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 2c2a_1_A DATA FIRST_RESID 232 DATA SEQUENCE MENVTESKEL ERLKRIDRMK TEFIANISHE LRTPLTAIKA YAETIYNSLG DATA SEQUENCE ELDLSTLKEF LEVIIDQSNH LENLLNELLD FSRLERKSLQ INREKVDLcD DATA SEQUENCE LVESAVNAIK EFASSHNVNV LFESNVPcPV EAYIDPTRIR QVLLNLLNNG DATA SEQUENCE VKYSKKDAPD KYVKVILDEK DGGVLIIVED NGIGIPDHAK DRIFEQFYRV DATA SEQUENCE DXXXXXXXXX TGLGLAITKE IVELHGGRIW VESEVGKGSR FFVWIPKDRA 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 232 M HA 0.000 nan 4.480 nan 0.000 0.227 232 M C 0.000 176.302 176.300 0.003 0.000 1.140 232 M CA 0.000 55.301 55.300 0.003 0.000 0.988 232 M CB 0.000 32.601 32.600 0.002 0.000 1.302 233 E N 0.487 120.689 120.200 0.003 0.000 2.357 233 E HA 0.162 4.528 4.350 0.027 0.000 0.275 233 E C -2.170 174.433 176.600 0.004 0.000 1.208 233 E CA -0.582 55.820 56.400 0.004 0.000 0.929 233 E CB 0.990 30.692 29.700 0.004 0.000 1.283 233 E HN 0.608 nan 8.360 nan 0.000 0.411 234 N N 1.795 120.497 118.700 0.005 0.000 2.501 234 N HA 0.175 4.932 4.740 0.027 0.000 0.245 234 N C 0.542 176.056 175.510 0.006 0.000 0.974 234 N CA 0.047 53.100 53.050 0.005 0.000 0.941 234 N CB 1.608 40.098 38.487 0.005 0.000 1.122 234 N HN 0.278 nan 8.380 nan 0.000 0.507 235 V N 3.241 123.159 119.914 0.006 0.000 2.407 235 V HA -0.203 3.933 4.120 0.027 0.000 0.248 235 V C 2.035 178.135 176.094 0.009 0.000 1.055 235 V CA 1.902 64.206 62.300 0.007 0.000 1.049 235 V CB -0.521 31.306 31.823 0.007 0.000 0.662 235 V HN 0.674 nan 8.190 nan 0.000 0.455 236 T N -0.783 113.776 114.554 0.009 0.000 2.708 236 T HA -0.231 4.135 4.350 0.027 0.000 0.266 236 T C 1.845 176.552 174.700 0.012 0.000 1.037 236 T CA 1.707 63.813 62.100 0.010 0.000 1.146 236 T CB -0.210 68.664 68.868 0.009 0.000 0.865 236 T HN 0.544 nan 8.240 nan 0.000 0.435 237 E N 0.617 120.823 120.200 0.010 0.000 2.058 237 E HA -0.120 4.247 4.350 0.027 0.000 0.194 237 E C 2.527 179.134 176.600 0.012 0.000 0.997 237 E CA 1.222 57.628 56.400 0.010 0.000 0.801 237 E CB -0.037 29.668 29.700 0.008 0.000 0.746 237 E HN 0.315 nan 8.360 nan 0.000 0.450 238 S N 0.290 115.997 115.700 0.011 0.000 2.368 238 S HA -0.137 4.350 4.470 0.027 0.000 0.225 238 S C 1.739 176.347 174.600 0.015 0.000 1.030 238 S CA 1.007 59.214 58.200 0.012 0.000 0.999 238 S CB -0.062 63.144 63.200 0.010 0.000 0.844 238 S HN 0.177 nan 8.310 nan 0.000 0.459 239 K N 0.915 121.325 120.400 0.016 0.000 2.057 239 K HA -0.124 4.212 4.320 0.027 0.000 0.207 239 K C 2.307 178.922 176.600 0.024 0.000 1.049 239 K CA 1.302 57.601 56.287 0.020 0.000 0.931 239 K CB -0.109 32.404 32.500 0.021 0.000 0.714 239 K HN 0.445 nan 8.250 nan 0.000 0.440 240 E N 0.982 121.195 120.200 0.022 0.000 2.031 240 E HA -0.229 4.137 4.350 0.027 0.000 0.193 240 E C 2.048 178.662 176.600 0.025 0.000 0.994 240 E CA 0.972 57.387 56.400 0.025 0.000 0.800 240 E CB -0.056 29.656 29.700 0.020 0.000 0.752 240 E HN 0.106 nan 8.360 nan 0.000 0.447 241 L N 1.683 122.918 121.223 0.020 0.000 1.990 241 L HA -0.228 4.128 4.340 0.027 0.000 0.213 241 L C 2.335 179.217 176.870 0.020 0.000 1.072 241 L CA 2.444 57.295 54.840 0.018 0.000 0.755 241 L CB -0.749 41.319 42.059 0.015 0.000 0.889 241 L HN 0.199 nan 8.230 nan 0.000 0.432 242 E N -0.401 119.810 120.200 0.020 0.000 2.110 242 E HA -0.256 4.111 4.350 0.027 0.000 0.193 242 E C 2.347 178.962 176.600 0.025 0.000 0.988 242 E CA 1.205 57.617 56.400 0.019 0.000 0.804 242 E CB -0.216 29.495 29.700 0.018 0.000 0.745 242 E HN 0.370 nan 8.360 nan 0.000 0.458 243 R N -0.261 120.259 120.500 0.033 0.000 2.081 243 R HA -0.048 4.308 4.340 0.027 0.000 0.235 243 R C 2.224 178.552 176.300 0.047 0.000 1.131 243 R CA 1.227 57.355 56.100 0.045 0.000 0.960 243 R CB -0.865 29.466 30.300 0.052 0.000 0.856 243 R HN 0.344 nan 8.270 nan 0.000 0.436 244 L N 0.905 122.152 121.223 0.040 0.000 2.093 244 L HA -0.085 4.271 4.340 0.027 0.000 0.208 244 L C 1.488 178.378 176.870 0.034 0.000 1.085 244 L CA 1.889 56.753 54.840 0.040 0.000 0.755 244 L CB -0.342 41.737 42.059 0.033 0.000 0.904 244 L HN 0.117 nan 8.230 nan 0.000 0.435 245 K N -0.488 119.926 120.400 0.024 0.000 2.148 245 K HA -0.164 4.172 4.320 0.027 0.000 0.204 245 K C 2.126 178.729 176.600 0.006 0.000 1.050 245 K CA 1.477 57.774 56.287 0.016 0.000 0.942 245 K CB -0.209 32.298 32.500 0.012 0.000 0.724 245 K HN 0.462 nan 8.250 nan 0.000 0.446 246 R N 1.242 121.746 120.500 0.007 0.000 2.119 246 R HA -0.019 4.337 4.340 0.027 0.000 0.222 246 R C 2.031 178.310 176.300 -0.035 0.000 1.088 246 R CA 0.993 57.085 56.100 -0.012 0.000 0.984 246 R CB -0.383 29.917 30.300 -0.000 0.000 0.884 246 R HN 0.070 nan 8.270 nan 0.000 0.447 247 I N 1.877 122.451 120.570 0.007 0.000 2.202 247 I HA -0.230 3.956 4.170 0.027 0.000 0.242 247 I C 1.516 177.631 176.117 -0.004 0.000 1.091 247 I CA 1.410 62.725 61.300 0.025 0.000 1.368 247 I CB -0.325 37.747 38.000 0.121 0.000 1.058 247 I HN 0.170 nan 8.210 nan 0.000 0.410 248 D N 0.670 121.085 120.400 0.025 0.000 2.182 248 D HA -0.149 4.507 4.640 0.027 0.000 0.201 248 D C 2.323 178.622 176.300 -0.003 0.000 0.986 248 D CA 1.055 55.076 54.000 0.036 0.000 0.847 248 D CB -0.168 40.655 40.800 0.038 0.000 0.942 248 D HN 0.274 nan 8.370 nan 0.000 0.467 249 R N -0.333 120.142 120.500 -0.041 0.000 2.075 249 R HA 0.020 4.376 4.340 0.027 0.000 0.232 249 R C 2.429 178.656 176.300 -0.122 0.000 1.126 249 R CA 0.910 56.973 56.100 -0.061 0.000 0.963 249 R CB -0.164 30.099 30.300 -0.062 0.000 0.858 249 R HN 0.227 nan 8.270 nan 0.000 0.435 250 M N 0.354 119.805 119.600 -0.249 0.000 2.175 250 M HA -0.147 4.350 4.480 0.027 0.000 0.264 250 M C 1.992 178.072 176.300 -0.366 0.000 1.063 250 M CA 1.648 56.641 55.300 -0.512 0.000 1.119 250 M CB -0.066 31.867 32.600 -1.112 0.000 1.377 250 M HN 0.021 nan 8.290 nan 0.000 0.415 251 K N -0.584 119.756 120.400 -0.101 0.000 2.097 251 K HA -0.088 4.248 4.320 0.027 0.000 0.206 251 K C 1.942 178.645 176.600 0.172 0.000 1.049 251 K CA 1.585 58.039 56.287 0.279 0.000 0.933 251 K CB -0.322 32.426 32.500 0.415 0.000 0.717 251 K HN 0.294 nan 8.250 nan 0.000 0.442 252 T N 1.475 116.071 114.554 0.071 0.000 2.746 252 T HA -0.111 4.255 4.350 0.027 0.000 0.267 252 T C 1.584 176.279 174.700 -0.008 0.000 1.039 252 T CA 1.215 63.335 62.100 0.033 0.000 1.142 252 T CB -0.067 68.805 68.868 0.008 0.000 0.866 252 T HN 0.182 nan 8.240 nan 0.000 0.444 253 E N 0.476 120.660 120.200 -0.028 0.000 2.150 253 E HA -0.006 4.360 4.350 0.027 0.000 0.193 253 E C 1.803 178.371 176.600 -0.053 0.000 0.985 253 E CA 0.522 56.888 56.400 -0.057 0.000 0.814 253 E CB -0.429 29.233 29.700 -0.065 0.000 0.752 253 E HN 0.550 nan 8.360 nan 0.000 0.466 254 F N 1.500 121.372 119.950 -0.130 0.000 2.075 254 F HA -0.183 4.361 4.527 0.029 0.000 0.297 254 F C 2.026 177.666 175.800 -0.267 0.000 1.113 254 F CA 1.063 58.967 58.000 -0.160 0.000 1.218 254 F CB -0.093 38.823 39.000 -0.141 0.000 0.984 254 F HN -0.101 nan 8.300 nan 0.000 0.472 255 I N 0.934 121.491 120.570 -0.022 0.000 2.286 255 I HA -0.266 3.920 4.170 0.027 0.000 0.248 255 I C 2.718 178.702 176.117 -0.222 0.000 1.115 255 I CA 1.466 62.697 61.300 -0.114 0.000 1.392 255 I CB -2.085 35.913 38.000 -0.004 0.000 1.065 255 I HN 0.298 nan 8.210 nan 0.000 0.418 256 A N 0.852 123.534 122.820 -0.229 0.000 1.902 256 A HA -0.260 4.076 4.320 0.027 0.000 0.217 256 A C 2.168 179.404 177.584 -0.579 0.000 1.181 256 A CA 2.163 53.984 52.037 -0.361 0.000 0.623 256 A CB -0.903 17.928 19.000 -0.281 0.000 0.818 256 A HN 0.483 nan 8.150 nan 0.000 0.443 257 N N -0.182 118.256 118.700 -0.436 0.000 2.142 257 N HA -0.085 4.672 4.740 0.027 0.000 0.186 257 N C 1.534 176.833 175.510 -0.352 0.000 1.023 257 N CA 1.624 54.446 53.050 -0.379 0.000 0.852 257 N CB -0.338 37.968 38.487 -0.302 0.000 0.998 257 N HN 0.480 nan 8.380 nan 0.000 0.424 258 I N -0.291 120.002 120.570 -0.462 0.000 2.394 258 I HA -0.192 3.995 4.170 0.027 0.000 0.251 258 I C 1.648 177.637 176.117 -0.213 0.000 1.136 258 I CA 0.717 61.791 61.300 -0.375 0.000 1.425 258 I CB -0.121 37.577 38.000 -0.503 0.000 1.079 258 I HN 0.126 nan 8.210 nan 0.000 0.425 259 S N -0.194 115.382 115.700 -0.208 0.000 2.370 259 S HA -0.254 4.232 4.470 0.027 0.000 0.226 259 S C 1.735 176.355 174.600 0.032 0.000 1.033 259 S CA 1.562 59.708 58.200 -0.090 0.000 1.011 259 S CB -0.585 62.561 63.200 -0.090 0.000 0.852 259 S HN 0.634 nan 8.310 nan 0.000 0.457 260 H N 0.635 119.653 119.070 -0.087 0.000 2.357 260 H HA 0.027 4.601 4.556 0.030 0.000 0.301 260 H C 