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 2win_1_K DATA FIRST_RESID 235 DATA SEQUENCE KIVLDPSGSM NIYLVLDGSD SIGASNFTGA KKCLVNLIEK VASYGVKPRY DATA SEQUENCE GLVTYATYPK IWVKVSEADS SNADWVTKQL NEINYEDHKL KSGTNTKKAL DATA SEQUENCE QAVYSMMSWP DDVPPEGWNR TRHVIILMTD GLHNMGGDPI TVIDEIRDLL DATA SEQUENCE YIGKDRKNPR EDYLDVYVFG VGPLVNQVNI NALASKKDNE QHVFKVKDME DATA SEQUENCE NLEDVFYQMI DESQSLSLcG MVWEHRKGTD YHKQPWQAKI SVIRPSKGHE DATA SEQUENCE ScMGAVVSEY FVLTAAHcFT VDDKEHSIKV SVGGEKRDLE IEVVLFHPNY DATA SEQUENCE NINGKKEAGI PEFYDYDVAL IKLKNKLKYG QTIRPIcLPc TEGTTRALRL DATA SEQUENCE PPTTTcQQQK EELLPAQDIK ALFVSEEEKK LTRKEVYIKN GDKKGScERD DATA SEQUENCE AQYAPGYDKV KDISEVVTPR FLcTGGVSPY ADPNTcRGDS GGPLIVHKRS DATA SEQUENCE RFIQVGVISW GVVDVcKNQK RQKQVPAHAR DFHINLFQVL PWLKEKLQDE DATA SEQUENCE DLGFLAA 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 235 K HA 0.000 nan 4.320 nan 0.000 0.191 235 K C 0.000 176.705 176.600 0.175 0.000 0.988 235 K CA 0.000 56.365 56.287 0.130 0.000 0.838 235 K CB 0.000 32.556 32.500 0.094 0.000 1.064 236 I N 1.966 122.598 120.570 0.103 0.000 2.173 236 I HA 0.049 4.219 4.170 -0.000 0.000 0.207 236 I C -0.721 175.408 176.117 0.019 0.000 1.449 236 I CA -0.787 60.569 61.300 0.094 0.000 1.290 236 I CB 0.529 38.613 38.000 0.140 0.000 1.772 236 I HN 0.030 nan 8.210 nan 0.000 0.376 237 V N 4.381 124.288 119.914 -0.012 0.000 2.953 237 V HA 0.188 4.308 4.120 -0.000 0.000 0.304 237 V C -0.523 175.551 176.094 -0.034 0.000 1.138 237 V CA 0.313 62.594 62.300 -0.030 0.000 1.266 237 V CB 1.358 33.144 31.823 -0.061 0.000 0.923 237 V HN 0.584 nan 8.190 nan 0.000 0.505 238 L N 5.584 126.791 121.223 -0.026 0.000 2.492 238 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 238 L C -1.518 175.359 176.870 0.012 0.000 1.028 238 L CA -0.002 54.817 54.840 -0.035 0.000 0.900 238 L CB 0.746 42.745 42.059 -0.100 0.000 1.191 238 L HN 1.225 nan 8.230 nan 0.000 0.459 239 D N 3.088 123.493 120.400 0.009 0.000 2.745 239 D HA 0.336 4.976 4.640 -0.000 0.000 0.221 239 D C -2.714 173.595 176.300 0.014 0.000 1.237 239 D CA -1.105 52.910 54.000 0.025 0.000 0.781 239 D CB 1.235 42.050 40.800 0.025 0.000 1.575 239 D HN 0.064 nan 8.370 nan 0.000 0.482 240 P HA -0.003 nan 4.420 nan 0.000 0.234 240 P C 0.991 178.297 177.300 0.010 0.000 1.167 240 P CA 0.704 63.811 63.100 0.012 0.000 0.763 240 P CB 0.074 31.783 31.700 0.015 0.000 0.835 241 S N -1.591 114.116 115.700 0.012 0.000 2.660 241 S HA 0.232 4.702 4.470 -0.000 0.000 0.228 241 S C 0.953 175.558 174.600 0.010 0.000 0.966 241 S CA 0.238 58.445 58.200 0.011 0.000 0.940 241 S CB -0.732 62.476 63.200 0.013 0.000 0.773 241 S HN 0.196 nan 8.310 nan 0.000 0.535 242 G N 0.652 109.456 108.800 0.008 0.000 2.691 242 G HA2 0.455 4.415 3.960 -0.000 0.000 0.298 242 G HA3 0.455 4.415 3.960 -0.000 0.000 0.298 242 G C -0.761 174.139 174.900 0.001 0.000 1.471 242 G CA -0.423 44.683 45.100 0.010 0.000 0.912 242 G HN 0.453 nan 8.290 nan 0.000 0.553 243 S N 1.138 116.839 115.700 0.001 0.000 2.579 243 S HA 0.700 5.170 4.470 -0.000 0.000 0.275 243 S C 0.317 174.892 174.600 -0.041 0.000 1.345 243 S CA -0.228 57.962 58.200 -0.017 0.000 1.031 243 S CB 1.569 64.766 63.200 -0.006 0.000 0.892 243 S HN 0.870 nan 8.310 nan 0.000 0.529 244 M N 1.539 121.091 119.600 -0.080 0.000 2.667 244 M HA 0.515 4.995 4.480 -0.000 0.000 0.286 244 M C -1.950 174.237 176.300 -0.188 0.000 1.270 244 M CA -0.746 54.482 55.300 -0.120 0.000 0.826 244 M CB 2.100 34.637 32.600 -0.104 0.000 1.743 244 M HN 0.764 nan 8.290 nan 0.000 0.460 245 N N 2.274 120.843 118.700 -0.219 0.000 2.260 245 N HA 0.546 5.285 4.740 -0.000 0.000 0.293 245 N C -1.726 173.585 175.510 -0.331 0.000 1.058 245 N CA -0.300 52.548 53.050 -0.337 0.000 0.824 245 N CB 2.299 40.582 38.487 -0.341 0.000 1.551 245 N HN 0.599 nan 8.380 nan 0.000 0.475 246 I N 2.725 123.002 120.570 -0.488 0.000 2.464 246 I HA 0.240 4.410 4.170 -0.000 0.000 0.277 246 I C -0.863 175.135 176.117 -0.200 0.000 1.040 246 I CA -0.624 60.508 61.300 -0.279 0.000 1.153 246 I CB 0.523 38.301 38.000 -0.370 0.000 1.274 246 I HN 0.344 nan 8.210 nan 0.000 0.469 247 Y N 6.342 126.707 120.300 0.109 0.000 2.600 247 Y HA 0.324 4.874 4.550 -0.000 0.000 0.351 247 Y C 0.283 176.269 175.900 0.143 0.000 1.042 247 Y CA -0.490 57.691 58.100 0.135 0.000 1.333 247 Y CB 0.273 38.814 38.460 0.135 0.000 1.172 247 Y HN 0.376 nan 8.280 nan 0.000 0.517 248 L N 5.153 126.519 121.223 0.238 0.000 2.312 248 L HA 0.334 4.674 4.340 -0.000 0.000 0.287 248 L C -0.530 176.446 176.870 0.178 0.000 1.091 248 L CA -0.628 54.318 54.840 0.177 0.000 0.846 248 L CB 0.085 42.211 42.059 0.112 0.000 1.219 248 L HN 0.316 nan 8.230 nan 0.000 0.439 249 V N 4.778 124.805 119.914 0.188 0.000 2.394 249 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 249 V C -0.134 176.099 176.094 0.231 0.000 1.031 249 V CA -0.539 61.886 62.300 0.208 0.000 0.881 249 V CB 2.078 33.989 31.823 0.148 0.000 0.982 249 V HN 0.410 nan 8.190 nan 0.000 0.451 250 L N 4.038 125.432 121.223 0.286 0.000 2.386 250 L HA 0.674 5.014 4.340 -0.000 0.000 0.271 250 L C -0.679 176.373 176.870 0.303 0.000 0.993 250 L CA -0.206 54.761 54.840 0.211 0.000 0.819 250 L CB 1.907 43.963 42.059 -0.004 0.000 1.294 250 L HN 0.696 nan 8.230 nan 0.000 0.414 251 D N 2.420 122.932 120.400 0.186 0.000 2.264 251 D HA 0.549 5.189 4.640 -0.000 0.000 0.250 251 D C 0.479 176.835 176.300 0.093 0.000 1.113 251 D CA 0.140 54.062 54.000 -0.130 0.000 0.871 251 D CB 1.767 42.527 40.800 -0.066 0.000 1.167 251 D HN 0.692 nan 8.370 nan 0.000 0.447 252 G N 1.880 110.611 108.800 -0.115 0.000 4.100 252 G HA2 0.206 4.166 3.960 -0.000 0.000 0.294 252 G HA3 0.206 4.166 3.960 -0.000 0.000 0.294 252 G C 0.319 174.969 174.900 -0.417 0.000 1.040 252 G CA -0.034 44.890 45.100 -0.294 0.000 0.829 252 G HN 0.496 nan 8.290 nan 0.000 0.505 253 S N -0.821 114.734 115.700 -0.242 0.000 2.686 253 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 253 S C 0.811 175.405 174.600 -0.009 0.000 1.194 253 S CA -0.233 57.880 58.200 -0.145 0.000 0.990 253 S CB 1.538 64.664 63.200 -0.123 0.000 1.029 253 S HN -0.057 nan 8.310 nan 0.000 0.560 254 D N 1.105 121.531 120.400 0.043 0.000 2.182 254 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 254 D C 2.100 178.464 176.300 0.106 0.000 0.986 254 D CA 1.714 55.780 54.000 0.111 0.000 0.847 254 D CB -0.650 40.191 40.800 0.068 0.000 0.942 254 D HN 0.665 nan 8.370 nan 0.000 0.467 255 S N 0.128 115.872 115.700 0.073 0.000 2.474 255 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 255 S C 1.904 176.566 174.600 0.104 0.000 0.997 255 S CA 0.307 58.551 58.200 0.073 0.000 0.949 255 S CB 0.082 63.315 63.200 0.055 0.000 0.766 255 S HN 0.165 nan 8.310 nan 0.000 0.517 256 I N 1.702 122.359 120.570 0.146 0.000 2.296 256 I HA 0.214 4.384 4.170 -0.000 0.000 0.242 256 I C 1.594 177.849 176.117 0.230 0.000 1.087 256 I CA 1.372 62.795 61.300 0.204 0.000 1.393 256 I CB -2.216 35.950 38.000 0.277 0.000 1.093 256 I HN 0.507 nan 8.210 nan 0.000 0.421 257 G N 0.107 109.080 108.800 0.288 0.000 2.712 257 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.686 257 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.686 257 G C 0.651 175.595 174.900 0.073 0.000 1.321 257 G CA -0.053 45.120 45.100 0.121 0.000 0.813 257 G HN 0.513 nan 8.290 nan 0.000 0.599 258 A N 0.331 122.968 122.820 -0.306 0.000 2.015 258 A HA 0.269 4.589 4.320 -0.000 0.000 0.219 258 A C 2.672 180.254 177.584 -0.003 0.000 1.163 258 A CA 2.711 54.554 52.037 -0.323 0.000 0.646 258 A CB -0.416 18.322 19.000 -0.437 0.000 0.806 258 A HN 1.941 nan 8.150 nan 0.000 0.448 259 S N -0.694 115.010 115.700 0.006 0.000 2.453 259 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 259 S C 1.601 176.247 174.600 0.077 0.000 1.005 259 S CA 1.303 59.524 58.200 0.034 0.000 0.949 259 S CB -0.437 62.773 63.200 0.017 0.000 0.774 259 S HN 0.756 nan 8.310 nan 0.000 0.510 260 N N -1.261 117.515 118.700 0.127 0.000 2.348 260 N HA 0.156 4.896 4.740 -0.000 0.000 0.183 260 N C 1.076 176.690 175.510 0.174 0.000 1.094 260 N CA 0.150 53.279 53.050 0.132 0.000 0.885 260 N CB 0.055 38.620 38.487 0.129 0.000 1.065 260 N HN 0.349 nan 8.380 nan 0.000 0.472 261 F N 2.024 122.056 119.950 0.137 0.000 2.206 261 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 261 F C 2.203 178.059 175.800 0.093 0.000 1.090 261 F CA 1.185 59.282 58.000 0.161 0.000 1.323 261 F CB -0.179 39.054 39.000 0.388 0.000 1.028 261 F HN -0.140 nan 8.300 nan 0.000 0.492 262 T N -0.547 114.164 114.554 