A HN 0.314 nan 8.150 nan 0.000 0.444 278 V N 1.042 121.029 119.914 0.122 0.000 2.407 278 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 278 V C 2.953 179.103 176.094 0.093 0.000 1.055 278 V CA 2.341 64.697 62.300 0.092 0.000 1.049 278 V CB -0.893 30.945 31.823 0.025 0.000 0.662 278 V HN 0.830 nan 8.190 nan 0.000 0.455 279 S N 0.790 116.535 115.700 0.074 0.000 2.423 279 S HA -0.054 4.415 4.470 -0.001 0.000 0.231 279 S C 2.022 176.655 174.600 0.056 0.000 1.014 279 S CA 1.109 59.340 58.200 0.052 0.000 0.965 279 S CB -0.315 62.906 63.200 0.035 0.000 0.785 279 S HN 0.547 nan 8.310 nan 0.000 0.495 280 A N 1.804 124.682 122.820 0.097 0.000 1.929 280 A HA 0.175 4.494 4.320 -0.001 0.000 0.216 280 A C 2.170 179.776 177.584 0.037 0.000 1.176 280 A CA 1.314 53.407 52.037 0.093 0.000 0.628 280 A CB -0.798 18.329 19.000 0.213 0.000 0.816 280 A HN 0.530 nan 8.150 nan 0.000 0.444 281 L N -0.198 121.120 121.223 0.158 0.000 2.083 281 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 281 L C 2.377 179.276 176.870 0.049 0.000 1.083 281 L CA 2.038 56.966 54.840 0.148 0.000 0.752 281 L CB -0.913 41.332 42.059 0.310 0.000 0.899 281 L HN 0.444 nan 8.230 nan 0.000 0.433 282 C N -0.701 118.634 119.300 0.058 0.000 2.429 282 C HA -0.188 4.271 4.460 -0.001 0.000 0.277 282 C C 2.773 177.770 174.990 0.011 0.000 1.262 282 C CA 1.173 60.218 59.018 0.044 0.000 1.733 282 C CB -0.893 26.865 27.740 0.030 0.000 2.010 282 C HN 0.668 nan 8.230 nan 0.000 0.483 283 Q N 0.234 120.020 119.800 -0.022 0.000 2.084 283 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 283 Q C 2.231 178.185 176.000 -0.076 0.000 0.978 283 Q CA 1.634 57.411 55.803 -0.044 0.000 0.844 283 Q CB -0.032 28.673 28.738 -0.054 0.000 0.898 283 Q HN 0.559 nan 8.270 nan 0.000 0.426 284 V N -0.208 119.611 119.914 -0.158 0.000 2.255 284 V HA -0.272 3.848 4.120 -0.001 0.000 0.247 284 V C 2.268 178.327 176.094 -0.058 0.000 1.051 284 V CA 1.689 63.866 62.300 -0.205 0.000 1.018 284 V CB -0.469 31.082 31.823 -0.452 0.000 0.641 284 V HN 0.256 nan 8.190 nan 0.000 0.445 285 V N 0.604 120.523 119.914 0.009 0.000 2.343 285 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 285 V C 2.254 178.419 176.094 0.120 0.000 1.051 285 V CA 2.042 64.409 62.300 0.111 0.000 1.036 285 V CB -0.917 31.021 31.823 0.191 0.000 0.654 285 V HN 0.576 nan 8.190 nan 0.000 0.451 286 N N 0.242 118.991 118.700 0.082 0.000 2.289 286 N HA -0.130 4.610 4.740 -0.001 0.000 0.184 286 N C 1.779 177.348 175.510 0.099 0.000 1.016 286 N CA 1.132 54.234 53.050 0.085 0.000 0.872 286 N CB -0.191 38.328 38.487 0.054 0.000 0.973 286 N HN 0.555 nan 8.380 nan 0.000 0.433 287 K N 0.740 121.177 120.400 0.062 0.000 2.116 287 K HA 0.029 4.349 4.320 -0.001 0.000 0.203 287 K C 1.899 178.574 176.600 0.124 0.000 1.052 287 K CA 0.634 56.960 56.287 0.065 0.000 0.952 287 K CB 0.019 32.516 32.500 -0.004 0.000 0.729 287 K HN 0.261 nan 8.250 nan 0.000 0.446 288 Q N 0.701 120.562 119.800 0.103 0.000 2.224 288 Q HA -0.051 4.288 4.340 -0.001 0.000 0.203 288 Q C 2.102 178.190 176.000 0.148 0.000 0.970 288 Q CA 0.807 56.677 55.803 0.111 0.000 0.865 288 Q CB 0.027 28.825 28.738 0.100 0.000 0.922 288 Q HN 0.296 nan 8.270 nan 0.000 0.445 289 L N -0.469 120.858 121.223 0.174 0.000 2.056 289 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 289 L C 2.229 179.206 176.870 0.179 0.000 1.078 289 L CA 0.952 55.900 54.840 0.179 0.000 0.749 289 L CB -0.308 41.818 42.059 0.112 0.000 0.901 289 L HN 0.211 nan 8.230 nan 0.000 0.433 290 F N 0.801 120.789 119.950 0.062 0.000 2.095 290 F HA -0.300 4.226 4.527 -0.001 0.000 0.298 290 F C 2.620 178.446 175.800 0.043 0.000 1.104 290 F CA 1.763 59.794 58.000 0.052 0.000 1.232 290 F CB -0.150 38.868 39.000 0.030 0.000 0.987 290 F HN 0.055 nan 8.300 nan 0.000 0.475 291 Q N -0.316 119.642 119.800 0.263 0.000 2.124 291 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 291 Q C 2.378 178.407 176.000 0.048 0.000 0.977 291 Q CA 2.053 57.948 55.803 0.153 0.000 0.850 291 Q CB -0.343 28.473 28.738 0.130 0.000 0.901 291 Q HN 0.562 nan 8.270 nan 0.000 0.429 292 M N 0.124 119.749 119.600 0.042 0.000 2.108 292 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 292 M C 1.920 178.200 176.300 -0.034 0.000 1.066 292 M CA 1.340 56.661 55.300 0.036 0.000 1.107 292 M CB 0.034 32.667 32.600 0.055 0.000 1.356 292 M HN 0.102 nan 8.290 nan 0.000 0.406 293 V N 0.887 120.719 119.914 -0.137 0.000 2.343 293 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 293 V C 2.313 178.253 176.094 -0.257 0.000 1.051 293 V CA 1.835 63.984 62.300 -0.252 0.000 1.036 293 V CB -0.841 30.830 31.823 -0.253 0.000 0.654 293 V HN 0.477 nan 8.190 nan 0.000 0.451 294 E N -0.716 119.350 120.200 -0.224 0.000 2.208 294 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 294 E C 1.949 178.482 176.600 -0.112 0.000 0.988 294 E CA 1.171 57.474 56.400 -0.162 0.000 0.828 294 E CB -0.402 29.237 29.700 -0.102 0.000 0.763 294 E HN 0.811 nan 8.360 nan 0.000 0.478 295 Y N 1.569 121.741 120.300 -0.214 0.000 2.114 295 Y HA -0.163 4.386 4.550 -0.001 0.000 0.284 295 Y C 2.265 177.960 175.900 -0.342 0.000 1.143 295 Y CA 1.774 59.740 58.100 -0.224 0.000 1.135 295 Y CB -0.647 37.692 38.460 -0.202 0.000 0.980 295 Y HN -0.024 nan 8.280 nan 0.000 0.499 296 A N 0.918 123.257 122.820 -0.801 0.000 1.933 296 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 296 A C 2.373 179.361 177.584 -0.994 0.000 1.175 296 A CA 1.855 53.080 52.037 -1.354 0.000 0.628 296 A CB -0.917 17.062 19.000 -1.703 0.000 0.814 296 A HN 0.598 nan 8.150 nan 0.000 0.444 297 R N -0.913 119.304 120.500 -0.472 0.000 2.193 297 R HA 0.019 4.359 4.340 -0.001 0.000 0.229 297 R C 1.601 177.835 176.300 -0.110 0.000 1.110 297 R CA 1.729 57.759 56.100 -0.117 0.000 0.988 297 R CB -0.267 29.986 30.300 -0.080 0.000 0.871 297 R HN 0.526 nan 8.270 nan 0.000 0.458 298 M N -0.324 119.148 119.600 -0.212 0.000 2.371 298 M HA 0.183 4.663 4.480 -0.001 0.000 0.246 298 M C -0.168 176.001 176.300 -0.219 0.000 1.103 298 M CA -0.247 54.953 55.300 -0.166 0.000 1.010 298 M CB 0.585 33.109 32.600 -0.127 0.000 1.457 298 M HN 0.050 nan 8.290 nan 0.000 0.486 299 M N 1.535 120.934 119.600 -0.336 0.000 2.243 299 M HA 0.234 4.714 4.480 -0.001 0.000 0.341 299 M C -2.163 174.053 176.300 -0.140 0.000 1.130 299 M CA -2.184 52.919 55.300 -0.327 0.000 1.162 299 M CB -0.400 31.874 32.600 -0.544 0.000 1.497 299 M HN -0.248 nan 8.290 nan 0.000 0.456 300 P HA -0.014 nan 4.420 nan 0.000 0.261 300 P C 0.053 177.386 177.300 0.055 0.000 1.183 300 P CA 0.733 63.688 63.100 -0.243 0.000 0.761 300 P CB 0.149 31.406 31.700 -0.737 0.000 0.785 301 H N 0.046 119.099 119.070 -0.028 0.000 4.188 301 H HA -0.257 4.298 4.556 -0.001 0.000 0.157 301 H C 1.221 176.586 175.328 0.061 0.000 0.845 301 H CA 1.430 57.486 56.048 0.013 0.000 1.246 301 H CB -1.757 28.005 29.762 -0.001 0.000 0.933 301 H HN 0.448 nan 8.280 nan 0.000 0.413 302 F N 1.718 121.716 119.950 0.081 0.000 2.091 302 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 302 F C 2.501 178.291 