2.270 177.562 175.328 -0.061 0.000 1.082 260 H CA 1.067 57.077 56.048 -0.064 0.000 1.342 260 H CB 0.014 29.739 29.762 -0.061 0.000 1.389 260 H HN 0.448 nan 8.280 nan 0.000 0.511 261 E N 0.861 121.089 120.200 0.048 0.000 2.153 261 E HA -0.133 4.234 4.350 0.027 0.000 0.194 261 E C 2.040 178.618 176.600 -0.036 0.000 0.988 261 E CA 0.463 56.867 56.400 0.005 0.000 0.811 261 E CB 0.046 29.723 29.700 -0.038 0.000 0.746 261 E HN 0.446 nan 8.360 nan 0.000 0.466 262 L N 0.570 121.755 121.223 -0.064 0.000 2.353 262 L HA -0.153 4.203 4.340 0.027 0.000 0.220 262 L C 2.500 179.347 176.870 -0.039 0.000 1.133 262 L CA 0.520 55.310 54.840 -0.084 0.000 0.798 262 L CB -0.173 41.844 42.059 -0.070 0.000 0.922 262 L HN 0.014 nan 8.230 nan 0.000 0.445 263 R N -0.075 120.422 120.500 -0.005 0.000 2.075 263 R HA -0.115 4.242 4.340 0.027 0.000 0.232 263 R C 2.210 178.515 176.300 0.010 0.000 1.126 263 R CA 1.963 58.065 56.100 0.003 0.000 0.963 263 R CB -0.773 29.529 30.300 0.003 0.000 0.858 263 R HN 0.145 nan 8.270 nan 0.000 0.435 264 T N 1.368 115.936 114.554 0.024 0.000 2.607 264 T HA -0.101 4.265 4.350 0.027 0.000 0.267 264 T C -1.093 173.635 174.700 0.047 0.000 1.049 264 T CA 1.991 64.116 62.100 0.042 0.000 1.162 264 T CB -0.908 68.003 68.868 0.072 0.000 0.863 264 T HN 0.293 nan 8.240 nan 0.000 0.424 265 P HA -0.009 nan 4.420 nan 0.000 0.214 265 P C 1.600 178.911 177.300 0.018 0.000 1.162 265 P CA 0.563 63.693 63.100 0.049 0.000 0.879 265 P CB -0.189 31.524 31.700 0.022 0.000 0.786 266 L N -1.169 120.057 121.223 0.005 0.000 2.349 266 L HA -0.123 4.234 4.340 0.027 0.000 0.220 266 L C 1.809 178.691 176.870 0.021 0.000 1.130 266 L CA 1.975 56.820 54.840 0.008 0.000 0.791 266 L CB -1.346 40.713 42.059 -0.000 0.000 0.918 266 L HN -0.029 nan 8.230 nan 0.000 0.444 267 T N -1.125 113.444 114.554 0.025 0.000 2.814 267 T HA 0.022 4.389 4.350 0.027 0.000 0.254 267 T C 1.883 176.619 174.700 0.059 0.000 1.037 267 T CA 0.955 63.076 62.100 0.036 0.000 1.143 267 T CB -0.296 68.590 68.868 0.030 0.000 0.866 267 T HN 0.440 nan 8.240 nan 0.000 0.431 268 A N 1.132 123.978 122.820 0.044 0.000 1.933 268 A HA -0.012 4.325 4.320 0.027 0.000 0.218 268 A C 2.259 179.870 177.584 0.046 0.000 1.175 268 A CA 1.149 53.204 52.037 0.030 0.000 0.628 268 A CB -0.844 18.115 19.000 -0.068 0.000 0.814 268 A HN 0.502 nan 8.150 nan 0.000 0.444 269 I N -0.800 119.794 120.570 0.040 0.000 2.113 269 I HA -0.270 3.917 4.170 0.027 0.000 0.238 269 I C 2.642 178.830 176.117 0.118 0.000 1.070 269 I CA 1.672 63.014 61.300 0.070 0.000 1.332 269 I CB -0.309 37.719 38.000 0.046 0.000 1.044 269 I HN 0.302 nan 8.210 nan 0.000 0.402 270 K N 0.796 121.247 120.400 0.085 0.000 2.009 270 K HA -0.222 4.114 4.320 0.027 0.000 0.210 270 K C 2.233 178.889 176.600 0.093 0.000 1.049 270 K CA 1.686 58.017 56.287 0.073 0.000 0.929 270 K CB -0.289 32.237 32.500 0.043 0.000 0.714 270 K HN 0.313 nan 8.250 nan 0.000 0.440 271 A N 0.754 123.646 122.820 0.119 0.000 1.869 271 A HA -0.216 4.120 4.320 0.027 0.000 0.218 271 A C 1.698 179.340 177.584 0.097 0.000 1.203 271 A CA 1.736 53.844 52.037 0.120 0.000 0.638 271 A CB -1.103 18.002 19.000 0.176 0.000 0.831 271 A HN 0.407 nan 8.150 nan 0.000 0.450 272 Y N -0.582 119.687 120.300 -0.052 0.000 2.542 272 Y HA 0.274 4.841 4.550 0.027 0.000 0.326 272 Y C 1.912 177.662 175.900 -0.250 0.000 1.218 272 Y CA 0.054 58.045 58.100 -0.183 0.000 1.277 272 Y CB -0.528 37.946 38.460 0.023 0.000 1.064 272 Y HN 0.415 nan 8.280 nan 0.000 0.499 273 A N -1.179 121.659 122.820 0.030 0.000 1.865 273 A HA 0.098 4.435 4.320 0.027 0.000 0.204 273 A C 1.841 179.448 177.584 0.038 0.000 1.791 273 A CA 0.050 52.120 52.037 0.056 0.000 1.067 273 A CB 0.003 19.082 19.000 0.132 0.000 1.069 273 A HN 0.184 nan 8.150 nan 0.000 0.556 274 E N 0.090 120.308 120.200 0.031 0.000 2.204 274 E HA -0.120 4.246 4.350 0.027 0.000 0.195 274 E C 1.710 178.341 176.600 0.052 0.000 0.990 274 E CA 1.530 57.954 56.400 0.040 0.000 0.821 274 E CB -0.021 29.687 29.700 0.014 0.000 0.750 274 E HN 0.595 nan 8.360 nan 0.000 0.477 275 T N 1.409 115.954 114.554 -0.015 0.000 2.701 275 T HA -0.127 4.240 4.350 0.027 0.000 0.263 275 T C 1.888 176.552 174.700 -0.060 0.000 1.040 275 T CA 0.742 62.808 62.100 -0.057 0.000 1.147 275 T CB -0.056 68.730 68.868 -0.137 0.000 0.865 275 T HN 0.099 nan 8.240 nan 0.000 0.426 276 I N 0.700 121.204 120.570 -0.110 0.000 2.087 276 I HA -0.229 3.957 4.170 0.027 0.000 0.240 276 I C 2.251 178.375 176.117 0.012 0.000 1.054 276 I CA 1.889 63.126 61.300 -0.105 0.000 1.311 276 I CB -1.255 36.646 38.000 -0.166 0.000 1.024 276 I HN 0.316 nan 8.210 nan 0.000 0.402 277 Y N 2.477 122.753 120.300 -0.039 0.000 2.151 277 Y HA -0.283 4.283 4.550 0.028 0.000 0.284 277 Y C 2.444 178.332 175.900 -0.019 0.000 1.166 277 Y CA 2.024 60.118 58.100 -0.011 0.000 1.163 277 Y CB -0.412 38.049 38.460 0.001 0.000 0.974 277 Y HN 0.255 nan 8.280 nan 0.000 0.511 278 N N -0.394 118.338 118.700 0.054 0.000 2.396 278 N HA -0.107 4.649 4.740 0.027 0.000 0.180 278 N C 1.454 176.902 175.510 -0.103 0.000 1.028 278 N CA 1.338 54.361 53.050 -0.046 0.000 0.893 278 N CB -0.213 38.308 38.487 0.057 0.000 0.967 278 N HN 0.467 nan 8.380 nan 0.000 0.440 279 S N 0.012 115.659 115.700 -0.088 0.000 2.582 279 S HA 0.130 4.617 4.470 0.027 0.000 0.234 279 S C 1.605 176.149 174.600 -0.094 0.000 0.961 279 S CA -0.396 57.753 58.200 -0.085 0.000 0.953 279 S CB 0.065 63.219 63.200 -0.077 0.000 0.800 279 S HN -0.004 nan 8.310 nan 0.000 0.471 280 L N 2.956 124.098 121.223 -0.135 0.000 2.010 280 L HA -0.022 4.334 4.340 0.027 0.000 0.219 280 L C 2.404 179.222 176.870 -0.088 0.000 1.077 280 L CA 2.382 57.147 54.840 -0.125 0.000 0.773 280 L CB -1.336 40.590 42.059 -0.222 0.000 0.892 280 L HN 0.528 nan 8.230 nan 0.000 0.436 281 G N -1.574 107.169 108.800 -0.095 0.000 2.708 281 G HA2 -0.112 3.864 3.960 0.027 0.000 0.210 281 G HA3 -0.112 3.864 3.960 0.027 0.000 0.210 281 G C 0.706 175.577 174.900 -0.048 0.000 1.141 281 G CA 0.605 45.666 45.100 -0.065 0.000 0.788 281 G HN 0.557 nan 8.290 nan 0.000 0.531 282 E N -0.093 120.078 120.200 -0.048 0.000 2.968 282 E HA 0.174 4.541 4.350 0.027 0.000 0.202 282 E C -0.280 176.300 176.600 -0.032 0.000 0.979 282 E CA -0.380 55.997 56.400 -0.038 0.000 1.192 282 E CB 0.148 29.824 29.700 -0.040 0.000 1.059 282 E HN 0.431 nan 8.360 nan 0.000 0.470 283 L N -0.522 120.685 121.223 -0.027 0.000 2.341 283 L HA 0.549 4.905 4.340 0.027 0.000 0.278 283 L C -0.163 176.709 176.870 0.002 0.000 1.005 283 L CA -1.037 53.794 54.840 -0.016 0.000 0.818 283 L CB 1.320 43.368 42.059 -0.018 0.000 1.259 283 L HN -0.182 nan 8.230 nan 0.000 0.418 284 D N 3.316 123.719 120.400 0.006 0.000 2.339 284 D HA 0.186 4.842 4.640 0.027 0.000 0.245 284 D C -0.290 176.031 176.300 0.035 0.000 1.115 284 D CA -0.361 53.649 54.000 0.016 0.000 0.917 284 D CB 2.017 42.824 40.800 0.012 0.000 1.192 284 D HN 0.642 nan 8.370 nan 0.000 0.428 285 L N 1.556 122.803 121.223 0.039 0.000 2.556 285 L HA 0.121 4.477 4.340 0.027 0.000 0.245 285 L C 1.045 177.948 176.870 0.056 0.000 1.174 285 L CA -0.297 54.578 54.840 0.058 0.000 1.117 285 L CB 0.334 42.423 42.059 0.050 0.000 1.409 285 L HN 0.505 nan 8.230 nan 0.000 0.411 286 S N -0.736 115.004 115.700 0.066 0.000 2.918 286 S HA 0.001 4.487 4.470 0.027 0.000 0.264 286 S C 1.080 175.740 174.600 0.100 0.000 1.078 286 S CA -0.001 58.237 58.200 0.063 0.000 0.918 286 S CB 0.520 63.745 63.200 0.043 0.000 0.882 286 S HN 0.351 nan 8.310 nan 0.000 0.466 287 T N 2.660 117.277 114.554 0.105 0.000 4.099 287 T HA 0.478 4.844 4.350 0.027 0.000 0.223 287 T C 0.355 175.246 174.700 0.319 0.000 0.968 287 T CA 0.196 62.377 62.100 0.136 0.000 0.966 287 T CB -0.358 68.532 68.868 0.035 0.000 1.328 287 T HN 0.378 nan 8.240 nan 0.000 0.783 288 L N -0.628 120.795 121.223 0.334 0.000 1.719 288 L HA 0.275 4.632 4.340 0.027 0.000 0.119 288 L C 2.094 178.962 176.870 -0.004 0.000 1.421 288 L CA -0.113 54.910 54.840 0.305 0.000 1.093 288 L CB -0.049 42.107 42.059 0.162 0.000 2.237 288 L HN 0.064 nan 8.230 nan 0.000 0.465 289 K N 0.858 121.263 120.400 0.008 0.000 2.063 289 K HA -0.191 4.145 4.320 0.027 0.000 0.208 289 K C 1.528 178.115 176.600 -0.022 0.000 1.048 289 K CA 2.028 58.292 56.287 -0.039 0.000 0.928 289 K CB 0.126 32.621 32.500 -0.009 0.000 0.713 289 K HN 0.334 nan 8.250 nan 0.000 0.442 290 E N -0.237 119.997 120.200 0.058 0.000 2.046 290 E HA -0.168 4.199 4.350 0.027 0.000 0.190 290 E C 1.913 178.609 176.600 0.161 