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 2ajg_1_B DATA FIRST_RESID 228 DATA SEQUENCE EGVEITFNVN DYDNTLTVYT TRPDTFMGCT YLAVAAGHPL AQKAAENNPE DATA SEQUENCE LAAFIDECRN XXXXXXXXXX XEKKGVDTGF KAVHPLTGEE IPVWAANFVL DATA SEQUENCE MEYGTGAVMA VPGHDQRDYE FASKYGLNIK PVILAADGSE PDLSQQALTE DATA SEQUENCE KGVLFNSGEF NGLDHEAAFN AIADKLTAMG VGERK 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 228 E HA 0.000 nan 4.350 nan 0.000 0.291 228 E C 0.000 176.792 176.600 0.321 0.000 1.382 228 E CA 0.000 56.501 56.400 0.169 0.000 0.976 228 E CB 0.000 29.769 29.700 0.116 0.000 0.812 229 G N 0.357 109.324 108.800 0.277 0.000 2.708 229 G HA2 0.589 4.550 3.960 0.003 0.000 0.289 229 G HA3 0.589 4.550 3.960 0.003 0.000 0.289 229 G C -1.511 173.308 174.900 -0.134 0.000 1.416 229 G CA -0.546 44.518 45.100 -0.061 0.000 0.829 229 G HN 0.116 nan 8.290 nan 0.000 0.480 230 V N 0.304 119.936 119.914 -0.469 0.000 2.531 230 V HA 0.458 4.580 4.120 0.003 0.000 0.301 230 V C -0.228 175.721 176.094 -0.242 0.000 1.034 230 V CA -0.738 61.381 62.300 -0.301 0.000 0.865 230 V CB 1.606 33.174 31.823 -0.425 0.000 0.995 230 V HN 0.849 nan 8.190 nan 0.000 0.424 231 E N 4.241 124.442 120.200 0.001 0.000 2.227 231 E HA 0.646 4.997 4.350 0.003 0.000 0.282 231 E C -1.320 175.231 176.600 -0.083 0.000 1.015 231 E CA -0.402 56.038 56.400 0.067 0.000 0.823 231 E CB 1.102 30.886 29.700 0.140 0.000 1.081 231 E HN 0.614 nan 8.360 nan 0.000 0.396 232 I N 3.010 123.528 120.570 -0.086 0.000 2.533 232 I HA 0.231 4.403 4.170 0.003 0.000 0.290 232 I C -0.583 175.498 176.117 -0.061 0.000 1.056 232 I CA -0.687 60.495 61.300 -0.197 0.000 1.057 232 I CB 2.440 40.191 38.000 -0.416 0.000 1.240 232 I HN 0.380 nan 8.210 nan 0.000 0.423 233 T N 5.516 120.001 114.554 -0.115 0.000 2.771 233 T HA 0.572 4.924 4.350 0.003 0.000 0.281 233 T C -0.664 173.997 174.700 -0.064 0.000 0.982 233 T CA -0.258 61.847 62.100 0.008 0.000 0.978 233 T CB 0.502 69.376 68.868 0.009 0.000 0.930 233 T HN 0.099 nan 8.240 nan 0.000 0.447 234 F N 2.201 122.165 119.950 0.022 0.000 2.450 234 F HA 0.411 4.941 4.527 0.004 0.000 0.332 234 F C 1.034 176.864 175.800 0.051 0.000 1.093 234 F CA -0.979 57.044 58.000 0.038 0.000 1.003 234 F CB 1.177 40.199 39.000 0.037 0.000 1.151 234 F HN 0.482 nan 8.300 nan 0.000 0.474 235 N N 0.603 119.436 118.700 0.222 0.000 2.513 235 N HA 0.543 5.284 4.740 0.003 0.000 0.274 235 N C -1.474 174.161 175.510 0.209 0.000 1.189 235 N CA -0.517 52.640 53.050 0.178 0.000 0.975 235 N CB 1.366 39.927 38.487 0.123 0.000 1.157 235 N HN 0.176 nan 8.380 nan 0.000 0.465 236 V N 1.940 121.972 119.914 0.197 0.000 2.487 236 V HA 0.239 4.361 4.120 0.003 0.000 0.298 236 V C -0.264 175.962 176.094 0.220 0.000 1.028 236 V CA -1.085 61.330 62.300 0.191 0.000 0.860 236 V CB 1.540 33.446 31.823 0.138 0.000 0.991 236 V HN 0.640 nan 8.190 nan 0.000 0.427 237 N N 3.423 122.253 118.700 0.217 0.000 2.458 237 N HA 0.100 4.841 4.740 0.003 0.000 0.258 237 N C 0.245 175.936 175.510 0.301 0.000 1.219 237 N CA 0.400 53.577 53.050 0.211 0.000 0.902 237 N CB 0.222 38.806 38.487 0.162 0.000 1.076 237 N HN 0.763 nan 8.380 nan 0.000 0.455 238 D N 0.335 120.879 120.400 0.241 0.000 2.772 238 D HA -0.285 4.357 4.640 0.003 0.000 0.233 238 D C -0.785 175.772 176.300 0.428 0.000 1.143 238 D CA 1.036 55.199 54.000 0.273 0.000 0.700 238 D CB -1.553 39.386 40.800 0.232 0.000 1.076 238 D HN 0.595 nan 8.370 nan 0.000 0.430 239 Y N -0.739 119.641 120.300 0.134 0.000 2.441 239 Y HA 0.299 4.851 4.550 0.003 0.000 0.334 239 Y C 0.308 176.202 175.900 -0.009 0.000 1.061 239 Y CA -0.879 57.225 58.100 0.005 0.000 1.032 239 Y CB 1.694 40.001 38.460 -0.256 0.000 1.266 239 Y HN -0.289 nan 8.280 nan 0.000 0.441 240 D N 2.322 122.407 120.400 -0.524 0.000 2.349 240 D HA 0.023 4.665 4.640 0.003 0.000 0.224 240 D C -0.088 175.946 176.300 -0.444 0.000 1.029 240 D CA 0.808 54.580 54.000 -0.379 0.000 0.879 240 D CB 0.294 40.925 40.800 -0.281 0.000 0.906 240 D HN 0.337 nan 8.370 nan 0.000 0.528 241 N N -1.251 117.009 118.700 -0.733 0.000 3.038 241 N HA 0.335 5.077 4.740 0.003 0.000 0.307 241 N C -0.765 174.736 175.510 -0.016 0.000 1.441 241 N CA -0.307 52.525 53.050 -0.364 0.000 0.772 241 N CB 1.650 39.904 38.487 -0.387 0.000 1.651 241 N HN -0.023 nan 8.380 nan 0.000 0.593 242 T N -1.600 113.013 114.554 0.098 0.000 2.927 242 T HA 0.730 5.081 4.350 0.003 0.000 0.286 242 T C -0.275 174.549 174.700 0.206 0.000 1.040 242 T CA -0.694 61.505 62.100 0.166 0.000 1.010 242 T CB 1.111 70.046 68.868 0.112 0.000 1.177 242 T HN 0.259 nan 8.240 nan 0.000 0.546 243 L N 0.529 121.862 121.223 0.184 0.000 2.362 243 L HA 0.654 4.996 4.340 0.003 0.000 0.271 243 L C -0.295 176.687 176.870 0.187 0.000 1.002 243 L CA -0.857 54.064 54.840 0.135 0.000 0.818 243 L CB 2.502 44.557 42.059 -0.005 0.000 1.298 243 L HN 0.773 nan 8.230 nan 0.000 0.420 244 T N 2.050 116.696 114.554 0.152 0.000 2.841 244 T HA 0.611 4.963 4.350 0.003 0.000 0.283 244 T C -0.515 174.271 174.700 0.143 0.000 1.000 244 T CA -0.481 61.713 62.100 0.157 0.000 0.977 244 T CB 2.109 71.044 68.868 0.112 0.000 0.979 244 T HN 0.438 nan 8.240 nan 0.000 0.446 245 V N 1.391 121.408 119.914 0.171 0.000 3.126 245 V HA 0.865 4.987 4.120 0.003 0.000 0.314 245 V C -1.794 174.402 176.094 0.171 0.000 1.138 245 V CA -1.107 61.282 62.300 0.148 0.000 1.034 245 V CB 2.089 33.990 31.823 0.129 0.000 1.075 245 V HN 0.835 nan 8.190 nan 0.000 0.442 246 Y N 0.716 121.025 120.300 0.016 0.000 2.406 246 Y HA 0.754 5.305 4.550 0.003 0.000 0.340 246 Y C -0.427 175.468 175.900 -0.009 0.000 0.975 246 Y CA 0.013 58.108 58.100 -0.008 0.000 1.056 246 Y CB 2.138 40.603 38.460 0.008 0.000 1.210 246 Y HN 1.109 nan 8.280 nan 0.000 0.448 247 T N 2.753 116.912 114.554 -0.658 0.000 2.912 247 T HA 0.302 4.654 4.350 0.003 0.000 0.299 247 T C 0.259 174.597 174.700 -0.605 0.000 1.052 247 T CA 0.031 61.854 62.100 -0.461 0.000 0.996 247 T CB 1.075 69.792 68.868 -0.252 0.000 1.070 247 T HN 0.766 nan 8.240 nan 0.000 0.465 248 T N 1.466 115.846 114.554 -0.291 0.000 3.122 248 T HA 0.305 