0.263 0.000 2.821 262 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 262 T C 2.095 176.787 174.700 -0.013 0.000 1.046 262 T CA 1.299 63.467 62.100 0.112 0.000 1.139 262 T CB -0.973 67.961 68.868 0.111 0.000 0.871 262 T HN 0.424 nan 8.240 nan 0.000 0.454 263 G N 0.616 109.416 108.800 0.000 0.000 2.572 263 G HA2 0.154 4.114 3.960 -0.000 0.000 0.216 263 G HA3 0.154 4.114 3.960 -0.000 0.000 0.216 263 G C 1.664 176.510 174.900 -0.090 0.000 1.133 263 G CA 0.643 45.725 45.100 -0.030 0.000 0.791 263 G HN 0.558 nan 8.290 nan 0.000 0.538 264 A N 0.821 123.555 122.820 -0.142 0.000 2.014 264 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 264 A C 2.264 179.666 177.584 -0.304 0.000 1.163 264 A CA 1.414 53.313 52.037 -0.231 0.000 0.652 264 A CB -0.151 18.683 19.000 -0.276 0.000 0.808 264 A HN 0.342 nan 8.150 nan 0.000 0.449 265 K N -0.083 120.125 120.400 -0.320 0.000 2.062 265 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 265 K C 1.746 178.229 176.600 -0.196 0.000 1.051 265 K CA 1.011 57.125 56.287 -0.289 0.000 0.941 265 K CB -0.118 32.218 32.500 -0.274 0.000 0.719 265 K HN 0.180 nan 8.250 nan 0.000 0.440 266 K N 0.735 121.050 120.400 -0.142 0.000 2.113 266 K HA -0.151 4.168 4.320 -0.000 0.000 0.208 266 K C 1.604 178.158 176.600 -0.077 0.000 1.047 266 K CA 0.813 57.047 56.287 -0.089 0.000 0.928 266 K CB -0.675 31.794 32.500 -0.053 0.000 0.716 266 K HN 0.161 nan 8.250 nan 0.000 0.446 267 C N 1.520 120.737 119.300 -0.140 0.000 2.554 267 C HA 0.305 4.765 4.460 -0.000 0.000 0.434 267 C C 1.396 176.239 174.990 -0.246 0.000 1.316 267 C CA -0.232 58.668 59.018 -0.196 0.000 1.671 267 C CB -2.117 25.410 27.740 -0.356 0.000 2.172 267 C HN 0.346 nan 8.230 nan 0.000 0.601 268 L N -1.324 119.815 121.223 -0.141 0.000 2.598 268 L HA 0.054 4.394 4.340 -0.000 0.000 0.284 268 L C 1.953 178.756 176.870 -0.112 0.000 1.073 268 L CA 0.299 55.061 54.840 -0.130 0.000 1.361 268 L CB -0.443 41.508 42.059 -0.181 0.000 2.544 268 L HN 0.149 nan 8.230 nan 0.000 0.561 269 V N 0.888 120.723 119.914 -0.131 0.000 2.270 269 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 269 V C 1.893 177.915 176.094 -0.120 0.000 1.043 269 V CA 2.557 64.772 62.300 -0.142 0.000 1.014 269 V CB -0.643 31.099 31.823 -0.134 0.000 0.645 269 V HN 0.448 nan 8.190 nan 0.000 0.447 270 N N -0.092 118.562 118.700 -0.078 0.000 2.289 270 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 270 N C 1.732 177.085 175.510 -0.262 0.000 1.016 270 N CA 0.985 53.963 53.050 -0.120 0.000 0.872 270 N CB -0.104 38.373 38.487 -0.017 0.000 0.973 270 N HN 0.319 nan 8.380 nan 0.000 0.433 271 L N 1.632 122.789 121.223 -0.111 0.000 2.005 271 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 271 L C 1.910 178.724 176.870 -0.094 0.000 1.072 271 L CA 1.334 56.117 54.840 -0.094 0.000 0.744 271 L CB -0.465 41.691 42.059 0.161 0.000 0.895 271 L HN 0.100 nan 8.230 nan 0.000 0.433 272 I N -0.265 120.271 120.570 -0.058 0.000 2.248 272 I HA -0.297 3.872 4.170 -0.000 0.000 0.248 272 I C 2.463 178.540 176.117 -0.066 0.000 1.107 272 I CA 1.563 62.838 61.300 -0.042 0.000 1.373 272 I CB -0.406 37.435 38.000 -0.266 0.000 1.055 272 I HN 0.405 nan 8.210 nan 0.000 0.418 273 E N 1.663 121.787 120.200 -0.127 0.000 2.072 273 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 273 E C 2.096 178.621 176.600 -0.125 0.000 0.985 273 E CA 1.524 57.848 56.400 -0.127 0.000 0.801 273 E CB -0.124 29.488 29.700 -0.148 0.000 0.750 273 E HN 0.258 nan 8.360 nan 0.000 0.452 274 K N -0.627 119.656 120.400 -0.195 0.000 2.366 274 K HA 0.017 4.337 4.320 -0.000 0.000 0.198 274 K C 1.560 178.137 176.600 -0.037 0.000 1.044 274 K CA 0.681 56.858 56.287 -0.184 0.000 0.973 274 K CB 0.277 32.525 32.500 -0.420 0.000 0.767 274 K HN 0.058 nan 8.250 nan 0.000 0.475 275 V N 0.322 120.215 119.914 -0.036 0.000 2.599 275 V HA -0.040 4.080 4.120 -0.000 0.000 0.245 275 V C 2.093 178.234 176.094 0.078 0.000 1.046 275 V CA 1.616 63.922 62.300 0.010 0.000 1.065 275 V CB 0.215 32.065 31.823 0.045 0.000 0.703 275 V HN 0.362 nan 8.190 nan 0.000 0.464 276 A N 0.709 123.567 122.820 0.063 0.000 2.067 276 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 276 A C 2.441 180.042 177.584 0.028 0.000 1.156 276 A CA 1.536 53.606 52.037 0.055 0.000 0.683 276 A CB -0.507 18.511 19.000 0.029 0.000 0.808 276 A HN 0.645 nan 8.150 nan 0.000 0.455 277 S N -1.458 114.251 115.700 0.015 0.000 2.419 277 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 277 S C 1.635 176.191 174.600 -0.073 0.000 1.016 277 S CA 1.196 59.363 58.200 -0.054 0.000 0.974 277 S CB -0.732 62.405 63.200 -0.104 0.000 0.786 277 S HN 0.547 nan 8.310 nan 0.000 0.492 278 Y N 1.987 122.228 120.300 -0.098 0.000 2.519 278 Y HA 0.324 4.874 4.550 -0.000 0.000 0.287 278 Y C 2.255 178.124 175.900 -0.053 0.000 1.128 278 Y CA 0.215 58.267 58.100 -0.080 0.000 1.282 278 Y CB -0.197 38.219 38.460 -0.073 0.000 1.027 278 Y HN 0.485 nan 8.280 nan 0.000 0.551 279 G N -0.882 107.968 108.800 0.083 0.000 2.254 279 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.225 279 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.225 279 G C 0.147 175.075 174.900 0.046 0.000 1.003 279 G CA 0.004 45.128 45.100 0.039 0.000 0.622 279 G HN 0.059 nan 8.290 nan 0.000 0.507 280 V N 1.361 121.313 119.914 0.063 0.000 2.901 280 V HA 0.313 4.433 4.120 -0.000 0.000 0.307 280 V C 0.713 176.824 176.094 0.029 0.000 1.084 280 V CA 0.947 63.267 62.300 0.032 0.000 1.184 280 V CB 1.212 33.041 31.823 0.011 0.000 0.941 280 V HN 0.370 nan 8.190 nan 0.000 0.493 281 K N 4.814 125.222 120.400 0.013 0.000 2.562 281 K HA 0.389 4.709 4.320 -0.000 0.000 0.206 281 K C -2.670 173.919 176.600 -0.019 0.000 1.033 281 K CA -1.357 54.946 56.287 0.026 0.000 1.029 281 K CB 1.048 33.567 32.500 0.032 0.000 1.393 281 K HN 0.457 nan 8.250 nan 0.000 0.539 282 P HA 0.179 nan 4.420 nan 0.000 0.278 282 P C -0.690 176.483 177.300 -0.210 0.000 1.238 282 P CA -0.628 62.323 63.100 -0.249 0.000 0.794 282 P CB 0.706 32.084 31.700 -0.537 0.000 0.955 283 R N 2.386 122.776 120.500 -0.184 0.000 2.612 283 R HA 0.190 4.530 4.340 -0.000 0.000 0.273 283 R C -0.237 175.979 176.300 -0.139 0.000 1.376 283 R CA -0.279 55.772 56.100 -0.082 0.000 1.171 283 R CB -0.659 29.612 30.300 -0.048 0.000 1.151 283 R HN 0.508 nan 8.270 nan 0.000 0.560 284 Y N 0.394 120.671 120.300 -0.038 0.000 2.702 284 Y HA 0.088 4.638 4.550 -0.000 0.000 0.336 284 Y C 1.488 177.365 175.900 -0.038 0.000 1.235 284 Y CA 0.806 58.874 58.100 -0.054 0.000 1.492 284 Y CB 0.817 39.270 38.460 -0.011 0.000 1.308 284 Y HN 0.507 nan 8.280 nan 0.000 0.589 285 G N 3.104 111.961 108.800 0.095 0.000 2.643 285 G HA2 0.540 4.500 3.960 -0.000 0.000 0.305 285 G HA3 0.540 4.500 3.960 -0.000 0.000 0.305 285 G C -2.280 172.736 174.900 0.192 0.000 1.387 285 G CA -0.570 44.613 45.100 0.138 0.000 0.982 285 G HN 0.434 nan 8.290 nan 0.000 0.501 286 L N 3.002 124.349 121.223 0.207 0.000 2.404 286 L HA 0.726 5.066 4.340 -0.000 0.000 0.272 286 L C -1.054 176.004 176.870 0.315 0.000 0.980 286 L CA -0.869 54.083 54.840 0.187 0.000 0.836 286 L CB 1.986 44.081 42.059 0.060 0.000 1.238 286 L HN 0.298 nan 8.230 nan 0.000 0.408 287 V N 3.360 123.461 119.914 0.311 0.000 2.488 287 V HA 0.445 4.565 4.120 -0.000 0.000 0.293 287 V C -0.036 176.310 176.094 0.419 0.000 1.027 287 V CA -0.471 62.064 62.300 0.392 0.000 0.862 287 V CB 2.019 34.015 31.823 0.288 0.000 1.008 287 V HN 0.812 nan 8.190 nan 0.000 0.428 288 T N 2.553 117.440 114.554 0.556 0.000 2.817 288 T HA 0.709 5.059 4.350 -0.000 0.000 0.293 288 T C -0.684 174.363 174.700 0.579 0.000 0.964 288 T CA -0.379 62.048 62.100 0.545 0.000 1.085 288 T CB 0.980 70.210 68.868 0.604 0.000 0.921 288 T HN 0.777 nan 8.240 nan 0.000 0.502 289 Y N 1.214 121.680 120.300 0.276 0.000 2.576 289 Y HA 0.880 5.429 4.550 -0.000 0.000 0.346 289 Y C -0.015 175.839 175.900 -0.077 0.000 1.018 289 Y CA -1.150 57.005 58.100 0.091 0.000 1.050 289 Y CB 1.349 39.851 38.460 0.069 0.000 1.280 289 Y HN 0.815 nan 8.280 nan 0.000 0.474 290 A N 1.351 123.950 122.820 -0.368 0.000 1.677 290 A HA 0.273 4.593 4.320 -0.000 0.000 0.149 290 A C 1.005 178.475 177.584 -0.190 0.000 1.624 290 A CA 0.717 52.492 52.037 -0.436 0.000 1.596 290 A CB -0.185 18.482 19.000 -0.555 0.000 1.396 290 A HN 0.725 nan 8.150 nan 0.000 1.088 291 T N -1.042 113.388 114.554 -0.206 0.000 3.018 291 T HA 0.340 4.690 4.350 -0.000 0.000 0.246 291 T C -0.747 173.652 174.700 -0.500 0.000 1.026 291 T CA 0.736 62.673 62.100 -0.272 0.000 1.081 