0.000 0.982 290 E CA 1.306 57.761 56.400 0.093 0.000 0.800 290 E CB -0.261 29.512 29.700 0.122 0.000 0.756 290 E HN 0.452 nan 8.360 nan 0.000 0.449 291 F N 1.362 121.395 119.950 0.137 0.000 2.102 291 F HA -0.209 4.334 4.527 0.027 0.000 0.298 291 F C 1.983 177.878 175.800 0.158 0.000 1.105 291 F CA 0.606 58.758 58.000 0.254 0.000 1.239 291 F CB -0.128 39.025 39.000 0.256 0.000 0.991 291 F HN -0.073 nan 8.300 nan 0.000 0.474 292 L N 1.503 122.273 121.223 -0.756 0.000 2.081 292 L HA -0.223 4.133 4.340 0.027 0.000 0.212 292 L C 2.366 179.083 176.870 -0.255 0.000 1.080 292 L CA 1.783 56.193 54.840 -0.716 0.000 0.754 292 L CB -1.325 40.404 42.059 -0.550 0.000 0.893 292 L HN 0.321 nan 8.230 nan 0.000 0.433 293 E N -1.549 118.569 120.200 -0.137 0.000 2.204 293 E HA -0.179 4.187 4.350 0.027 0.000 0.195 293 E C 2.230 178.793 176.600 -0.061 0.000 0.990 293 E CA 0.977 57.334 56.400 -0.071 0.000 0.821 293 E CB -0.028 29.651 29.700 -0.034 0.000 0.750 293 E HN 0.303 nan 8.360 nan 0.000 0.477 294 V N 1.205 121.089 119.914 -0.050 0.000 2.270 294 V HA -0.241 3.896 4.120 0.027 0.000 0.245 294 V C 2.186 178.196 176.094 -0.140 0.000 1.043 294 V CA 1.432 63.644 62.300 -0.145 0.000 1.014 294 V CB -0.290 31.310 31.823 -0.373 0.000 0.645 294 V HN 0.296 nan 8.190 nan 0.000 0.447 295 I N -0.383 120.150 120.570 -0.061 0.000 2.264 295 I HA -0.286 3.900 4.170 0.027 0.000 0.248 295 I C 2.251 178.350 176.117 -0.030 0.000 1.111 295 I CA 1.841 63.134 61.300 -0.013 0.000 1.382 295 I CB -0.269 37.771 38.000 0.067 0.000 1.060 295 I HN 0.284 nan 8.210 nan 0.000 0.418 296 I N 0.392 120.933 120.570 -0.049 0.000 2.286 296 I HA -0.275 3.911 4.170 0.027 0.000 0.245 296 I C 2.200 178.301 176.117 -0.027 0.000 1.104 296 I CA 1.422 62.699 61.300 -0.038 0.000 1.397 296 I CB -0.297 37.673 38.000 -0.049 0.000 1.072 296 I HN 0.202 nan 8.210 nan 0.000 0.417 297 D N 0.148 120.525 120.400 -0.038 0.000 2.097 297 D HA -0.203 4.454 4.640 0.027 0.000 0.197 297 D C 2.233 178.532 176.300 -0.002 0.000 0.984 297 D CA 1.251 55.234 54.000 -0.028 0.000 0.826 297 D CB 0.147 40.918 40.800 -0.048 0.000 0.973 297 D HN 0.099 nan 8.370 nan 0.000 0.460 298 Q N 0.079 119.869 119.800 -0.017 0.000 2.050 298 Q HA -0.069 4.287 4.340 0.027 0.000 0.202 298 Q C 2.444 178.472 176.000 0.046 0.000 0.980 298 Q CA 1.005 56.823 55.803 0.024 0.000 0.840 298 Q CB -0.658 28.065 28.738 -0.026 0.000 0.898 298 Q HN 0.229 nan 8.270 nan 0.000 0.424 299 S N 1.227 116.934 115.700 0.013 0.000 2.383 299 S HA -0.124 4.362 4.470 0.027 0.000 0.229 299 S C 1.639 176.245 174.600 0.010 0.000 1.030 299 S CA 1.211 59.415 58.200 0.006 0.000 1.002 299 S CB -0.309 62.890 63.200 -0.001 0.000 0.829 299 S HN 0.469 nan 8.310 nan 0.000 0.467 300 N N -0.243 118.471 118.700 0.023 0.000 2.309 300 N HA -0.142 4.614 4.740 0.027 0.000 0.182 300 N C 1.703 177.252 175.510 0.065 0.000 1.018 300 N CA 0.882 53.949 53.050 0.028 0.000 0.876 300 N CB -0.109 38.391 38.487 0.021 0.000 0.972 300 N HN 0.412 nan 8.380 nan 0.000 0.434 301 H N 1.350 120.402 119.070 -0.029 0.000 2.372 301 H HA 0.098 4.671 4.556 0.028 0.000 0.301 301 H C 2.022 177.335 175.328 -0.025 0.000 1.065 301 H CA 0.851 56.881 56.048 -0.030 0.000 1.364 301 H CB -0.315 29.426 29.762 -0.035 0.000 1.406 301 H HN 0.095 nan 8.280 nan 0.000 0.521 302 L N 0.267 121.395 121.223 -0.160 0.000 2.093 302 L HA -0.113 4.244 4.340 0.027 0.000 0.208 302 L C 2.521 179.313 176.870 -0.130 0.000 1.085 302 L CA 1.871 56.589 54.840 -0.204 0.000 0.755 302 L CB -0.387 41.613 42.059 -0.099 0.000 0.904 302 L HN 0.475 nan 8.230 nan 0.000 0.435 303 E N -0.287 119.874 120.200 -0.065 0.000 2.077 303 E HA -0.265 4.101 4.350 0.027 0.000 0.193 303 E C 1.749 178.328 176.600 -0.034 0.000 0.989 303 E CA 1.485 57.863 56.400 -0.036 0.000 0.800 303 E CB -0.017 29.674 29.700 -0.015 0.000 0.746 303 E HN 0.531 nan 8.360 nan 0.000 0.452 304 N N 0.632 119.312 118.700 -0.032 0.000 2.120 304 N HA -0.138 4.618 4.740 0.027 0.000 0.188 304 N C 2.073 177.560 175.510 -0.038 0.000 1.024 304 N CA 0.985 54.027 53.050 -0.013 0.000 0.852 304 N CB -0.247 38.258 38.487 0.028 0.000 1.003 304 N HN 0.263 nan 8.380 nan 0.000 0.424 305 L N 0.304 121.459 121.223 -0.113 0.000 2.027 305 L HA -0.129 4.227 4.340 0.027 0.000 0.206 305 L C 2.260 179.095 176.870 -0.059 0.000 1.074 305 L CA 0.608 55.374 54.840 -0.123 0.000 0.745 305 L CB -0.453 41.462 42.059 -0.240 0.000 0.898 305 L HN 0.123 nan 8.230 nan 0.000 0.433 306 L N 0.251 121.442 121.223 -0.054 0.000 2.127 306 L HA -0.189 4.168 4.340 0.027 0.000 0.211 306 L C 2.133 179.016 176.870 0.021 0.000 1.089 306 L CA 1.699 56.531 54.840 -0.014 0.000 0.757 306 L CB -0.791 41.258 42.059 -0.017 0.000 0.899 306 L HN 0.254 nan 8.230 nan 0.000 0.434 307 N N -0.177 118.533 118.700 0.016 0.000 2.270 307 N HA -0.143 4.613 4.740 0.027 0.000 0.181 307 N C 1.721 177.273 175.510 0.071 0.000 1.016 307 N CA 1.289 54.360 53.050 0.035 0.000 0.870 307 N CB -0.067 38.432 38.487 0.021 0.000 0.979 307 N HN 0.535 nan 8.380 nan 0.000 0.431 308 E N 0.270 120.518 120.200 0.081 0.000 2.072 308 E HA -0.115 4.251 4.350 0.027 0.000 0.191 308 E C 1.803 178.561 176.600 0.265 0.000 0.985 308 E CA 0.488 56.982 56.400 0.156 0.000 0.801 308 E CB -0.071 29.708 29.700 0.132 0.000 0.750 308 E HN 0.108 nan 8.360 nan 0.000 0.452 309 L N 0.932 122.280 121.223 0.209 0.000 2.017 309 L HA -0.144 4.213 4.340 0.027 0.000 0.208 309 L C 2.163 179.191 176.870 0.264 0.000 1.073 309 L CA 1.380 56.383 54.840 0.272 0.000 0.745 309 L CB -0.479 41.663 42.059 0.139 0.000 0.894 309 L HN 0.137 nan 8.230 nan 0.000 0.432 310 L N -0.429 120.887 121.223 0.155 0.000 2.083 310 L HA -0.185 4.172 4.340 0.027 0.000 0.209 310 L C 2.032 178.963 176.870 0.102 0.000 1.083 310 L CA 1.813 56.720 54.840 0.112 0.000 0.752 310 L CB -0.953 41.144 42.059 0.064 0.000 0.899 310 L HN 0.305 nan 8.230 nan 0.000 0.433 311 D N -1.012 119.453 120.400 0.109 0.000 2.117 311 D HA -0.247 4.409 4.640 0.027 0.000 0.197 311 D C 2.001 178.335 176.300 0.056 0.000 0.987 311 D CA 1.512 55.553 54.000 0.069 0.000 0.829 311 D CB -0.296 40.549 40.800 0.076 0.000 0.961 311 D HN 0.420 nan 8.370 nan 0.000 0.460 312 F N 1.200 121.121 119.950 -0.047 0.000 2.095 312 F HA -0.231 4.307 4.527 0.018 0.000 0.298 312 F C 2.526 178.257 175.800 -0.115 0.000 1.104 312 F CA 1.831 59.728 58.000 -0.171 0.000 1.232 312 F CB -0.436 38.405 39.000 -0.266 0.000 0.987 312 F HN -0.118 nan 8.300 nan 0.000 0.475 313 S N 0.134 115.848 115.700 0.023 0.000 2.356 313 S HA -0.190 4.296 4.470 0.027 0.000 0.223 313 S C 2.234 176.759 174.600 -0.125 0.000 1.032 313 S CA 1.412 59.576 58.200 -0.060 0.000 1.005 313 S CB -0.382 62.875 63.200 0.094 0.000 0.867 313 S HN 0.505 nan 8.310 nan 0.000 0.449 314 R N -0.087 120.371 120.500 -0.071 0.000 2.092 314 R HA 0.013 4.370 4.340 0.027 0.000 0.231 314 R C 2.276 178.509 176.300 -0.112 0.000 1.119 314 R CA 1.350 57.408 56.100 -0.070 0.000 0.970 314 R CB -0.474 29.806 30.300 -0.035 0.000 0.864 314 R HN 0.375 nan 8.270 nan 0.000 0.440 315 L N 1.481 122.608 121.223 -0.161 0.000 2.093 315 L HA -0.125 4.231 4.340 0.027 0.000 0.208 315 L C 1.770 178.505 176.870 -0.225 0.000 1.085 315 L CA 1.781 56.512 54.840 -0.182 0.000 0.755 315 L CB -0.272 41.656 42.059 -0.217 0.000 0.904 315 L HN 0.125 nan 8.230 nan 0.000 0.435 316 E N -0.535 119.467 120.200 -0.331 0.000 2.085 316 E HA -0.230 4.136 4.350 0.027 0.000 0.194 316 E C 2.006 178.507 176.600 -0.166 0.000 0.994 316 E CA 1.379 57.598 56.400 -0.303 0.000 0.801 316 E CB -0.073 29.401 29.700 -0.377 0.000 0.743 316 E HN 0.496 nan 8.360 nan 0.000 0.453 317 R N 0.263 120.684 120.500 -0.132 0.000 2.317 317 R HA 0.089 4.446 4.340 0.027 0.000 0.208 317 R C 0.106 176.367 176.300 -0.065 0.000 0.914 317 R CA 0.025 56.077 56.100 -0.081 0.000 1.060 317 R CB 0.201 30.465 30.300 -0.060 0.000 1.015 317 R HN -0.014 nan 8.270 nan 0.000 0.498 318 K N 0.383 120.738 120.400 -0.076 0.000 3.077 318 K HA -0.154 4.182 4.320 0.027 0.000 0.264 318 K C 0.270 176.843 176.600 -0.045 0.000 1.008 318 K CA 0.854 57.107 56.287 -0.057 0.000 0.740 318 K CB -1.379 31.094 32.500 -0.046 0.000 1.273 318 K HN 0.359 nan 8.250 nan 0.000 0.477 319 S N -1.134 114.538 115.700 -0.047 0.000 2.578 319 S HA 0.159 4.645 4.470 0.027 0.000 0.231 319 S C 0.326 174.905 174.600 -0.034 0.000 0.994 319 S CA -0.710 57.468 58.200 -0.036 0.000 0.956 319 S CB 0.319 63.500 63.200 -0.031 0.000 0.870 319 S HN 0.277 nan 8.310 nan 0.000 0.494 320 L N 3.105 124.305 121.223 -0.038 0.000 2.490 320 L HA 0.323 4.679 4.340 0.027 0.000 0.274 320 L C -0.165 176.682 176.870 -0.037 0.000 1.201 320 L CA 0.913 55.733 54.840 -0.033 0.000 0.869 320 L CB 0.360 42.400 42.059 -0.032 0.000 1.123 320 L HN 0.351 nan 8.230 nan 0.000 0.484 321 Q N 5.325 125.101 119.800 -0.040 0.000 2.359 321 Q HA 0.719 5.075 4.340 0.027 0.000 0.275 321 Q C -1.014 174.942 176.000 -0.074 0.000 1.082 321 Q CA -0.864 54.905 55.803 -0.056 0.000 0.849 321 Q CB 2.576 31.285 28.738 -0.048 0.000 1.377 321 Q HN 0.736 nan 8.270 nan 0.000 0.452 322 I N -1.855 118.644 120.570 -0.118 0.000 2.785 322 I HA 0.569 4.756 4.170 0.027 0.000 0.302 322 I C -1.294 174.727 176.117 -0.161 0.000 1.069 322 I CA -1.008 60.197 61.300 -0.159 0.000 1.045 322 I CB 2.266 40.067 38.000 -0.331 0.000 1.236 322 I HN 0.479 nan 8.210 nan 0.000 0.429 323 N N 3.978 122.593 118.700 -0.142 0.000 2.626 323 N HA 0.419 5.175 4.740 0.027 0.000 0.249 323 N C -1.137 174.255 175.510 -0.197 0.000 1.021 323 N CA -0.764 52.204 53.050 -0.137 0.000 0.886 323 N CB 1.367 39.805 38.487 -0.081 0.000 1.149 323 N HN 0.481 nan 8.380 nan 0.000 0.517 324 R N 1.612 121.909 120.500 -0.338 0.000 2.531 324 R HA 0.353 4.709 4.340 0.027 0.000 0.273 324 R C 0.077 176.000 176.300 -0.628 0.000 1.070 324 R CA -0.277 55.462 56.100 -0.602 0.000 1.112 324 R CB 0.678 30.332 30.300 -1.077 0.000 1.049 324 R HN 0.632 nan 8.270 nan 0.000 0.508 325 E N 0.400 120.305 120.200 -0.493 0.000 2.437 325 E HA 0.267 4.633 4.350 0.027 0.000 0.280 325 E C -1.306 175.333 176.600 0.065 0.000 1.044 325 E CA -1.169 55.176 56.400 -0.092 0.000 0.826 325 E CB 0.979 30.664 29.700 -0.024 0.000 1.358 325 E HN 0.112 nan 8.360 nan 0.000 0.459 326 K N 1.129 121.640 120.400 0.185 0.000 2.383 326 K HA 0.310 4.647 4.320 0.027 0.000 0.286 326 K C -0.815 175.825 176.600 0.066 0.000 1.051 326 K CA -0.114 56.264 56.287 0.151 0.000 0.974 326 K CB 1.074 33.644 32.500 0.117 0.000 0.968 326 K HN 0.311 nan 8.250 nan 0.000 0.475 327 V N 2.302 122.244 119.914 0.047 0.000 2.789 327 V HA 0.065 4.202 4.120 0.027 0.000 0.311 327 V C -0.540 175.560 176.094 0.011 0.000 1.073 327 V CA -1.070 61.238 62.300 0.014 0.000 0.921 327 V CB 2.175 33.991 31.823 -0.012 0.000 1.009 327 V HN 0.659 nan 8.190 nan 0.000 0.426 328 D N 2.989 123.392 120.400 0.005 0.000 2.365 328 D HA 0.281 4.938 4.640 0.027 0.000 0.237 328 D C 0.890 177.184 176.300 -0.010 0.000 1.190 328 D CA -0.040 53.965 54.000 0.008 0.000 0.867 328 D CB 1.133 41.942 40.800 0.015 0.000 1.050 328 D HN 0.435 nan 8.370 nan 0.000 0.491 329 L N 2.774 123.990 121.223 -0.012 0.000 2.265 329 L HA -0.173 4.183 4.340 0.027 0.000 0.215 329 L C 2.147 178.981 176.870 -0.061 0.000 1.117 329 L CA 0.500 55.314 54.840 -0.043 0.000 0.782 329 L CB -0.165 41.872 42.059 -0.036 0.000 0.914 329 L HN 0.580 nan 8.230 nan 0.000 0.441 330 c N -0.275 118.339 118.600 0.023 0.000 2.432 330 c HA -0.201 4.385 4.570 0.027 0.000 0.277 330 c C 2.537 176.595 174.090 -0.054 0.000 1.249 330 c CA 1.187 57.566 56.329 0.085 0.000 1.725 330 c CB -0.742 41.902 42.510 0.224 0.000 2.028 330 c HN 0.634 nan 8.230 nan 0.000 0.477 331 D N 0.277 120.665 120.400 -0.021 0.000 2.117 331 D HA -0.145 4.512 4.640 0.027 0.000 0.197 331 D C 2.045 178.288 176.300 -0.094 0.000 0.987 331 D CA 0.909 54.886 54.000 -0.037 0.000 0.829 331 D CB -0.315 40.477 40.800 -0.013 0.000 0.961 331 D HN 0.454 nan 8.370 nan 0.000 0.460 332 L N -0.242 120.918 121.223 -0.106 0.000 2.042 332 L HA -0.157 4.199 4.340 0.027 0.000 0.210 332 L C 2.252 179.010 176.870 -0.187 0.000 1.076 332 L CA 1.059 55.827 54.840 -0.121 0.000 0.749 332 L CB -0.149 41.846 42.059 -0.108 0.000 0.893 332 L HN 0.051 nan 8.230 nan 0.000 0.432 333 V N -0.071 119.658 119.914 -0.308 0.000 2.358 333 V HA -0.256 3.880 4.120 0.027 0.000 0.246 333 V C 2.370 178.207 176.094 -0.427 0.000 1.047 333 V CA 2.023 64.044 62.300 -0.465 0.000 1.035 333 V CB -0.576 30.706 31.823 -0.902 0.000 0.658 333 V HN 0.496 nan 8.190 nan 0.000 0.452 334 E N 0.002 119.966 120.200 -0.394 0.000 2.077 334 E HA -0.220 4.146 4.350 0.027 0.000 0.193 334 E C 2.408 178.948 176.600 -0.100 0.000 0.989 334 E CA 1.544 57.837 56.400 -0.178 0.000 0.800 334 E CB -0.278 29.400 29.700 -0.037 0.000 0.746 334 E HN 0.524 nan 8.360 nan 0.000 0.452 335 S N 0.487 116.128 115.700 -0.099 0.000 2.356 335 S HA -0.173 4.313 4.470 0.027 0.000 0.223 335 S C 2.133 176.695 174.600 -0.065 0.000 1.032 335 S CA 1.206 59.368 58.200 -0.064 0.000 1.005 335 S CB -0.165 63.000 63.200 -0.059 0.000 0.867 335 S HN 0.341 nan 8.310 nan 0.000 0.449 336 A N 0.951 123.716 122.820 -0.092 0.000 1.865 336 A HA -0.046 4.290 4.320 0.027 0.000 0.217 336 A C 2.357 179.906 177.584 -0.058 0.000 1.191 336 A CA 1.953 53.943 52.037 -0.078 0.000 0.623 336 A CB -1.253 17.686 19.000 -0.103 0.000 0.826 336 A HN 0.457 nan 8.150 nan 0.000 0.444 337 V N 1.057 120.928 119.914 -0.072 0.000 2.324 337 V HA -0.315 3.822 4.120 0.027 0.000 0.250 337 V C 2.369 178.460 176.094 -0.005 0.000 1.060 337 V CA 2.259 64.541 62.300 -0.030 0.000 1.042 337 V CB -1.083 30.727 31.823 -0.021 0.000 0.650 337 V HN 0.562 nan 8.190 nan 0.000 0.450 338 N N 0.685 119.378 118.700 -0.012 0.000 2.069 338 N HA -0.152 4.604 4.740 0.027 0.000 0.191 338 N C 1.872 177.385 175.510 0.006 0.000 1.031 338 N CA 1.853 54.904 53.050 0.001 0.000 0.852 338 N CB -0.646 37.839 38.487 -0.005 0.000 1.018 338 N HN 0.501 nan 8.380 nan 0.000 0.423 339 A N 0.160 122.977 122.820 -0.004 0.000 2.070 339 A HA -0.065 4.272 4.320 0.027 0.000 0.220 339 A C 2.030 179.626 177.584 0.019 0.000 1.159 339 A CA 0.834 52.871 52.037 -0.000 0.000 0.656 339 A CB -0.327 18.664 19.000 -0.016 0.000 0.800 339 A HN 0.256 nan 8.150 nan 0.000 0.453 340 I N -1.406 119.183 120.570 0.031 0.000 3.860 340 I HA 0.133 4.319 4.170 0.027 0.000 0.319 340 I C 1.682 177.860 176.117 0.101 0.000 1.279 340 I CA 0.430 61.776 61.300 0.078 0.000 1.220 340 I CB -0.224 37.818 38.000 0.070 0.000 1.027 340 I HN 0.145 nan 8.210 nan 0.000 0.428 341 K N 0.376 120.814 120.400 0.063 0.000 2.074 341 K HA -0.235 4.102 4.320 0.027 0.000 0.209 341 K C 2.006 178.646 176.600 0.067 0.000 1.048 341 K CA 1.804 58.124 56.287 0.055 0.000 0.926 341 K CB -0.091 32.432 32.500 0.038 0.000 0.713 341 K HN 0.398 nan 8.250 nan 0.000 0.444 342 E N -0.203 120.047 120.200 0.084 0.000 2.031 342 E HA -0.196 4.170 4.350 0.027 0.000 0.193 342 E C 1.898 178.586 176.600 0.148 0.000 0.994 342 E CA 1.108 57.564 56.400 0.093 0.000 0.800 342 E CB -0.107 29.646 29.700 0.087 0.000 0.752 342 E HN 0.204 nan 8.360 nan 0.000 0.447 343 F N 1.359 121.322 119.950 0.021 0.000 2.126 343 F HA -0.186 4.358 4.527 0.028 0.000 0.299 343 F C 2.054 177.895 175.800 0.069 0.000 1.096 343 F CA 1.501 59.526 58.000 0.041 0.000 1.255 343 F CB -0.604 38.391 39.000 -0.008 0.000 0.997 343 F HN 0.010 nan 8.300 nan 0.000 0.479 344 A N -0.391 122.406 122.820 -0.038 0.000 1.858 344 A HA -0.187 4.150 4.320 0.027 0.000 0.216 344 A C 2.400 179.932 177.584 -0.085 0.000 1.190 344 A CA 2.177 54.133 52.037 -0.135 0.000 0.617 344 A CB -1.357 17.628 19.000 -0.025 0.000 0.827 344 A HN 0.430 nan 8.150 nan 0.000 0.443 345 S N 0.483 116.169 115.700 -0.022 0.000 2.370 345 S HA -0.159 4.328 4.470 0.027 0.000 0.226 345 S C 2.163 176.743 174.600 -0.032 0.000 1.033 345 S CA 1.500 59.691 58.200 -0.014 0.000 1.011 345 S CB -0.461 62.742 63.200 0.005 0.000 0.852 345 S HN 0.635 nan 8.310 nan 0.000 0.457 346 S N 0.561 116.246 115.700 -0.025 0.000 2.420 346 S HA -0.149 4.338 4.470 0.027 0.000 0.237 346 S C 1.022 175.500 174.600 -0.204 0.000 1.023 346 S CA 1.360 59.523 58.200 -0.063 0.000 0.991 346 S CB -0.280 62.939 63.200 0.031 0.000 0.792 346 S HN 0.613 nan 8.310 nan 0.000 0.488 347 H N 0.138 119.060 119.070 -0.247 0.000 2.592 347 H HA 0.353 4.926 4.556 0.027 0.000 0.279 347 H C 0.459 175.697 175.328 -0.149 0.000 1.089 347 H CA -0.498 55.414 56.048 -0.225 0.000 1.150 347 H CB -0.268 29.287 29.762 -0.346 0.000 1.575 347 H HN 0.320 nan 8.280 nan 0.000 0.547 348 N N 0.611 119.292 118.700 -0.031 0.000 2.758 348 N HA -0.167 4.589 4.740 0.027 0.000 0.248 348 N C -1.189 174.317 175.510 -0.007 0.000 1.076 348 N CA 0.008 53.046 53.050 -0.020 0.000 0.696 348 N CB -0.623 37.850 38.487 -0.023 0.000 0.979 348 N HN 0.012 nan 8.380 nan 0.000 0.550 349 V N 1.536 121.440 119.914 -0.017 0.000 2.417 349 V HA 0.352 4.489 4.120 0.027 0.000 0.291 349 V C 0.065 176.170 176.094 0.019 0.000 1.024 349 V CA -0.676 61.619 62.300 -0.008 0.000 0.861 349 V CB 1.787 