4.657 4.350 0.003 0.000 0.250 248 T C 0.728 175.447 174.700 0.031 0.000 1.067 248 T CA -0.286 61.761 62.100 -0.088 0.000 0.966 248 T CB 0.040 68.946 68.868 0.063 0.000 1.002 248 T HN 0.340 nan 8.240 nan 0.000 0.542 249 R N 1.743 122.197 120.500 -0.076 0.000 2.989 249 R HA 0.280 4.621 4.340 0.003 0.000 0.340 249 R C -2.123 174.075 176.300 -0.169 0.000 1.205 249 R CA -2.183 53.903 56.100 -0.024 0.000 1.235 249 R CB 0.568 30.901 30.300 0.056 0.000 1.394 249 R HN 0.309 nan 8.270 nan 0.000 0.598 250 P HA -0.143 nan 4.420 nan 0.000 0.225 250 P C 0.644 177.743 177.300 -0.335 0.000 1.148 250 P CA 0.966 63.777 63.100 -0.481 0.000 0.779 250 P CB 0.250 31.464 31.700 -0.811 0.000 0.780 251 D N 0.375 120.592 120.400 -0.306 0.000 2.218 251 D HA -0.136 4.506 4.640 0.003 0.000 0.204 251 D C 1.218 177.485 176.300 -0.055 0.000 0.976 251 D CA 1.727 55.625 54.000 -0.170 0.000 0.853 251 D CB -1.276 39.461 40.800 -0.105 0.000 0.939 251 D HN 0.250 nan 8.370 nan 0.000 0.481 252 T N -3.486 111.068 114.554 -0.000 0.000 3.122 252 T HA 0.066 4.418 4.350 0.003 0.000 0.250 252 T C 1.380 176.158 174.700 0.130 0.000 1.067 252 T CA -0.602 61.531 62.100 0.054 0.000 0.966 252 T CB -0.720 68.198 68.868 0.084 0.000 1.002 252 T HN -0.043 nan 8.240 nan 0.000 0.542 253 F N 2.660 122.577 119.950 -0.055 0.000 2.202 253 F HA 0.048 4.576 4.527 0.003 0.000 0.301 253 F C 1.852 177.761 175.800 0.182 0.000 1.082 253 F CA 0.809 58.820 58.000 0.019 0.000 1.313 253 F CB -0.353 38.601 39.000 -0.076 0.000 1.024 253 F HN 0.113 nan 8.300 nan 0.000 0.495 254 M N -0.458 119.159 119.600 0.028 0.000 2.549 254 M HA 0.016 4.498 4.480 0.003 0.000 0.260 254 M C 2.160 178.382 176.300 -0.130 0.000 1.076 254 M CA 1.093 56.331 55.300 -0.103 0.000 1.090 254 M CB -2.061 30.533 32.600 -0.011 0.000 1.418 254 M HN 0.239 nan 8.290 nan 0.000 0.486 255 G N -0.902 107.885 108.800 -0.021 0.000 3.141 255 G HA2 0.026 3.987 3.960 0.003 0.000 0.218 255 G HA3 0.026 3.987 3.960 0.003 0.000 0.218 255 G C 0.300 175.211 174.900 0.018 0.000 1.170 255 G CA -0.281 44.830 45.100 0.019 0.000 0.769 255 G HN 0.493 nan 8.290 nan 0.000 0.546 256 C N 2.629 121.931 119.300 0.002 0.000 2.555 256 C HA 0.521 4.982 4.460 0.003 0.000 0.385 256 C C 1.834 176.848 174.990 0.041 0.000 1.296 256 C CA 0.536 59.563 59.018 0.015 0.000 1.757 256 C CB -0.402 27.357 27.740 0.032 0.000 2.445 256 C HN 0.379 nan 8.230 nan 0.000 0.571 257 T N 2.107 116.682 114.554 0.035 0.000 3.040 257 T HA 0.304 4.656 4.350 0.003 0.000 0.266 257 T C -0.193 174.663 174.700 0.261 0.000 1.005 257 T CA 0.041 62.218 62.100 0.129 0.000 0.906 257 T CB -0.205 68.753 68.868 0.149 0.000 1.082 257 T HN 1.036 nan 8.240 nan 0.000 0.531 258 Y N -0.780 119.525 120.300 0.009 0.000 2.702 258 Y HA 0.685 5.237 4.550 0.004 0.000 0.336 258 Y C -2.302 173.560 175.900 -0.064 0.000 1.203 258 Y CA -1.961 56.141 58.100 0.003 0.000 1.072 258 Y CB 0.824 39.303 38.460 0.030 0.000 1.327 258 Y HN -0.046 nan 8.280 nan 0.000 0.456 259 L N 2.463 123.681 121.223 -0.008 0.000 2.330 259 L HA 0.972 5.314 4.340 0.003 0.000 0.271 259 L C -0.412 176.463 176.870 0.008 0.000 1.013 259 L CA -1.334 53.403 54.840 -0.172 0.000 0.816 259 L CB 2.019 43.896 42.059 -0.303 0.000 1.287 259 L HN 0.942 nan 8.230 nan 0.000 0.435 260 A N 1.962 124.722 122.820 -0.100 0.000 2.355 260 A HA 0.802 5.124 4.320 0.003 0.000 0.317 260 A C -0.708 176.793 177.584 -0.137 0.000 1.094 260 A CA -0.544 51.447 52.037 -0.076 0.000 0.764 260 A CB 1.831 20.700 19.000 -0.218 0.000 1.230 260 A HN 0.514 nan 8.150 nan 0.000 0.448 261 V N -0.634 119.210 119.914 -0.117 0.000 3.046 261 V HA 0.945 5.067 4.120 0.003 0.000 0.316 261 V C 0.446 176.503 176.094 -0.062 0.000 1.104 261 V CA -0.558 61.655 62.300 -0.146 0.000 1.006 261 V CB 1.168 32.816 31.823 -0.292 0.000 1.058 261 V HN 1.815 nan 8.190 nan 0.000 0.440 262 A N 1.652 124.467 122.820 -0.009 0.000 2.445 262 A HA 0.667 4.989 4.320 0.003 0.000 0.242 262 A C 1.580 179.197 177.584 0.056 0.000 1.075 262 A CA 0.256 52.305 52.037 0.020 0.000 0.777 262 A CB 0.380 19.403 19.000 0.038 0.000 1.013 262 A HN 2.146 nan 8.150 nan 0.000 0.493 263 A N 1.906 124.739 122.820 0.022 0.000 2.019 263 A HA 0.088 4.409 4.320 0.003 0.000 0.219 263 A C 1.960 179.548 177.584 0.007 0.000 1.164 263 A CA 1.986 54.026 52.037 0.005 0.000 0.644 263 A CB -0.795 18.107 19.000 -0.163 0.000 0.805 263 A HN 1.435 nan 8.150 nan 0.000 0.449 264 G N -2.165 106.635 108.800 0.001 0.000 2.920 264 G HA2 0.023 3.985 3.960 0.003 0.000 0.208 264 G HA3 0.023 3.985 3.960 0.003 0.000 0.208 264 G C 0.598 175.503 174.900 0.008 0.000 1.159 264 G CA -0.047 45.047 45.100 -0.010 0.000 0.784 264 G HN 0.643 nan 8.290 nan 0.000 0.535 265 H N 1.265 120.318 119.070 -0.028 0.000 2.848 265 H HA 0.093 4.650 4.556 0.003 0.000 0.341 265 H C -1.406 173.913 175.328 -0.015 0.000 1.060 265 H CA -1.334 54.699 56.048 -0.024 0.000 1.444 265 H CB 1.921 31.663 29.762 -0.034 0.000 1.446 265 H HN -0.055 nan 8.280 nan 0.000 0.583 266 P HA -0.195 nan 4.420 nan 0.000 0.217 266 P C 1.915 179.299 177.300 0.141 0.000 1.151 266 P CA 0.980 64.066 63.100 -0.023 0.000 0.849 266 P CB 0.148 31.797 31.700 -0.085 0.000 0.787 267 L N -1.007 120.398 121.223 0.303 0.000 2.046 267 L HA -0.174 4.167 4.340 0.003 0.000 0.208 267 L C 2.191 179.030 176.870 -0.051 0.000 1.077 267 L CA 2.040 56.803 54.840 -0.129 0.000 0.747 267 L CB -0.848 40.926 42.059 -0.476 0.000 0.896 267 L HN -0.078 nan 8.230 nan 0.000 0.432 268 A N -0.874 121.982 122.820 0.059 0.000 1.930 268 A HA -0.223 4.099 4.320 0.003 0.000 0.217 268 A C 2.129 179.757 177.584 0.074 0.000 1.175 268 A CA 1.575 53.650 52.037 0.063 0.000 0.627 268 A CB -0.506 18.540 19.000 0.078 0.000 0.815 268 A HN 0.641 nan 8.150 nan 0.000 0.443 269 Q N -0.449 119.393 119.800 0.071 0.000 2.030 269 Q HA -0.254 4.088 4.340 0.003 0.000 0.204 269 Q C 2.198 178.246 176.000 0.081 0.000 0.986 269 Q CA 2.064 57.902 55.803 0.059 0.000 0.843 269 Q CB -0.252 28.511 28.738 0.042 0.000 0.904 269 Q HN 0.727 nan 8.270 nan 0.000 0.420 270 K N 0.611 121.079 120.400 0.113 0.000 