291 T CB -0.026 68.711 68.868 -0.218 0.000 0.970 291 T HN 0.310 nan 8.240 nan 0.000 0.475 292 Y N 1.321 121.591 120.300 -0.050 0.000 2.331 292 Y HA 0.432 4.982 4.550 -0.000 0.000 0.326 292 Y C -2.716 173.207 175.900 0.038 0.000 1.020 292 Y CA -2.886 55.219 58.100 0.008 0.000 1.136 292 Y CB 1.288 39.755 38.460 0.012 0.000 1.157 292 Y HN -0.032 nan 8.280 nan 0.000 0.444 293 P HA 0.084 nan 4.420 nan 0.000 0.271 293 P C -0.877 176.580 177.300 0.261 0.000 1.238 293 P CA -0.503 62.760 63.100 0.271 0.000 0.794 293 P CB 0.740 32.569 31.700 0.215 0.000 0.959 294 K N 1.646 122.217 120.400 0.286 0.000 2.616 294 K HA 0.344 4.664 4.320 -0.000 0.000 0.241 294 K C -1.006 175.621 176.600 0.046 0.000 0.961 294 K CA -0.597 55.752 56.287 0.103 0.000 0.942 294 K CB 0.166 32.676 32.500 0.017 0.000 1.153 294 K HN 0.215 nan 8.250 nan 0.000 0.452 295 I N 4.820 125.412 120.570 0.035 0.000 2.576 295 I HA -0.003 4.167 4.170 -0.000 0.000 0.288 295 I C 0.446 176.581 176.117 0.030 0.000 1.126 295 I CA 0.088 61.449 61.300 0.102 0.000 1.362 295 I CB 0.055 38.119 38.000 0.105 0.000 1.419 295 I HN 0.705 nan 8.210 nan 0.000 0.533 296 W N 4.685 126.035 121.300 0.082 0.000 2.488 296 W HA 0.154 4.814 4.660 -0.000 0.000 0.304 296 W C 0.421 176.977 176.519 0.062 0.000 1.175 296 W CA 0.509 57.878 57.345 0.040 0.000 1.365 296 W CB -0.197 29.251 29.460 -0.021 0.000 1.131 296 W HN 0.109 nan 8.180 nan 0.000 0.520 297 V N 1.258 121.365 119.914 0.322 0.000 2.588 297 V HA 0.297 4.417 4.120 -0.000 0.000 0.304 297 V C -0.269 175.977 176.094 0.254 0.000 1.042 297 V CA -1.522 60.946 62.300 0.280 0.000 0.877 297 V CB 1.665 33.610 31.823 0.203 0.000 0.996 297 V HN -0.162 nan 8.190 nan 0.000 0.425 298 K N 2.059 122.607 120.400 0.246 0.000 2.110 298 K HA 0.442 4.762 4.320 -0.000 0.000 0.263 298 K C 0.599 177.308 176.600 0.181 0.000 0.975 298 K CA -0.642 55.764 56.287 0.199 0.000 0.895 298 K CB 2.137 34.737 32.500 0.166 0.000 1.060 298 K HN 0.603 nan 8.250 nan 0.000 0.448 299 V N -0.963 119.046 119.914 0.159 0.000 3.602 299 V HA -0.052 4.068 4.120 -0.000 0.000 0.289 299 V C 0.918 177.080 176.094 0.115 0.000 1.265 299 V CA 1.111 63.477 62.300 0.110 0.000 1.202 299 V CB -0.976 30.892 31.823 0.075 0.000 1.012 299 V HN 0.782 nan 8.190 nan 0.000 0.431 300 S N -1.805 113.968 115.700 0.121 0.000 2.589 300 S HA 0.278 4.748 4.470 -0.000 0.000 0.235 300 S C 0.574 175.224 174.600 0.083 0.000 1.051 300 S CA -0.399 57.862 58.200 0.101 0.000 0.978 300 S CB -0.074 63.186 63.200 0.100 0.000 0.929 300 S HN 0.666 nan 8.310 nan 0.000 0.523 301 E N 1.120 121.377 120.200 0.096 0.000 2.428 301 E HA 0.432 4.782 4.350 -0.000 0.000 0.257 301 E C 0.832 177.455 176.600 0.038 0.000 1.197 301 E CA 0.215 56.655 56.400 0.067 0.000 0.974 301 E CB 0.349 30.105 29.700 0.094 0.000 0.976 301 E HN 0.404 nan 8.360 nan 0.000 0.463 302 A N 1.277 124.089 122.820 -0.013 0.000 2.178 302 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 302 A C 0.786 178.333 177.584 -0.062 0.000 1.157 302 A CA 0.486 52.505 52.037 -0.030 0.000 0.780 302 A CB 0.188 19.160 19.000 -0.047 0.000 0.828 302 A HN 0.417 nan 8.150 nan 0.000 0.476 303 D N -0.285 120.040 120.400 -0.125 0.000 2.369 303 D HA 0.017 4.656 4.640 -0.000 0.000 0.211 303 D C 1.563 177.928 176.300 0.108 0.000 1.077 303 D CA 0.914 54.782 54.000 -0.220 0.000 0.842 303 D CB 0.194 40.479 40.800 -0.858 0.000 0.947 303 D HN 0.502 nan 8.370 nan 0.000 0.509 304 S N -0.363 115.446 115.700 0.182 0.000 2.660 304 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 304 S C 1.512 176.268 174.600 0.260 0.000 0.963 304 S CA 0.222 58.598 58.200 0.294 0.000 0.932 304 S CB -0.155 63.176 63.200 0.217 0.000 0.775 304 S HN 0.103 nan 8.310 nan 0.000 0.531 305 S N -0.079 115.737 115.700 0.194 0.000 2.603 305 S HA 0.281 4.751 4.470 -0.000 0.000 0.232 305 S C 0.138 174.837 174.600 0.165 0.000 1.016 305 S CA -0.583 57.720 58.200 0.171 0.000 0.976 305 S CB -0.364 62.891 63.200 0.091 0.000 0.921 305 S HN 0.349 nan 8.310 nan 0.000 0.516 306 N N 2.169 120.976 118.700 0.178 0.000 2.645 306 N HA 0.571 5.311 4.740 -0.000 0.000 0.233 306 N C 1.027 176.628 175.510 0.152 0.000 1.058 306 N CA 0.204 53.343 53.050 0.148 0.000 0.942 306 N CB 1.022 39.583 38.487 0.123 0.000 1.210 306 N HN 0.276 nan 8.380 nan 0.000 0.512 307 A N 3.140 126.001 122.820 0.068 0.000 1.917 307 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 307 A C 1.575 179.119 177.584 -0.067 0.000 1.182 307 A CA 1.654 53.650 52.037 -0.068 0.000 0.633 307 A CB -0.275 18.689 19.000 -0.061 0.000 0.819 307 A HN 0.639 nan 8.150 nan 0.000 0.448 308 D N -1.888 118.515 120.400 0.006 0.000 2.182 308 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 308 D C 1.513 177.850 176.300 0.062 0.000 0.986 308 D CA 1.381 55.388 54.000 0.012 0.000 0.847 308 D CB -0.328 40.491 40.800 0.031 0.000 0.942 308 D HN 0.826 nan 8.370 nan 0.000 0.467 309 W N 1.101 122.360 121.300 -0.068 0.000 2.481 309 W HA -0.054 4.606 4.660 -0.000 0.000 0.293 309 W C 2.014 178.491 176.519 -0.070 0.000 1.201 309 W CA 0.530 57.846 57.345 -0.048 0.000 1.328 309 W CB -0.355 29.094 29.460 -0.018 0.000 1.112 309 W HN -0.270 nan 8.180 nan 0.000 0.546 310 V N 0.846 120.662 119.914 -0.163 0.000 2.392 310 V HA -0.350 3.770 4.120 -0.000 0.000 0.249 310 V C 2.179 178.012 176.094 -0.435 0.000 1.059 310 V CA 2.510 64.559 62.300 -0.419 0.000 1.051 310 V CB -1.516 30.096 31.823 -0.353 0.000 0.658 310 V HN 0.219 nan 8.190 nan 0.000 0.455 311 T N -0.386 113.971 114.554 -0.329 0.000 2.777 311 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 311 T C 1.940 176.477 174.700 -0.271 0.000 1.040 311 T CA 1.761 63.691 62.100 -0.283 0.000 1.141 311 T CB -0.200 68.543 68.868 -0.207 0.000 0.868 311 T HN 0.527 nan 8.240 nan 0.000 0.444 312 K N 0.719 120.964 120.400 -0.258 0.000 2.032 312 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 312 K C 2.380 178.797 176.600 -0.304 0.000 1.048 312 K CA 1.261 57.413 56.287 -0.226 0.000 0.927 312 K CB -0.061 32.346 32.500 -0.155 0.000 0.712 312 K HN 0.203 nan 8.250 nan 0.000 0.441 313 Q N 0.779 120.292 119.800 -0.478 0.000 2.002 313 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 313 Q C 2.271 177.950 176.000 -0.534 0.000 0.988 313 Q CA 1.332 56.850 55.803 -0.475 0.000 0.843 313 Q CB -0.635 27.742 28.738 -0.602 0.000 0.908 313 Q HN 0.341 nan 8.270 nan 0.000 0.420 314 L N 1.766 122.688 121.223 -0.503 0.000 2.042 314 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 314 L C 1.877 178.522 176.870 -0.376 0.000 1.076 314 L CA 1.991 56.544 54.840 -0.480 0.000 0.749 314 L CB -0.878 40.956 42.059 -0.374 0.000 0.893 314 L HN 0.175 nan 8.230 nan 0.000 0.432 315 N N -0.167 118.360 118.700 -0.289 0.000 2.244 315 N HA -0.229 4.511 4.740 -0.000 0.000 0.183 315 N C 1.857 177.267 175.510 -0.166 0.000 1.016 315 N CA 1.450 54.381 53.050 -0.197 0.000 0.866 315 N CB -0.076 38.318 38.487 -0.155 0.000 0.980 315 N HN 0.640 nan 8.380 nan 0.000 0.430 316 E N -0.401 119.678 120.200 -0.202 0.000 2.371 316 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 316 E C -0.006 176.502 176.600 -0.153 0.000 1.012 316 E CA -0.160 56.163 56.400 -0.129 0.000 0.860 316 E CB 0.113 29.766 29.700 -0.078 0.000 0.811 316 E HN 0.344 nan 8.360 nan 0.000 0.502 317 I N 3.297 123.648 120.570 -0.364 0.000 2.792 317 I HA -0.112 4.058 4.170 -0.000 0.000 0.284 317 I C 0.350 176.458 176.117 -0.015 0.000 1.166 317 I CA 0.052 61.110 61.300 -0.403 0.000 1.375 317 I CB -0.320 37.293 38.000 -0.644 0.000 1.421 317 I HN 0.092 nan 8.210 nan 0.000 0.544 318 N N 5.819 124.566 118.700 0.078 0.000 2.499 318 N HA -0.012 4.728 4.740 -0.000 0.000 0.281 318 N C 0.688 176.245 175.510 0.078 0.000 1.098 318 N CA -0.092 53.026 53.050 0.114 0.000 0.979 318 N CB 0.796 39.336 38.487 0.089 0.000 1.121 318 N HN 0.451 nan 8.380 nan 0.000 0.466 319 Y N 3.213 123.453 120.300 -0.101 0.000 2.030 319 Y HA -0.253 4.297 4.550 -0.000 0.000 0.272 319 Y C 1.038 176.695 175.900 -0.405 0.000 1.185 319 Y CA 1.952 59.711 58.100 -0.569 0.000 1.120 319 Y CB 0.174 38.384 38.460 -0.418 0.000 0.955 319 Y HN 0.655 nan 8.280 nan 0.000 0.495 320 E N 0.334 120.606 120.200 0.121 0.000 2.335 320 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 320 E C 0.954 177.538 176.600 -0.027 0.000 1.150 320 E CA 0.297 56.755 56.400 0.097 0.000 1.001 320 E CB -0.180 29.598 29.700 0.130 0.000 1.127 320 E HN 0.511 nan 8.360 nan 0.000 0.462 321 D N 1.626 121.945 120.400 -0.135 0.000 2.123 321 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 321 