33.572 31.823 -0.063 0.000 0.985 349 V HN 0.245 nan 8.190 nan 0.000 0.436 350 N N 2.609 121.349 118.700 0.067 0.000 2.456 350 N HA 0.586 5.342 4.740 0.027 0.000 0.288 350 N C -0.837 174.737 175.510 0.107 0.000 1.059 350 N CA -0.355 52.740 53.050 0.075 0.000 0.946 350 N CB 1.936 40.466 38.487 0.072 0.000 1.150 350 N HN 0.446 nan 8.380 nan 0.000 0.479 351 V N 2.993 122.955 119.914 0.080 0.000 2.417 351 V HA 0.497 4.633 4.120 0.027 0.000 0.291 351 V C -0.404 175.745 176.094 0.092 0.000 1.024 351 V CA -0.678 61.677 62.300 0.092 0.000 0.861 351 V CB 0.834 32.696 31.823 0.064 0.000 0.985 351 V HN 0.428 nan 8.190 nan 0.000 0.436 352 L N 4.872 126.164 121.223 0.114 0.000 2.301 352 L HA 0.714 5.070 4.340 0.027 0.000 0.264 352 L C -0.823 176.163 176.870 0.194 0.000 1.016 352 L CA -0.434 54.468 54.840 0.105 0.000 0.821 352 L CB 1.853 43.931 42.059 0.031 0.000 1.346 352 L HN 0.586 nan 8.230 nan 0.000 0.429 353 F N 0.527 120.472 119.950 -0.009 0.000 2.574 353 F HA 0.651 5.194 4.527 0.028 0.000 0.313 353 F C -0.977 174.813 175.800 -0.016 0.000 1.130 353 F CA -0.693 57.301 58.000 -0.010 0.000 0.936 353 F CB 1.639 40.634 39.000 -0.008 0.000 1.219 353 F HN 0.563 nan 8.300 nan 0.000 0.445 354 E N 2.781 122.821 120.200 -0.267 0.000 2.314 354 E HA 0.511 4.878 4.350 0.027 0.000 0.272 354 E C -1.651 174.711 176.600 -0.397 0.000 0.884 354 E CA -0.948 55.197 56.400 -0.426 0.000 0.753 354 E CB 2.304 31.910 29.700 -0.156 0.000 1.213 354 E HN 0.499 nan 8.360 nan 0.000 0.432 355 S N 2.014 117.468 115.700 -0.411 0.000 2.561 355 S HA 0.289 4.775 4.470 0.027 0.000 0.303 355 S C -0.209 174.333 174.600 -0.097 0.000 1.110 355 S CA -0.685 57.414 58.200 -0.167 0.000 1.034 355 S CB 0.598 63.708 63.200 -0.149 0.000 1.010 355 S HN 0.486 nan 8.310 nan 0.000 0.482 356 N N 2.608 121.291 118.700 -0.028 0.000 2.383 356 N HA 0.157 4.914 4.740 0.027 0.000 0.192 356 N C -0.529 174.980 175.510 -0.002 0.000 1.141 356 N CA 0.344 53.386 53.050 -0.014 0.000 0.851 356 N CB 0.437 38.932 38.487 0.013 0.000 0.976 356 N HN 0.345 nan 8.380 nan 0.000 0.465 357 V N 1.187 121.101 119.914 -0.001 0.000 2.841 357 V HA 0.355 4.491 4.120 0.027 0.000 0.310 357 V C -2.344 173.751 176.094 0.002 0.000 1.090 357 V CA -1.886 60.419 62.300 0.010 0.000 0.930 357 V CB 2.620 34.459 31.823 0.027 0.000 1.014 357 V HN -0.151 nan 8.190 nan 0.000 0.425 358 P HA 0.159 nan 4.420 nan 0.000 0.265 358 P C -0.541 176.770 177.300 0.017 0.000 1.193 358 P CA -0.100 63.002 63.100 0.002 0.000 0.765 358 P CB 0.219 31.921 31.700 0.003 0.000 0.823 359 c N 5.397 124.010 118.600 0.022 0.000 2.534 359 c HA 0.388 4.975 4.570 0.027 0.000 0.385 359 c C -1.281 172.830 174.090 0.034 0.000 1.264 359 c CA -0.709 55.647 56.329 0.046 0.000 2.342 359 c CB -0.354 42.198 42.510 0.070 0.000 2.564 359 c HN 0.581 nan 8.230 nan 0.000 0.603 360 P HA 0.308 nan 4.420 nan 0.000 0.277 360 P C -1.318 176.007 177.300 0.042 0.000 1.240 360 P CA -0.066 63.061 63.100 0.045 0.000 0.798 360 P CB 0.679 32.400 31.700 0.034 0.000 0.979 361 V N 2.399 122.342 119.914 0.048 0.000 2.257 361 V HA 0.153 4.290 4.120 0.027 0.000 0.269 361 V C 0.531 176.640 176.094 0.025 0.000 1.040 361 V CA -0.430 61.893 62.300 0.039 0.000 0.813 361 V CB 0.062 31.915 31.823 0.051 0.000 1.065 361 V HN 0.525 nan 8.190 nan 0.000 0.457 362 E N 3.257 123.472 120.200 0.024 0.000 2.316 362 E HA 0.635 5.001 4.350 0.027 0.000 0.275 362 E C 0.050 176.667 176.600 0.027 0.000 1.029 362 E CA -0.050 56.366 56.400 0.027 0.000 0.871 362 E CB 1.421 31.139 29.700 0.031 0.000 1.022 362 E HN 0.778 nan 8.360 nan 0.000 0.418 363 A N 3.140 125.982 122.820 0.036 0.000 2.515 363 A HA 0.286 4.623 4.320 0.027 0.000 0.298 363 A C -1.785 175.869 177.584 0.116 0.000 1.059 363 A CA -0.680 51.385 52.037 0.048 0.000 0.698 363 A CB 0.832 19.825 19.000 -0.011 0.000 1.289 363 A HN 0.638 nan 8.150 nan 0.000 0.404 364 Y N 3.849 124.147 120.300 -0.004 0.000 2.627 364 Y HA 0.540 5.106 4.550 0.028 0.000 0.347 364 Y C -0.033 175.902 175.900 0.059 0.000 1.099 364 Y CA -0.624 57.486 58.100 0.017 0.000 1.408 364 Y CB -0.292 38.174 38.460 0.011 0.000 1.247 364 Y HN 0.612 nan 8.280 nan 0.000 0.506 365 I N 0.346 120.858 120.570 -0.097 0.000 3.279 365 I HA 0.480 4.667 4.170 0.027 0.000 0.315 365 I C -1.107 174.999 176.117 -0.019 0.000 1.187 365 I CA -1.270 60.038 61.300 0.013 0.000 0.953 365 I CB 2.199 40.189 38.000 -0.017 0.000 1.279 365 I HN 0.111 nan 8.210 nan 0.000 0.465 366 D N 3.935 124.460 120.400 0.210 0.000 2.380 366 D HA 0.285 4.941 4.640 0.027 0.000 0.230 366 D C -1.768 174.551 176.300 0.031 0.000 1.154 366 D CA -2.094 51.938 54.000 0.053 0.000 0.859 366 D CB 1.703 42.536 40.800 0.055 0.000 1.045 366 D HN 0.339 nan 8.370 nan 0.000 0.495 367 P HA -0.138 nan 4.420 nan 0.000 0.215 367 P C 1.283 178.566 177.300 -0.028 0.000 1.157 367 P CA 1.131 64.213 63.100 -0.031 0.000 0.863 367 P CB 0.233 31.914 31.700 -0.031 0.000 0.787 368 T N 0.165 114.707 114.554 -0.020 0.000 2.708 368 T HA -0.099 4.268 4.350 0.027 0.000 0.266 368 T C 1.988 176.682 174.700 -0.011 0.000 1.037 368 T CA 1.164 63.254 62.100 -0.017 0.000 1.146 368 T CB -0.342 68.518 68.868 -0.014 0.000 0.865 368 T HN 0.040 nan 8.240 nan 0.000 0.435 369 R N 0.944 121.449 120.500 0.007 0.000 2.062 369 R HA 0.110 4.466 4.340 0.027 0.000 0.231 369 R C 2.415 178.714 176.300 -0.001 0.000 1.136 369 R CA 0.877 56.992 56.100 0.025 0.000 0.948 369 R CB -1.019 29.329 30.300 0.080 0.000 0.845 369 R HN 0.365 nan 8.270 nan 0.000 0.430 370 I N 0.792 121.343 120.570 -0.032 0.000 2.454 370 I HA -0.211 3.975 4.170 0.027 0.000 0.254 370 I C 2.505 178.573 176.117 -0.081 0.000 1.156 370 I CA 0.868 62.109 61.300 -0.099 0.000 1.433 370 I CB -0.634 37.259 38.000 -0.180 0.000 1.082 370 I HN 0.209 nan 8.210 nan 0.000 0.432 371 R N 1.079 121.541 120.500 -0.063 0.000 2.073 371 R HA -0.233 4.124 4.340 0.027 0.000 0.234 371 R C 2.325 178.593 176.300 -0.053 0.000 1.134 371 R CA 1.762 57.825 56.100 -0.062 0.000 0.952 371 R CB -0.286 29.983 30.300 -0.052 0.000 0.850 371 R HN 0.369 nan 8.270 nan 0.000 0.433 372 Q N 0.220 119.998 119.800 -0.038 0.000 2.077 372 Q HA -0.184 4.172 4.340 0.027 0.000 0.206 372 Q C 1.978 177.957 176.000 -0.035 0.000 0.989 372 Q CA 2.442 58.227 55.803 -0.030 0.000 0.853 372 Q CB -0.102 28.628 28.738 -0.014 0.000 0.907 372 Q HN 0.300 nan 8.270 nan 0.000 0.418 373 V N 0.922 120.814 119.914 -0.037 0.000 2.219 373 V HA -0.309 3.827 4.120 0.027 0.000 0.248 373 V C 2.373 178.431 176.094 -0.059 0.000 1.053 373 V CA 1.956 64.231 62.300 -0.040 0.000 1.009 373 V CB -0.773 31.019 31.823 -0.052 0.000 0.636 373 V HN 0.475 nan 8.190 nan 0.000 0.445 374 L N -0.726 120.454 121.223 -0.072 0.000 2.079 374 L HA -0.153 4.203 4.340 0.027 0.000 0.210 374 L C 2.146 178.970 176.870 -0.077 0.000 1.081 374 L CA 1.795 56.586 54.840 -0.082 0.000 0.752 374 L CB -0.574 41.428 42.059 -0.095 0.000 0.896 374 L HN 0.231 nan 8.230 nan 0.000 0.433 375 L N -0.682 120.501 121.223 -0.067 0.000 2.093 375 L HA -0.221 4.135 4.340 0.027 0.000 0.208 375 L C 2.436 179.266 176.870 -0.065 0.000 1.085 375 L CA 1.594 56.399 54.840 -0.060 0.000 0.755 375 L CB -0.718 41.308 42.059 -0.054 0.000 0.904 375 L HN 0.511 nan 8.230 nan 0.000 0.435 376 N N 0.368 119.026 118.700 -0.070 0.000 2.069 376 N HA -0.217 4.539 4.740 0.027 0.000 0.191 376 N C 1.952 177.387 175.510 -0.125 0.000 1.031 376 N CA 1.157 54.158 53.050 -0.081 0.000 0.852 376 N CB 0.102 38.548 38.487 -0.068 0.000 1.018 376 N HN 0.104 nan 8.380 nan 0.000 0.423 377 L N 1.618 122.748 121.223 -0.156 0.000 2.012 377 L HA -0.095 4.261 4.340 0.027 0.000 0.210 377 L C 2.431 179.208 176.870 -0.155 0.000 1.073 377 L CA 1.183 55.881 54.840 -0.237 0.000 0.748 377 L CB -1.095 40.846 42.059 -0.195 0.000 0.891 377 L HN 0.274 nan 8.230 nan 0.000 0.431 378 L N -0.766 120.405 121.223 -0.087 0.000 2.017 378 L HA -0.237 4.119 4.340 0.027 0.000 0.208 378 L C 2.432 179.301 176.870 -0.002 0.000 1.073 378 L CA 1.572 56.390 54.840 -0.037 0.000 0.745 378 L CB -0.711 41.337 42.059 -0.019 0.000 0.894 378 L HN 0.478 nan 8.230 nan 0.000 0.432 379 N N 0.818 119.521 118.700 0.005 0.000 2.094 379 N HA -0.250 4.506 4.740 0.027 0.000 0.191 379 N C 1.466 177.006 175.510 0.051 0.000 1.023 379 N CA 2.023 55.112 53.050 0.064 0.000 0.857 379 N CB -0.212 38.251 38.487 -0.040 0.000 1.013 379 N HN 0.462 nan 8.380 nan 0.000 0.426 380 N N -0.437 118.263 118.700 0.001 0.000 2.120 380 N HA -0.093 4.663 4.740 0.027 0.000 0.188 380 N C 1.860 177.427 175.510 