175.800 -0.016 0.000 1.103 302 F CA 2.357 60.380 58.000 0.037 0.000 1.228 302 F CB -0.254 38.705 39.000 -0.068 0.000 0.984 302 F HN 0.218 nan 8.300 nan 0.000 0.477 303 A N -0.725 122.132 122.820 0.062 0.000 2.235 303 A HA -0.041 4.279 4.320 -0.001 0.000 0.208 303 A C 1.780 179.308 177.584 -0.093 0.000 1.172 303 A CA 0.655 52.664 52.037 -0.046 0.000 0.786 303 A CB -0.445 18.575 19.000 0.033 0.000 0.804 303 A HN 0.495 nan 8.150 nan 0.000 0.479 304 Q N -0.376 119.379 119.800 -0.075 0.000 2.302 304 Q HA 0.080 4.419 4.340 -0.001 0.000 0.202 304 Q C 1.176 177.131 176.000 -0.074 0.000 0.936 304 Q CA 0.936 56.710 55.803 -0.048 0.000 0.886 304 Q CB -1.059 27.689 28.738 0.018 0.000 0.986 304 Q HN 0.628 nan 8.270 nan 0.000 0.487 305 V N 0.091 119.925 119.914 -0.133 0.000 3.003 305 V HA 0.352 4.471 4.120 -0.001 0.000 0.305 305 V C -2.254 173.744 176.094 -0.160 0.000 1.078 305 V CA -2.090 60.126 62.300 -0.139 0.000 1.083 305 V CB 0.126 31.848 31.823 -0.169 0.000 1.039 305 V HN -0.028 nan 8.190 nan 0.000 0.481 306 P HA 0.033 nan 4.420 nan 0.000 0.267 306 P C 1.104 178.325 177.300 -0.133 0.000 1.201 306 P CA 0.060 63.099 63.100 -0.100 0.000 0.775 306 P CB 0.719 32.379 31.700 -0.068 0.000 0.854 307 L N 1.226 122.388 121.223 -0.102 0.000 2.013 307 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 307 L C 1.939 178.761 176.870 -0.080 0.000 1.073 307 L CA 1.869 56.653 54.840 -0.094 0.000 0.753 307 L CB -0.605 41.423 42.059 -0.052 0.000 0.890 307 L HN 0.353 nan 8.230 nan 0.000 0.432 308 D N -0.193 120.173 120.400 -0.057 0.000 2.158 308 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 308 D C 1.750 178.023 176.300 -0.045 0.000 0.995 308 D CA 1.358 55.337 54.000 -0.036 0.000 0.846 308 D CB -0.244 40.541 40.800 -0.025 0.000 0.941 308 D HN 0.394 nan 8.370 nan 0.000 0.456 309 D N 0.293 120.646 120.400 -0.079 0.000 2.194 309 D HA -0.061 4.578 4.640 -0.001 0.000 0.204 309 D C 2.112 178.334 176.300 -0.129 0.000 0.964 309 D CA 0.453 54.402 54.000 -0.085 0.000 0.846 309 D CB -0.057 40.683 40.800 -0.100 0.000 0.962 309 D HN 0.349 nan 8.370 nan 0.000 0.490 310 Q N 0.322 119.983 119.800 -0.232 0.000 2.084 310 Q HA -0.090 4.250 4.340 -0.001 0.000 0.202 310 Q C 2.373 178.343 176.000 -0.051 0.000 0.978 310 Q CA 0.818 56.419 55.803 -0.335 0.000 0.844 310 Q CB 0.096 28.552 28.738 -0.469 0.000 0.898 310 Q HN 0.128 nan 8.270 nan 0.000 0.426 311 V N 1.046 120.944 119.914 -0.027 0.000 2.295 311 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 311 V C 2.122 178.256 176.094 0.067 0.000 1.049 311 V CA 1.559 63.885 62.300 0.044 0.000 1.024 311 V CB -0.404 31.462 31.823 0.071 0.000 0.648 311 V HN 0.354 nan 8.190 nan 0.000 0.447 312 I N -0.502 120.095 120.570 0.045 0.000 2.226 312 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 312 I C 2.309 178.469 176.117 0.073 0.000 1.100 312 I CA 1.513 62.851 61.300 0.064 0.000 1.374 312 I CB -0.309 37.715 38.000 0.040 0.000 1.057 312 I HN 0.269 nan 8.210 nan 0.000 0.413 313 L N 0.127 121.387 121.223 0.060 0.000 2.046 313 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 313 L C 2.517 179.423 176.870 0.060 0.000 1.077 313 L CA 1.367 56.261 54.840 0.089 0.000 0.747 313 L CB -0.503 41.657 42.059 0.169 0.000 0.896 313 L HN 0.260 nan 8.230 nan 0.000 0.432 314 L N -0.282 120.921 121.223 -0.032 0.000 2.093 314 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 314 L C 2.646 179.535 176.870 0.031 0.000 1.085 314 L CA 0.943 55.625 54.840 -0.265 0.000 0.755 314 L CB -0.380 41.093 42.059 -0.975 0.000 0.904 314 L HN 0.182 nan 8.230 nan 0.000 0.435 315 K N 0.722 121.251 120.400 0.215 0.000 2.147 315 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 315 K C 1.901 178.742 176.600 0.402 0.000 1.049 315 K CA 1.533 58.086 56.287 0.444 0.000 0.936 315 K CB -0.162 32.515 32.500 0.295 0.000 0.722 315 K HN 0.230 nan 8.250 nan 0.000 0.446 316 A N -0.181 122.776 122.820 0.229 0.000 1.935 316 A HA 0.217 4.537 4.320 -0.001 0.000 0.214 316 A C 2.163 179.816 177.584 0.116 0.000 1.178 316 A CA 1.301 53.429 52.037 0.152 0.000 0.640 316 A CB -0.465 18.593 19.000 0.097 0.000 0.825 316 A HN 0.369 nan 8.150 nan 0.000 0.447 317 A N -0.542 122.355 122.820 0.128 0.000 2.169 317 A HA 0.153 4.473 4.320 -0.001 0.000 0.210 317 A C 1.869 179.516 177.584 0.106 0.000 1.168 317 A CA 0.608 52.689 52.037 0.074 0.000 0.813 317 A CB -0.792 18.231 19.000 0.038 0.000 0.861 317 A HN 0.925 nan 8.150 nan 0.000 0.481 318 W N 1.074 122.397 121.300 0.039 0.000 2.302 318 W HA -0.276 4.383 4.660 -0.001 0.000 0.320 318 W C 1.314 177.877 176.519 0.072 0.000 1.241 318 W CA 1.683 59.070 57.345 0.070 0.000 1.264 318 W CB -1.247 28.325 29.460 0.186 0.000 1.154 318 W HN 0.276 nan 8.180 nan 0.000 0.483 319 I N 1.521 121.648 120.570 -0.738 0.000 2.226 319 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 319 I C 2.673 178.630 176.117 -0.266 0.000 1.100 319 I CA 2.067 62.928 61.300 -0.730 0.000 1.374 319 I CB -0.651 36.805 38.000 -0.907 0.000 1.057 319 I HN 0.032 nan 8.210 nan 0.000 0.413 320 E N 0.734 120.823 120.200 -0.185 0.000 2.153 320 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 320 E C 2.330 178.898 176.600 -0.054 0.000 0.988 320 E CA 1.034 57.378 56.400 -0.093 0.000 0.811 320 E CB -0.072 29.589 29.700 -0.065 0.000 0.746 320 E HN 0.496 nan 8.360 nan 0.000 0.466 321 L N 0.589 121.793 121.223 -0.031 0.000 2.056 321 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 321 L C 2.429 179.288 176.870 -0.018 0.000 1.078 321 L CA 0.786 55.608 54.840 -0.030 0.000 0.749 321 L CB -0.328 41.723 42.059 -0.013 0.000 0.901 321 L HN 0.173 nan 8.230 nan 0.000 0.433 322 L N -0.341 120.899 121.223 0.028 0.000 2.017 322 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 322 L C 2.505 179.396 176.870 0.035 0.000 1.073 322 L CA 1.461 56.335 54.840 0.057 0.000 0.745 322 L CB -0.464 41.672 42.059 0.128 0.000 0.894 322 L HN 0.231 nan 8.230 nan 0.000 0.432 323 I N 0.059 120.632 120.570 0.006 0.000 2.454 323 I HA -0.256 3.914 4.170 -0.001 0.000 0.254 323 I C 2.758 178.887 176.117 0.019 0.000 1.156 323 I CA 0.965 62.271 61.300 0.010 0.000 1.433 323 I CB -0.405 37.586 38.000 -0.016 0.000 1.082 323 I HN 0.207 nan 8.210 nan 0.000 0.432 324 A N 0.866 123.688 122.820 0.004 0.000 1.930 324 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 324 A C 2.024 179.637 177.584 0.048 0.000 1.175 324 A CA 1.961 54.004 52.037 0.009 0.000 0.627 324 A CB -0.871 18.109 19.000 -0.033 0.000 0.815 324 A HN 0.474 nan 8.150 nan 0.000 0.443 325 N N -0.197 118.525 118.700 0.037 0.000 2.188 325 N HA -0.110 4.629 4.740 -0.001 0.000 0.184 325 N C 1.727 177.318 175.510 0.134 0.000 1.018 325 N CA 1.423 54.522 53.050 0.082 0.000 0.858 325 N CB -0.190 38.320 38.487 0.038 0.000 0.989 325 N HN 0.467 nan 8.380 nan 0.000 0.426 326 V N -1.219 118.756 119.914 0.102 0.000 2.548 326 V HA 0.047 4.166 4.120 -0.001 0.000 0.249 326 V C 2.083 178.234 176.094 0.094 0.000 1.055 326 V CA 1.526 63.890 62.300 0.107 0.000 1.065 326 V CB -0.862 31.015 31.823 0.090 0.000 0.681 326 V HN 0.180 nan 