2.044 270 K HA -0.212 4.110 4.320 0.003 0.000 0.210 270 K C 1.987 178.703 176.600 0.194 0.000 1.049 270 K CA 1.557 57.945 56.287 0.167 0.000 0.927 270 K CB -0.298 32.344 32.500 0.236 0.000 0.713 270 K HN 0.197 nan 8.250 nan 0.000 0.443 271 A N 0.643 123.605 122.820 0.236 0.000 1.972 271 A HA -0.053 4.269 4.320 0.003 0.000 0.219 271 A C 2.329 179.941 177.584 0.047 0.000 1.169 271 A CA 1.772 53.910 52.037 0.168 0.000 0.635 271 A CB -0.867 18.240 19.000 0.178 0.000 0.810 271 A HN 0.528 nan 8.150 nan 0.000 0.446 272 A N -0.276 122.575 122.820 0.052 0.000 2.019 272 A HA -0.146 4.176 4.320 0.003 0.000 0.219 272 A C 1.789 179.384 177.584 0.018 0.000 1.164 272 A CA 1.581 53.634 52.037 0.027 0.000 0.644 272 A CB -0.496 18.525 19.000 0.035 0.000 0.805 272 A HN 0.629 nan 8.150 nan 0.000 0.449 273 E N 0.212 120.431 120.200 0.032 0.000 2.147 273 E HA -0.174 4.178 4.350 0.003 0.000 0.199 273 E C 0.104 176.708 176.600 0.006 0.000 1.005 273 E CA 1.317 57.732 56.400 0.024 0.000 0.810 273 E CB -0.064 29.660 29.700 0.040 0.000 0.736 273 E HN 0.610 nan 8.360 nan 0.000 0.460 274 N N 0.264 118.960 118.700 -0.007 0.000 2.644 274 N HA 0.124 4.866 4.740 0.003 0.000 0.313 274 N C -1.168 174.315 175.510 -0.045 0.000 1.863 274 N CA 0.014 53.049 53.050 -0.026 0.000 0.918 274 N CB 0.593 39.060 38.487 -0.033 0.000 1.320 274 N HN 0.029 nan 8.380 nan 0.000 0.490 275 N N 0.670 119.348 118.700 -0.036 0.000 2.969 275 N HA 0.176 4.918 4.740 0.003 0.000 0.230 275 N C -2.387 173.106 175.510 -0.029 0.000 1.397 275 N CA -1.016 52.004 53.050 -0.050 0.000 0.762 275 N CB 1.411 39.853 38.487 -0.075 0.000 1.495 275 N HN -0.182 nan 8.380 nan 0.000 0.583 276 P HA -0.180 nan 4.420 nan 0.000 0.218 276 P C 0.888 178.190 177.300 0.002 0.000 1.148 276 P CA 0.931 64.027 63.100 -0.007 0.000 0.822 276 P CB 0.329 32.023 31.700 -0.009 0.000 0.784 277 E N -0.438 119.754 120.200 -0.013 0.000 2.106 277 E HA -0.135 4.216 4.350 0.003 0.000 0.192 277 E C 1.911 178.530 176.600 0.031 0.000 0.984 277 E CA 0.641 57.040 56.400 -0.003 0.000 0.806 277 E CB -0.454 29.221 29.700 -0.043 0.000 0.750 277 E HN 0.173 nan 8.360 nan 0.000 0.458 278 L N 0.339 121.565 121.223 0.005 0.000 2.083 278 L HA -0.167 4.174 4.340 0.003 0.000 0.209 278 L C 2.497 179.429 176.870 0.103 0.000 1.083 278 L CA 1.160 56.037 54.840 0.061 0.000 0.752 278 L CB -0.359 41.701 42.059 0.002 0.000 0.899 278 L HN 0.193 nan 8.230 nan 0.000 0.433 279 A N -0.317 122.534 122.820 0.052 0.000 1.902 279 A HA -0.205 4.117 4.320 0.003 0.000 0.217 279 A C 2.424 180.037 177.584 0.048 0.000 1.181 279 A CA 1.710 53.770 52.037 0.040 0.000 0.623 279 A CB -0.666 18.346 19.000 0.021 0.000 0.818 279 A HN 0.503 nan 8.150 nan 0.000 0.443 280 A N -1.425 121.435 122.820 0.067 0.000 1.930 280 A HA 0.012 4.334 4.320 0.003 0.000 0.217 280 A C 2.021 179.677 177.584 0.120 0.000 1.175 280 A CA 1.567 53.650 52.037 0.076 0.000 0.627 280 A CB -0.628 18.416 19.000 0.075 0.000 0.815 280 A HN 0.650 nan 8.150 nan 0.000 0.443 281 F N 0.493 120.443 119.950 -0.000 0.000 2.128 281 F HA -0.047 4.481 4.527 0.002 0.000 0.295 281 F C 1.910 177.717 175.800 0.012 0.000 1.100 281 F CA 1.286 59.292 58.000 0.010 0.000 1.260 281 F CB -0.277 38.722 39.000 -0.000 0.000 1.009 281 F HN 0.158 nan 8.300 nan 0.000 0.476 282 I N 0.167 120.693 120.570 -0.073 0.000 2.226 282 I HA -0.281 3.891 4.170 0.003 0.000 0.245 282 I C 1.894 177.919 176.117 -0.153 0.000 1.100 282 I CA 1.502 62.703 61.300 -0.166 0.000 1.374 282 I CB -0.499 37.482 38.000 -0.033 0.000 1.057 282 I HN 0.061 nan 8.210 nan 0.000 0.413 283 D N 0.272 120.625 120.400 -0.078 0.000 2.183 283 D HA -0.194 4.448 4.640 0.003 0.000 0.203 283 D C 1.995 178.252 176.300 -0.072 0.000 0.969 283 D CA 0.926 54.891 54.000 -0.058 0.000 0.842 283 D CB -0.102 40.685 40.800 -0.021 0.000 0.957 283 D HN 0.427 nan 8.370 nan 0.000 0.484 284 E N 0.047 120.194 120.200 -0.088 0.000 2.072 284 E HA -0.144 4.208 4.350 0.003 0.000 0.191 284 E C 1.888 178.410 176.600 -0.132 0.000 0.985 284 E CA 0.892 57.246 56.400 -0.077 0.000 0.801 284 E CB 0.034 29.720 29.700 -0.025 0.000 0.750 284 E HN 0.152 nan 8.360 nan 0.000 0.452 285 C N 0.860 119.998 119.300 -0.271 0.000 2.429 285 C HA -0.046 4.416 4.460 0.003 0.000 0.277 285 C C 2.737 177.643 174.990 -0.141 0.000 1.262 285 C CA 0.559 59.420 59.018 -0.260 0.000 1.733 285 C CB -1.104 26.373 27.740 -0.439 0.000 2.010 285 C HN 0.470 nan 8.230 nan 0.000 0.483 286 R N 1.757 122.181 120.500 -0.126 0.000 2.103 286 R HA -0.102 4.240 4.340 0.003 0.000 0.242 286 R C 0.499 176.769 176.300 -0.050 0.000 1.142 286 R CA 1.618 57.673 56.100 -0.076 0.000 0.960 286 R CB -0.203 30.059 30.300 -0.064 0.000 0.858 286 R HN 0.804 nan 8.270 nan 0.000 0.439 300 K N 3.128 123.688 120.400 0.267 0.000 2.453 300 K HA 0.200 4.522 4.320 0.003 0.000 0.280 300 K C -0.599 176.301 176.600 0.499 0.000 1.045 300 K CA -0.038 56.548 56.287 0.498 0.000 1.059 300 K CB 0.416 33.255 32.500 0.565 0.000 0.901 300 K HN 0.482 nan 8.250 nan 0.000 0.475 301 K N 1.334 122.097 120.400 0.604 0.000 2.371 301 K HA 0.586 4.908 4.320 0.003 0.000 0.251 301 K C -0.569 176.288 176.600 0.428 0.000 0.934 301 K CA -0.851 55.744 56.287 0.513 0.000 0.798 301 K CB 2.375 35.187 32.500 0.519 0.000 1.204 301 K HN 0.869 nan 8.250 nan 0.000 0.427 302 G N 0.294 109.058 108.800 -0.059 0.000 2.677 302 G HA2 0.601 4.563 3.960 0.003 0.000 0.291 302 G HA3 0.601 4.563 3.960 0.003 0.000 0.291 302 G C -1.775 172.667 174.900 -0.763 0.000 1.435 302 G CA -0.452 44.404 45.100 -0.406 0.000 0.826 302 G HN 0.328 nan 8.290 nan 0.000 0.491 303 V N 0.801 120.302 119.914 -0.690 0.000 2.733 303 V HA 0.347 4.469 4.120 0.003 0.000 0.306 303 V C -0.921 174.530 176.094 -1.072 0.000 1.084 303 V CA -0.888 60.945 62.300 -0.778 0.000 0.905 303 V CB 1.890 33.369 31.823 -0.573 0.000 1.010 303 V HN 0.841 nan 8.190 nan 0.000 0.424 304 D N 2.768 122.041 120.400 -1.877 0.000 2.493 304 D HA 0.025 4.667 4.640 0.003 0.000 0.240 304 D C 1.368 177.177 176.300 -0.819 0.000 1.142 304 D CA 0.827 53.701 54.000 -1.877 0.000 0.872 304 D CB 1.865 