0.095 0.000 1.024 380 N CA 0.979 54.079 53.050 0.083 0.000 0.852 380 N CB -0.336 38.144 38.487 -0.012 0.000 1.003 380 N HN 0.292 nan 8.380 nan 0.000 0.424 381 G N 0.642 109.446 108.800 0.007 0.000 2.442 381 G HA2 -0.189 3.787 3.960 0.027 0.000 0.219 381 G HA3 -0.189 3.787 3.960 0.027 0.000 0.219 381 G C 1.553 176.425 174.900 -0.047 0.000 1.141 381 G CA 0.620 45.720 45.100 -0.000 0.000 0.763 381 G HN 0.116 nan 8.290 nan 0.000 0.554 382 V N 0.442 120.309 119.914 -0.078 0.000 2.302 382 V HA -0.070 4.066 4.120 0.027 0.000 0.243 382 V C 2.708 178.606 176.094 -0.327 0.000 1.036 382 V CA 1.990 64.158 62.300 -0.219 0.000 1.020 382 V CB -0.434 31.198 31.823 -0.318 0.000 0.657 382 V HN 0.289 nan 8.190 nan 0.000 0.453 383 K N -0.629 119.592 120.400 -0.299 0.000 2.113 383 K HA -0.172 4.165 4.320 0.027 0.000 0.208 383 K C 1.341 177.555 176.600 -0.644 0.000 1.047 383 K CA 1.855 57.837 56.287 -0.508 0.000 0.928 383 K CB -0.203 31.929 32.500 -0.614 0.000 0.716 383 K HN 0.561 nan 8.250 nan 0.000 0.446 384 Y N 0.889 121.161 120.300 -0.046 0.000 2.708 384 Y HA 0.104 4.670 4.550 0.027 0.000 0.287 384 Y C 0.496 176.373 175.900 -0.038 0.000 1.145 384 Y CA -0.912 57.173 58.100 -0.025 0.000 1.249 384 Y CB 0.089 38.547 38.460 -0.003 0.000 1.152 384 Y HN -0.049 nan 8.280 nan 0.000 0.532 385 S N 0.024 115.714 115.700 -0.016 0.000 2.584 385 S HA 0.096 4.582 4.470 0.027 0.000 0.270 385 S C -0.097 174.503 174.600 -0.000 0.000 1.346 385 S CA -0.977 57.205 58.200 -0.030 0.000 1.018 385 S CB 1.253 64.410 63.200 -0.072 0.000 0.899 385 S HN 0.421 nan 8.310 nan 0.000 0.542 386 K N 0.657 121.051 120.400 -0.009 0.000 2.267 386 K HA 0.203 4.539 4.320 0.027 0.000 0.282 386 K C 1.032 177.635 176.600 0.005 0.000 1.078 386 K CA -0.691 55.600 56.287 0.006 0.000 0.903 386 K CB 0.747 33.248 32.500 0.002 0.000 1.111 386 K HN 0.664 nan 8.250 nan 0.000 0.475 387 K N 3.478 123.885 120.400 0.012 0.000 2.059 387 K HA -0.204 4.132 4.320 0.027 0.000 0.212 387 K C 0.164 176.768 176.600 0.008 0.000 1.050 387 K CA 2.209 58.502 56.287 0.009 0.000 0.927 387 K CB -0.094 32.413 32.500 0.012 0.000 0.714 387 K HN 0.672 nan 8.250 nan 0.000 0.447 388 D N 0.147 120.553 120.400 0.011 0.000 2.338 388 D HA 0.133 4.790 4.640 0.027 0.000 0.239 388 D C -0.624 175.684 176.300 0.014 0.000 1.095 388 D CA 0.688 54.695 54.000 0.012 0.000 0.888 388 D CB 0.047 40.855 40.800 0.014 0.000 0.899 388 D HN 0.389 nan 8.370 nan 0.000 0.525 389 A N 0.760 123.588 122.820 0.013 0.000 2.292 389 A HA 0.500 4.836 4.320 0.027 0.000 0.319 389 A C -1.669 175.929 177.584 0.023 0.000 1.206 389 A CA -1.211 50.838 52.037 0.020 0.000 0.835 389 A CB 1.315 20.325 19.000 0.015 0.000 1.164 389 A HN -0.105 nan 8.150 nan 0.000 0.505 390 P HA 0.024 nan 4.420 nan 0.000 0.227 390 P C -0.106 177.219 177.300 0.041 0.000 1.161 390 P CA 0.915 64.032 63.100 0.028 0.000 0.788 390 P CB 0.239 31.954 31.700 0.025 0.000 0.822 391 D N -0.681 119.758 120.400 0.065 0.000 3.068 391 D HA 0.075 4.731 4.640 0.027 0.000 0.327 391 D C -0.423 175.975 176.300 0.163 0.000 1.361 391 D CA -0.511 53.553 54.000 0.106 0.000 0.877 391 D CB -0.297 40.574 40.800 0.119 0.000 1.088 391 D HN -0.018 nan 8.370 nan 0.000 0.489 392 K N 1.191 121.642 120.400 0.086 0.000 2.472 392 K HA 0.211 4.548 4.320 0.027 0.000 0.280 392 K C -0.451 176.211 176.600 0.104 0.000 1.028 392 K CA 0.243 56.550 56.287 0.034 0.000 1.045 392 K CB 0.162 32.659 32.500 -0.005 0.000 0.902 392 K HN 0.448 nan 8.250 nan 0.000 0.478 393 Y N -1.937 118.363 120.300 0.000 0.000 2.670 393 Y HA 0.621 5.188 4.550 0.028 0.000 0.334 393 Y C -1.537 174.366 175.900 0.005 0.000 1.185 393 Y CA -1.419 56.681 58.100 0.000 0.000 1.053 393 Y CB 1.136 39.599 38.460 0.005 0.000 1.298 393 Y HN 0.114 nan 8.280 nan 0.000 0.459 394 V N 2.285 122.327 119.914 0.213 0.000 2.569 394 V HA 0.491 4.627 4.120 0.027 0.000 0.301 394 V C -1.014 175.242 176.094 0.272 0.000 1.044 394 V CA -0.947 61.429 62.300 0.126 0.000 0.874 394 V CB 1.649 33.493 31.823 0.034 0.000 1.002 394 V HN 0.814 nan 8.190 nan 0.000 0.424 395 K N 3.891 124.468 120.400 0.296 0.000 2.345 395 K HA 0.776 5.112 4.320 0.027 0.000 0.255 395 K C -1.531 175.149 176.600 0.133 0.000 0.934 395 K CA -0.545 55.868 56.287 0.210 0.000 0.801 395 K CB 2.270 34.883 32.500 0.190 0.000 1.137 395 K HN 0.441 nan 8.250 nan 0.000 0.424 396 V N 6.082 126.080 119.914 0.140 0.000 2.383 396 V HA 0.366 4.503 4.120 0.027 0.000 0.275 396 V C -0.099 176.116 176.094 0.201 0.000 1.036 396 V CA -0.591 61.783 62.300 0.123 0.000 0.889 396 V CB 0.900 32.769 31.823 0.076 0.000 0.985 396 V HN 0.681 nan 8.190 nan 0.000 0.459 397 I N 5.946 126.583 120.570 0.111 0.000 2.362 397 I HA 0.407 4.594 4.170 0.027 0.000 0.289 397 I C -0.620 175.565 176.117 0.112 0.000 0.994 397 I CA -0.596 60.764 61.300 0.100 0.000 1.158 397 I CB 1.720 39.738 38.000 0.030 0.000 1.315 397 I HN 0.396 nan 8.210 nan 0.000 0.451 398 L N 6.674 127.996 121.223 0.165 0.000 2.322 398 L HA 0.696 5.053 4.340 0.027 0.000 0.279 398 L C -0.861 176.063 176.870 0.089 0.000 1.036 398 L CA 0.461 55.390 54.840 0.148 0.000 0.807 398 L CB 1.272 43.490 42.059 0.265 0.000 1.226 398 L HN 0.552 nan 8.230 nan 0.000 0.433 399 D N 1.295 121.741 120.400 0.076 0.000 2.725 399 D HA 0.364 5.020 4.640 0.027 0.000 0.292 399 D C -1.611 174.732 176.300 0.073 0.000 1.288 399 D CA -0.359 53.685 54.000 0.074 0.000 0.784 399 D CB 1.467 42.321 40.800 0.090 0.000 1.308 399 D HN 0.608 nan 8.370 nan 0.000 0.429 400 E N 0.793 121.041 120.200 0.081 0.000 2.212 400 E HA 0.628 4.994 4.350 0.027 0.000 0.268 400 E C -0.649 176.037 176.600 0.143 0.000 0.902 400 E CA -0.854 55.598 56.400 0.085 0.000 0.779 400 E CB 2.997 32.734 29.700 0.063 0.000 1.172 400 E HN 0.202 nan 8.360 nan 0.000 0.409 401 K N 1.796 122.324 120.400 0.213 0.000 2.572 401 K HA 0.134 4.471 4.320 0.027 0.000 0.263 401 K C -1.453 175.400 176.600 0.422 0.000 0.932 401 K CA -0.484 55.975 56.287 0.287 0.000 0.838 401 K CB 1.277 33.977 32.500 0.334 0.000 1.366 401 K HN 0.412 nan 8.250 nan 0.000 0.425 402 D N 2.160 122.725 120.400 0.275 0.000 2.737 402 D HA -0.194 4.462 4.640 0.027 0.000 0.233 402 D C 0.681 177.186 176.300 0.342 0.000 1.155 402 D CA 2.332 56.479 54.000 0.244 0.000 0.667 402 D CB -1.127 39.751 40.800 0.131 0.000 1.060 402 D HN 1.032 nan 8.370 nan 0.000 0.427 403 G N -2.435 106.522 108.800 0.261 0.000 2.179 403 G HA2 -0.093 3.883 3.960 0.027 0.000 0.260 403 G HA3 -0.093 3.883 3.960 0.027 0.000 0.260 403 G C 0.664 175.681 174.900 0.195 0.000 0.977 403 G CA 0.492 45.719 45.100 0.211 0.000 0.641 403 G HN 1.036 nan 8.290 nan 0.000 0.533 404 G N -1.812 107.127 108.800 0.232 0.000 3.222 404 G HA2 0.743 4.719 3.960 0.027 0.000 0.263 404 G HA3 0.743 4.719 3.960 0.027 0.000 0.263 404 G C -0.914 173.871 174.900 -0.192 0.000 1.312 404 G CA 0.038 45.041 45.100 -0.162 0.000 0.934 404 G HN 0.922 nan 8.290 nan 0.000 0.577 405 V N 0.277 119.939 119.914 -0.419 0.000 2.513 405 V HA 0.562 4.698 4.120 0.027 0.000 0.299 405 V C -0.804 175.162 176.094 -0.214 0.000 1.035 405 V CA -0.610 61.561 62.300 -0.215 0.000 0.889 405 V CB 1.459 33.179 31.823 -0.172 0.000 0.988 405 V HN 0.570 nan 8.190 nan 0.000 0.440 406 L N 6.320 127.549 121.223 0.011 0.000 2.305 406 L HA 0.658 5.014 4.340 0.027 0.000 0.284 406 L C -0.679 176.235 176.870 0.073 0.000 1.013 406 L CA 0.196 55.117 54.840 0.135 0.000 0.819 406 L CB 1.178 43.413 42.059 0.293 0.000 1.227 406 L HN 0.536 nan 8.230 nan 0.000 0.417 407 I N 6.107 126.699 120.570 0.036 0.000 2.404 407 I HA 0.451 4.637 4.170 0.027 0.000 0.293 407 I C -0.640 175.441 176.117 -0.060 0.000 0.992 407 I CA -0.434 60.862 61.300 -0.006 0.000 1.149 407 I CB 1.759 39.737 38.000 -0.036 0.000 1.315 407 I HN 0.499 nan 8.210 nan 0.000 0.446 408 I N 6.393 126.905 120.570 -0.097 0.000 2.509 408 I HA 0.392 4.578 4.170 0.027 0.000 0.293 408 I C -0.798 175.236 176.117 -0.138 0.000 1.020 408 I CA -0.872 60.275 61.300 -0.255 0.000 1.088 408 I CB 2.318 40.096 38.000 -0.370 0.000 1.267 408 I HN 0.139 nan 8.210 nan 0.000 0.430 409 V N 5.681 125.521 119.914 -0.124 0.000 2.326 409 V HA 0.300 4.436 4.120 0.027 0.000 0.281 409 V C -0.122 175.969 176.094 -0.005 0.000 1.015 409 V CA -0.525 61.758 62.300 -0.028 0.000 0.823 409 V CB 1.330 33.143 31.823 -0.017 0.000 1.009 409 V HN 0.719 nan 8.190 nan 0.000 0.436 410 E N 4.086 124.293 120.200 0.011 0.000 2.179 410 E HA 0.581 4.947 4.350 0.027 0.000 0.275 410 E C -1.302 175.307 176.600 0.014 0.000 0.945 410 E CA -0.580 55.835 