8.190 nan 0.000 0.462 327 A N 0.046 122.922 122.820 0.092 0.000 1.902 327 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 327 A C 2.122 179.784 177.584 0.131 0.000 1.181 327 A CA 1.772 53.859 52.037 0.084 0.000 0.623 327 A CB -1.095 17.954 19.000 0.081 0.000 0.818 327 A HN 0.853 nan 8.150 nan 0.000 0.443 328 W N 0.375 121.657 121.300 -0.031 0.000 2.354 328 W HA -0.233 4.427 4.660 -0.001 0.000 0.315 328 W C 2.147 178.631 176.519 -0.059 0.000 1.206 328 W CA 1.718 59.038 57.345 -0.041 0.000 1.290 328 W CB -0.422 29.013 29.460 -0.042 0.000 1.152 328 W HN 0.417 nan 8.180 nan 0.000 0.489 329 C N 0.586 119.884 119.300 -0.003 0.000 2.413 329 C HA -0.193 4.266 4.460 -0.001 0.000 0.276 329 C C 2.538 177.355 174.990 -0.289 0.000 1.248 329 C CA 1.619 60.540 59.018 -0.162 0.000 1.742 329 C CB -1.508 26.249 27.740 0.028 0.000 2.017 329 C HN 0.274 nan 8.230 nan 0.000 0.481 330 S N 0.586 116.231 115.700 -0.091 0.000 2.727 330 S HA 0.126 4.596 4.470 -0.001 0.000 0.226 330 S C 1.208 175.722 174.600 -0.144 0.000 0.963 330 S CA 0.473 58.652 58.200 -0.036 0.000 0.950 330 S CB -0.458 62.782 63.200 0.066 0.000 0.779 330 S HN 0.601 nan 8.310 nan 0.000 0.532 331 I N -0.054 120.348 120.570 -0.279 0.000 3.030 331 I HA -0.031 4.138 4.170 -0.001 0.000 0.270 331 I C 1.975 177.912 176.117 -0.299 0.000 1.211 331 I CA 0.358 61.487 61.300 -0.285 0.000 1.479 331 I CB -0.066 37.677 38.000 -0.427 0.000 1.105 331 I HN 0.170 nan 8.210 nan 0.000 0.447 332 V N 1.196 120.872 119.914 -0.398 0.000 2.261 332 V HA -0.313 3.806 4.120 -0.001 0.000 0.246 332 V C 2.687 178.642 176.094 -0.232 0.000 1.047 332 V CA 2.483 64.566 62.300 -0.362 0.000 1.015 332 V CB -0.736 30.781 31.823 -0.510 0.000 0.642 332 V HN 0.606 nan 8.190 nan 0.000 0.446 333 S N 0.199 115.777 115.700 -0.203 0.000 2.365 333 S HA -0.143 4.326 4.470 -0.001 0.000 0.225 333 S C 1.169 175.770 174.600 0.001 0.000 1.039 333 S CA 0.947 59.147 58.200 -0.001 0.000 1.033 333 S CB -0.959 62.365 63.200 0.207 0.000 0.887 333 S HN 0.423 nan 8.310 nan 0.000 0.447 361 P HA 0.135 nan 4.420 nan 0.000 0.268 361 P C -0.187 177.220 177.300 0.178 0.000 1.208 361 P CA 0.407 63.566 63.100 0.098 0.000 0.777 361 P CB 1.113 32.844 31.700 0.052 0.000 0.875 362 Q N 0.663 120.578 119.800 0.193 0.000 2.353 362 Q HA 0.107 4.446 4.340 -0.001 0.000 0.240 362 Q C 0.968 177.167 176.000 0.332 0.000 0.868 362 Q CA 0.522 56.488 55.803 0.272 0.000 0.944 362 Q CB 0.278 29.145 28.738 0.214 0.000 1.104 362 Q HN 0.707 nan 8.270 nan 0.000 0.531 363 Q N -0.343 119.580 119.800 0.204 0.000 2.337 363 Q HA 0.697 5.036 4.340 -0.001 0.000 0.266 363 Q C -1.749 174.253 176.000 0.003 0.000 1.023 363 Q CA -0.948 54.898 55.803 0.072 0.000 0.829 363 Q CB 2.246 30.985 28.738 0.002 0.000 1.306 363 Q HN 0.372 nan 8.270 nan 0.000 0.449 364 L N 2.892 124.055 121.223 -0.100 0.000 2.343 364 L HA 0.513 4.853 4.340 -0.001 0.000 0.278 364 L C -1.721 175.098 176.870 -0.085 0.000 0.996 364 L CA -0.201 54.552 54.840 -0.146 0.000 0.831 364 L CB 0.813 42.615 42.059 -0.427 0.000 1.232 364 L HN 0.427 nan 8.230 nan 0.000 0.413 365 F N 5.044 124.955 119.950 -0.065 0.000 2.404 365 F HA 0.375 4.902 4.527 -0.001 0.000 0.339 365 F C 0.693 176.509 175.800 0.027 0.000 1.105 365 F CA -0.376 57.606 58.000 -0.031 0.000 1.087 365 F CB 1.418 40.392 39.000 -0.043 0.000 1.143 365 F HN 0.353 nan 8.300 nan 0.000 0.491 366 L N 1.796 123.154 121.223 0.225 0.000 2.515 366 L HA 0.261 4.601 4.340 -0.001 0.000 0.223 366 L C 0.371 177.344 176.870 0.172 0.000 1.079 366 L CA 0.656 55.611 54.840 0.192 0.000 0.857 366 L CB -0.522 41.657 42.059 0.201 0.000 1.050 366 L HN 0.591 nan 8.230 nan 0.000 0.476 367 N N -3.102 115.732 118.700 0.224 0.000 3.600 367 N HA 0.366 5.106 4.740 -0.001 0.000 0.348 367 N C 0.607 176.260 175.510 0.240 0.000 1.649 367 N CA 0.330 53.488 53.050 0.180 0.000 0.710 367 N CB 0.469 39.046 38.487 0.151 0.000 2.380 367 N HN -0.209 nan 8.380 nan 0.000 0.631 368 Q N -0.220 119.686 119.800 0.177 0.000 2.373 368 Q HA 0.108 4.448 4.340 -0.001 0.000 0.210 368 Q C 1.222 177.365 176.000 0.238 0.000 0.913 368 Q CA 1.383 57.276 55.803 0.151 0.000 0.911 368 Q CB -0.116 28.662 28.738 0.066 0.000 1.040 368 Q HN 0.569 nan 8.270 nan 0.000 0.521 369 S N -2.036 113.788 115.700 0.206 0.000 2.754 369 S HA 0.576 5.046 4.470 -0.001 0.000 0.247 369 S C -0.527 174.169 174.600 0.160 0.000 1.031 369 S CA -0.536 57.764 58.200 0.167 0.000 1.014 369 S CB -0.252 63.020 63.200 0.119 0.000 0.918 369 S HN 0.430 nan 8.310 nan 0.000 0.519 370 F N 2.894 122.820 119.950 -0.040 0.000 2.671 370 F HA 0.626 5.153 4.527 -0.001 0.000 0.332 370 F C -0.377 175.204 175.800 -0.364 0.000 1.189 370 F CA -0.231 57.656 58.000 -0.189 0.000 0.988 370 F CB 1.531 40.445 39.000 -0.144 0.000 1.258 370 F HN 0.271 nan 8.300 nan 0.000 0.471 371 S N 3.461 118.678 115.700 -0.805 0.000 2.697 371 S HA 0.775 5.244 4.470 -0.001 0.000 0.289 371 S C -1.921 172.124 174.600 -0.924 0.000 1.149 371 S CA -0.716 56.922 58.200 -0.937 0.000 0.850 371 S CB 2.337 64.663 63.200 -1.457 0.000 1.151 371 S HN 0.412 nan 8.310 nan 0.000 0.491 372 Y N 0.106 120.136 120.300 -0.450 0.000 2.421 372 Y HA 0.481 5.030 4.550 -0.001 0.000 0.339 372 Y C 0.179 175.940 175.900 -0.232 0.000 0.996 372 Y CA -0.807 57.144 58.100 -0.248 0.000 1.046 372 Y CB 1.466 39.952 38.460 0.043 0.000 1.226 372 Y HN 0.717 nan 8.280 nan 0.000 0.445 373 H N 1.925 121.076 119.070 0.135 0.000 2.482 373 H HA 0.291 4.847 4.556 -0.001 0.000 0.344 373 H C 1.062 176.301 175.328 -0.148 0.000 1.151 373 H CA -0.309 55.778 56.048 0.065 0.000 1.300 373 H CB 1.662 31.421 29.762 -0.005 0.000 1.494 373 H HN 0.708 nan 8.280 nan 0.000 0.542 374 R N 1.509 121.945 120.500 -0.108 0.000 2.103 374 R HA -0.189 4.150 4.340 -0.001 0.000 0.242 374 R C 1.905 177.961 176.300 -0.407 0.000 1.142 374 R CA 1.869 57.639 56.100 -0.551 0.000 0.960 374 R CB -0.028 30.172 30.300 -0.166 0.000 0.858 374 R HN 0.720 nan 8.270 nan 0.000 0.439 375 N N -0.322 118.273 118.700 -0.174 0.000 2.137 375 N HA -0.162 4.578 4.740 -0.001 0.000 0.190 375 N C 1.378 176.781 175.510 -0.177 0.000 1.017 375 N CA 1.951 54.918 53.050 -0.139 0.000 0.859 375 N CB -0.464 37.981 38.487 -0.070 0.000 1.002 375 N HN 0.089 nan 8.380 nan 0.000 0.428 376 S N 0.963 116.555 115.700 -0.180 0.000 2.382 376 S HA 0.056 4.526 4.470 -0.001 0.000 0.228 376 S C 2.234 176.628 174.600 -0.344 0.000 1.027 376 S CA 0.978 59.055 58.200 -0.204 0.000 0.991 376 S CB -0.357 62.761 63.200 -0.137 0.000 0.823 376 S HN 0.682 nan 8.310 nan 0.000 0.469 377 A N 1.911 124.430 122.820 -0.501 0.000 1.835 377 A HA -0.047 4.273 4.320 -0.001 0.000 0.215 377 A C 2.041 179.425 177.584 -0.333 0.000 1.199 377 A CA 1.309 53.032 52.037 -0.523 0.000 0.615 377 A CB -0.914 17.513 19.000 -0.954 0.000 0.838 377 A HN 0.443 nan 8.150 nan 0.000 0.444 378 I N -0.319 120.071 120.570 -0.300 0.000 2.145 378 I HA -0.333 3.836 4.170 -0.001 0.000 0.244 378 I C 2.559 178.576 176.117 -0.167 0.000 1.075 378 I CA 2.089 63.279 61.300 -0.185 0.000 1.332 378 I CB -0.293 37.617 38.000 -0.149 0.000 