D C 0.289 176.463 176.300 -0.209 0.000 0.992 321 D CA 1.097 54.990 54.000 -0.177 0.000 0.833 321 D CB 0.199 40.871 40.800 -0.214 0.000 0.954 321 D HN 0.488 nan 8.370 nan 0.000 0.455 322 H N -1.824 117.225 119.070 -0.036 0.000 2.991 322 H HA 0.354 4.910 4.556 -0.000 0.000 0.304 322 H C 0.365 175.661 175.328 -0.054 0.000 1.040 322 H CA -0.598 55.435 56.048 -0.025 0.000 1.410 322 H CB 1.450 31.215 29.762 0.004 0.000 1.529 322 H HN -0.092 nan 8.280 nan 0.000 0.509 323 K N 2.412 122.880 120.400 0.112 0.000 2.354 323 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 323 K C 0.669 177.308 176.600 0.065 0.000 1.045 323 K CA -0.056 56.279 56.287 0.081 0.000 1.026 323 K CB 0.529 33.080 32.500 0.085 0.000 0.866 323 K HN 0.314 nan 8.250 nan 0.000 0.530 324 L N 1.663 122.928 121.223 0.069 0.000 2.027 324 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 324 L C 0.519 177.419 176.870 0.049 0.000 1.074 324 L CA 1.689 56.562 54.840 0.055 0.000 0.745 324 L CB -0.101 41.992 42.059 0.057 0.000 0.898 324 L HN -0.032 nan 8.230 nan 0.000 0.433 325 K N -0.401 120.030 120.400 0.052 0.000 2.403 325 K HA 0.175 4.495 4.320 -0.000 0.000 0.235 325 K C 1.056 177.639 176.600 -0.028 0.000 1.142 325 K CA 0.233 56.538 56.287 0.031 0.000 1.114 325 K CB 0.250 32.798 32.500 0.079 0.000 1.777 325 K HN 0.085 nan 8.250 nan 0.000 0.424 326 S N -0.195 115.496 115.700 -0.016 0.000 2.653 326 S HA -0.041 4.429 4.470 -0.000 0.000 0.233 326 S C 1.127 175.697 174.600 -0.048 0.000 0.970 326 S CA -0.292 57.888 58.200 -0.033 0.000 0.947 326 S CB -0.308 62.893 63.200 0.000 0.000 0.771 326 S HN 0.512 nan 8.310 nan 0.000 0.538 327 G N 0.575 109.345 108.800 -0.050 0.000 2.690 327 G HA2 0.366 4.326 3.960 -0.000 0.000 0.239 327 G HA3 0.366 4.326 3.960 -0.000 0.000 0.239 327 G C -0.316 174.549 174.900 -0.058 0.000 1.233 327 G CA -0.226 44.846 45.100 -0.045 0.000 0.847 327 G HN 0.325 nan 8.290 nan 0.000 0.588 328 T N 0.456 115.011 114.554 0.001 0.000 3.514 328 T HA 0.158 4.508 4.350 -0.000 0.000 0.259 328 T C 0.351 175.169 174.700 0.197 0.000 1.466 328 T CA -0.458 61.681 62.100 0.065 0.000 1.562 328 T CB -0.340 68.581 68.868 0.089 0.000 0.924 328 T HN 0.610 nan 8.240 nan 0.000 0.678 329 N N 1.397 120.185 118.700 0.147 0.000 2.549 329 N HA 0.046 4.786 4.740 -0.000 0.000 0.267 329 N C 1.035 176.628 175.510 0.139 0.000 1.182 329 N CA -0.083 53.029 53.050 0.103 0.000 1.019 329 N CB 0.455 38.915 38.487 -0.045 0.000 1.380 329 N HN 0.178 nan 8.380 nan 0.000 0.505 330 T N 2.127 116.717 114.554 0.059 0.000 2.896 330 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 330 T C 1.796 176.324 174.700 -0.286 0.000 1.050 330 T CA 0.717 62.678 62.100 -0.232 0.000 1.140 330 T CB 0.025 68.778 68.868 -0.192 0.000 0.877 330 T HN 0.512 nan 8.240 nan 0.000 0.457 331 K N 1.130 121.404 120.400 -0.211 0.000 2.113 331 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 331 K C 2.259 178.770 176.600 -0.148 0.000 1.047 331 K CA 1.457 57.638 56.287 -0.176 0.000 0.928 331 K CB -0.038 32.381 32.500 -0.136 0.000 0.716 331 K HN 0.021 nan 8.250 nan 0.000 0.446 332 K N 0.651 120.974 120.400 -0.128 0.000 2.103 332 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 332 K C 1.727 178.268 176.600 -0.098 0.000 1.052 332 K CA 1.433 57.664 56.287 -0.094 0.000 0.945 332 K CB -0.416 32.036 32.500 -0.080 0.000 0.722 332 K HN 0.236 nan 8.250 nan 0.000 0.443 333 A N 0.813 123.517 122.820 -0.193 0.000 1.858 333 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 333 A C 2.213 179.701 177.584 -0.160 0.000 1.190 333 A CA 1.700 53.597 52.037 -0.234 0.000 0.617 333 A CB -0.794 17.779 19.000 -0.711 0.000 0.827 333 A HN 0.313 nan 8.150 nan 0.000 0.443 334 L N -0.739 120.367 121.223 -0.195 0.000 2.201 334 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 334 L C 2.814 179.641 176.870 -0.070 0.000 1.105 334 L CA 1.490 56.255 54.840 -0.125 0.000 0.775 334 L CB -0.492 41.484 42.059 -0.138 0.000 0.913 334 L HN 0.613 nan 8.230 nan 0.000 0.440 335 Q N 0.332 120.084 119.800 -0.080 0.000 2.170 335 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 335 Q C 2.243 178.250 176.000 0.011 0.000 0.976 335 Q CA 1.647 57.415 55.803 -0.058 0.000 0.858 335 Q CB 0.031 28.722 28.738 -0.080 0.000 0.907 335 Q HN 0.532 nan 8.270 nan 0.000 0.433 336 A N -0.303 122.525 122.820 0.015 0.000 1.930 336 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 336 A C 2.135 179.758 177.584 0.065 0.000 1.176 336 A CA 1.041 53.111 52.037 0.054 0.000 0.632 336 A CB -0.446 18.594 19.000 0.067 0.000 0.819 336 A HN 0.278 nan 8.150 nan 0.000 0.445 337 V N -1.125 118.807 119.914 0.030 0.000 2.469 337 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 337 V C 2.308 178.353 176.094 -0.081 0.000 1.064 337 V CA 2.055 64.338 62.300 -0.028 0.000 1.066 337 V CB -1.145 30.606 31.823 -0.120 0.000 0.667 337 V HN 0.718 nan 8.190 nan 0.000 0.461 338 Y N 1.443 121.654 120.300 -0.148 0.000 2.207 338 Y HA -0.272 4.278 4.550 -0.000 0.000 0.287 338 Y C 2.683 178.501 175.900 -0.137 0.000 1.156 338 Y CA 1.976 59.977 58.100 -0.167 0.000 1.182 338 Y CB -0.127 38.242 38.460 -0.152 0.000 0.979 338 Y HN 0.248 nan 8.280 nan 0.000 0.521 339 S N -0.060 115.671 115.700 0.052 0.000 2.406 339 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 339 S C 1.911 176.501 174.600 -0.017 0.000 1.020 339 S CA 1.249 59.452 58.200 0.005 0.000 0.965 339 S CB -0.251 62.989 63.200 0.067 0.000 0.798 339 S HN 0.421 nan 8.310 nan 0.000 0.488 340 M N 1.694 121.321 119.600 0.045 0.000 2.106 340 M HA -0.107 4.373 4.480 -0.000 0.000 0.259 340 M C 2.173 178.565 176.300 0.154 0.000 1.068 340 M CA 1.603 57.001 55.300 0.164 0.000 1.100 340 M CB -1.188 31.628 32.600 0.359 0.000 1.351 340 M HN 0.526 nan 8.290 nan 0.000 0.404 341 M N -2.860 116.745 119.600 0.008 0.000 2.465 341 M HA 0.182 4.662 4.480 -0.000 0.000 0.249 341 M C 0.861 177.039 176.300 -0.203 0.000 1.130 341 M CA 0.203 55.506 55.300 0.004 0.000 1.067 341 M CB -0.047 32.480 32.600 -0.123 0.000 1.394 341 M HN -0.038 nan 8.290 nan 0.000 0.483 342 S N 3.189 118.654 115.700 -0.391 0.000 2.519 342 S HA 0.151 4.621 4.470 -0.000 0.000 0.320 342 S C -0.135 174.268 174.600 -0.329 0.000 1.179 342 S CA -0.731 57.113 58.200 -0.594 0.000 1.173 342 S CB -0.509 62.384 63.200 -0.511 0.000 1.224 342 S HN 0.421 nan 8.310 nan 0.000 0.542 343 W N 5.578 126.790 121.300 -0.147 0.000 2.148 343 W HA 0.400 5.060 4.660 -0.000 0.000 0.347 343 W C -2.400 174.068 176.519 -0.085 0.000 1.288 343 W CA -2.670 54.609 57.345 -0.109 0.000 1.252 343 W CB -1.017 28.338 29.460 -0.175 0.000 1.156 343 W HN 0.361 nan 8.180 nan 0.000 0.580 344 P HA -0.087 nan 4.420 nan 0.000 0.262 344 P C 0.215 177.628 177.300 0.189 0.000 1.455 344 P CA 0.642 63.825 63.100 0.139 0.000 1.217 344 P CB 0.008 31.771 31.700 0.104 0.000 1.625 345 D N 1.620 122.118 120.400 0.164 0.000 3.624 345 D HA -0.183 4.457 4.640 -0.000 0.000 0.176 345 D C 0.384 176.835 176.300 0.252 0.000 1.162 345 D CA 0.821 54.911 54.000 0.151 0.000 1.089 345 D CB -1.016 39.835 40.800 0.084 0.000 0.579 345 D HN 0.267 nan 8.370 nan 0.000 0.658 346 D N 0.411 120.889 120.400 0.130 0.000 2.358 346 D HA 0.114 4.754 4.640 -0.000 0.000 0.241 346 D C 0.009 176.310 176.300 0.001 0.000 1.094 346 D CA 0.512 54.562 54.000 0.084 0.000 0.907 346 D CB -0.169 40.657 40.800 0.043 0.000 0.893 346 D HN 0.252 nan 8.370 nan 0.000 0.528 347 V N -1.562 118.335 119.914 -0.030 0.000 2.409 347 V HA 0.532 4.652 4.120 -0.000 0.000 0.290 347 V C -2.896 172.889 176.094 -0.515 0.000 1.017 347 V CA -2.416 59.773 62.300 -0.185 0.000 0.841 347 V CB 1.975 33.748 31.823 -0.082 0.000 1.003 347 V HN -0.252 nan 8.190 nan 0.000 0.426 348 P HA 0.430 nan 4.420 nan 0.000 0.276 348 P C -2.451 174.556 177.300 -0.488 0.000 1.253 348 P CA -0.926 61.432 63.100 -1.237 0.000 0.766 348 P CB 0.203 31.190 31.700 -1.188 0.000 0.845 349 P HA -0.019 nan 4.420 nan 0.000 0.272 349 P C 0.016 177.405 177.300 0.148 0.000 1.248 349 P CA -0.247 62.848 63.100 -0.009 0.000 0.799 349 P CB 0.327 32.071 31.700 0.073 0.000 0.997 350 E N 0.949 121.209 120.200 0.100 0.000 2.493 350 E HA 0.009 4.359 4.350 -0.000 0.000 0.255 350 E C 0.587 177.241 176.600 0.089 0.000 0.999 350 E CA 0.483 56.932 56.400 0.081 0.000 0.934 350 E CB -0.554 29.172 29.700 0.044 0.000 0.940 350 E HN 0.731 nan 8.360 nan 0.000 0.473 351 G N 6.876 115.684 108.800 0.013 0.000 2.424 351 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.290 351 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.290 351 G C 0.830 