56.400 0.025 0.000 0.792 410 E CB 1.822 31.559 29.700 0.062 0.000 1.125 410 E HN 0.896 nan 8.360 nan 0.000 0.397 411 D N 1.838 122.185 120.400 -0.088 0.000 2.552 411 D HA 0.195 4.852 4.640 0.027 0.000 0.239 411 D C -0.644 175.442 176.300 -0.357 0.000 1.139 411 D CA -0.828 52.986 54.000 -0.311 0.000 0.914 411 D CB 0.800 41.512 40.800 -0.146 0.000 1.461 411 D HN 0.379 nan 8.370 nan 0.000 0.462 412 N N 0.107 118.479 118.700 -0.547 0.000 2.635 412 N HA 0.280 5.036 4.740 0.027 0.000 0.307 412 N C 0.293 175.705 175.510 -0.163 0.000 1.433 412 N CA -0.637 52.239 53.050 -0.291 0.000 0.973 412 N CB 0.672 38.995 38.487 -0.272 0.000 1.304 412 N HN 0.525 nan 8.380 nan 0.000 0.507 413 G N 0.597 109.331 108.800 -0.111 0.000 2.504 413 G HA2 0.287 4.264 3.960 0.027 0.000 0.257 413 G HA3 0.287 4.264 3.960 0.027 0.000 0.257 413 G C 1.128 176.033 174.900 0.008 0.000 1.451 413 G CA -0.475 44.606 45.100 -0.031 0.000 1.059 413 G HN 0.348 nan 8.290 nan 0.000 0.550 414 I N -1.812 118.787 120.570 0.049 0.000 2.830 414 I HA 0.317 4.504 4.170 0.027 0.000 0.263 414 I C 1.118 177.251 176.117 0.026 0.000 1.230 414 I CA 0.689 62.018 61.300 0.047 0.000 1.480 414 I CB -0.917 37.131 38.000 0.080 0.000 1.095 414 I HN 0.934 nan 8.210 nan 0.000 0.455 415 G N 1.829 110.640 108.800 0.018 0.000 2.796 415 G HA2 -0.145 3.832 3.960 0.027 0.000 0.571 415 G HA3 -0.145 3.832 3.960 0.027 0.000 0.571 415 G C -0.847 174.035 174.900 -0.030 0.000 1.370 415 G CA -0.199 44.897 45.100 -0.006 0.000 0.856 415 G HN 0.410 nan 8.290 nan 0.000 0.538 416 I N 1.561 122.098 120.570 -0.054 0.000 2.569 416 I HA 0.411 4.598 4.170 0.027 0.000 0.290 416 I C -2.048 174.012 176.117 -0.095 0.000 1.088 416 I CA -2.124 59.123 61.300 -0.088 0.000 1.047 416 I CB 2.783 40.712 38.000 -0.119 0.000 1.237 416 I HN 0.452 nan 8.210 nan 0.000 0.421 417 P HA 0.068 nan 4.420 nan 0.000 0.272 417 P C -0.118 177.066 177.300 -0.194 0.000 1.223 417 P CA -0.058 62.963 63.100 -0.132 0.000 0.784 417 P CB 1.252 32.883 31.700 -0.116 0.000 0.923 418 D N 0.609 120.967 120.400 -0.069 0.000 2.149 418 D HA -0.216 4.440 4.640 0.027 0.000 0.194 418 D C 1.728 178.004 176.300 -0.041 0.000 1.001 418 D CA 1.546 55.525 54.000 -0.034 0.000 0.849 418 D CB -0.424 40.391 40.800 0.025 0.000 0.939 418 D HN 0.652 nan 8.370 nan 0.000 0.449 419 H N -0.396 118.686 119.070 0.020 0.000 2.518 419 H HA 0.129 4.701 4.556 0.026 0.000 0.289 419 H C 1.247 176.578 175.328 0.006 0.000 1.051 419 H CA 1.283 57.344 56.048 0.020 0.000 1.280 419 H CB 0.054 29.840 29.762 0.039 0.000 1.380 419 H HN 0.066 nan 8.280 nan 0.000 0.566 420 A N 1.022 123.570 122.820 -0.453 0.000 2.390 420 A HA 0.131 4.468 4.320 0.027 0.000 0.232 420 A C 2.068 179.528 177.584 -0.206 0.000 1.233 420 A CA -0.357 51.494 52.037 -0.310 0.000 0.907 420 A CB 0.046 18.865 19.000 -0.303 0.000 0.967 420 A HN 0.261 nan 8.150 nan 0.000 0.512 421 K N 0.150 120.473 120.400 -0.128 0.000 2.281 421 K HA -0.138 4.198 4.320 0.027 0.000 0.203 421 K C 0.570 177.222 176.600 0.087 0.000 1.046 421 K CA 1.494 57.757 56.287 -0.039 0.000 0.938 421 K CB 0.022 32.518 32.500 -0.007 0.000 0.737 421 K HN 0.322 nan 8.250 nan 0.000 0.458 422 D N -0.400 120.032 120.400 0.053 0.000 2.394 422 D HA 0.048 4.704 4.640 0.027 0.000 0.226 422 D C 1.659 178.008 176.300 0.082 0.000 0.990 422 D CA 0.436 54.532 54.000 0.160 0.000 0.902 422 D CB 0.257 41.096 40.800 0.064 0.000 1.038 422 D HN 0.010 nan 8.370 nan 0.000 0.499 423 R N 0.928 121.319 120.500 -0.182 0.000 2.152 423 R HA -0.042 4.314 4.340 0.027 0.000 0.232 423 R C 2.315 178.236 176.300 -0.632 0.000 1.117 423 R CA 0.822 56.618 56.100 -0.507 0.000 0.981 423 R CB -0.513 29.227 30.300 -0.933 0.000 0.870 423 R HN 0.382 nan 8.270 nan 0.000 0.451 424 I N -2.563 117.752 120.570 -0.425 0.000 2.700 424 I HA -0.154 4.033 4.170 0.027 0.000 0.261 424 I C 1.078 177.055 176.117 -0.234 0.000 1.219 424 I CA 1.351 62.516 61.300 -0.224 0.000 1.463 424 I CB -0.381 37.455 38.000 -0.273 0.000 1.092 424 I HN -0.108 nan 8.210 nan 0.000 0.452 425 F N 1.800 121.755 119.950 0.008 0.000 2.780 425 F HA 0.225 4.767 4.527 0.024 0.000 0.299 425 F C 1.179 176.986 175.800 0.013 0.000 1.146 425 F CA 0.003 58.025 58.000 0.037 0.000 1.428 425 F CB -0.311 38.718 39.000 0.049 0.000 1.115 425 F HN 0.086 nan 8.300 nan 0.000 0.583 426 E N 0.817 121.098 120.200 0.135 0.000 2.354 426 E HA 0.073 4.439 4.350 0.027 0.000 0.269 426 E C 0.031 176.690 176.600 0.099 0.000 1.036 426 E CA -0.421 56.044 56.400 0.108 0.000 0.876 426 E CB 0.506 30.265 29.700 0.099 0.000 1.009 426 E HN 0.177 nan 8.360 nan 0.000 0.416 427 Q N 1.709 121.511 119.800 0.003 0.000 2.283 427 Q HA -0.121 4.235 4.340 0.027 0.000 0.301 427 Q C -0.501 175.479 176.000 -0.035 0.000 1.063 427 Q CA 0.650 56.333 55.803 -0.200 0.000 0.952 427 Q CB 0.080 28.591 28.738 -0.378 0.000 1.166 427 Q HN 0.592 nan 8.270 nan 0.000 0.381 428 F N -0.205 119.814 119.950 0.115 0.000 2.571 428 F HA -0.350 4.188 4.527 0.018 0.000 0.515 428 F C 0.120 175.989 175.800 0.114 0.000 0.532 428 F CA 0.788 58.855 58.000 0.110 0.000 1.158 428 F CB -2.095 36.964 39.000 0.099 0.000 1.848 428 F HN 0.646 nan 8.300 nan 0.000 0.266 429 Y N 3.615 124.025 120.300 0.184 0.000 2.597 429 Y HA 0.424 4.987 4.550 0.022 0.000 0.336 429 Y C 0.738 176.684 175.900 0.076 0.000 1.216 429 Y CA 0.192 58.363 58.100 0.118 0.000 1.463 429 Y CB 0.460 38.966 38.460 0.077 0.000 1.303 429 Y HN 0.036 nan 8.280 nan 0.000 0.576 430 R N 4.190 124.372 120.500 -0.529 0.000 2.584 430 R HA 0.295 4.651 4.340 0.027 0.000 0.276 430 R C -0.011 176.001 176.300 -0.481 0.000 1.046 430 R CA -0.769 55.161 56.100 -0.283 0.000 0.906 430 R CB 1.705 31.945 30.300 -0.099 0.000 1.215 430 R HN 0.583 nan 8.270 nan 0.000 0.449 431 V N 1.271 121.076 119.914 -0.182 0.000 2.515 431 V HA -0.077 4.059 4.120 0.027 0.000 0.250 431 V C 0.997 177.059 176.094 -0.054 0.000 1.058 431 V CA 2.422 64.683 62.300 -0.065 0.000 1.064 431 V CB -1.237 30.588 31.823 0.004 0.000 0.675 431 V HN 1.140 nan 8.190 nan 0.000 0.461 443 G N 0.492 109.179 108.800 -0.188 0.000 5.064 443 G HA2 -0.170 3.806 3.960 0.027 0.000 0.277 443 G HA3 -0.170 3.806 3.960 0.027 0.000 0.277 443 G C 0.542 175.288 174.900 -0.257 0.000 1.580 443 G CA 0.508 45.509 45.100 -0.165 0.000 1.109 443 G HN 0.666 nan 8.290 nan 0.000 0.695 444 L N 1.009 122.201 121.223 -0.051 0.000 3.076 444 L HA 0.510 4.866 4.340 0.027 0.000 0.173 444 L C 2.558 179.405 176.870 -0.038 0.000 1.343 444 L CA 2.154 56.965 54.840 -0.048 0.000 0.894 444 L CB -1.629 40.448 42.059 0.030 0.000 1.372 444 L HN 1.742 nan 8.230 nan 0.000 0.565 445 G N 1.032 109.831 108.800 -0.001 0.000 2.602 445 G HA2 -0.364 3.612 3.960 0.027 0.000 0.317 445 G HA3 -0.364 3.612 3.960 0.027 0.000 0.317 445 G C 1.039 175.939 174.900 0.000 0.000 1.327 445 G CA 0.678 45.776 45.100 -0.003 0.000 0.971 445 G HN 0.341 nan 8.290 nan 0.000 0.540 446 L N 0.871 122.094 121.223 0.001 0.000 2.261 446 L HA -0.029 4.327 4.340 0.027 0.000 0.216 446 L C 3.416 180.390 176.870 0.173 0.000 1.114 446 L CA 1.704 56.585 54.840 0.068 0.000 0.777 446 L CB -0.755 41.272 42.059 -0.052 0.000 0.910 446 L HN 0.732 nan 8.230 nan 0.000 0.440 447 A N 0.200 123.068 122.820 0.081 0.000 1.873 447 A HA -0.214 4.122 4.320 0.027 0.000 0.215 447 A C 2.253 179.857 177.584 0.033 0.000 1.186 447 A CA 1.603 53.676 52.037 0.059 0.000 0.616 447 A CB -0.513 18.458 19.000 -0.048 0.000 0.823 447 A HN 0.401 nan 8.150 nan 0.000 0.442 448 I N -0.883 119.691 120.570 0.005 0.000 2.617 448 I HA -0.133 4.054 4.170 0.027 0.000 0.256 448 I C 2.195 178.332 176.117 0.034 0.000 1.167 448 I CA 1.525 62.827 61.300 0.003 0.000 1.469 448 I CB -0.022 37.973 38.000 -0.008 0.000 1.098 448 I HN 0.282 nan 8.210 nan 0.000 0.436 449 T N 0.890 115.478 114.554 0.056 0.000 2.708 449 T HA -0.254 4.112 4.350 0.027 0.000 0.266 449 T C 1.878 176.633 174.700 0.093 0.000 1.037 449 T CA 1.798 63.939 62.100 0.069 0.000 1.146 449 T CB -0.182 68.736 68.868 0.083 0.000 0.865 449 T HN 0.351 nan 8.240 nan 0.000 0.435 450 K N 0.777 121.254 120.400 0.129 0.000 2.057 450 K HA -0.165 4.171 4.320 0.027 0.000 0.207 450 K C 2.319 178.944 176.600 0.041 0.000 1.049 450 K CA 1.554 57.881 56.287 0.066 0.000 0.931 450 K CB -0.073 32.453 32.500 0.043 0.000 0.714 450 K HN 0.140 nan 8.250 nan 0.000 0.440 451 E N 1.105 121.328 120.200 0.039 0.000 2.077 451 E HA -0.141 4.225 4.350 0.027 0.000 0.193 451 E C 1.787 178.417 176.600 0.050 0.000 0.989 451 E CA 1.387 57.802 56.400 0.025 0.000 0.800 451 