1.033 378 I HN 0.373 nan 8.210 nan 0.000 0.410 379 K N 0.870 121.157 120.400 -0.189 0.000 2.280 379 K HA -0.125 4.195 4.320 -0.001 0.000 0.202 379 K C 1.861 178.306 176.600 -0.258 0.000 1.047 379 K CA 1.249 57.420 56.287 -0.194 0.000 0.942 379 K CB 0.024 32.419 32.500 -0.175 0.000 0.739 379 K HN 0.371 nan 8.250 nan 0.000 0.457 380 A N -0.286 122.372 122.820 -0.270 0.000 2.220 380 A HA 0.235 4.554 4.320 -0.001 0.000 0.211 380 A C 1.167 178.632 177.584 -0.197 0.000 1.176 380 A CA 0.685 52.539 52.037 -0.305 0.000 0.834 380 A CB 0.114 18.905 19.000 -0.348 0.000 0.868 380 A HN 0.405 nan 8.150 nan 0.000 0.488 381 G N -0.850 107.871 108.800 -0.130 0.000 2.149 381 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.235 381 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.235 381 G C 0.453 175.360 174.900 0.012 0.000 1.018 381 G CA 0.630 45.713 45.100 -0.027 0.000 0.728 381 G HN 1.638 nan 8.290 nan 0.000 0.508 382 V N -2.126 117.747 119.914 -0.069 0.000 2.925 382 V HA 0.563 4.682 4.120 -0.001 0.000 0.361 382 V C 1.731 177.824 176.094 -0.003 0.000 1.361 382 V CA 0.977 63.231 62.300 -0.075 0.000 1.184 382 V CB -0.173 31.515 31.823 -0.225 0.000 1.245 382 V HN 0.901 nan 8.190 nan 0.000 0.575 383 S N 1.287 116.979 115.700 -0.014 0.000 2.382 383 S HA -0.096 4.373 4.470 -0.001 0.000 0.228 383 S C 2.080 176.759 174.600 0.132 0.000 1.027 383 S CA 1.475 59.682 58.200 0.013 0.000 0.991 383 S CB -0.309 62.866 63.200 -0.043 0.000 0.823 383 S HN 1.152 nan 8.310 nan 0.000 0.469 384 A N 2.861 125.749 122.820 0.113 0.000 1.859 384 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 384 A C 2.274 179.948 177.584 0.149 0.000 1.198 384 A CA 1.732 53.844 52.037 0.124 0.000 0.629 384 A CB -0.916 18.155 19.000 0.118 0.000 0.830 384 A HN 0.502 nan 8.150 nan 0.000 0.446 385 I N -1.578 119.098 120.570 0.176 0.000 2.208 385 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 385 I C 2.375 178.587 176.117 0.158 0.000 1.097 385 I CA 1.502 62.900 61.300 0.163 0.000 1.363 385 I CB -1.397 36.708 38.000 0.174 0.000 1.051 385 I HN 0.444 nan 8.210 nan 0.000 0.413 386 F N 2.313 122.278 119.950 0.024 0.000 2.069 386 F HA -0.285 4.242 4.527 -0.001 0.000 0.298 386 F C 2.343 178.162 175.800 0.032 0.000 1.113 386 F CA 2.004 60.017 58.000 0.022 0.000 1.214 386 F CB -0.210 38.789 39.000 -0.002 0.000 0.978 386 F HN 0.144 nan 8.300 nan 0.000 0.474 387 D N 0.013 120.576 120.400 0.272 0.000 2.144 387 D HA -0.163 4.476 4.640 -0.001 0.000 0.200 387 D C 2.257 178.594 176.300 0.061 0.000 0.978 387 D CA 1.492 55.587 54.000 0.158 0.000 0.833 387 D CB -0.406 40.487 40.800 0.156 0.000 0.961 387 D HN 0.503 nan 8.370 nan 0.000 0.470 388 R N 0.508 121.041 120.500 0.055 0.000 2.161 388 R HA 0.135 4.474 4.340 -0.001 0.000 0.213 388 R C 2.365 178.668 176.300 0.004 0.000 1.055 388 R CA 0.320 56.438 56.100 0.030 0.000 0.996 388 R CB -0.472 29.850 30.300 0.036 0.000 0.901 388 R HN 0.150 nan 8.270 nan 0.000 0.456 389 I N 1.579 122.140 120.570 -0.015 0.000 2.286 389 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 389 I C 2.206 178.290 176.117 -0.056 0.000 1.115 389 I CA 1.425 62.702 61.300 -0.038 0.000 1.392 389 I CB -0.177 37.784 38.000 -0.066 0.000 1.065 389 I HN 0.160 nan 8.210 nan 0.000 0.418 390 L N -0.889 120.279 121.223 -0.092 0.000 2.162 390 L HA -0.092 4.248 4.340 -0.001 0.000 0.205 390 L C 2.608 179.461 176.870 -0.028 0.000 1.086 390 L CA 0.815 55.605 54.840 -0.082 0.000 0.778 390 L CB -0.372 41.606 42.059 -0.134 0.000 0.928 390 L HN 0.149 nan 8.230 nan 0.000 0.446 391 S N -0.344 115.351 115.700 -0.009 0.000 2.406 391 S HA -0.091 4.378 4.470 -0.001 0.000 0.224 391 S C 1.749 176.354 174.600 0.008 0.000 1.030 391 S CA 0.893 59.097 58.200 0.008 0.000 0.958 391 S CB 0.129 63.341 63.200 0.021 0.000 0.811 391 S HN 0.376 nan 8.310 nan 0.000 0.489 392 E N -0.040 120.164 120.200 0.007 0.000 2.250 392 E HA 0.144 4.494 4.350 -0.001 0.000 0.192 392 E C 1.552 178.157 176.600 0.008 0.000 0.986 392 E CA 0.507 56.911 56.400 0.007 0.000 0.849 392 E CB 0.209 29.914 29.700 0.008 0.000 0.797 392 E HN 0.443 nan 8.360 nan 0.000 0.482 393 L N -0.827 120.400 121.223 0.007 0.000 2.670 393 L HA 0.094 4.434 4.340 -0.001 0.000 0.177 393 L C 2.311 179.197 176.870 0.027 0.000 1.181 393 L CA 0.132 54.982 54.840 0.017 0.000 0.856 393 L CB -0.416 41.653 42.059 0.017 0.000 1.205 393 L HN -0.070 nan 8.230 nan 0.000 0.506 394 S N 0.435 116.144 115.700 0.016 0.000 2.369 394 S HA -0.204 4.265 4.470 -0.001 0.000 0.225 394 S C 1.982 176.585 174.600 0.006 0.000 1.043 394 S CA 1.717 59.924 58.200 0.011 0.000 1.074 394 S CB -0.444 62.745 63.200 -0.019 0.000 0.962 394 S HN 0.151 nan 8.310 nan 0.000 0.433 395 V N 2.104 122.018 119.914 0.001 0.000 2.255 395 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 395 V C 2.306 178.406 176.094 0.011 0.000 1.051 395 V CA 1.830 64.131 62.300 0.003 0.000 1.018 395 V CB -0.613 31.213 31.823 0.005 0.000 0.641 395 V HN 0.447 nan 8.190 nan 0.000 0.445 396 K N -0.791 119.618 120.400 0.015 0.000 2.147 396 K HA -0.122 4.198 4.320 -0.001 0.000 0.205 396 K C 2.145 178.762 176.600 0.029 0.000 1.049 396 K CA 1.482 57.779 56.287 0.017 0.000 0.936 396 K CB -0.243 32.264 32.500 0.012 0.000 0.722 396 K HN 0.427 nan 8.250 nan 0.000 0.446 397 M N 0.696 120.325 119.600 0.048 0.000 2.099 397 M HA -0.162 4.317 4.480 -0.001 0.000 0.262 397 M C 2.374 178.725 176.300 0.085 0.000 1.067 397 M CA 1.505 56.858 55.300 0.088 0.000 1.124 397 M CB -0.222 32.470 32.600 0.153 0.000 1.353 397 M HN 0.034 nan 8.290 nan 0.000 0.410 398 K N 0.760 121.187 120.400 0.046 0.000 2.009 398 K HA -0.225 4.094 4.320 -0.001 0.000 0.210 398 K C 2.143 178.757 176.600 0.024 0.000 1.049 398 K CA 1.648 57.946 56.287 0.018 0.000 0.929 398 K CB -0.221 32.268 32.500 -0.020 0.000 0.714 398 K HN 0.160 nan 8.250 nan 0.000 0.440 399 R N 0.602 121.112 120.500 0.018 0.000 2.139 399 R HA -0.123 4.216 4.340 -0.001 0.000 0.243 399 R C 1.961 178.270 176.300 0.014 0.000 1.145 399 R CA 1.414 57.522 56.100 0.014 0.000 0.976 399 R CB -0.138 30.167 30.300 0.010 0.000 0.866 399 R HN 0.293 nan 8.270 nan 0.000 0.449 400 L N 0.438 121.674 121.223 0.021 0.000 2.567 400 L HA 0.070 4.410 4.340 -0.001 0.000 0.225 400 L C -0.022 176.859 176.870 0.018 0.000 1.119 400 L CA 0.058 54.902 54.840 0.006 0.000 0.871 400 L CB 0.031 42.092 42.059 0.005 0.000 1.036 400 L HN 0.292 nan 8.230 nan 0.000 0.459 401 N N 0.614 119.351 118.700 0.062 0.000 2.780 401 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 401 N C -0.163 175.449 175.510 0.170 0.000 1.102 401 N CA 0.385 53.500 53.050 0.109 0.000 0.697 401 N CB -1.458 37.095 38.487 0.110 0.000 1.028 401 N HN 0.111 nan 8.380 nan 0.000 0.554 402 L N 1.880 123.219 121.223 0.192 0.000 2.540 402 L HA 0.054 4.393 4.340 -0.001 0.000 0.276 402 L C 0.796 177.878 176.870 0.354 0.000 1.212 402 L CA 0.324 55.300 54.840 0.227 0.000 0.893 402 L CB 0.438 42.635 42.059 0.231 0.000 1.138 402 L HN 0.235 nan 8.230 nan 0.000 0.491 403 D N 2.328 122.849 120.400 0.202 0.000 2.442 403 D HA 0.280 4.920 