175.656 174.900 -0.123 0.000 0.912 351 G CA 0.627 45.649 45.100 -0.131 0.000 1.142 351 G HN 0.836 nan 8.290 nan 0.000 0.501 352 W N 0.946 122.207 121.300 -0.065 0.000 2.335 352 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 352 W C 1.564 178.093 176.519 0.017 0.000 1.213 352 W CA 1.305 58.642 57.345 -0.013 0.000 1.274 352 W CB -1.365 28.057 29.460 -0.063 0.000 1.148 352 W HN 0.527 nan 8.180 nan 0.000 0.498 353 N N 1.681 119.853 118.700 -0.879 0.000 2.430 353 N HA -0.245 4.495 4.740 -0.000 0.000 0.186 353 N C 1.508 176.741 175.510 -0.463 0.000 1.032 353 N CA 1.770 54.330 53.050 -0.816 0.000 0.893 353 N CB -1.049 36.592 38.487 -1.409 0.000 0.957 353 N HN 0.082 nan 8.380 nan 0.000 0.442 354 R N 0.401 120.752 120.500 -0.249 0.000 2.299 354 R HA 0.177 4.517 4.340 -0.000 0.000 0.197 354 R C -0.380 176.018 176.300 0.163 0.000 0.971 354 R CA 0.208 56.310 56.100 0.004 0.000 1.030 354 R CB -0.775 29.507 30.300 -0.031 0.000 0.932 354 R HN 0.164 nan 8.270 nan 0.000 0.477 355 T N 2.331 116.957 114.554 0.119 0.000 2.869 355 T HA 0.317 4.667 4.350 -0.000 0.000 0.295 355 T C -0.141 174.637 174.700 0.131 0.000 0.987 355 T CA -0.518 61.631 62.100 0.080 0.000 1.109 355 T CB 0.908 69.784 68.868 0.013 0.000 0.932 355 T HN 0.009 nan 8.240 nan 0.000 0.518 356 R N 2.454 122.976 120.500 0.036 0.000 2.459 356 R HA 0.334 4.673 4.340 -0.000 0.000 0.281 356 R C -0.125 176.107 176.300 -0.115 0.000 1.050 356 R CA -0.401 55.744 56.100 0.075 0.000 1.055 356 R CB 0.483 30.792 30.300 0.014 0.000 1.045 356 R HN 0.701 nan 8.270 nan 0.000 0.495 357 H N 0.781 120.009 119.070 0.264 0.000 2.658 357 H HA 0.367 4.923 4.556 -0.000 0.000 0.337 357 H C -0.773 174.732 175.328 0.295 0.000 1.009 357 H CA -0.649 55.595 56.048 0.328 0.000 1.231 357 H CB 2.066 32.022 29.762 0.322 0.000 1.508 357 H HN 0.114 nan 8.280 nan 0.000 0.517 358 V N 6.090 126.263 119.914 0.432 0.000 2.409 358 V HA 0.270 4.390 4.120 -0.000 0.000 0.290 358 V C 0.244 176.615 176.094 0.461 0.000 1.017 358 V CA -0.519 62.010 62.300 0.383 0.000 0.841 358 V CB 1.640 33.636 31.823 0.289 0.000 1.003 358 V HN 0.596 nan 8.190 nan 0.000 0.426 359 I N 5.992 126.797 120.570 0.390 0.000 2.315 359 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 359 I C -0.253 176.078 176.117 0.356 0.000 1.006 359 I CA -0.253 61.251 61.300 0.341 0.000 1.265 359 I CB 1.423 39.526 38.000 0.171 0.000 1.387 359 I HN 0.477 nan 8.210 nan 0.000 0.475 360 I N 7.650 128.424 120.570 0.341 0.000 2.523 360 I HA 0.169 4.339 4.170 -0.000 0.000 0.281 360 I C -0.392 175.903 176.117 0.298 0.000 1.126 360 I CA -0.599 60.920 61.300 0.365 0.000 1.187 360 I CB 0.793 38.969 38.000 0.293 0.000 1.478 360 I HN 0.387 nan 8.210 nan 0.000 0.522 361 L N 6.398 127.793 121.223 0.287 0.000 2.367 361 L HA 0.363 4.703 4.340 -0.000 0.000 0.275 361 L C -0.177 176.874 176.870 0.301 0.000 1.129 361 L CA 0.556 55.539 54.840 0.238 0.000 0.839 361 L CB 0.691 42.846 42.059 0.159 0.000 1.133 361 L HN 0.463 nan 8.230 nan 0.000 0.453 362 M N 5.853 125.614 119.600 0.268 0.000 2.325 362 M HA 0.262 4.742 4.480 -0.000 0.000 0.305 362 M C -0.160 176.290 176.300 0.250 0.000 1.047 362 M CA -0.091 55.366 55.300 0.261 0.000 0.981 362 M CB 0.881 33.555 32.600 0.124 0.000 1.307 362 M HN 0.772 nan 8.290 nan 0.000 0.418 363 T N -0.788 113.923 114.554 0.261 0.000 2.883 363 T HA 0.356 4.706 4.350 -0.000 0.000 0.284 363 T C 0.039 174.856 174.700 0.194 0.000 1.041 363 T CA -0.489 61.758 62.100 0.245 0.000 1.007 363 T CB 1.298 70.354 68.868 0.313 0.000 1.220 363 T HN 0.679 nan 8.240 nan 0.000 0.552 364 D N -0.782 119.719 120.400 0.168 0.000 2.402 364 D HA 0.249 4.889 4.640 -0.000 0.000 0.216 364 D C 1.390 177.768 176.300 0.130 0.000 1.128 364 D CA 0.691 54.773 54.000 0.136 0.000 0.833 364 D CB -0.375 40.493 40.800 0.113 0.000 0.971 364 D HN 0.958 nan 8.370 nan 0.000 0.503 365 G N 1.051 109.948 108.800 0.162 0.000 2.435 365 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.245 365 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.245 365 G C 0.395 175.416 174.900 0.201 0.000 1.073 365 G CA 0.384 45.591 45.100 0.177 0.000 0.638 365 G HN 0.436 nan 8.290 nan 0.000 0.521 366 L N 3.705 125.003 121.223 0.126 0.000 2.617 366 L HA 0.283 4.623 4.340 -0.000 0.000 0.282 366 L C 0.875 177.804 176.870 0.099 0.000 1.174 366 L CA -0.267 54.608 54.840 0.060 0.000 1.016 366 L CB -0.331 41.752 42.059 0.040 0.000 1.337 366 L HN 0.532 nan 8.230 nan 0.000 0.460 367 H N 1.663 120.763 119.070 0.049 0.000 2.505 367 H HA 0.284 4.840 4.556 -0.000 0.000 0.338 367 H C -0.374 174.969 175.328 0.025 0.000 1.057 367 H CA -0.811 55.268 56.048 0.052 0.000 1.202 367 H CB 1.045 30.849 29.762 0.070 0.000 1.466 367 H HN 0.551 nan 8.280 nan 0.000 0.499 368 N N 3.467 122.191 118.700 0.040 0.000 2.414 368 N HA 0.053 4.793 4.740 -0.000 0.000 0.189 368 N C 0.239 175.769 175.510 0.034 0.000 1.039 368 N CA -0.187 52.855 53.050 -0.014 0.000 0.889 368 N CB 0.301 38.780 38.487 -0.012 0.000 1.085 368 N HN 0.328 nan 8.380 nan 0.000 0.442 369 M N 0.843 120.471 119.600 0.046 0.000 2.242 369 M HA 0.337 4.816 4.480 -0.000 0.000 0.344 369 M C 0.606 176.937 176.300 0.053 0.000 1.140 369 M CA 0.242 55.555 55.300 0.021 0.000 1.160 369 M CB 0.984 33.563 32.600 -0.035 0.000 1.491 369 M HN 0.600 nan 8.290 nan 0.000 0.459 370 G N 1.314 110.126 108.800 0.020 0.000 2.685 370 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.387 370 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.387 370 G C -0.255 174.675 174.900 0.049 0.000 1.324 370 G CA -0.642 44.465 45.100 0.012 0.000 0.878 370 G HN 1.029 nan 8.290 nan 0.000 0.527 371 G N -0.956 107.853 108.800 0.016 0.000 3.182 371 G HA2 0.503 4.463 3.960 -0.000 0.000 0.167 371 G HA3 0.503 4.463 3.960 -0.000 0.000 0.167 371 G C -0.609 174.326 174.900 0.058 0.000 1.537 371 G CA 0.977 46.096 45.100 0.032 0.000 1.046 371 G HN 0.923 nan 8.290 nan 0.000 0.580 372 D N -0.104 120.300 120.400 0.007 0.000 2.392 372 D HA 0.435 5.075 4.640 -0.000 0.000 0.228 372 D C -1.710 174.527 176.300 -0.104 0.000 1.074 372 D CA -2.200 51.791 54.000 -0.016 0.000 0.838 372 D CB 1.865 42.678 40.800 0.020 0.000 1.067 372 D HN -0.148 nan 8.370 nan 0.000 0.511 373 P HA -0.092 nan 4.420 nan 0.000 0.229 373 P C 1.494 178.722 177.300 -0.121 0.000 1.150 373 P CA 0.352 63.340 63.100 -0.185 0.000 0.765 373 P CB 0.269 31.817 31.700 -0.253 0.000 0.783 374 I N -0.794 119.722 120.570 -0.090 0.000 2.226 374 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 374 I C 2.302 178.380 176.117 -0.065 0.000 1.100 374 I CA 1.917 63.178 61.300 -0.064 0.000 1.374 374 I CB -1.965 36.010 38.000 -0.042 0.000 1.057 374 I HN 0.095 nan 8.210 nan 0.000 0.413 375 T N 0.772 115.284 114.554 -0.069 0.000 2.803 375 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 375 T C 2.022 176.670 174.700 -0.086 0.000 1.052 375 T CA 1.291 63.348 62.100 -0.072 0.000 1.136 375 T CB -0.152 68.671 68.868 -0.074 0.000 0.864 375 T HN 0.116 nan 8.240 nan 0.000 0.467 376 V N 2.026 121.882 119.914 -0.097 0.000 2.358 376 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 376 V C 2.570 178.626 176.094 -0.063 0.000 1.047 376 V CA 1.236 63.477 62.300 -0.099 0.000 1.035 376 V CB -0.534 31.225 31.823 -0.107 0.000 0.658 376 V HN 0.507 nan 8.190 nan 0.000 0.452 377 I N 0.551 121.084 120.570 -0.062 0.000 2.361 377 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 377 I C 2.065 178.157 176.117 -0.041 0.000 1.133 377 I CA 1.542 62.812 61.300 -0.050 0.000 1.413 377 I CB -1.213 36.754 38.000 -0.056 0.000 1.073 377 I HN 0.355 nan 8.210 nan 0.000 0.424 378 D N 0.569 120.942 120.400 -0.046 0.000 2.234 378 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 378 D C 2.115 178.396 176.300 -0.033 0.000 0.962 378 D CA 0.696 54.671 54.000 -0.041 0.000 0.855 378 D CB 0.047 40.819 40.800 -0.047 0.000 0.951 378 D HN 0.439 nan 8.370 nan 0.000 0.500 379 E N 0.297 120.475 120.200 -0.037 0.000 2.046 379 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 379 E C 2.190 178.843 176.600 0.088 0.000 0.982 379 E CA 0.407 56.796 56.400 -0.019 0.000 0.800 379 E CB 0.066 29.688 29.700 -0.131 0.000 0.756 379 E HN 0.262 nan 8.360 nan 0.000 0.449 380 I N 0.994 121.617 120.570 0.090 0.000 2.454 380 I HA -0.200 3.970 4.170 -0.000 0.000 0.254 380 I C 2.471 178.588 176.117 -0.000 0.000 1.156 380 I CA 0.483 61.810 61.300 0.044 0.000 1.433 380 I CB -0.207 37.781 38.000 -0.021 0.000 1.082 380 I HN 0.005 nan 8.210 nan 0.000 0.432 381 R N 0.929 121.429 120.500 -0.000 0.000 2.159 