41.772 40.800 -1.487 0.000 1.173 304 D HN 0.823 nan 8.370 nan 0.000 0.467 305 T N 0.719 114.943 114.554 -0.551 0.000 3.067 305 T HA 0.239 4.591 4.350 0.003 0.000 0.257 305 T C 1.493 176.042 174.700 -0.252 0.000 1.105 305 T CA 0.728 62.681 62.100 -0.246 0.000 1.104 305 T CB 0.145 68.994 68.868 -0.032 0.000 0.925 305 T HN 0.621 nan 8.240 nan 0.000 0.498 306 G N 0.700 109.315 108.800 -0.309 0.000 2.268 306 G HA2 -0.194 3.768 3.960 0.003 0.000 0.240 306 G HA3 -0.194 3.768 3.960 0.003 0.000 0.240 306 G C -0.083 174.642 174.900 -0.292 0.000 1.010 306 G CA -0.168 44.742 45.100 -0.318 0.000 0.618 306 G HN 0.521 nan 8.290 nan 0.000 0.516 307 F N 1.216 121.082 119.950 -0.140 0.000 2.418 307 F HA 0.671 5.200 4.527 0.003 0.000 0.341 307 F C 0.770 176.534 175.800 -0.060 0.000 1.120 307 F CA -0.020 57.917 58.000 -0.105 0.000 1.232 307 F CB 1.214 40.107 39.000 -0.178 0.000 1.175 307 F HN -0.125 nan 8.300 nan 0.000 0.569 308 K N 1.994 122.520 120.400 0.210 0.000 2.358 308 K HA 0.654 4.976 4.320 0.003 0.000 0.260 308 K C -0.603 176.087 176.600 0.150 0.000 0.956 308 K CA -0.417 55.956 56.287 0.144 0.000 0.834 308 K CB 1.626 34.192 32.500 0.111 0.000 1.102 308 K HN 0.614 nan 8.250 nan 0.000 0.431 309 A N 2.152 125.040 122.820 0.113 0.000 2.286 309 A HA 0.531 4.853 4.320 0.003 0.000 0.286 309 A C -0.606 177.097 177.584 0.199 0.000 1.097 309 A CA -0.591 51.527 52.037 0.136 0.000 0.821 309 A CB 0.686 19.698 19.000 0.019 0.000 1.076 309 A HN 0.454 nan 8.150 nan 0.000 0.490 310 V N 3.217 123.292 119.914 0.268 0.000 2.347 310 V HA 0.165 4.287 4.120 0.003 0.000 0.280 310 V C 0.265 176.568 176.094 0.347 0.000 1.021 310 V CA -0.537 61.914 62.300 0.252 0.000 0.847 310 V CB 0.906 32.835 31.823 0.177 0.000 0.990 310 V HN 0.918 nan 8.190 nan 0.000 0.444 311 H N 9.179 128.383 119.070 0.223 0.000 3.026 311 H HA 0.129 4.686 4.556 0.003 0.000 0.289 311 H C -1.570 173.808 175.328 0.082 0.000 1.022 311 H CA -1.578 54.585 56.048 0.192 0.000 1.477 311 H CB 1.834 31.622 29.762 0.045 0.000 1.510 311 H HN 0.393 nan 8.280 nan 0.000 0.535 312 P HA -0.076 nan 4.420 nan 0.000 0.226 312 P C 1.169 178.593 177.300 0.206 0.000 1.153 312 P CA 0.743 63.903 63.100 0.100 0.000 0.777 312 P CB 0.621 32.292 31.700 -0.048 0.000 0.794 313 L N -2.042 119.419 121.223 0.395 0.000 2.500 313 L HA 0.145 4.487 4.340 0.003 0.000 0.219 313 L C 2.373 179.329 176.870 0.144 0.000 1.057 313 L CA 0.759 55.775 54.840 0.294 0.000 0.854 313 L CB -0.717 41.590 42.059 0.414 0.000 1.078 313 L HN -0.122 nan 8.230 nan 0.000 0.480 314 T N -0.872 113.722 114.554 0.068 0.000 3.035 314 T HA 0.092 4.443 4.350 0.003 0.000 0.259 314 T C 1.419 176.104 174.700 -0.025 0.000 1.078 314 T CA 1.123 63.129 62.100 -0.157 0.000 1.132 314 T CB 0.129 68.629 68.868 -0.613 0.000 0.900 314 T HN 0.567 nan 8.240 nan 0.000 0.480 315 G N 2.109 110.952 108.800 0.072 0.000 2.184 315 G HA2 -0.256 3.706 3.960 0.003 0.000 0.264 315 G HA3 -0.256 3.706 3.960 0.003 0.000 0.264 315 G C 0.032 174.975 174.900 0.071 0.000 0.975 315 G CA 0.655 45.799 45.100 0.073 0.000 0.642 315 G HN 0.701 nan 8.290 nan 0.000 0.536 316 E N 0.622 120.860 120.200 0.064 0.000 2.250 316 E HA 0.594 4.946 4.350 0.003 0.000 0.269 316 E C -0.364 176.301 176.600 0.109 0.000 1.018 316 E CA -0.918 55.519 56.400 0.062 0.000 0.873 316 E CB 1.189 30.899 29.700 0.017 0.000 1.134 316 E HN 0.405 nan 8.360 nan 0.000 0.403 317 E N 2.062 122.317 120.200 0.092 0.000 2.290 317 E HA 0.237 4.589 4.350 0.003 0.000 0.277 317 E C -0.043 176.623 176.600 0.109 0.000 1.035 317 E CA -0.197 56.267 56.400 0.108 0.000 0.873 317 E CB 0.762 30.514 29.700 0.086 0.000 1.029 317 E HN 0.422 nan 8.360 nan 0.000 0.419 318 I N 0.049 120.698 120.570 0.131 0.000 2.569 318 I HA 0.561 4.733 4.170 0.003 0.000 0.296 318 I C -2.626 173.580 176.117 0.148 0.000 1.028 318 I CA -3.166 58.217 61.300 0.138 0.000 1.082 318 I CB 2.042 40.128 38.000 0.143 0.000 1.264 318 I HN 0.210 nan 8.210 nan 0.000 0.429 319 P HA 0.144 nan 4.420 nan 0.000 0.274 319 P C -0.664 176.806 177.300 0.283 0.000 1.231 319 P CA -0.204 63.038 63.100 0.236 0.000 0.790 319 P CB 1.560 33.471 31.700 0.353 0.000 0.951 320 V N 2.785 122.814 119.914 0.190 0.000 2.357 320 V HA 0.258 4.380 4.120 0.003 0.000 0.284 320 V C -0.407 175.767 176.094 0.133 0.000 1.018 320 V CA -0.286 62.102 62.300 0.147 0.000 0.841 320 V CB 0.568 32.396 31.823 0.008 0.000 0.991 320 V HN 0.544 nan 8.190 nan 0.000 0.437 321 W N 2.637 123.946 121.300 0.014 0.000 2.551 321 W HA 0.747 5.408 4.660 0.001 0.000 0.330 321 W C 0.320 176.812 176.519 -0.045 0.000 1.063 321 W CA -0.542 56.797 57.345 -0.011 0.000 1.222 321 W CB 1.672 31.182 29.460 0.083 0.000 1.349 321 W HN 0.628 nan 8.180 nan 0.000 0.536 322 A N 2.135 125.014 122.820 0.099 0.000 2.363 322 A HA 0.818 5.140 4.320 0.003 0.000 0.270 322 A C -0.511 177.207 177.584 0.224 0.000 1.121 322 A CA -0.204 51.923 52.037 0.150 0.000 0.800 322 A CB 0.189 19.324 19.000 0.225 0.000 1.052 322 A HN 0.826 nan 8.150 nan 0.000 0.493 323 A N 2.074 124.988 122.820 0.157 0.000 2.515 323 A HA 0.584 4.906 4.320 0.003 0.000 0.298 323 A C 0.645 178.255 177.584 0.043 0.000 1.059 323 A CA -0.369 51.690 52.037 0.036 0.000 0.698 323 A CB 0.877 19.502 19.000 -0.624 0.000 1.289 323 A HN 1.001 nan 8.150 nan 0.000 0.404 324 N N 0.546 119.406 118.700 0.266 0.000 2.396 324 N HA -0.114 4.627 4.740 0.003 0.000 0.180 324 N C 0.764 176.358 175.510 0.140 0.000 1.028 324 N CA 1.939 55.131 53.050 0.238 0.000 0.893 324 N CB -0.616 38.093 38.487 0.369 0.000 0.967 324 N HN 0.746 nan 8.380 nan 0.000 0.440 325 F N -0.763 119.290 119.950 0.171 0.000 2.765 325 F HA 0.480 5.008 4.527 0.002 0.000 0.302 325 F C 0.065 175.912 175.800 0.079 0.000 1.111 325 F CA -0.939 57.127 58.000 0.111 0.000 1.359 325 F CB -0.393 38.669 39.000 0.103 0.000 1.097 325 F HN -0.253 nan 8.300 nan 0.000 0.577 326 V N 3.458 123.271 119.914 -0.167 0.000 2.439 326 V HA 0.330 4.452 4.120 0.003 0.000 0.282 326 V C 0.131 176.223 176.094 -0.003 0.000 1.039 326 V CA -0.889 61.370 62.300 -0.069 0.000 0.913 326 V CB 1.673 33.395 