4.640 -0.001 0.000 0.254 403 D C 0.771 176.941 176.300 -0.217 0.000 1.069 403 D CA -0.724 53.394 54.000 0.196 0.000 1.017 403 D CB 0.682 41.612 40.800 0.216 0.000 1.172 403 D HN 0.363 nan 8.370 nan 0.000 0.561 404 R N -0.257 120.119 120.500 -0.206 0.000 2.152 404 R HA -0.002 4.337 4.340 -0.001 0.000 0.232 404 R C 1.825 177.910 176.300 -0.359 0.000 1.117 404 R CA 1.517 57.339 56.100 -0.465 0.000 0.981 404 R CB -0.130 30.084 30.300 -0.143 0.000 0.870 404 R HN 0.482 nan 8.270 nan 0.000 0.451 405 R N -0.313 120.030 120.500 -0.263 0.000 2.119 405 R HA -0.020 4.320 4.340 -0.001 0.000 0.222 405 R C 1.937 178.050 176.300 -0.311 0.000 1.088 405 R CA 1.506 57.421 56.100 -0.308 0.000 0.984 405 R CB -0.058 29.962 30.300 -0.466 0.000 0.884 405 R HN 0.390 nan 8.270 nan 0.000 0.447 406 E N 0.622 120.655 120.200 -0.278 0.000 2.152 406 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 406 E C 1.837 178.329 176.600 -0.180 0.000 0.983 406 E CA 0.599 56.905 56.400 -0.156 0.000 0.818 406 E CB 0.010 29.686 29.700 -0.040 0.000 0.758 406 E HN 0.075 nan 8.360 nan 0.000 0.467 407 L N 0.802 121.836 121.223 -0.315 0.000 2.056 407 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 407 L C 2.132 178.844 176.870 -0.264 0.000 1.078 407 L CA 1.655 56.278 54.840 -0.363 0.000 0.749 407 L CB -0.351 41.274 42.059 -0.722 0.000 0.901 407 L HN -0.089 nan 8.230 nan 0.000 0.433 408 S N -1.374 114.174 115.700 -0.254 0.000 2.383 408 S HA -0.217 4.252 4.470 -0.001 0.000 0.229 408 S C 2.059 176.619 174.600 -0.065 0.000 1.030 408 S CA 1.442 59.551 58.200 -0.152 0.000 1.002 408 S CB -0.765 62.362 63.200 -0.121 0.000 0.829 408 S HN 0.635 nan 8.310 nan 0.000 0.467 409 C N 1.299 120.565 119.300 -0.056 0.000 2.453 409 C HA 0.043 4.502 4.460 -0.001 0.000 0.277 409 C C 2.506 177.505 174.990 0.015 0.000 1.262 409 C CA 0.384 59.413 59.018 0.018 0.000 1.718 409 C CB -1.503 26.261 27.740 0.040 0.000 2.031 409 C HN 0.537 nan 8.230 nan 0.000 0.480 410 L N 0.614 121.820 121.223 -0.029 0.000 2.042 410 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 410 L C 2.645 179.497 176.870 -0.029 0.000 1.076 410 L CA 1.605 56.429 54.840 -0.027 0.000 0.749 410 L CB -0.652 41.375 42.059 -0.055 0.000 0.893 410 L HN 0.429 nan 8.230 nan 0.000 0.432 411 K N -0.090 120.278 120.400 -0.054 0.000 2.148 411 K HA -0.103 4.216 4.320 -0.001 0.000 0.204 411 K C 2.213 178.798 176.600 -0.026 0.000 1.050 411 K CA 1.235 57.490 56.287 -0.053 0.000 0.942 411 K CB -0.168 32.269 32.500 -0.105 0.000 0.724 411 K HN 0.283 nan 8.250 nan 0.000 0.446 412 A N 1.734 124.550 122.820 -0.006 0.000 1.897 412 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 412 A C 2.103 179.662 177.584 -0.041 0.000 1.181 412 A CA 0.980 52.976 52.037 -0.068 0.000 0.620 412 A CB -0.530 18.517 19.000 0.078 0.000 0.821 412 A HN 0.141 nan 8.150 nan 0.000 0.443 413 I N -0.175 120.415 120.570 0.034 0.000 2.248 413 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 413 I C 2.281 178.408 176.117 0.018 0.000 1.107 413 I CA 1.449 62.761 61.300 0.019 0.000 1.373 413 I CB -0.423 37.583 38.000 0.010 0.000 1.055 413 I HN 0.336 nan 8.210 nan 0.000 0.418 414 I N -0.023 120.543 120.570 -0.006 0.000 2.163 414 I HA -0.289 3.881 4.170 -0.001 0.000 0.240 414 I C 2.540 178.644 176.117 -0.021 0.000 1.081 414 I CA 1.070 62.366 61.300 -0.007 0.000 1.353 414 I CB -0.297 37.692 38.000 -0.017 0.000 1.054 414 I HN 0.204 nan 8.210 nan 0.000 0.407 415 L N 0.596 121.764 121.223 -0.092 0.000 1.989 415 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 415 L C 0.911 177.728 176.870 -0.088 0.000 1.071 415 L CA 1.850 56.592 54.840 -0.163 0.000 0.749 415 L CB -0.795 41.027 42.059 -0.395 0.000 0.890 415 L HN 0.136 nan 8.230 nan 0.000 0.431 416 Y N 1.074 121.396 120.300 0.037 0.000 2.734 416 Y HA 0.146 4.696 4.550 -0.001 0.000 0.353 416 Y C 0.468 176.372 175.900 0.007 0.000 1.244 416 Y CA -0.377 57.742 58.100 0.032 0.000 1.950 416 Y CB -1.511 36.958 38.460 0.015 0.000 2.028 416 Y HN 0.314 nan 8.280 nan 0.000 0.421 417 N N 3.470 122.257 118.700 0.145 0.000 2.501 417 N HA 0.175 4.914 4.740 -0.001 0.000 0.245 417 N C -1.992 173.565 175.510 0.078 0.000 0.974 417 N CA -1.891 51.213 53.050 0.091 0.000 0.941 417 N CB 1.362 39.889 38.487 0.067 0.000 1.122 417 N HN 0.087 nan 8.380 nan 0.000 0.507 418 P HA 0.071 nan 4.420 nan 0.000 0.245 418 P C -0.415 176.906 177.300 0.035 0.000 1.206 418 P CA 0.523 63.648 63.100 0.042 0.000 0.781 418 P CB 0.450 32.168 31.700 0.030 0.000 0.994 419 D N 0.258 120.682 120.400 0.040 0.000 2.336 419 D HA 0.154 4.794 4.640 -0.001 0.000 0.228 419 D C 0.836 177.156 176.300 0.033 0.000 1.120 419 D CA 0.050 54.070 54.000 0.034 0.000 0.839 419 D CB 0.246 41.068 40.800 0.036 0.000 0.932 419 D HN 0.311 nan 8.370 nan 0.000 0.509 420 I N 0.984 121.576 120.570 0.036 0.000 2.428 420 I HA 0.104 4.273 4.170 -0.001 0.000 0.289 420 I C 1.105 177.241 176.117 0.030 0.000 1.019 420 I CA -0.737 60.585 61.300 0.037 0.000 1.351 420 I CB 1.070 39.097 38.000 0.045 0.000 1.412 420 I HN -0.306 nan 8.210 nan 0.000 0.513 421 R N 4.185 124.703 120.500 0.030 0.000 2.585 421 R HA 0.162 4.501 4.340 -0.001 0.000 0.275 421 R C 1.063 177.377 176.300 0.024 0.000 1.018 421 R CA 1.237 57.352 56.100 0.025 0.000 1.072 421 R CB 0.203 30.518 30.300 0.026 0.000 0.953 421 R HN 0.988 nan 8.270 nan 0.000 0.419 422 G N 3.775 112.585 108.800 0.017 0.000 2.241 422 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 422 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 422 G C 0.361 175.266 174.900 0.008 0.000 0.998 422 G CA 0.077 45.185 45.100 0.014 0.000 0.621 422 G HN 0.584 nan 8.290 nan 0.000 0.519 423 I N 0.615 121.191 120.570 0.009 0.000 2.692 423 I HA 0.177 4.347 4.170 -0.001 0.000 0.284 423 I C 1.576 177.690 176.117 -0.005 0.000 1.159 423 I CA 0.134 61.435 61.300 0.002 0.000 1.423 423 I CB 1.221 39.226 38.000 0.008 0.000 1.380 423 I HN 0.017 nan 8.210 nan 0.000 0.580 424 K N 2.571 122.962 120.400 -0.015 0.000 2.121 424 K HA 0.102 4.421 4.320 -0.001 0.000 0.203 424 K C 0.837 177.425 176.600 -0.020 0.000 1.041 424 K CA 0.869 57.145 56.287 -0.018 0.000 0.969 424 K CB 0.188 32.674 32.500 -0.024 0.000 0.799 424 K HN 0.488 nan 8.250 nan 0.000 0.456 425 S N 1.710 117.393 115.700 -0.027 0.000 3.513 425 S HA 0.196 4.666 4.470 -0.001 0.000 0.209 425 S C 0.708 175.293 174.600 -0.025 0.000 1.446 425 S CA -0.233 57.949 58.200 -0.030 0.000 1.150 425 S CB 0.029 63.204 63.200 -0.042 0.000 1.266 425 S HN 0.163 nan 8.310 nan 0.000 0.502 426 R N 1.671 122.161 120.500 -0.016 0.000 2.083 426 R HA -0.153 4.187 4.340 -0.001 0.000 0.237 426 R C 2.515 178.803 176.300 -0.021 0.000 1.137 426 R CA 1.570 57.664 56.100 -0.009 0.000 0.951 426 R CB -0.523 29.776 30.300 -0.002 0.000 0.851 426 R HN 0.562 nan 8.270 nan 0.000 0.434 427 A N 1.315 124.118 122.820 -0.028 0.000 1.865 427 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 427 A C 2.099 179.642 177.584 -0.067 0.000 1.191 427 A CA 1.904 53.917 52.037 -0.040 0.000 0.623 427 A CB -0.549 18.429 19.000 -0.037 0.000 0.826 427 