381 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 381 R C 1.627 177.926 176.300 -0.002 0.000 1.131 381 R CA 1.709 57.806 56.100 -0.006 0.000 0.982 381 R CB -0.494 29.793 30.300 -0.022 0.000 0.868 381 R HN 0.400 nan 8.270 nan 0.000 0.453 382 D N -0.607 119.797 120.400 0.007 0.000 2.323 382 D HA -0.067 4.573 4.640 -0.000 0.000 0.218 382 D C 1.879 178.221 176.300 0.069 0.000 0.973 382 D CA 0.093 54.099 54.000 0.010 0.000 0.890 382 D CB 0.014 40.816 40.800 0.004 0.000 1.011 382 D HN 0.006 nan 8.370 nan 0.000 0.499 383 L N 0.774 122.023 121.223 0.044 0.000 2.012 383 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 383 L C 1.615 178.562 176.870 0.128 0.000 1.073 383 L CA 1.491 56.316 54.840 -0.024 0.000 0.748 383 L CB -0.776 41.131 42.059 -0.253 0.000 0.891 383 L HN 0.190 nan 8.230 nan 0.000 0.431 384 L N -1.164 120.131 121.223 0.120 0.000 2.675 384 L HA -0.086 4.254 4.340 -0.000 0.000 0.239 384 L C 0.378 177.477 176.870 0.382 0.000 1.151 384 L CA -0.054 54.942 54.840 0.260 0.000 0.905 384 L CB -0.736 41.386 42.059 0.106 0.000 1.057 384 L HN 0.276 nan 8.230 nan 0.000 0.435 385 Y N 0.728 121.142 120.300 0.192 0.000 3.078 385 Y HA -0.259 4.291 4.550 -0.000 0.000 0.202 385 Y C -0.002 175.955 175.900 0.095 0.000 1.322 385 Y CA -0.155 58.040 58.100 0.159 0.000 1.118 385 Y CB -1.409 37.186 38.460 0.225 0.000 1.343 385 Y HN 0.144 nan 8.280 nan 0.000 0.499 386 I N 0.715 121.312 120.570 0.044 0.000 2.412 386 I HA 0.461 4.630 4.170 -0.000 0.000 0.296 386 I C 1.349 177.438 176.117 -0.047 0.000 0.987 386 I CA -0.185 61.136 61.300 0.036 0.000 1.180 386 I CB 1.512 39.556 38.000 0.074 0.000 1.340 386 I HN 0.447 nan 8.210 nan 0.000 0.455 387 G N 4.675 113.457 108.800 -0.031 0.000 2.305 387 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.287 387 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.287 387 G C 0.493 175.328 174.900 -0.108 0.000 1.036 387 G CA 0.053 45.123 45.100 -0.049 0.000 0.887 387 G HN 0.602 nan 8.290 nan 0.000 0.505 388 K N -0.328 119.950 120.400 -0.203 0.000 2.501 388 K HA 0.275 4.595 4.320 -0.000 0.000 0.204 388 K C -0.065 176.400 176.600 -0.225 0.000 1.067 388 K CA -0.067 56.047 56.287 -0.288 0.000 1.060 388 K CB 1.073 33.249 32.500 -0.540 0.000 0.873 388 K HN 0.466 nan 8.250 nan 0.000 0.540 389 D N -0.846 119.499 120.400 -0.093 0.000 2.596 389 D HA 0.452 5.092 4.640 -0.000 0.000 0.234 389 D C 0.954 177.269 176.300 0.026 0.000 1.181 389 D CA -0.182 53.830 54.000 0.020 0.000 0.856 389 D CB 1.640 42.526 40.800 0.143 0.000 1.498 389 D HN -0.080 nan 8.370 nan 0.000 0.446 390 R N 1.394 121.916 120.500 0.037 0.000 2.060 390 R HA 0.131 4.471 4.340 -0.000 0.000 0.225 390 R C 1.997 178.318 176.300 0.034 0.000 1.155 390 R CA 2.368 58.485 56.100 0.028 0.000 0.930 390 R CB -1.773 28.543 30.300 0.026 0.000 0.829 390 R HN 0.530 nan 8.270 nan 0.000 0.433 391 K N 0.914 121.339 120.400 0.042 0.000 2.404 391 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 391 K C 0.647 177.280 176.600 0.054 0.000 1.023 391 K CA 0.497 56.809 56.287 0.041 0.000 1.094 391 K CB -0.354 32.167 32.500 0.035 0.000 0.841 391 K HN 0.650 nan 8.250 nan 0.000 0.523 392 N N 0.619 119.362 118.700 0.072 0.000 2.791 392 N HA 0.157 4.897 4.740 -0.000 0.000 0.265 392 N C -2.415 173.160 175.510 0.110 0.000 1.580 392 N CA -1.554 51.553 53.050 0.095 0.000 0.809 392 N CB 1.499 40.050 38.487 0.106 0.000 1.178 392 N HN -0.074 nan 8.380 nan 0.000 0.499 393 P HA -0.057 nan 4.420 nan 0.000 0.217 393 P C -0.327 177.043 177.300 0.116 0.000 1.150 393 P CA 0.785 63.931 63.100 0.076 0.000 0.832 393 P CB 0.223 31.959 31.700 0.060 0.000 0.787 394 R N -1.121 119.486 120.500 0.178 0.000 3.531 394 R HA -0.155 4.185 4.340 -0.000 0.000 0.280 394 R C 0.175 176.650 176.300 0.291 0.000 1.130 394 R CA 0.167 56.446 56.100 0.299 0.000 0.757 394 R CB -1.873 28.550 30.300 0.205 0.000 1.218 394 R HN 0.315 nan 8.270 nan 0.000 0.454 395 E N 0.299 120.606 120.200 0.179 0.000 2.502 395 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 395 E C 0.424 177.080 176.600 0.093 0.000 1.062 395 E CA 0.481 56.949 56.400 0.113 0.000 0.867 395 E CB 0.264 29.997 29.700 0.054 0.000 0.888 395 E HN 0.372 nan 8.360 nan 0.000 0.510 396 D N -0.780 119.672 120.400 0.088 0.000 2.349 396 D HA -0.022 4.618 4.640 -0.000 0.000 0.214 396 D C 0.372 176.540 176.300 -0.221 0.000 1.063 396 D CA 0.269 54.203 54.000 -0.111 0.000 0.847 396 D CB 0.038 40.680 40.800 -0.263 0.000 0.933 396 D HN 0.265 nan 8.370 nan 0.000 0.513 397 Y N 0.154 120.520 120.300 0.111 0.000 2.681 397 Y HA 0.372 4.922 4.550 -0.000 0.000 0.267 397 Y C 0.010 176.032 175.900 0.203 0.000 1.166 397 Y CA -0.535 57.664 58.100 0.165 0.000 1.209 397 Y CB 0.709 39.288 38.460 0.198 0.000 1.161 397 Y HN -0.192 nan 8.280 nan 0.000 0.534 398 L N 1.214 122.578 121.223 0.235 0.000 2.620 398 L HA 0.473 4.813 4.340 -0.000 0.000 0.261 398 L C -1.960 174.967 176.870 0.095 0.000 0.978 398 L CA -0.603 54.344 54.840 0.178 0.000 0.897 398 L CB 1.192 43.323 42.059 0.120 0.000 1.207 398 L HN -0.021 nan 8.230 nan 0.000 0.425 399 D N 4.259 124.744 120.400 0.141 0.000 2.446 399 D HA 0.419 5.059 4.640 -0.000 0.000 0.251 399 D C -0.692 175.655 176.300 0.078 0.000 1.137 399 D CA -0.111 53.945 54.000 0.094 0.000 0.890 399 D CB 1.923 42.903 40.800 0.300 0.000 1.071 399 D HN 0.172 nan 8.370 nan 0.000 0.528 400 V N 3.138 122.988 119.914 -0.107 0.000 2.385 400 V HA 0.246 4.365 4.120 -0.000 0.000 0.269 400 V C -0.549 175.508 176.094 -0.060 0.000 1.043 400 V CA -0.395 61.897 62.300 -0.013 0.000 0.906 400 V CB -0.297 31.496 31.823 -0.050 0.000 0.995 400 V HN 0.406 nan 8.190 nan 0.000 0.467 401 Y N 3.213 123.674 120.300 0.268 0.000 2.360 401 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 401 Y C 0.060 176.115 175.900 0.258 0.000 1.039 401 Y CA -0.838 57.441 58.100 0.297 0.000 1.109 401 Y CB 2.110 40.794 38.460 0.372 0.000 1.201 401 Y HN 0.344 nan 8.280 nan 0.000 0.458 402 V N 4.257 124.354 119.914 0.304 0.000 2.483 402 V HA 0.352 4.472 4.120 -0.000 0.000 0.297 402 V C -1.022 175.170 176.094 0.163 0.000 1.027 402 V CA -1.172 61.281 62.300 0.254 0.000 0.855 402 V CB 1.263 33.173 31.823 0.145 0.000 0.995 402 V HN 0.534 nan 8.190 nan 0.000 0.424 403 F N 2.376 122.451 119.950 0.207 0.000 2.361 403 F HA 0.551 5.077 4.527 -0.000 0.000 0.364 403 F C 1.227 177.109 175.800 0.137 0.000 1.120 403 F CA -0.454 57.653 58.000 0.180 0.000 1.102 403 F CB 1.623 40.691 39.000 0.113 0.000 1.183 403 F HN 0.609 nan 8.300 nan 0.000 0.476 404 G N 4.572 113.506 108.800 0.225 0.000 2.778 404 G HA2 0.370 4.330 3.960 -0.000 0.000 0.287 404 G HA3 0.370 4.330 3.960 -0.000 0.000 0.287 404 G C 0.027 175.029 174.900 0.170 0.000 0.747 404 G CA -0.386 44.815 45.100 0.168 0.000 1.961 404 G HN 0.556 nan 8.290 nan 0.000 0.539 405 V N 1.068 121.090 119.914 0.180 0.000 3.083 405 V HA 0.933 5.053 4.120 -0.000 0.000 0.306 405 V C 0.935 177.106 176.094 0.128 0.000 1.077 405 V CA -0.135 62.255 62.300 0.150 0.000 1.073 405 V CB 0.719 32.627 31.823 0.142 0.000 1.081 405 V HN 1.823 nan 8.190 nan 0.000 0.474 406 G N 2.862 111.732 108.800 0.116 0.000 2.733 406 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 406 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 406 G C -1.723 173.226 174.900 0.081 0.000 1.373 406 G CA -0.158 45.004 45.100 0.103 0.000 0.838 406 G HN 0.870 nan 8.290 nan 0.000 0.588 407 P HA 0.018 nan 4.420 nan 0.000 0.204 407 P C 1.062 178.392 177.300 0.049 0.000 1.012 407 P CA 0.553 63.684 63.100 0.052 0.000 0.835 407 P CB 0.009 31.735 31.700 0.043 0.000 0.603 408 L N 0.378 121.625 121.223 0.041 0.000 2.654 408 L HA 0.058 4.397 4.340 -0.000 0.000 0.271 408 L C 0.494 177.390 176.870 0.043 0.000 1.169 408 L CA 0.519 55.381 54.840 0.036 0.000 0.947 408 L CB -0.942 41.134 42.059 0.028 0.000 1.232 408 L HN -0.042 nan 8.230 nan 0.000 0.486 409 V N 5.596 125.536 119.914 0.044 0.000 2.588 409 V HA 0.383 4.503 4.120 -0.000 0.000 0.304 409 V C 0.238 176.358 176.094 0.042 0.000 1.042 409 V CA -0.959 61.372 62.300 0.053 0.000 0.877 409 V CB 2.164 34.026 31.823 0.066 0.000 0.996 409 V HN 0.807 nan 8.190 nan 0.000 0.425 410 N N 5.617 124.344 118.700 0.044 0.000 2.498 410 N HA 0.123 4.863 4.740 -0.000 0.000 0.277 410 N C 1.101 176.634 175.510 0.039 0.000 1.208 410 N CA 0.231 53.302 53.050 0.034 0.000 1.029 410 N CB 0.763 39.268 38.487 0.029 0.000 1.403 410 N HN 0.728 nan 8.380 nan 0.000 0.500 411 Q N 1.620 121.437 119.800 0.028 0.000 2.096 411 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 