E CB -0.165 29.535 29.700 0.001 0.000 0.746 451 E HN 0.420 nan 8.360 nan 0.000 0.452 452 I N -0.521 120.088 120.570 0.065 0.000 2.179 452 I HA -0.256 3.931 4.170 0.027 0.000 0.242 452 I C 2.214 178.454 176.117 0.204 0.000 1.088 452 I CA 0.795 62.166 61.300 0.118 0.000 1.357 452 I CB -0.241 37.811 38.000 0.088 0.000 1.051 452 I HN 0.043 nan 8.210 nan 0.000 0.409 453 V N 0.724 120.707 119.914 0.114 0.000 2.295 453 V HA -0.278 3.858 4.120 0.027 0.000 0.246 453 V C 2.338 178.523 176.094 0.152 0.000 1.049 453 V CA 1.945 64.306 62.300 0.103 0.000 1.024 453 V CB -0.616 31.252 31.823 0.074 0.000 0.648 453 V HN 0.436 nan 8.190 nan 0.000 0.447 454 E N -0.232 120.033 120.200 0.109 0.000 2.150 454 E HA -0.167 4.199 4.350 0.027 0.000 0.193 454 E C 2.190 178.843 176.600 0.089 0.000 0.985 454 E CA 0.952 57.409 56.400 0.094 0.000 0.814 454 E CB -0.160 29.568 29.700 0.047 0.000 0.752 454 E HN 0.503 nan 8.360 nan 0.000 0.466 455 L N 0.090 121.361 121.223 0.079 0.000 2.201 455 L HA -0.163 4.193 4.340 0.027 0.000 0.212 455 L C 1.683 178.535 176.870 -0.030 0.000 1.105 455 L CA 0.999 55.844 54.840 0.008 0.000 0.775 455 L CB -0.200 41.837 42.059 -0.037 0.000 0.913 455 L HN 0.166 nan 8.230 nan 0.000 0.440 456 H N -0.643 118.432 119.070 0.008 0.000 2.547 456 H HA 0.126 4.697 4.556 0.027 0.000 0.266 456 H C 1.522 176.872 175.328 0.036 0.000 0.988 456 H CA 0.625 56.675 56.048 0.002 0.000 1.147 456 H CB 0.187 29.935 29.762 -0.024 0.000 1.365 456 H HN 0.333 nan 8.280 nan 0.000 0.589 457 G N -0.455 108.440 108.800 0.159 0.000 2.141 457 G HA2 -0.209 3.768 3.960 0.027 0.000 0.242 457 G HA3 -0.209 3.768 3.960 0.027 0.000 0.242 457 G C 0.707 175.764 174.900 0.261 0.000 0.982 457 G CA 0.090 45.292 45.100 0.170 0.000 0.662 457 G HN 0.756 nan 8.290 nan 0.000 0.527 458 G N -1.004 107.945 108.800 0.250 0.000 2.583 458 G HA2 0.758 4.734 3.960 0.027 0.000 0.280 458 G HA3 0.758 4.734 3.960 0.027 0.000 0.280 458 G C -0.177 174.918 174.900 0.326 0.000 1.376 458 G CA -0.174 45.141 45.100 0.360 0.000 1.043 458 G HN 0.672 nan 8.290 nan 0.000 0.538 459 R N -1.320 119.427 120.500 0.412 0.000 2.725 459 R HA 0.660 5.017 4.340 0.027 0.000 0.277 459 R C -1.840 174.710 176.300 0.415 0.000 0.987 459 R CA -0.730 55.569 56.100 0.332 0.000 0.901 459 R CB 1.998 32.475 30.300 0.295 0.000 1.207 459 R HN 0.496 nan 8.270 nan 0.000 0.463 460 I N 4.153 124.893 120.570 0.283 0.000 2.647 460 I HA 0.686 4.872 4.170 0.027 0.000 0.295 460 I C -1.879 174.386 176.117 0.247 0.000 1.078 460 I CA -0.544 60.897 61.300 0.236 0.000 1.048 460 I CB 1.506 39.541 38.000 0.058 0.000 1.239 460 I HN 0.888 nan 8.210 nan 0.000 0.421 461 W N 6.091 127.438 121.300 0.079 0.000 2.959 461 W HA 0.726 5.401 4.660 0.025 0.000 0.358 461 W C -2.555 174.112 176.519 0.246 0.000 1.228 461 W CA -0.998 56.396 57.345 0.082 0.000 1.183 461 W CB 0.627 30.070 29.460 -0.029 0.000 1.467 461 W HN 0.356 nan 8.180 nan 0.000 0.578 462 V N 1.053 121.103 119.914 0.228 0.000 2.914 462 V HA 0.608 4.745 4.120 0.027 0.000 0.314 462 V C -1.237 174.893 176.094 0.061 0.000 1.084 462 V CA -0.782 61.421 62.300 -0.161 0.000 0.963 462 V CB 2.121 33.567 31.823 -0.629 0.000 1.025 462 V HN 0.683 nan 8.190 nan 0.000 0.432 463 E N 2.852 123.086 120.200 0.057 0.000 2.241 463 E HA 0.653 5.019 4.350 0.027 0.000 0.263 463 E C -1.396 175.216 176.600 0.021 0.000 0.882 463 E CA -0.269 56.211 56.400 0.133 0.000 0.769 463 E CB 2.076 31.965 29.700 0.315 0.000 1.185 463 E HN 0.638 nan 8.360 nan 0.000 0.415 464 S N 2.676 118.372 115.700 -0.006 0.000 2.570 464 S HA 0.369 4.856 4.470 0.027 0.000 0.270 464 S C -1.724 172.871 174.600 -0.008 0.000 1.149 464 S CA -0.677 57.505 58.200 -0.030 0.000 0.837 464 S CB 1.444 64.590 63.200 -0.090 0.000 1.124 464 S HN 0.434 nan 8.310 nan 0.000 0.465 465 E N 1.871 122.070 120.200 -0.002 0.000 2.241 465 E HA 0.343 4.710 4.350 0.027 0.000 0.263 465 E C -0.959 175.643 176.600 0.004 0.000 0.882 465 E CA -0.713 55.691 56.400 0.006 0.000 0.769 465 E CB 2.049 31.760 29.700 0.018 0.000 1.185 465 E HN 0.507 nan 8.360 nan 0.000 0.415 466 V N 2.295 122.211 119.914 0.004 0.000 2.644 466 V HA 0.017 4.153 4.120 0.027 0.000 0.305 466 V C 1.518 177.621 176.094 0.015 0.000 1.053 466 V CA 2.014 64.319 62.300 0.008 0.000 1.186 466 V CB 0.434 32.266 31.823 0.015 0.000 0.895 466 V HN 1.137 nan 8.190 nan 0.000 0.490 467 G N 3.668 112.478 108.800 0.016 0.000 2.267 467 G HA2 -0.344 3.633 3.960 0.027 0.000 0.257 467 G HA3 -0.344 3.633 3.960 0.027 0.000 0.257 467 G C 1.081 175.990 174.900 0.015 0.000 0.998 467 G CA 0.750 45.861 45.100 0.018 0.000 0.620 467 G HN 0.731 nan 8.290 nan 0.000 0.529 468 K N 0.303 120.711 120.400 0.013 0.000 2.262 468 K HA 0.490 4.827 4.320 0.027 0.000 0.200 468 K C 1.196 177.796 176.600 -0.001 0.000 1.058 468 K CA 1.628 57.922 56.287 0.013 0.000 0.974 468 K CB 0.421 32.934 32.500 0.020 0.000 0.910 468 K HN 1.615 nan 8.250 nan 0.000 0.484 469 G N -0.238 108.559 108.800 -0.005 0.000 2.359 469 G HA2 0.068 4.044 3.960 0.027 0.000 0.303 469 G HA3 0.068 4.044 3.960 0.027 0.000 0.303 469 G C -1.529 173.363 174.900 -0.013 0.000 1.293 469 G CA -0.595 44.493 45.100 -0.019 0.000 0.964 469 G HN 0.139 nan 8.290 nan 0.000 0.531 470 S N -0.910 114.784 115.700 -0.011 0.000 2.569 470 S HA 0.842 5.328 4.470 0.027 0.000 0.280 470 S C -0.534 174.044 174.600 -0.036 0.000 1.111 470 S CA -0.868 57.309 58.200 -0.037 0.000 0.887 470 S CB 2.304 65.482 63.200 -0.037 0.000 1.095 470 S HN 0.722 nan 8.310 nan 0.000 0.476 471 R N 0.801 121.226 120.500 -0.124 0.000 2.435 471 R HA 0.451 4.807 4.340 0.027 0.000 0.308 471 R C -1.708 174.366 176.300 -0.377 0.000 0.975 471 R CA -0.283 55.674 56.100 -0.239 0.000 0.867 471 R CB 0.899 31.008 30.300 -0.318 0.000 1.171 471 R HN 0.479 nan 8.270 nan 0.000 0.470 472 F N 3.601 123.372 119.950 -0.298 0.000 2.411 472 F HA 0.378 4.920 4.527 0.026 0.000 0.350 472 F C -0.134 175.406 175.800 -0.433 0.000 1.114 472 F CA -0.253 57.630 58.000 -0.194 0.000 1.135 472 F CB 0.660 39.617 39.000 -0.072 0.000 1.120 472 F HN 0.304 nan 8.300 nan 0.000 0.495 473 F N 2.745 122.378 119.950 -0.529 0.000 2.421 473 F HA 0.612 5.155 4.527 0.026 0.000 0.337 473 F C -0.286 175.205 175.800 -0.515 0.000 1.105 473 F CA -1.110 56.425 58.000 -0.774 0.000 1.049 473 F CB 1.433 39.291 39.000 -1.902 0.000 1.139 473 F HN -0.042 nan 8.300 nan 0.000 0.479 474 V N 2.998 122.886 119.914 -0.043 0.000 2.447 474 V HA 0.186 4.323 4.120 0.027 0.000 0.292 474 V C -1.411 174.796 176.094 0.188 0.000 1.021 474 V CA -0.928 61.423 62.300 0.085 0.000 0.850 474 V CB 1.334 33.174 31.823 0.027 0.000 1.005 474 V HN 0.790 nan 8.190 nan 0.000 0.426 475 W N 8.255 129.669 121.300 0.189 0.000 2.429 475 W HA 0.823 5.499 4.660 0.026 0.000 0.314 475 W C -0.567 176.034 176.519 0.138 0.000 1.062 475 W CA -0.650 56.816 57.345 0.202 0.000 1.211 475 W CB 1.263 30.913 29.460 0.318 0.000 1.305 475 W HN 0.592 nan 8.180 nan 0.000 0.476 476 I N 4.149 124.275 120.570 -0.741 0.000 2.828 476 I HA 0.690 4.877 4.170 0.027 0.000 0.302 476 I C -2.631 172.821 176.117 -1.107 0.000 1.101 476 I CA -3.221 57.681 61.300 -0.663 0.000 1.031 476 I CB 2.011 39.824 38.000 -0.311 0.000 1.231 476 I HN 0.172 nan 8.210 nan 0.000 0.427 477 P HA 0.124 nan 4.420 nan 0.000 0.268 477 P C -0.344 176.809 177.300 -0.245 0.000 1.205 477 P CA -0.217 62.643 63.100 -0.400 0.000 0.771 477 P CB 0.965 32.640 31.700 -0.042 0.000 0.858 478 K N 1.946 122.249 120.400 -0.162 0.000 2.214 478 K HA 0.007 4.343 4.320 0.027 0.000 0.201 478 K C -0.410 176.195 176.600 0.009 0.000 1.049 478 K CA 0.486 56.727 56.287 -0.077 0.000 0.978 478 K CB -0.025 32.434 32.500 -0.068 0.000 0.842 478 K HN 0.489 nan 8.250 nan 0.000 0.474 479 D N 0.679 121.085 120.400 0.010 0.000 2.312 479 D HA 0.451 5.107 4.640 0.027 0.000 0.252 479 D C -0.074 176.228 176.300 0.003 0.000 1.150 479 D CA -0.270 53.735 54.000 0.009 0.000 0.870 479 D CB 1.332 42.139 40.800 0.010 0.000 1.153 479 D HN 0.391 nan 8.370 nan 0.000 0.457 480 R N 0.315 120.764 120.500 -0.086 0.000 3.139 480 R HA 0.809 5.165 4.340 0.027 0.000 0.287 480 R C -1.691 174.176 176.300 -0.722 0.000 0.978 480 R CA -0.617 55.353 56.100 -0.216 0.000 0.837 480 R CB 0.048 30.370 30.300 0.036 0.000 1.330 480 R HN 1.444 nan 8.270 nan 0.000 0.527 481 A N 0.000 122.313 122.820 -0.844 0.000 2.254 481 A HA 0.000 4.336 4.320 0.027 0.000 0.244 481 A CA 0.000 nan 52.037 nan 0.000 0.836 481 A CB 0.000 19.016 19.000 0.027 0.000 0.831 481 A HN 0.000 nan 8.150 nan 0.000 0.486