A HN 0.375 nan 8.150 nan 0.000 0.444 428 E N 0.303 120.458 120.200 -0.075 0.000 2.058 428 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 428 E C 1.718 178.232 176.600 -0.144 0.000 0.997 428 E CA 1.745 58.074 56.400 -0.119 0.000 0.801 428 E CB -0.454 29.188 29.700 -0.096 0.000 0.746 428 E HN 0.633 nan 8.360 nan 0.000 0.450 429 I N 0.420 120.940 120.570 -0.084 0.000 2.208 429 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 429 I C 2.468 178.531 176.117 -0.091 0.000 1.097 429 I CA 1.638 62.905 61.300 -0.055 0.000 1.363 429 I CB -0.394 37.625 38.000 0.032 0.000 1.051 429 I HN 0.229 nan 8.210 nan 0.000 0.413 430 E N 0.918 121.078 120.200 -0.068 0.000 2.150 430 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 430 E C 2.019 178.547 176.600 -0.119 0.000 0.985 430 E CA 1.403 57.765 56.400 -0.063 0.000 0.814 430 E CB -0.138 29.546 29.700 -0.025 0.000 0.752 430 E HN 0.198 nan 8.360 nan 0.000 0.466 431 M N -0.328 119.182 119.600 -0.151 0.000 2.086 431 M HA -0.114 4.366 4.480 -0.001 0.000 0.261 431 M C 2.153 178.286 176.300 -0.279 0.000 1.067 431 M CA 1.346 56.534 55.300 -0.188 0.000 1.116 431 M CB -0.680 31.804 32.600 -0.194 0.000 1.348 431 M HN 0.304 nan 8.290 nan 0.000 0.407 432 C N -0.547 118.536 119.300 -0.362 0.000 2.398 432 C HA -0.188 4.271 4.460 -0.001 0.000 0.276 432 C C 2.810 177.541 174.990 -0.432 0.000 1.222 432 C CA 1.519 60.234 59.018 -0.505 0.000 1.746 432 C CB -1.207 25.870 27.740 -1.106 0.000 2.039 432 C HN 0.620 nan 8.230 nan 0.000 0.470 433 R N 1.162 121.467 120.500 -0.325 0.000 2.091 433 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 433 R C 2.001 178.019 176.300 -0.470 0.000 1.136 433 R CA 1.854 57.798 56.100 -0.259 0.000 0.959 433 R CB -0.361 29.806 30.300 -0.223 0.000 0.856 433 R HN 0.616 nan 8.270 nan 0.000 0.437 434 E N 0.164 120.180 120.200 -0.305 0.000 2.150 434 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 434 E C 1.883 178.409 176.600 -0.123 0.000 0.985 434 E CA 1.151 57.483 56.400 -0.113 0.000 0.814 434 E CB 0.121 29.823 29.700 0.003 0.000 0.752 434 E HN 0.399 nan 8.360 nan 0.000 0.466 435 K N 0.350 120.566 120.400 -0.307 0.000 2.155 435 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 435 K C 2.061 178.461 176.600 -0.333 0.000 1.052 435 K CA 0.735 56.746 56.287 -0.460 0.000 0.948 435 K CB 0.151 32.046 32.500 -1.009 0.000 0.728 435 K HN -0.012 nan 8.250 nan 0.000 0.448 436 V N 0.599 120.394 119.914 -0.198 0.000 2.453 436 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 436 V C 1.848 178.028 176.094 0.142 0.000 1.048 436 V CA 1.408 63.728 62.300 0.033 0.000 1.049 436 V CB -0.559 31.338 31.823 0.124 0.000 0.672 436 V HN 0.188 nan 8.190 nan 0.000 0.457 437 Y N 1.038 121.400 120.300 0.104 0.000 2.128 437 Y HA -0.210 4.339 4.550 -0.001 0.000 0.284 437 Y C 2.613 178.597 175.900 0.140 0.000 1.154 437 Y CA 1.024 59.255 58.100 0.218 0.000 1.149 437 Y CB -1.364 37.215 38.460 0.198 0.000 0.976 437 Y HN 0.209 nan 8.280 nan 0.000 0.505 438 A N -1.047 121.884 122.820 0.185 0.000 1.940 438 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 438 A C 2.477 180.099 177.584 0.064 0.000 1.176 438 A CA 1.807 53.873 52.037 0.048 0.000 0.631 438 A CB -1.406 17.580 19.000 -0.023 0.000 0.814 438 A HN 0.560 nan 8.150 nan 0.000 0.446 439 C N -1.523 117.827 119.300 0.084 0.000 2.453 439 C HA -0.036 4.423 4.460 -0.001 0.000 0.277 439 C C 2.521 177.617 174.990 0.176 0.000 1.262 439 C CA 1.066 60.151 59.018 0.111 0.000 1.718 439 C CB -1.360 26.450 27.740 0.117 0.000 2.031 439 C HN 0.675 nan 8.230 nan 0.000 0.480 440 L N 1.602 122.970 121.223 0.242 0.000 2.017 440 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 440 L C 2.057 179.145 176.870 0.363 0.000 1.073 440 L CA 2.447 57.477 54.840 0.317 0.000 0.745 440 L CB -1.009 41.290 42.059 0.401 0.000 0.894 440 L HN 0.332 nan 8.230 nan 0.000 0.432 441 D N -0.911 119.653 120.400 0.273 0.000 2.104 441 D HA -0.280 4.360 4.640 -0.001 0.000 0.194 441 D C 2.154 178.485 176.300 0.051 0.000 0.994 441 D CA 1.493 55.498 54.000 0.008 0.000 0.830 441 D CB -0.092 40.468 40.800 -0.401 0.000 0.959 441 D HN 0.554 nan 8.370 nan 0.000 0.452 442 E N -1.324 118.914 120.200 0.063 0.000 2.118 442 E HA -0.310 4.040 4.350 -0.001 0.000 0.195 442 E C 1.921 178.578 176.600 0.095 0.000 0.992 442 E CA 1.103 57.537 56.400 0.057 0.000 0.804 442 E CB -0.155 29.579 29.700 0.058 0.000 0.741 442 E HN 0.465 nan 8.360 nan 0.000 0.458 443 H N -0.340 118.776 119.070 0.077 0.000 2.321 443 H HA -0.108 4.448 4.556 -0.001 0.000 0.300 443 H C 2.076 177.471 175.328 0.112 0.000 1.087 443 H CA 2.158 58.258 56.048 0.087 0.000 1.319 443 H CB -0.449 29.376 29.762 0.106 0.000 1.379 443 H HN 0.253 nan 8.280 nan 0.000 0.501 444 C N 0.603 120.027 119.300 0.206 0.000 2.410 444 C HA -0.078 4.382 4.460 -0.001 0.000 0.281 444 C C 2.696 177.746 174.990 0.101 0.000 1.318 444 C CA 1.011 60.149 59.018 0.201 0.000 1.776 444 C CB -0.779 27.107 27.740 0.243 0.000 1.942 444 C HN 0.578 nan 8.230 nan 0.000 0.508 445 R N 0.093 120.615 120.500 0.036 0.000 2.090 445 R HA 0.119 4.459 4.340 -0.001 0.000 0.219 445 R C 1.982 178.260 176.300 -0.036 0.000 1.100 445 R CA 0.875 56.977 56.100 0.004 0.000 0.991 445 R CB -0.321 29.973 30.300 -0.011 0.000 0.893 445 R HN 0.485 nan 8.270 nan 0.000 0.443 446 L N 0.283 121.462 121.223 -0.072 0.000 2.395 446 L HA -0.036 4.304 4.340 -0.001 0.000 0.218 446 L C 1.812 178.579 176.870 -0.172 0.000 1.130 446 L CA 0.813 55.594 54.840 -0.099 0.000 0.826 446 L CB 0.036 42.046 42.059 -0.082 0.000 0.941 446 L HN 0.060 nan 8.230 nan 0.000 0.451 447 E N -1.529 118.507 120.200 -0.273 0.000 2.372 447 E HA 0.058 4.407 4.350 -0.001 0.000 0.201 447 E C 0.486 176.776 176.600 -0.518 0.000 0.938 447 E CA 0.534 56.676 56.400 -0.431 0.000 0.944 447 E CB 0.565 29.854 29.700 -0.686 0.000 0.937 447 E HN 0.273 nan 8.360 nan 0.000 0.495 448 H N -0.156 118.870 119.070 -0.073 0.000 2.471 448 H HA 0.314 4.870 4.556 -0.001 0.000 0.234 448 H C -2.353 172.966 175.328 -0.014 0.000 1.388 448 H CA -2.069 53.965 56.048 -0.023 0.000 1.198 448 H CB 0.423 30.189 29.762 0.006 0.000 1.714 448 H HN 0.022 nan 8.280 nan 0.000 0.536 449 P HA 0.116 nan 4.420 nan 0.000 0.262 449 P C 1.073 178.400 177.300 0.046 0.000 1.199 449 P CA 1.036 64.153 63.100 0.027 0.000 0.763 449 P CB 1.126 32.825 31.700 -0.002 0.000 0.790 450 G N 3.400 112.227 108.800 0.044 0.000 1.801 450 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.203 450 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.203 450 G C -0.457 174.468 174.900 0.041 0.000 2.274 450 G CA -0.371 44.754 45.100 0.041 0.000 1.481 450 G HN 0.558 nan 8.290 nan 0.000 0.471 451 D N 2.736 123.166 120.400 0.050 0.000 2.359 451 D HA 0.371 5.010 4.640 -0.001 0.000 0.273 451 D C 1.358 177.683 176.300 0.041 0.000 1.362 451 D CA 0.603 54.622 54.000 0.033 0.000 1.010 451 D CB 0.388 41.195 40.800 0.011 0.000 1.090 451 D HN 0.467 nan 8.370 nan 0.000 0.521 452 D N 0.935 121.355 120.400 0.034 0.000 2.363 452 D HA 0.003 4.643 4.640 -0.001 0.000 0.220 452 D C 1.718 