411 Q C 1.520 177.530 176.000 0.016 0.000 0.982 411 Q CA 1.226 57.041 55.803 0.020 0.000 0.850 411 Q CB -0.208 28.535 28.738 0.008 0.000 0.901 411 Q HN 0.508 nan 8.270 nan 0.000 0.422 412 V N 1.843 121.765 119.914 0.013 0.000 2.380 412 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 412 V C 2.143 178.248 176.094 0.020 0.000 1.063 412 V CA 2.079 64.385 62.300 0.010 0.000 1.055 412 V CB -0.796 31.031 31.823 0.007 0.000 0.657 412 V HN 0.492 nan 8.190 nan 0.000 0.455 413 N N -0.255 118.468 118.700 0.038 0.000 2.135 413 N HA -0.094 4.645 4.740 -0.000 0.000 0.186 413 N C 1.985 177.528 175.510 0.055 0.000 1.027 413 N CA 1.114 54.202 53.050 0.064 0.000 0.849 413 N CB -0.024 38.529 38.487 0.110 0.000 1.002 413 N HN 0.414 nan 8.380 nan 0.000 0.425 414 I N 1.728 122.330 120.570 0.053 0.000 2.091 414 I HA -0.334 3.836 4.170 -0.000 0.000 0.239 414 I C 1.787 177.913 176.117 0.015 0.000 1.061 414 I CA 1.199 62.527 61.300 0.045 0.000 1.317 414 I CB -0.605 37.423 38.000 0.047 0.000 1.031 414 I HN 0.262 nan 8.210 nan 0.000 0.401 415 N N 1.278 119.978 118.700 -0.001 0.000 2.091 415 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 415 N C 1.830 177.323 175.510 -0.029 0.000 1.021 415 N CA 1.782 54.817 53.050 -0.024 0.000 0.862 415 N CB -0.623 37.847 38.487 -0.028 0.000 1.018 415 N HN 0.431 nan 8.380 nan 0.000 0.429 416 A N 0.973 123.783 122.820 -0.017 0.000 1.940 416 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 416 A C 2.393 179.957 177.584 -0.033 0.000 1.176 416 A CA 1.051 53.075 52.037 -0.023 0.000 0.631 416 A CB -0.683 18.313 19.000 -0.008 0.000 0.814 416 A HN 0.238 nan 8.150 nan 0.000 0.446 417 L N -0.685 120.524 121.223 -0.024 0.000 2.044 417 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 417 L C 1.832 178.674 176.870 -0.047 0.000 1.075 417 L CA 0.312 55.133 54.840 -0.032 0.000 0.747 417 L CB -0.723 41.328 42.059 -0.013 0.000 0.903 417 L HN 0.402 nan 8.230 nan 0.000 0.435 418 A N 0.044 122.839 122.820 -0.043 0.000 2.520 418 A HA 0.070 4.390 4.320 -0.000 0.000 0.235 418 A C 0.568 178.050 177.584 -0.170 0.000 1.065 418 A CA 0.182 52.171 52.037 -0.079 0.000 0.764 418 A CB 0.139 19.109 19.000 -0.049 0.000 1.002 418 A HN 0.195 nan 8.150 nan 0.000 0.502 419 S N 0.333 115.835 115.700 -0.329 0.000 2.549 419 S HA 0.161 4.631 4.470 -0.000 0.000 0.283 419 S C 0.353 174.696 174.600 -0.428 0.000 1.320 419 S CA -0.241 57.690 58.200 -0.448 0.000 1.058 419 S CB 0.044 62.817 63.200 -0.711 0.000 0.882 419 S HN 0.604 nan 8.310 nan 0.000 0.498 420 K N 4.600 124.849 120.400 -0.251 0.000 2.231 420 K HA 0.251 4.571 4.320 -0.000 0.000 0.255 420 K C -0.683 175.842 176.600 -0.126 0.000 1.108 420 K CA -0.277 55.917 56.287 -0.155 0.000 0.997 420 K CB -0.078 32.364 32.500 -0.097 0.000 1.549 420 K HN 0.519 nan 8.250 nan 0.000 0.419 421 K N 2.184 122.518 120.400 -0.110 0.000 2.203 421 K HA 0.242 4.562 4.320 -0.000 0.000 0.251 421 K C -1.017 175.595 176.600 0.020 0.000 0.944 421 K CA -1.063 55.207 56.287 -0.028 0.000 0.829 421 K CB 1.419 33.930 32.500 0.019 0.000 1.125 421 K HN 0.397 nan 8.250 nan 0.000 0.430 422 D N 1.631 122.039 120.400 0.013 0.000 2.382 422 D HA 0.053 4.693 4.640 -0.000 0.000 0.245 422 D C 0.301 176.614 176.300 0.022 0.000 1.120 422 D CA 0.394 54.401 54.000 0.011 0.000 0.890 422 D CB 0.334 41.136 40.800 0.004 0.000 1.201 422 D HN 0.580 nan 8.370 nan 0.000 0.433 423 N N 0.479 119.185 118.700 0.010 0.000 2.708 423 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 423 N C -0.622 174.898 175.510 0.015 0.000 1.123 423 N CA 0.670 53.724 53.050 0.008 0.000 0.739 423 N CB -0.409 38.083 38.487 0.009 0.000 1.113 423 N HN 0.572 nan 8.380 nan 0.000 0.561 424 E N 0.113 120.331 120.200 0.029 0.000 2.359 424 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 424 E C -0.687 175.895 176.600 -0.029 0.000 0.920 424 E CA -0.665 55.749 56.400 0.023 0.000 0.788 424 E CB 1.728 31.500 29.700 0.120 0.000 1.279 424 E HN 0.034 nan 8.360 nan 0.000 0.438 425 Q N 0.507 120.211 119.800 -0.160 0.000 2.333 425 Q HA 0.321 4.661 4.340 -0.000 0.000 0.267 425 Q C -1.184 174.557 176.000 -0.432 0.000 1.012 425 Q CA -0.034 55.618 55.803 -0.251 0.000 0.824 425 Q CB 1.021 29.603 28.738 -0.259 0.000 1.290 425 Q HN 0.647 nan 8.270 nan 0.000 0.449 426 H N 1.273 120.199 119.070 -0.242 0.000 3.540 426 H HA 0.362 4.918 4.556 -0.000 0.000 0.259 426 H C -0.941 174.257 175.328 -0.216 0.000 1.197 426 H CA 0.082 56.022 56.048 -0.181 0.000 1.136 426 H CB 1.353 30.900 29.762 -0.357 0.000 1.605 426 H HN 0.278 nan 8.280 nan 0.000 0.657 427 V N 2.256 121.940 119.914 -0.382 0.000 2.326 427 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 427 V C -1.008 174.716 176.094 -0.616 0.000 1.015 427 V CA -0.472 61.622 62.300 -0.342 0.000 0.823 427 V CB 0.253 31.952 31.823 -0.207 0.000 1.009 427 V HN 0.127 nan 8.190 nan 0.000 0.436 428 F N 4.056 123.816 119.950 -0.316 0.000 2.508 428 F HA 0.683 5.210 4.527 -0.000 0.000 0.325 428 F C 0.559 176.255 175.800 -0.173 0.000 1.090 428 F CA -0.764 57.032 58.000 -0.340 0.000 0.945 428 F CB 1.905 40.474 39.000 -0.718 0.000 1.156 428 F HN 0.375 nan 8.300 nan 0.000 0.463 429 K N 0.432 120.898 120.400 0.110 0.000 2.312 429 K HA 0.657 4.977 4.320 -0.000 0.000 0.236 429 K C 0.371 177.055 176.600 0.139 0.000 1.079 429 K CA -0.868 55.481 56.287 0.104 0.000 0.900 429 K CB 1.024 33.555 32.500 0.051 0.000 1.297 429 K HN 0.286 nan 8.250 nan 0.000 0.498 430 V N 0.787 120.768 119.914 0.112 0.000 2.231 430 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 430 V C 2.413 178.560 176.094 0.087 0.000 1.054 430 V CA 2.363 64.725 62.300 0.103 0.000 1.015 430 V CB -0.713 31.157 31.823 0.079 0.000 0.638 430 V HN 0.823 nan 8.190 nan 0.000 0.444 431 K N 0.601 121.042 120.400 0.069 0.000 2.113 431 K HA -0.221 4.098 4.320 -0.000 0.000 0.208 431 K C 1.626 178.265 176.600 0.064 0.000 1.047 431 K CA 1.856 58.177 56.287 0.056 0.000 0.928 431 K CB -0.735 31.790 32.500 0.042 0.000 0.716 431 K HN 0.524 nan 8.250 nan 0.000 0.446 432 D N -0.182 120.272 120.400 0.090 0.000 2.221 432 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 432 D C 1.725 178.067 176.300 0.070 0.000 0.982 432 D CA 0.903 54.967 54.000 0.107 0.000 0.857 432 D CB -0.080 40.842 40.800 0.203 0.000 0.934 432 D HN 0.205 nan 8.370 nan 0.000 0.475 433 M N 0.787 120.431 119.600 0.073 0.000 2.163 433 M HA -0.140 4.340 4.480 -0.000 0.000 0.258 433 M C 0.612 176.925 176.300 0.022 0.000 1.071 433 M CA 1.216 56.537 55.300 0.036 0.000 1.093 433 M CB -1.232 31.394 32.600 0.043 0.000 1.285 433 M HN 0.054 nan 8.290 nan 0.000 0.420 434 E N 1.985 122.205 120.200 0.034 0.000 2.608 434 E HA -0.095 4.255 4.350 -0.000 0.000 0.259 434 E C -0.095 176.528 176.600 0.039 0.000 0.951 434 E CA 0.008 56.428 56.400 0.034 0.000 0.945 434 E CB -0.147 29.572 29.700 0.032 0.000 0.916 434 E HN 0.289 nan 8.360 nan 0.000 0.477 435 N N 2.254 120.984 118.700 0.050 0.000 2.753 435 N HA -0.208 4.531 4.740 -0.000 0.000 0.252 435 N C 0.356 175.915 175.510 0.082 0.000 1.071 435 N CA 0.395 53.487 53.050 0.070 0.000 0.690 435 N CB -1.533 36.989 38.487 0.059 0.000 0.906 435 N HN 0.536 nan 8.380 nan 0.000 0.552 436 L N 0.046 121.325 121.223 0.094 0.000 2.081 436 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 436 L C 2.225 179.202 176.870 0.178 0.000 1.080 436 L CA 1.460 56.332 54.840 0.053 0.000 0.754 436 L CB -0.159 42.029 42.059 0.215 0.000 0.893 436 L HN 0.289 nan 8.230 nan 0.000 0.433 437 E N 0.260 120.685 120.200 0.375 0.000 2.114 437 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 437 E C 1.738 178.606 176.600 0.448 0.000 1.008 437 E CA 1.659 58.368 56.400 0.515 0.000 0.810 437 E CB -0.351 29.582 29.700 0.388 0.000 0.739 437 E HN 0.565 nan 8.360 nan 0.000 0.456 438 D N -0.012 120.548 120.400 0.266 0.000 2.144 438 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 438 D C 2.140 178.519 176.300 0.131 0.000 0.984 438 D CA 0.642 54.753 54.000 0.186 0.000 0.834 438 D CB -0.303 40.558 40.800 0.102 0.000 0.955 438 D HN 0.044 nan 8.370 nan 0.000 0.465 439 V N 0.588 120.501 119.914 -0.000 0.000 2.270 439 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 439 V C 2.101 178.080 176.094 -0.191 0.000 1.043 439 V CA 1.330 63.505 62.300 -0.207 0.000 1.014 439 V CB -0.728 30.759 31.823 -0.561 0.000 0.645 439 V HN 0.061 nan 8.190 nan 0.000 0.447 440 F N -0.841 119.145 119.950 0.059 0.000 2.202 440 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 440 F C 2.267 178.194 175.800 0.212 0.000 1.082 440 F CA 1.613 