31.823 -0.169 0.000 0.983 326 V HN 0.204 nan 8.190 nan 0.000 0.460 327 L N 4.444 125.689 121.223 0.037 0.000 2.331 327 L HA 0.423 4.765 4.340 0.003 0.000 0.275 327 L C 0.956 177.827 176.870 0.002 0.000 1.022 327 L CA -0.739 54.114 54.840 0.021 0.000 0.812 327 L CB 1.807 43.895 42.059 0.048 0.000 1.257 327 L HN 0.560 nan 8.230 nan 0.000 0.435 328 M N 0.581 120.160 119.600 -0.035 0.000 2.123 328 M HA -0.009 4.473 4.480 0.003 0.000 0.263 328 M C 0.463 176.692 176.300 -0.118 0.000 1.069 328 M CA 1.150 56.420 55.300 -0.050 0.000 1.133 328 M CB -0.725 31.834 32.600 -0.069 0.000 1.356 328 M HN 0.537 nan 8.290 nan 0.000 0.415 329 E N -0.115 119.939 120.200 -0.243 0.000 2.392 329 E HA 0.041 4.393 4.350 0.003 0.000 0.264 329 E C -0.413 175.876 176.600 -0.519 0.000 1.024 329 E CA 0.105 56.174 56.400 -0.552 0.000 0.903 329 E CB -0.162 28.992 29.700 -0.910 0.000 0.963 329 E HN 0.346 nan 8.360 nan 0.000 0.432 330 Y N -0.752 119.550 120.300 0.004 0.000 4.929 330 Y HA -0.292 4.259 4.550 0.003 0.000 0.253 330 Y C 0.850 176.748 175.900 -0.004 0.000 0.946 330 Y CA 0.438 58.537 58.100 -0.001 0.000 1.905 330 Y CB -1.698 36.763 38.460 0.001 0.000 1.400 330 Y HN 0.688 nan 8.280 nan 0.000 0.531 331 G N -0.672 108.170 108.800 0.070 0.000 2.871 331 G HA2 0.438 4.400 3.960 0.003 0.000 0.282 331 G HA3 0.438 4.400 3.960 0.003 0.000 0.282 331 G C 0.501 175.426 174.900 0.042 0.000 1.212 331 G CA -0.043 45.092 45.100 0.058 0.000 0.812 331 G HN 0.267 nan 8.290 nan 0.000 0.547 332 T N -2.838 111.754 114.554 0.063 0.000 3.065 332 T HA 0.377 4.729 4.350 0.003 0.000 0.252 332 T C 1.849 176.634 174.700 0.141 0.000 1.099 332 T CA 1.179 63.332 62.100 0.088 0.000 1.063 332 T CB 0.229 69.155 68.868 0.098 0.000 0.948 332 T HN 2.385 nan 8.240 nan 0.000 0.506 333 G N 1.063 109.931 108.800 0.113 0.000 2.153 333 G HA2 0.057 4.019 3.960 0.003 0.000 0.252 333 G HA3 0.057 4.019 3.960 0.003 0.000 0.252 333 G C 0.146 175.093 174.900 0.078 0.000 0.994 333 G CA -0.056 45.131 45.100 0.144 0.000 0.698 333 G HN 1.362 nan 8.290 nan 0.000 0.521 334 A N -1.250 121.587 122.820 0.029 0.000 2.449 334 A HA 1.012 5.334 4.320 0.003 0.000 0.302 334 A C -0.166 177.407 177.584 -0.019 0.000 1.048 334 A CA -0.025 51.977 52.037 -0.059 0.000 0.708 334 A CB 2.304 21.237 19.000 -0.112 0.000 1.274 334 A HN 1.910 nan 8.150 nan 0.000 0.410 335 V N 0.123 120.001 119.914 -0.059 0.000 2.962 335 V HA 0.853 4.975 4.120 0.003 0.000 0.313 335 V C -0.213 175.817 176.094 -0.107 0.000 1.099 335 V CA -0.926 61.355 62.300 -0.032 0.000 0.971 335 V CB 1.635 33.466 31.823 0.013 0.000 1.028 335 V HN 1.339 nan 8.190 nan 0.000 0.430 336 M N 2.885 122.439 119.600 -0.076 0.000 2.288 336 M HA 0.932 5.413 4.480 0.003 0.000 0.334 336 M C -0.222 175.963 176.300 -0.192 0.000 1.150 336 M CA -0.097 55.124 55.300 -0.132 0.000 1.118 336 M CB 1.602 34.227 32.600 0.042 0.000 1.501 336 M HN 1.148 nan 8.290 nan 0.000 0.462 337 A N 2.455 125.046 122.820 -0.382 0.000 2.365 337 A HA 0.736 5.058 4.320 0.003 0.000 0.318 337 A C -0.991 176.408 177.584 -0.308 0.000 1.091 337 A CA -0.746 50.995 52.037 -0.494 0.000 0.763 337 A CB 1.723 19.975 19.000 -1.247 0.000 1.248 337 A HN 0.767 nan 8.150 nan 0.000 0.442 338 V N 4.307 124.152 119.914 -0.116 0.000 2.465 338 V HA 0.248 4.370 4.120 0.003 0.000 0.263 338 V C -1.991 174.134 176.094 0.052 0.000 0.981 338 V CA -0.816 61.490 62.300 0.009 0.000 0.838 338 V CB 1.248 33.129 31.823 0.097 0.000 1.068 338 V HN 0.781 nan 8.190 nan 0.000 0.458 339 P HA -0.068 nan 4.420 nan 0.000 0.222 339 P C 1.695 179.047 177.300 0.086 0.000 1.147 339 P CA 1.269 64.441 63.100 0.120 0.000 0.790 339 P CB 0.326 32.113 31.700 0.146 0.000 0.780 340 G N -1.230 107.532 108.800 -0.063 0.000 2.509 340 G HA2 -0.176 3.786 3.960 0.003 0.000 0.218 340 G HA3 -0.176 3.786 3.960 0.003 0.000 0.218 340 G C 0.946 175.455 174.900 -0.651 0.000 1.124 340 G CA 0.663 45.546 45.100 -0.361 0.000 0.776 340 G HN 0.375 nan 8.290 nan 0.000 0.547 341 H N -1.264 117.884 119.070 0.130 0.000 3.124 341 H HA 0.188 4.746 4.556 0.003 0.000 0.250 341 H C -1.022 174.349 175.328 0.071 0.000 1.184 341 H CA -0.345 55.759 56.048 0.093 0.000 1.013 341 H CB 1.141 30.956 29.762 0.088 0.000 1.891 341 H HN 0.342 nan 8.280 nan 0.000 0.687 342 D N 1.108 121.590 120.400 0.135 0.000 2.855 342 D HA 0.038 4.680 4.640 0.003 0.000 0.241 342 D C 0.719 177.076 176.300 0.095 0.000 1.277 342 D CA -0.297 53.760 54.000 0.095 0.000 0.918 342 D CB 2.709 43.554 40.800 0.075 0.000 1.462 342 D HN -0.063 nan 8.370 nan 0.000 0.559 343 Q N 3.721 123.554 119.800 0.055 0.000 2.046 343 Q HA -0.121 4.221 4.340 0.003 0.000 0.200 343 Q C 2.030 178.084 176.000 0.090 0.000 0.975 343 Q CA 1.796 57.629 55.803 0.050 0.000 0.836 343 Q CB -0.033 28.700 28.738 -0.009 0.000 0.896 343 Q HN 0.608 nan 8.270 nan 0.000 0.428 344 R N -0.084 120.432 120.500 0.026 0.000 2.083 344 R HA -0.167 4.174 4.340 0.003 0.000 0.237 344 R C 1.408 177.760 176.300 0.086 0.000 1.137 344 R CA 1.954 58.045 56.100 -0.016 0.000 0.951 344 R CB -0.362 29.823 30.300 -0.191 0.000 0.851 344 R HN 0.298 nan 8.270 nan 0.000 0.434 345 D N -0.312 120.150 120.400 0.104 0.000 2.123 345 D HA -0.224 4.418 4.640 0.003 0.000 0.196 345 D C 1.614 178.076 176.300 0.271 0.000 0.992 345 D CA 1.318 55.446 54.000 0.213 0.000 0.833 345 D CB -0.553 40.318 40.800 0.118 0.000 0.954 345 D HN 0.316 nan 8.370 nan 0.000 0.455 346 Y N 1.767 122.121 120.300 0.090 0.000 2.114 346 Y HA -0.247 4.304 4.550 0.002 0.000 0.282 346 Y C 2.098 178.029 175.900 0.051 0.000 1.165 346 Y CA 1.958 60.091 58.100 0.054 0.000 1.148 346 Y CB -0.047 38.419 38.460 0.009 0.000 0.972 346 Y HN 0.027 nan 8.280 nan 0.000 0.504 347 E N -1.142 119.214 120.200 0.261 0.000 2.107 347 E HA -0.171 4.180 4.350 0.003 0.000 0.191 347 E C 1.956 178.586 176.600 0.051 0.000 0.982 347 E CA 1.002 57.487 56.400 0.142 0.000 0.809 347 E CB -0.403 29.375 29.700 0.130 0.000 0.756 347 E HN 0.515 nan 8.360 nan 0.000 0.459 348 F N 1.641 121.597 119.950 0.010 0.000 2.075 348 F HA -0.177 4.353 4.527 0.004 0.000 0.297 348 F C 2.302 