178.049 176.300 0.052 0.000 0.994 452 D CA 0.168 54.190 54.000 0.036 0.000 0.890 452 D CB 0.139 40.950 40.800 0.018 0.000 0.906 452 D HN 0.376 nan 8.370 nan 0.000 0.530 453 G N 0.004 108.831 108.800 0.045 0.000 3.042 453 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.212 453 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.212 453 G C 1.397 176.331 174.900 0.056 0.000 1.166 453 G CA -0.371 44.758 45.100 0.049 0.000 0.767 453 G HN 0.144 nan 8.290 nan 0.000 0.546 454 R N -0.242 120.293 120.500 0.058 0.000 2.080 454 R HA -0.124 4.215 4.340 -0.001 0.000 0.236 454 R C 2.090 178.440 176.300 0.084 0.000 1.137 454 R CA 1.503 57.626 56.100 0.038 0.000 0.943 454 R CB -0.486 29.817 30.300 0.004 0.000 0.846 454 R HN 0.301 nan 8.270 nan 0.000 0.431 455 F N 1.155 121.104 119.950 -0.002 0.000 2.063 455 F HA -0.320 4.207 4.527 -0.001 0.000 0.298 455 F C 2.147 177.939 175.800 -0.013 0.000 1.109 455 F CA 2.100 60.102 58.000 0.003 0.000 1.212 455 F CB -0.648 38.350 39.000 -0.003 0.000 0.973 455 F HN 0.176 nan 8.300 nan 0.000 0.480 456 A N -0.107 122.745 122.820 0.054 0.000 1.877 456 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 456 A C 2.256 179.776 177.584 -0.108 0.000 1.186 456 A CA 2.713 54.709 52.037 -0.068 0.000 0.620 456 A CB -1.696 17.327 19.000 0.038 0.000 0.822 456 A HN 0.580 nan 8.150 nan 0.000 0.443 457 Q N -0.097 119.672 119.800 -0.052 0.000 2.112 457 Q HA -0.110 4.229 4.340 -0.001 0.000 0.206 457 Q C 2.145 178.100 176.000 -0.074 0.000 0.987 457 Q CA 1.835 57.609 55.803 -0.049 0.000 0.858 457 Q CB -1.140 27.581 28.738 -0.028 0.000 0.905 457 Q HN 0.728 nan 8.270 nan 0.000 0.420 458 L N -0.309 120.854 121.223 -0.100 0.000 2.083 458 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 458 L C 2.708 179.499 176.870 -0.131 0.000 1.083 458 L CA 1.178 55.957 54.840 -0.102 0.000 0.752 458 L CB -0.390 41.607 42.059 -0.104 0.000 0.899 458 L HN 0.394 nan 8.230 nan 0.000 0.433 459 L N -0.606 120.489 121.223 -0.214 0.000 2.275 459 L HA -0.187 4.153 4.340 -0.001 0.000 0.215 459 L C 2.417 179.228 176.870 -0.099 0.000 1.119 459 L CA 0.691 55.420 54.840 -0.186 0.000 0.790 459 L CB -0.345 41.537 42.059 -0.295 0.000 0.919 459 L HN 0.307 nan 8.230 nan 0.000 0.443 460 L N -0.517 120.656 121.223 -0.084 0.000 2.265 460 L HA -0.168 4.171 4.340 -0.001 0.000 0.215 460 L C 2.660 179.511 176.870 -0.033 0.000 1.117 460 L CA 0.648 55.459 54.840 -0.048 0.000 0.782 460 L CB -0.446 41.591 42.059 -0.038 0.000 0.914 460 L HN 0.287 nan 8.230 nan 0.000 0.441 461 R N 0.008 120.487 120.500 -0.035 0.000 2.148 461 R HA -0.042 4.298 4.340 -0.001 0.000 0.227 461 R C 2.132 178.422 176.300 -0.018 0.000 1.103 461 R CA 0.836 56.924 56.100 -0.020 0.000 0.983 461 R CB -0.622 29.668 30.300 -0.016 0.000 0.874 461 R HN 0.408 nan 8.270 nan 0.000 0.451 462 L N 0.654 121.864 121.223 -0.022 0.000 2.012 462 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 462 L C -0.533 176.332 176.870 -0.009 0.000 1.073 462 L CA 1.666 56.498 54.840 -0.013 0.000 0.748 462 L CB -1.626 40.430 42.059 -0.005 0.000 0.891 462 L HN 0.105 nan 8.230 nan 0.000 0.431 463 P HA -0.152 nan 4.420 nan 0.000 0.216 463 P C 1.475 178.771 177.300 -0.006 0.000 1.153 463 P CA 1.696 64.793 63.100 -0.005 0.000 0.848 463 P CB 0.003 31.700 31.700 -0.005 0.000 0.787 464 A N -0.691 122.125 122.820 -0.007 0.000 1.933 464 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 464 A C 2.233 179.813 177.584 -0.007 0.000 1.175 464 A CA 1.235 53.269 52.037 -0.005 0.000 0.628 464 A CB -1.633 17.365 19.000 -0.003 0.000 0.814 464 A HN 0.127 nan 8.150 nan 0.000 0.444 465 L N -1.013 120.204 121.223 -0.010 0.000 2.017 465 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 465 L C 2.841 179.698 176.870 -0.022 0.000 1.073 465 L CA 1.832 56.663 54.840 -0.015 0.000 0.745 465 L CB -0.327 41.721 42.059 -0.017 0.000 0.894 465 L HN 0.507 nan 8.230 nan 0.000 0.432 466 R N -0.937 119.552 120.500 -0.019 0.000 2.073 466 R HA -0.199 4.140 4.340 -0.001 0.000 0.234 466 R C 2.504 178.790 176.300 -0.023 0.000 1.134 466 R CA 1.818 57.904 56.100 -0.023 0.000 0.952 466 R CB -0.289 30.003 30.300 -0.013 0.000 0.850 466 R HN 0.247 nan 8.270 nan 0.000 0.433 467 S N 0.344 116.035 115.700 -0.015 0.000 2.353 467 S HA -0.125 4.344 4.470 -0.001 0.000 0.222 467 S C 1.967 176.560 174.600 -0.012 0.000 1.035 467 S CA 1.513 59.706 58.200 -0.012 0.000 1.025 467 S CB -0.222 62.974 63.200 -0.006 0.000 0.902 467 S HN 0.375 nan 8.310 nan 0.000 0.440 468 I N 0.950 121.516 120.570 -0.008 0.000 2.226 468 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 468 I C 2.745 178.857 176.117 -0.009 0.000 1.100 468 I CA 1.379 62.681 61.300 0.002 0.000 1.374 468 I CB -0.562 37.441 38.000 0.006 0.000 1.057 468 I HN 0.375 nan 8.210 nan 0.000 0.413 469 S N 1.098 116.777 115.700 -0.036 0.000 2.383 469 S HA -0.149 4.321 4.470 -0.001 0.000 0.229 469 S C 2.057 176.609 174.600 -0.079 0.000 1.030 469 S CA 1.304 59.458 58.200 -0.077 0.000 1.002 469 S CB -0.289 62.850 63.200 -0.102 0.000 0.829 469 S HN 0.352 nan 8.310 nan 0.000 0.467 470 L N 0.706 121.897 121.223 -0.053 0.000 2.093 470 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 470 L C 2.704 179.548 176.870 -0.043 0.000 1.085 470 L CA 1.456 56.269 54.840 -0.046 0.000 0.755 470 L CB -0.391 41.648 42.059 -0.032 0.000 0.904 470 L HN 0.321 nan 8.230 nan 0.000 0.435 471 K N -0.452 119.928 120.400 -0.033 0.000 2.097 471 K HA -0.154 4.166 4.320 -0.001 0.000 0.205 471 K C 2.259 178.858 176.600 -0.001 0.000 1.050 471 K CA 1.296 57.553 56.287 -0.050 0.000 0.938 471 K CB -0.102 32.388 32.500 -0.017 0.000 0.718 471 K HN 0.303 nan 8.250 nan 0.000 0.442 472 C N 0.821 120.157 119.300 0.061 0.000 2.413 472 C HA -0.120 4.340 4.460 -0.001 0.000 0.276 472 C C 2.741 177.788 174.990 0.095 0.000 1.248 472 C CA 0.956 60.049 59.018 0.126 0.000 1.742 472 C CB -0.746 27.017 27.740 0.038 0.000 2.017 472 C HN 0.626 nan 8.230 nan 0.000 0.481 473 Q N 0.475 120.280 119.800 0.010 0.000 2.084 473 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 473 Q C 1.714 177.738 176.000 0.040 0.000 0.978 473 Q CA 1.645 57.471 55.803 0.038 0.000 0.844 473 Q CB -0.178 28.565 28.738 0.008 0.000 0.898 473 Q HN 0.586 nan 8.270 nan 0.000 0.426 474 D N -0.406 119.974 120.400 -0.033 0.000 2.123 474 D HA -0.195 4.445 4.640 -0.001 0.000 0.196 474 D C 1.850 178.066 176.300 -0.140 0.000 0.992 474 D CA 1.101 55.037 54.000 -0.107 0.000 0.833 474 D CB -0.259 40.423 40.800 -0.195 0.000 0.954 474 D HN 0.391 nan 8.370 nan 0.000 0.455 475 H N 0.364 119.385 119.070 -0.082 0.000 2.352 475 H HA -0.047 4.509 4.556 -0.001 0.000 0.299 475 H C 2.498 177.767 175.328 -0.099 0.000 1.097 475 H CA 0.586 56.538 56.048 -0.160 0.000 1.311 475 H CB -0.415 29.356 29.762 0.015 0.000 1.377 475 H HN 0.186 nan 8.280 nan 0.000 0.504 476 L N -0.517 120.818 121.223 0.186 0.000 1.990 476 L HA -0.228 4.112 4.340 -0.001 0.000 0.213 476 L C 3.285 180.226 176.870 0.119 0.000 1.072 476 L CA 2.061 57.020 54.840 0.197 0.000 0.755 476 L CB -1.077 41.120 42.059 0.230 0.000 