178.018 175.800 -0.141 0.000 1.113 348 F CA 1.525 59.543 58.000 0.029 0.000 1.218 348 F CB -0.236 38.898 39.000 0.223 0.000 0.984 348 F HN -0.043 nan 8.300 nan 0.000 0.472 349 A N -0.769 122.083 122.820 0.053 0.000 1.933 349 A HA -0.169 4.153 4.320 0.003 0.000 0.218 349 A C 2.311 179.712 177.584 -0.305 0.000 1.175 349 A CA 2.061 53.978 52.037 -0.201 0.000 0.628 349 A CB -1.175 17.777 19.000 -0.080 0.000 0.814 349 A HN 0.443 nan 8.150 nan 0.000 0.444 350 S N -0.648 114.865 115.700 -0.312 0.000 2.368 350 S HA -0.133 4.339 4.470 0.003 0.000 0.224 350 S C 1.988 176.399 174.600 -0.314 0.000 1.029 350 S CA 1.532 59.543 58.200 -0.315 0.000 0.988 350 S CB -0.222 62.802 63.200 -0.292 0.000 0.838 350 S HN 0.696 nan 8.310 nan 0.000 0.462 351 K N 0.014 120.167 120.400 -0.412 0.000 2.147 351 K HA -0.082 4.240 4.320 0.003 0.000 0.205 351 K C 0.863 177.019 176.600 -0.740 0.000 1.049 351 K CA 1.347 57.262 56.287 -0.621 0.000 0.936 351 K CB -0.093 31.889 32.500 -0.864 0.000 0.722 351 K HN 0.480 nan 8.250 nan 0.000 0.446 352 Y N -1.228 118.775 120.300 -0.496 0.000 2.500 352 Y HA 0.232 4.784 4.550 0.003 0.000 0.246 352 Y C 0.794 176.463 175.900 -0.385 0.000 1.146 352 Y CA -0.152 57.621 58.100 -0.545 0.000 1.230 352 Y CB 1.743 39.504 38.460 -1.164 0.000 1.214 352 Y HN 0.247 nan 8.280 nan 0.000 0.526 353 G N 1.496 110.171 108.800 -0.209 0.000 2.171 353 G HA2 -0.255 3.707 3.960 0.003 0.000 0.238 353 G HA3 -0.255 3.707 3.960 0.003 0.000 0.238 353 G C -0.340 174.472 174.900 -0.147 0.000 1.039 353 G CA -0.119 44.897 45.100 -0.139 0.000 0.759 353 G HN 0.232 nan 8.290 nan 0.000 0.501 354 L N -0.657 120.420 121.223 -0.244 0.000 2.375 354 L HA 0.480 4.822 4.340 0.003 0.000 0.268 354 L C 0.788 177.584 176.870 -0.124 0.000 1.058 354 L CA -1.308 53.394 54.840 -0.229 0.000 0.803 354 L CB 0.913 42.666 42.059 -0.510 0.000 1.212 354 L HN 0.126 nan 8.230 nan 0.000 0.451 355 N N 1.403 120.079 118.700 -0.041 0.000 2.468 355 N HA 0.196 4.938 4.740 0.003 0.000 0.265 355 N C -0.841 174.667 175.510 -0.005 0.000 1.199 355 N CA 0.213 53.253 53.050 -0.016 0.000 0.928 355 N CB 0.333 38.828 38.487 0.012 0.000 1.059 355 N HN 0.383 nan 8.380 nan 0.000 0.467 356 I N 3.044 123.588 120.570 -0.044 0.000 2.347 356 I HA 0.161 4.332 4.170 0.003 0.000 0.283 356 I C 0.328 176.428 176.117 -0.027 0.000 1.058 356 I CA -0.533 60.737 61.300 -0.051 0.000 1.202 356 I CB 0.571 38.490 38.000 -0.136 0.000 1.386 356 I HN 0.331 nan 8.210 nan 0.000 0.475 357 K N 8.882 129.270 120.400 -0.020 0.000 2.263 357 K HA 0.455 4.776 4.320 0.003 0.000 0.272 357 K C -2.494 174.096 176.600 -0.017 0.000 1.033 357 K CA -1.685 54.587 56.287 -0.025 0.000 0.884 357 K CB 1.312 33.791 32.500 -0.035 0.000 1.107 357 K HN 0.166 nan 8.250 nan 0.000 0.460 358 P HA 0.030 nan 4.420 nan 0.000 0.282 358 P C 0.097 177.385 177.300 -0.019 0.000 1.262 358 P CA -0.319 62.875 63.100 0.158 0.000 0.773 358 P CB 1.269 33.153 31.700 0.307 0.000 0.879 359 V N 0.600 120.703 119.914 0.315 0.000 3.392 359 V HA 0.417 4.539 4.120 0.003 0.000 0.294 359 V C 0.267 176.427 176.094 0.110 0.000 1.561 359 V CA 0.004 62.241 62.300 -0.106 0.000 1.056 359 V CB -0.387 31.411 31.823 -0.042 0.000 0.882 359 V HN 0.181 nan 8.190 nan 0.000 0.440 360 I N 1.701 122.412 120.570 0.237 0.000 2.436 360 I HA 0.497 4.668 4.170 0.003 0.000 0.289 360 I C -0.325 175.978 176.117 0.311 0.000 1.010 360 I CA -0.655 60.729 61.300 0.139 0.000 1.098 360 I CB 2.189 40.002 38.000 -0.312 0.000 1.266 360 I HN 0.056 nan 8.210 nan 0.000 0.434 361 L N 5.087 126.407 121.223 0.162 0.000 2.452 361 L HA 0.478 4.820 4.340 0.003 0.000 0.267 361 L C 0.936 177.802 176.870 -0.006 0.000 1.188 361 L CA -0.303 54.499 54.840 -0.064 0.000 0.821 361 L CB 0.504 42.479 42.059 -0.140 0.000 1.102 361 L HN 0.710 nan 8.230 nan 0.000 0.470 362 A N 1.946 124.746 122.820 -0.032 0.000 2.429 362 A HA 0.361 4.683 4.320 0.003 0.000 0.242 362 A C 1.345 178.920 177.584 -0.016 0.000 1.088 362 A CA 0.443 52.475 52.037 -0.009 0.000 0.784 362 A CB 0.088 19.077 19.000 -0.018 0.000 1.038 362 A HN 0.959 nan 8.150 nan 0.000 0.501 363 A N 0.418 123.233 122.820 -0.007 0.000 1.940 363 A HA -0.169 4.152 4.320 0.003 0.000 0.219 363 A C 1.368 178.944 177.584 -0.013 0.000 1.176 363 A CA 2.156 54.189 52.037 -0.007 0.000 0.631 363 A CB -0.769 18.227 19.000 -0.006 0.000 0.814 363 A HN 0.943 nan 8.150 nan 0.000 0.446 364 D N -2.111 118.278 120.400 -0.019 0.000 2.324 364 D HA 0.298 4.940 4.640 0.003 0.000 0.235 364 D C 1.093 177.373 176.300 -0.033 0.000 1.095 364 D CA 0.818 54.805 54.000 -0.022 0.000 0.871 364 D CB -0.721 40.066 40.800 -0.021 0.000 0.906 364 D HN 0.798 nan 8.370 nan 0.000 0.522 365 G N -0.187 108.587 108.800 -0.043 0.000 2.159 365 G HA2 -0.273 3.689 3.960 0.003 0.000 0.256 365 G HA3 -0.273 3.689 3.960 0.003 0.000 0.256 365 G C 0.332 175.168 174.900 -0.107 0.000 0.977 365 G CA 0.455 45.518 45.100 -0.061 0.000 0.652 365 G HN 0.891 nan 8.290 nan 0.000 0.531 366 S N -0.511 115.124 115.700 -0.109 0.000 2.654 366 S HA 0.663 5.135 4.470 0.003 0.000 0.283 366 S C 0.032 174.503 174.600 -0.215 0.000 1.180 366 S CA -0.399 57.717 58.200 -0.140 0.000 1.021 366 S CB 1.823 64.974 63.200 -0.082 0.000 1.018 366 S HN 0.360 nan 8.310 nan 0.000 0.532 367 E N 2.773 122.813 120.200 -0.267 0.000 2.376 367 E HA 0.217 4.569 4.350 0.003 0.000 0.266 367 E C -1.949 174.599 176.600 -0.086 0.000 1.009 367 E CA -1.481 54.725 56.400 -0.323 0.000 0.902 367 E CB 0.118 29.667 29.700 -0.251 0.000 0.972 367 E HN 0.537 nan 8.360 nan 0.000 0.439 368 P HA -0.040 nan 4.420 nan 0.000 0.269 368 P C -0.640 176.704 177.300 0.074 0.000 1.209 368 P CA -0.100 63.044 63.100 0.074 0.000 0.776 368 P CB 0.634 32.441 31.700 0.178 0.000 0.876 369 D N 2.154 122.583 120.400 0.048 0.000 2.313 369 D HA 0.152 4.794 4.640 0.003 0.000 0.239 369 D C 0.208 176.538 176.300 0.050 0.000 1.142 369 D CA -0.184 53.843 54.000 0.045 0.000 0.847 369 D CB 0.043 40.856 40.800 0.022 0.000 1.082 369 D HN 0.230 nan 8.370 nan 0.000 0.480 370 L N 3.232 124.507 121.223 0.086 0.000 3.110 370 L HA 0.092 4.434 4.340 0.003 0.000 0.266 370 L C 1.790 178.790 176.870 0.217 0.000 1.257 370 L CA -0.158 54.768 54.840 0.143 0.000 1.038 370 L CB 0.137 42.307 42.059 0.186 0.000 1.395 370 L HN 0.351 nan 8.230 nan 0.000 0.566 371 S N -1.280 114.495 115.700 0.125 0.000 2.428 371 S HA -0.089 4.383 4.470 0.003 0.000 0.230 371 S C 1.540 176.233 174.600 0.156 0.000 1.014 371 S CA 0.615 58.890 58.200 0.124 0.000 0.957 371 S CB 0.157 63.396 63.200 0.064 0.000 0.784 371 S HN 0.550 nan 8.310 nan 0.000 0.499 372 Q N 0.180 120.028 119.800 0.079 0.000 2.511 372 Q HA 0.266 4.608 4.340 0.003 0.000 0.236 372 Q C 0.570 176.421 176.000 -0.248 0.000 0.893 372 Q CA 0.202 56.008 55.803 0.005 0.000 0.947 372 Q CB 0.521 29.237 28.738 -0.037 0.000 1.110 372 Q HN 0.846 nan 8.270 nan 0.000 0.591 373 Q N -0.874 118.593 119.800 -0.555 0.000 2.575 373 Q HA 0.695 5.036 4.340 0.003 0.000 0.290 373 Q C -1.584 173.872 176.000 -0.907 0.000 0.963 373 Q CA -0.759 54.415 55.803 -1.049 0.000 0.783 373 Q CB 1.315 29.777 28.738 -0.460 0.000 1.467 373 Q HN 0.020 nan 8.270 nan 0.000 0.402 374 A N 0.888 123.248 122.820 -0.767 0.000 2.406 374 A HA 0.457 4.778 4.320 0.003 0.000 0.243 374 A C -0.627 176.904 177.584 -0.089 0.000 1.082 374 A CA -0.448 51.452 52.037 -0.228 0.000 0.786 374 A CB 0.271 19.249 19.000 -0.037 0.000 1.029 374 A HN 0.618 nan 8.150 nan 0.000 0.495 375 L N 2.174 123.427 121.223 0.050 0.000 2.283 375 L HA 0.382 4.724 4.340 0.003 0.000 0.281 375 L C 1.278 178.285 176.870 0.229 0.000 1.033 375 L CA 0.327 55.258 54.840 0.152 0.000 0.848 375 L CB 1.010 43.210 42.059 0.235 0.000 1.226 375 L HN 0.820 nan 8.230 nan 0.000 0.429 376 T N -0.602 114.018 114.554 0.109 0.000 3.100 376 T HA 0.183 4.535 4.350 0.003 0.000 0.253 376 T C 0.529 175.262 174.700 0.056 0.000 1.118 376 T CA -0.206 61.950 62.100 0.093 0.000 1.058 376 T CB -0.276 68.619 68.868 0.046 0.000 0.953 376 T HN 0.471 nan 8.240 nan 0.000 0.515 377 E N 2.208 122.436 120.200 0.046 0.000 2.384 377 E HA 0.221 4.573 4.350 0.003 0.000 0.266 377 E C -0.357 176.238 176.600 -0.009 0.000 1.012 377 E CA -0.063 56.341 56.400 0.008 0.000 0.901 377 E CB 0.882 30.588 29.700 0.010 0.000 0.967 377 E HN 0.475 nan 8.360 nan 0.000 0.435 378 K N 1.198 121.566 120.400 -0.053 0.000 2.379 378 K HA 0.403 4.724 4.320 0.003 0.000 0.284 378 K C 0.338 176.936 176.600 -0.003 0.000 1.044 378 K CA -0.017 56.230 56.287 -0.066 0.000 0.974 378 K CB 0.922 33.240 32.500 -0.303 0.000 0.962 378 K HN 0.641 nan 8.250 nan 0.000 0.474 379 G N 0.950 109.779 108.800 0.049 0.000 2.815 379 G HA2 0.388 4.350 3.960 0.003 0.000 0.305 379 G HA3 0.388 4.350 3.960 0.003 0.000 0.305 379 G C -1.277 173.673 174.900 0.083 0.000 1.277 379 G CA -0.646 44.485 45.100 0.053 0.000 0.795 379 G HN 0.337 nan 8.290 nan 0.000 0.528 380 V N 1.288 121.247 119.914 0.074 0.000 2.509 380 V HA 0.374 4.496 4.120 0.003 0.000 0.284 380 V C 0.426 176.603 176.094 0.139 0.000 1.047 380 V CA -0.586 61.770 62.300 0.093 0.000 0.952 380 V CB 1.297 33.161 31.823 0.069 0.000 0.988 380 V HN 0.468 nan 8.190 nan 0.000 0.469 381 L N 5.444 126.759 121.223 0.153 0.000 2.397 381 L HA 0.469 4.810 4.340 0.003 0.000 0.271 381 L C -0.241 176.809 176.870 0.299 0.000 1.148 381 L CA 0.200 55.159 54.840 0.197 0.000 0.825 381 L CB 0.588 42.738 42.059 0.152 0.000 1.117 381 L HN 0.785 nan 8.230 nan 0.000 0.456 382 F N 1.371 121.355 119.950 0.057 0.000 2.664 382 F HA 0.456 4.985 4.527 0.003 0.000 0.317 382 F C 0.364 176.202 175.800 0.063 0.000 1.108 382 F CA -1.728 56.305 58.000 0.056 0.000 0.957 382 F CB 0.753 39.782 39.000 0.049 0.000 1.365 382 F HN 0.482 nan 8.300 nan 0.000 0.475 383 N N -0.012 118.505 118.700 -0.305 0.000 2.725 383 N HA -0.215 4.526 4.740 0.003 0.000 0.249 383 N C -0.432 174.954 175.510 -0.208 0.000 1.103 383 N CA 1.144 53.967 53.050 -0.378 0.000 0.707 383 N CB -1.258 36.767 38.487 -0.770 0.000 1.043 383 N HN 0.676 nan 8.380 nan 0.000 0.553 384 S N -1.470 114.188 115.700 -0.070 0.000 2.952 384 S HA 0.532 5.004 4.470 0.003 0.000 0.251 384 S C 1.109 175.755 174.600 0.076 0.000 1.021 384 S CA 0.105 58.330 58.200 0.041 0.000 1.067 384 S CB 0.587 63.862 63.200 0.124 0.000 1.002 384 S HN 0.931 nan 8.310 nan 0.000 0.574 385 G N 3.799 112.591 108.800 -0.014 0.000 2.622 385 G HA2 -0.415 3.546 3.960 0.003 0.000 0.307 385 G HA3 -0.415 3.546 3.960 0.003 0.000 0.307 385 G C 0.783 175.599 174.900 -0.139 0.000 1.226 385 G CA 0.692 45.747 45.100 -0.076 0.000 0.997 385 G HN 0.616 nan 8.290 nan 0.000 0.551 386 E N 0.479 120.479 120.200 -0.332 0.000 2.401 386 E HA 0.044 4.396 4.350 0.003 0.000 0.199 386 E C 1.769 178.119 176.600 -0.417 0.000 1.023 386 E CA 1.662 57.807 56.400 -0.425 0.000 0.859 386 E CB -0.242 29.116 29.700 -0.570 0.000 0.780 386 E HN 0.506 nan 8.360 nan 0.000 0.523 387 F N 1.108 121.069 119.950 0.019 0.000 2.693 387 F HA 0.259 4.787 4.527 0.003 0.000 0.303 387 F C 0.344 176.164 175.800 0.035 0.000 1.097 387 F CA -0.764 57.251 58.000 0.025 0.000 1.330 387 F CB -0.347 38.669 39.000 0.027 0.000 1.067 387 F HN -0.171 nan 8.300 nan 0.000 0.565 388 N N 0.821 119.602 118.700 0.134 0.000 2.458 388 N HA 0.264 5.006 4.740 0.003 0.000 0.258 388 N C 1.415 176.994 175.510 0.114 0.000 1.219 388 N CA 1.243 54.368 53.050 0.126 0.000 0.902 388 N CB 0.662 39.203 38.487 0.091 0.000 1.076 388 N HN 0.397 nan 8.380 nan 0.000 0.455 389 G N 0.625 109.499 108.800 0.124 0.000 2.179 389 G HA2 -0.258 3.704 3.960 0.003 0.000 0.260 389 G HA3 -0.258 3.704 3.960 0.003 0.000 0.260 389 G C -0.036 174.919 174.900 0.091 0.000 0.977 389 G CA -0.104 45.053 45.100 0.095 0.000 0.641 389 G HN 0.461 nan 8.290 nan 0.000 0.533 390 L N 1.970 123.260 121.223 0.111 0.000 2.326 390 L HA 0.461 4.803 4.340 0.003 0.000 0.278 390 L C 0.825 177.751 176.870 0.093 0.000 1.092 390 L CA -0.760 54.140 54.840 0.101 0.000 0.810 390 L CB 0.728 42.861 42.059 0.123 0.000 1.153 390 L HN 0.401 nan 8.230 nan 0.000 0.439 391 D N 0.181 120.630 120.400 0.080 0.000 2.398 391 D HA -0.071 4.570 4.640 0.003 0.000 0.247 391 D C 1.120 177.484 176.300 0.106 0.000 1.227 391 D CA -0.142 53.913 