0.889 476 L HN 0.280 nan 8.230 nan 0.000 0.432 477 F N -0.389 119.600 119.950 0.065 0.000 2.234 477 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 477 F C 2.263 178.057 175.800 -0.011 0.000 1.087 477 F CA 1.696 59.718 58.000 0.037 0.000 1.340 477 F CB -0.756 38.265 39.000 0.035 0.000 1.031 477 F HN 0.073 nan 8.300 nan 0.000 0.500 478 L N -1.371 119.782 121.223 -0.117 0.000 2.093 478 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 478 L C 2.181 178.961 176.870 -0.151 0.000 1.085 478 L CA 1.558 56.269 54.840 -0.216 0.000 0.755 478 L CB -0.487 41.313 42.059 -0.432 0.000 0.904 478 L HN 0.328 nan 8.230 nan 0.000 0.435 479 F N 0.697 120.688 119.950 0.069 0.000 2.797 479 F HA 0.175 4.702 4.527 -0.001 0.000 0.302 479 F C 1.666 177.492 175.800 0.043 0.000 1.130 479 F CA 0.460 58.491 58.000 0.052 0.000 1.387 479 F CB -1.142 37.887 39.000 0.047 0.000 1.107 479 F HN 0.064 nan 8.300 nan 0.000 0.577 480 R N 1.624 122.232 120.500 0.180 0.000 3.092 480 R HA -0.181 4.159 4.340 -0.001 0.000 0.245 480 R C 0.304 176.658 176.300 0.089 0.000 0.881 480 R CA 1.338 57.508 56.100 0.117 0.000 0.614 480 R CB -3.413 26.969 30.300 0.136 0.000 1.128 480 R HN 0.754 nan 8.270 nan 0.000 0.483 481 I N -2.062 118.544 120.570 0.060 0.000 3.833 481 I HA 0.331 4.501 4.170 -0.001 0.000 0.328 481 I C 0.545 176.588 176.117 -0.124 0.000 1.554 481 I CA 0.142 61.444 61.300 0.004 0.000 1.116 481 I CB 0.997 39.029 38.000 0.053 0.000 1.182 481 I HN 0.490 nan 8.210 nan 0.000 0.459 482 T N -1.728 112.702 114.554 -0.207 0.000 2.945 482 T HA 0.455 4.804 4.350 -0.001 0.000 0.286 482 T C 0.216 174.660 174.700 -0.428 0.000 1.025 482 T CA -0.483 61.298 62.100 -0.531 0.000 1.039 482 T CB 2.049 70.571 68.868 -0.578 0.000 1.068 482 T HN 0.187 nan 8.240 nan 0.000 0.497 483 S N 0.373 115.728 115.700 -0.576 0.000 2.573 483 S HA 0.047 4.516 4.470 -0.001 0.000 0.277 483 S C 0.882 175.427 174.600 -0.092 0.000 1.346 483 S CA -0.406 57.663 58.200 -0.218 0.000 1.034 483 S CB -0.178 62.990 63.200 -0.053 0.000 0.879 483 S HN 0.722 nan 8.310 nan 0.000 0.528 484 D N 1.810 122.174 120.400 -0.060 0.000 2.224 484 D HA -0.020 4.619 4.640 -0.001 0.000 0.205 484 D C 0.826 177.133 176.300 0.012 0.000 0.965 484 D CA 0.768 54.747 54.000 -0.035 0.000 0.852 484 D CB -0.067 40.699 40.800 -0.057 0.000 0.947 484 D HN 0.435 nan 8.370 nan 0.000 0.494 485 R N 1.773 122.289 120.500 0.028 0.000 2.389 485 R HA 0.138 4.478 4.340 -0.001 0.000 0.295 485 R C -2.312 174.040 176.300 0.086 0.000 1.075 485 R CA -1.203 54.921 56.100 0.039 0.000 1.005 485 R CB 0.793 31.107 30.300 0.023 0.000 0.987 485 R HN -0.067 nan 8.270 nan 0.000 0.452 486 P HA -0.077 nan 4.420 nan 0.000 0.271 486 P C 0.380 177.605 177.300 -0.125 0.000 1.220 486 P CA -0.135 62.975 63.100 0.017 0.000 0.768 486 P CB 0.892 32.593 31.700 0.003 0.000 0.848 487 L N 4.107 125.133 121.223 -0.328 0.000 2.089 487 L HA -0.251 4.088 4.340 -0.001 0.000 0.213 487 L C 2.089 178.584 176.870 -0.626 0.000 1.079 487 L CA 2.109 56.435 54.840 -0.858 0.000 0.758 487 L CB -1.187 40.034 42.059 -1.397 0.000 0.891 487 L HN 0.274 nan 8.230 nan 0.000 0.433 488 E N -0.019 120.017 120.200 -0.272 0.000 2.086 488 E HA -0.266 4.083 4.350 -0.001 0.000 0.200 488 E C 2.139 178.705 176.600 -0.058 0.000 1.012 488 E CA 1.944 58.304 56.400 -0.066 0.000 0.812 488 E CB -0.264 29.434 29.700 -0.003 0.000 0.743 488 E HN 0.619 nan 8.360 nan 0.000 0.453 489 E N -0.343 119.804 120.200 -0.089 0.000 2.077 489 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 489 E C 1.916 178.474 176.600 -0.070 0.000 0.989 489 E CA 0.894 57.261 56.400 -0.054 0.000 0.800 489 E CB -0.098 29.577 29.700 -0.043 0.000 0.746 489 E HN 0.103 nan 8.360 nan 0.000 0.452 490 L N -0.064 121.057 121.223 -0.170 0.000 2.046 490 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 490 L C 2.125 178.941 176.870 -0.090 0.000 1.077 490 L CA 1.515 56.250 54.840 -0.175 0.000 0.747 490 L CB -0.696 41.174 42.059 -0.315 0.000 0.896 490 L HN 0.100 nan 8.230 nan 0.000 0.432 491 F N -0.823 119.047 119.950 -0.134 0.000 2.113 491 F HA -0.161 4.366 4.527 -0.001 0.000 0.297 491 F C 2.433 178.190 175.800 -0.071 0.000 1.103 491 F CA 0.730 58.659 58.000 -0.118 0.000 1.248 491 F CB -1.006 37.922 39.000 -0.119 0.000 0.999 491 F HN -0.047 nan 8.300 nan 0.000 0.475 492 L N -0.056 121.254 121.223 0.146 0.000 2.042 492 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 492 L C 2.254 179.150 176.870 0.043 0.000 1.076 492 L CA 1.639 56.521 54.840 0.070 0.000 0.749 492 L CB -0.351 41.733 42.059 0.041 0.000 0.893 492 L HN 0.218 nan 8.230 nan 0.000 0.432 493 E N -0.929 119.291 120.200 0.034 0.000 2.106 493 E HA -0.291 4.058 4.350 -0.001 0.000 0.192 493 E C 2.028 178.645 176.600 0.029 0.000 0.984 493 E CA 1.029 57.445 56.400 0.025 0.000 0.806 493 E CB -0.064 29.647 29.700 0.019 0.000 0.750 493 E HN 0.562 nan 8.360 nan 0.000 0.458 494 Q N 0.762 120.580 119.800 0.030 0.000 2.123 494 Q HA -0.100 4.240 4.340 -0.001 0.000 0.199 494 Q C 2.263 178.248 176.000 -0.025 0.000 0.966 494 Q CA 0.648 56.447 55.803 -0.007 0.000 0.845 494 Q CB 0.120 28.813 28.738 -0.075 0.000 0.907 494 Q HN 0.270 nan 8.270 nan 0.000 0.439 495 L N 0.526 121.748 121.223 -0.000 0.000 2.046 495 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 495 L C 1.907 178.778 176.870 0.001 0.000 1.077 495 L CA 1.340 56.181 54.840 0.001 0.000 0.747 495 L CB -0.261 41.813 42.059 0.025 0.000 0.896 495 L HN 0.252 nan 8.230 nan 0.000 0.432 496 E N -0.002 120.202 120.200 0.007 0.000 2.516 496 E HA 0.029 4.379 4.350 -0.001 0.000 0.199 496 E C 0.522 177.127 176.600 0.007 0.000 1.069 496 E CA 0.069 56.472 56.400 0.005 0.000 0.876 496 E CB 0.094 29.798 29.700 0.007 0.000 0.843 496 E HN 0.429 nan 8.360 nan 0.000 0.530 497 A N 2.265 125.091 122.820 0.010 0.000 2.281 497 A HA 0.456 4.776 4.320 -0.001 0.000 0.329 497 A C -2.358 175.235 177.584 0.014 0.000 1.122 497 A CA -1.583 50.465 52.037 0.019 0.000 0.850 497 A CB 0.449 19.471 19.000 0.036 0.000 1.207 497 A HN -0.113 nan 8.150 nan 0.000 0.495 498 P HA 0.266 nan 4.420 nan 0.000 0.275 498 P C -2.577 174.741 177.300 0.031 0.000 1.228 498 P CA -0.902 62.211 63.100 0.021 0.000 0.786 498 P CB -0.013 31.701 31.700 0.023 0.000 0.927 499 P HA 0.094 nan 4.420 nan 0.000 0.269 499 P C -2.119 175.226 177.300 0.076 0.000 1.217 499 P CA -0.866 62.252 63.100 0.030 0.000 0.783 499 P CB -1.129 30.578 31.700 0.011 0.000 0.898 500 P HA 0.002 nan 4.420 nan 0.000 0.271 500 P C -1.774 175.574 177.300 0.081 0.000 1.233 500 P CA -0.746 62.444 63.100 0.149 0.000 0.795 500 P CB -1.063 30.770 31.700 0.222 0.000 0.936 501 P HA -0.254 nan 4.420 nan 0.000 0.221 501 P C 0.267 177.586 177.300 0.032 0.000 1.107 501 P CA 2.306 65.428 63.100 0.037 0.000 0.986 501 P CB -0.948 30.768 31.700 0.027 0.000 0.774 502 G N 0.000 108.820 108.800 0.034 0.000 5.446 502 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 502 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 502 G CA 0.000 45.116 45.100 0.026 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925