54.000 0.092 0.000 0.980 391 D CB 0.329 41.178 40.800 0.080 0.000 1.106 391 D HN 0.530 nan 8.370 nan 0.000 0.493 392 H N -0.340 118.758 119.070 0.048 0.000 2.319 392 H HA -0.199 4.359 4.556 0.003 0.000 0.297 392 H C 1.489 176.872 175.328 0.092 0.000 1.097 392 H CA 2.265 58.351 56.048 0.064 0.000 1.285 392 H CB 0.216 30.007 29.762 0.047 0.000 1.368 392 H HN 0.681 nan 8.280 nan 0.000 0.495 393 E N -0.013 120.201 120.200 0.023 0.000 2.072 393 E HA -0.115 4.237 4.350 0.003 0.000 0.191 393 E C 2.304 178.890 176.600 -0.023 0.000 0.985 393 E CA 0.842 57.215 56.400 -0.046 0.000 0.801 393 E CB -0.055 29.653 29.700 0.014 0.000 0.750 393 E HN 0.566 nan 8.360 nan 0.000 0.452 394 A N 0.846 123.675 122.820 0.015 0.000 1.968 394 A HA 0.034 4.356 4.320 0.003 0.000 0.217 394 A C 2.262 179.869 177.584 0.038 0.000 1.169 394 A CA 1.377 53.436 52.037 0.036 0.000 0.638 394 A CB -0.348 18.683 19.000 0.052 0.000 0.812 394 A HN 0.345 nan 8.150 nan 0.000 0.446 395 A N -1.067 121.759 122.820 0.011 0.000 1.897 395 A HA 0.045 4.366 4.320 0.003 0.000 0.215 395 A C 1.968 179.479 177.584 -0.123 0.000 1.181 395 A CA 1.388 53.402 52.037 -0.039 0.000 0.620 395 A CB -0.705 18.279 19.000 -0.028 0.000 0.821 395 A HN 0.551 nan 8.150 nan 0.000 0.443 396 F N 1.721 121.497 119.950 -0.289 0.000 2.065 396 F HA -0.254 4.275 4.527 0.003 0.000 0.298 396 F C 2.212 177.886 175.800 -0.210 0.000 1.112 396 F CA 2.240 60.060 58.000 -0.299 0.000 1.212 396 F CB -0.294 38.473 39.000 -0.388 0.000 0.975 396 F HN 0.231 nan 8.300 nan 0.000 0.476 397 N N 0.443 119.270 118.700 0.213 0.000 2.106 397 N HA -0.142 4.600 4.740 0.003 0.000 0.188 397 N C 2.017 177.544 175.510 0.029 0.000 1.029 397 N CA 1.445 54.574 53.050 0.132 0.000 0.848 397 N CB -0.800 37.739 38.487 0.086 0.000 1.007 397 N HN 0.399 nan 8.380 nan 0.000 0.423 398 A N 1.544 124.373 122.820 0.015 0.000 1.883 398 A HA -0.095 4.227 4.320 0.003 0.000 0.217 398 A C 2.333 179.878 177.584 -0.065 0.000 1.186 398 A CA 1.071 53.144 52.037 0.061 0.000 0.624 398 A CB -0.689 18.432 19.000 0.203 0.000 0.822 398 A HN 0.210 nan 8.150 nan 0.000 0.444 399 I N -0.495 119.842 120.570 -0.389 0.000 2.286 399 I HA -0.218 3.954 4.170 0.003 0.000 0.245 399 I C 2.957 178.889 176.117 -0.309 0.000 1.104 399 I CA 0.887 61.842 61.300 -0.575 0.000 1.397 399 I CB -0.333 37.221 38.000 -0.743 0.000 1.072 399 I HN 0.356 nan 8.210 nan 0.000 0.417 400 A N 0.609 123.263 122.820 -0.276 0.000 1.902 400 A HA -0.240 4.081 4.320 0.003 0.000 0.217 400 A C 1.952 179.478 177.584 -0.098 0.000 1.181 400 A CA 2.058 53.971 52.037 -0.207 0.000 0.623 400 A CB -0.558 18.355 19.000 -0.144 0.000 0.818 400 A HN 0.337 nan 8.150 nan 0.000 0.443 401 D N -0.504 119.872 120.400 -0.040 0.000 2.117 401 D HA -0.126 4.515 4.640 0.003 0.000 0.198 401 D C 1.931 178.241 176.300 0.017 0.000 0.982 401 D CA 1.642 55.645 54.000 0.004 0.000 0.828 401 D CB -0.183 40.639 40.800 0.036 0.000 0.967 401 D HN 0.433 nan 8.370 nan 0.000 0.464 402 K N 1.030 121.458 120.400 0.046 0.000 2.002 402 K HA -0.055 4.267 4.320 0.003 0.000 0.209 402 K C 2.188 178.807 176.600 0.032 0.000 1.048 402 K CA 0.900 57.243 56.287 0.094 0.000 0.930 402 K CB -0.585 32.069 32.500 0.257 0.000 0.714 402 K HN 0.089 nan 8.250 nan 0.000 0.438 403 L N 0.269 121.472 121.223 -0.034 0.000 2.083 403 L HA -0.183 4.159 4.340 0.003 0.000 0.209 403 L C 2.251 179.078 176.870 -0.073 0.000 1.083 403 L CA 1.717 56.505 54.840 -0.086 0.000 0.752 403 L CB -0.770 41.164 42.059 -0.208 0.000 0.899 403 L HN 0.291 nan 8.230 nan 0.000 0.433 404 T N -0.062 114.456 114.554 -0.060 0.000 2.708 404 T HA -0.162 4.190 4.350 0.003 0.000 0.266 404 T C 2.065 176.754 174.700 -0.019 0.000 1.037 404 T CA 1.342 63.418 62.100 -0.039 0.000 1.146 404 T CB -0.275 68.576 68.868 -0.028 0.000 0.865 404 T HN 0.445 nan 8.240 nan 0.000 0.435 405 A N 1.490 124.308 122.820 -0.004 0.000 1.940 405 A HA -0.081 4.241 4.320 0.003 0.000 0.219 405 A C 2.271 179.857 177.584 0.003 0.000 1.176 405 A CA 1.633 53.673 52.037 0.006 0.000 0.631 405 A CB -0.739 18.273 19.000 0.020 0.000 0.814 405 A HN 0.508 nan 8.150 nan 0.000 0.446 406 M N -1.549 118.051 119.600 0.001 0.000 2.476 406 M HA 0.114 4.596 4.480 0.003 0.000 0.262 406 M C 1.443 177.734 176.300 -0.015 0.000 1.079 406 M CA 0.922 56.220 55.300 -0.003 0.000 1.104 406 M CB -0.053 32.547 32.600 0.000 0.000 1.409 406 M HN 0.650 nan 8.290 nan 0.000 0.467 407 G N 0.063 108.848 108.800 -0.024 0.000 2.143 407 G HA2 -0.202 3.760 3.960 0.003 0.000 0.248 407 G HA3 -0.202 3.760 3.960 0.003 0.000 0.248 407 G C 0.547 175.420 174.900 -0.044 0.000 0.991 407 G CA 0.256 45.340 45.100 -0.028 0.000 0.689 407 G HN 0.357 nan 8.290 nan 0.000 0.522 408 V N -0.562 119.312 119.914 -0.067 0.000 3.565 408 V HA 0.554 4.676 4.120 0.003 0.000 0.260 408 V C 1.549 177.555 176.094 -0.147 0.000 1.231 408 V CA 1.477 63.713 62.300 -0.106 0.000 1.100 408 V CB 0.709 32.457 31.823 -0.124 0.000 0.807 408 V HN 1.047 nan 8.190 nan 0.000 0.454 409 G N -0.516 108.202 108.800 -0.137 0.000 2.672 409 G HA2 0.678 4.639 3.960 0.003 0.000 0.292 409 G HA3 0.678 4.639 3.960 0.003 0.000 0.292 409 G C -1.713 173.125 174.900 -0.103 0.000 1.375 409 G CA -0.270 44.733 45.100 -0.161 0.000 0.890 409 G HN 0.033 nan 8.290 nan 0.000 0.476 410 E N 0.043 120.191 120.200 -0.086 0.000 2.304 410 E HA 0.324 4.675 4.350 0.003 0.000 0.277 410 E C -0.457 176.132 176.600 -0.018 0.000 0.898 410 E CA -0.713 55.664 56.400 -0.038 0.000 0.764 410 E CB 1.796 31.489 29.700 -0.011 0.000 1.216 410 E HN 0.497 nan 8.360 nan 0.000 0.419 411 R N 2.764 123.263 120.500 -0.002 0.000 2.537 411 R HA 0.255 4.597 4.340 0.003 0.000 0.280 411 R C -0.087 176.263 176.300 0.084 0.000 1.058 411 R CA 0.217 56.343 56.100 0.043 0.000 1.057 411 R CB 0.723 31.060 30.300 0.061 0.000 0.973 411 R HN 0.305 nan 8.270 nan 0.000 0.438 412 K N 0.000 120.493 120.400 0.154 0.000 2.780 412 K HA 0.000 4.322 4.320 0.003 0.000 0.191 412 K CA 0.000 56.383 56.287 0.161 0.000 0.838 412 K CB 0.000 32.625 32.500 0.208 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543