59.675 58.000 0.103 0.000 1.313 440 F CB -1.058 38.042 39.000 0.167 0.000 1.024 440 F HN 0.128 nan 8.300 nan 0.000 0.495 441 Y N 1.233 121.684 120.300 0.251 0.000 2.030 441 Y HA -0.364 4.186 4.550 -0.000 0.000 0.274 441 Y C 2.606 178.450 175.900 -0.094 0.000 1.153 441 Y CA 2.139 60.182 58.100 -0.094 0.000 1.115 441 Y CB -0.833 37.426 38.460 -0.335 0.000 0.969 441 Y HN -0.017 nan 8.280 nan 0.000 0.488 442 Q N 0.108 120.089 119.800 0.302 0.000 2.045 442 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 442 Q C 1.929 178.022 176.000 0.154 0.000 0.991 442 Q CA 2.434 58.375 55.803 0.230 0.000 0.851 442 Q CB -0.584 28.311 28.738 0.262 0.000 0.911 442 Q HN 0.760 nan 8.270 nan 0.000 0.418 443 M N -1.080 118.602 119.600 0.136 0.000 2.781 443 M HA 0.288 4.768 4.480 -0.000 0.000 0.208 443 M C -0.702 175.615 176.300 0.027 0.000 1.231 443 M CA 0.570 55.889 55.300 0.032 0.000 1.029 443 M CB 0.029 32.444 32.600 -0.309 0.000 1.753 443 M HN -0.098 nan 8.290 nan 0.000 0.448 444 I N 1.795 122.394 120.570 0.049 0.000 2.649 444 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 444 I C -1.681 174.430 176.117 -0.010 0.000 1.222 444 I CA -0.766 60.546 61.300 0.021 0.000 1.046 444 I CB 2.296 40.356 38.000 0.101 0.000 1.272 444 I HN 0.272 nan 8.210 nan 0.000 0.425 445 D N 5.077 125.471 120.400 -0.010 0.000 2.549 445 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 445 D C -0.556 175.768 176.300 0.040 0.000 1.153 445 D CA -0.695 53.309 54.000 0.007 0.000 0.861 445 D CB 1.310 42.116 40.800 0.009 0.000 1.207 445 D HN 0.457 nan 8.370 nan 0.000 0.543 446 E N 1.386 121.662 120.200 0.127 0.000 2.515 446 E HA 0.046 4.396 4.350 -0.000 0.000 0.315 446 E C 1.104 177.788 176.600 0.140 0.000 1.523 446 E CA -0.286 56.231 56.400 0.195 0.000 1.704 446 E CB 0.428 30.367 29.700 0.397 0.000 1.395 446 E HN 0.412 nan 8.360 nan 0.000 0.490 447 S N 1.509 117.258 115.700 0.083 0.000 2.369 447 S HA -0.277 4.193 4.470 -0.000 0.000 0.225 447 S C 1.626 176.271 174.600 0.075 0.000 1.043 447 S CA 1.656 59.895 58.200 0.066 0.000 1.074 447 S CB 0.098 63.320 63.200 0.037 0.000 0.962 447 S HN 0.303 nan 8.310 nan 0.000 0.433 448 Q N 0.274 120.119 119.800 0.075 0.000 2.280 448 Q HA 0.384 4.724 4.340 -0.000 0.000 0.201 448 Q C 0.332 176.390 176.000 0.096 0.000 0.890 448 Q CA 0.027 55.875 55.803 0.074 0.000 0.947 448 Q CB 0.666 29.436 28.738 0.053 0.000 1.081 448 Q HN 0.348 nan 8.270 nan 0.000 0.502 449 S N -0.127 115.655 115.700 0.137 0.000 2.484 449 S HA 0.274 4.744 4.470 -0.000 0.000 0.242 449 S C 0.656 175.334 174.600 0.131 0.000 1.158 449 S CA -0.124 58.170 58.200 0.157 0.000 1.162 449 S CB 0.092 63.486 63.200 0.323 0.000 0.850 449 S HN 0.319 nan 8.310 nan 0.000 0.477 450 L N 0.907 122.202 121.223 0.121 0.000 2.567 450 L HA 0.107 4.447 4.340 -0.000 0.000 0.225 450 L C 2.067 179.004 176.870 0.113 0.000 1.119 450 L CA 0.404 55.324 54.840 0.134 0.000 0.871 450 L CB -0.021 42.132 42.059 0.156 0.000 1.036 450 L HN 0.438 nan 8.230 nan 0.000 0.459 451 S N -1.289 114.453 115.700 0.070 0.000 2.502 451 S HA 0.160 4.630 4.470 -0.000 0.000 0.215 451 S C 0.612 175.130 174.600 -0.137 0.000 1.009 451 S CA -0.389 57.820 58.200 0.015 0.000 0.908 451 S CB -0.040 63.231 63.200 0.120 0.000 0.801 451 S HN 0.031 nan 8.310 nan 0.000 0.505 452 L N 3.824 124.987 121.223 -0.100 0.000 2.499 452 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 452 L C 1.022 177.790 176.870 -0.170 0.000 1.195 452 L CA -0.545 54.216 54.840 -0.132 0.000 0.882 452 L CB -0.326 41.647 42.059 -0.144 0.000 1.133 452 L HN 0.588 nan 8.230 nan 0.000 0.483 453 c N 0.991 119.496 118.600 -0.158 0.000 2.403 453 c HA 0.760 5.330 4.570 -0.000 0.000 0.361 453 c C 1.513 175.558 174.090 -0.075 0.000 1.274 453 c CA -0.372 55.875 56.329 -0.136 0.000 2.433 453 c CB 0.433 42.855 42.510 -0.146 0.000 2.323 453 c HN 1.229 nan 8.230 nan 0.000 0.614 454 G N 0.791 109.586 108.800 -0.009 0.000 2.233 454 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.270 454 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.270 454 G C -0.243 174.800 174.900 0.237 0.000 1.011 454 G CA 0.921 46.071 45.100 0.084 0.000 0.762 454 G HN 1.147 nan 8.290 nan 0.000 0.511 455 M N 0.352 120.021 119.600 0.115 0.000 2.238 455 M HA 0.652 5.132 4.480 -0.000 0.000 0.350 455 M C -0.602 175.722 176.300 0.039 0.000 1.138 455 M CA -0.589 54.703 55.300 -0.013 0.000 1.040 455 M CB 1.687 34.133 32.600 -0.257 0.000 1.639 455 M HN -0.043 nan 8.290 nan 0.000 0.451 456 V N 4.604 124.531 119.914 0.022 0.000 2.760 456 V HA 0.426 4.546 4.120 -0.000 0.000 0.309 456 V C -1.488 174.590 176.094 -0.027 0.000 1.077 456 V CA -0.636 61.685 62.300 0.036 0.000 0.910 456 V CB 2.064 33.934 31.823 0.078 0.000 1.008 456 V HN 0.920 nan 8.190 nan 0.000 0.424 457 W N 2.375 123.779 121.300 0.173 0.000 2.365 457 W HA 0.510 5.170 4.660 -0.000 0.000 0.316 457 W C 1.045 177.694 176.519 0.217 0.000 1.164 457 W CA -0.290 57.221 57.345 0.276 0.000 1.204 457 W CB 1.282 31.016 29.460 0.456 0.000 1.213 457 W HN 0.526 nan 8.180 nan 0.000 0.539 458 E N 1.709 122.210 120.200 0.501 0.000 2.526 458 E HA -0.049 4.301 4.350 -0.000 0.000 0.208 458 E C 0.604 177.337 176.600 0.220 0.000 0.997 458 E CA -0.043 56.511 56.400 0.257 0.000 0.961 458 E CB -0.166 29.648 29.700 0.190 0.000 1.030 458 E HN 0.533 nan 8.360 nan 0.000 0.483 459 H N 0.551 119.809 119.070 0.314 0.000 3.038 459 H HA 0.096 4.652 4.556 -0.000 0.000 0.338 459 H C 0.989 176.361 175.328 0.073 0.000 1.041 459 H CA 0.397 56.562 56.048 0.196 0.000 1.394 459 H CB 1.101 30.976 29.762 0.189 0.000 1.357 459 H HN -0.063 nan 8.280 nan 0.000 0.600 460 R N 1.339 121.851 120.500 0.019 0.000 2.152 460 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 460 R C 1.007 177.228 176.300 -0.132 0.000 1.117 460 R CA 0.731 56.794 56.100 -0.062 0.000 0.981 460 R CB 0.164 30.460 30.300 -0.006 0.000 0.870 460 R HN 0.481 nan 8.270 nan 0.000 0.451 461 K N 0.424 120.782 120.400 -0.070 0.000 2.546 461 K HA 0.073 4.393 4.320 -0.000 0.000 0.198 461 K C 0.068 176.523 176.600 -0.242 0.000 1.028 461 K CA 0.209 56.459 56.287 -0.061 0.000 1.150 461 K CB 0.599 33.109 32.500 0.017 0.000 0.876 461 K HN 0.185 nan 8.250 nan 0.000 0.508 462 G N 1.373 109.756 108.800 -0.694 0.000 2.343 462 G HA2 0.217 4.176 3.960 -0.000 0.000 0.319 462 G HA3 0.217 4.176 3.960 -0.000 0.000 0.319 462 G C 0.251 175.004 174.900 -0.245 0.000 1.126 462 G CA -0.382 44.271 45.100 -0.744 0.000 0.889 462 G HN 0.123 nan 8.290 nan 0.000 0.457 463 T N 0.313 114.855 114.554 -0.019 0.000 2.680 463 T HA 0.068 4.418 4.350 -0.000 0.000 0.314 463 T C 0.928 175.657 174.700 0.048 0.000 1.045 463 T CA 0.015 62.169 62.100 0.090 0.000 1.025 463 T CB 0.849 69.858 68.868 0.236 0.000 1.000 463 T HN 0.339 nan 8.240 nan 0.000 0.535 464 D N -0.014 120.363 120.400 -0.038 0.000 2.158 464 D HA -0.101 4.538 4.640 -0.000 0.000 0.197 464 D C 1.657 177.763 176.300 -0.323 0.000 0.995 464 D CA 1.670 55.529 54.000 -0.235 0.000 0.846 464 D CB -0.378 40.191 40.800 -0.384 0.000 0.941 464 D HN 0.730 nan 8.370 nan 0.000 0.456 465 Y N -0.108 120.135 120.300 -0.094 0.000 2.561 465 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 465 Y C 2.255 178.046 175.900 -0.182 0.000 1.141 465 Y CA 0.482 58.477 58.100 -0.175 0.000 1.303 465 Y CB -0.145 38.226 38.460 -0.149 0.000 1.015 465 Y HN 0.198 nan 8.280 nan 0.000 0.547 466 H N -0.032 119.056 119.070 0.030 0.000 2.524 466 H HA 0.008 4.564 4.556 -0.000 0.000 0.282 466 H C 1.268 176.594 175.328 -0.003 0.000 1.016 466 H CA 1.074 57.166 56.048 0.075 0.000 1.270 466 H CB 0.468 30.296 29.762 0.109 0.000 1.394 466 H HN 0.440 nan 8.280 nan 0.000 0.568 467 K N 0.126 120.485 120.400 -0.069 0.000 2.365 467 K HA 0.057 4.377 4.320 -0.000 0.000 0.195 467 K C 0.122 176.398 176.600 -0.540 0.000 1.079 467 K CA 0.283 56.445 56.287 -0.208 0.000 0.979 467 K CB 0.744 33.129 32.500 -0.193 0.000 0.929 467 K HN 0.013 nan 8.250 nan 0.000 0.523 468 Q N -0.008 119.392 119.800 -0.667 0.000 3.122 468 Q HA 0.173 4.513 4.340 -0.000 0.000 0.282 468 Q C -2.399 173.027 176.000 -0.956 0.000 0.947 468 Q CA -1.527 53.535 55.803 -1.234 0.000 0.812 468 Q CB 1.516 29.658 28.738 -0.994 0.000 1.333 468 Q HN -0.077 nan 8.270 nan 0.000 0.430 469 P HA -0.169 nan 4.420 nan 0.000 0.217 469 P C 0.613 177.824 177.300 -0.149 0.000 1.150 469 P CA 0.995 63.935 63.100 -0.266 0.000 0.832 469 P CB -0.011 31.621 31.700 -0.113 0.000 0.787 470 W N -0.225 121.067 121.300 -0.013 0.000 2.402 470 W HA 0.036 4.696 4.660 -0.000 0.000 0.286 470 W C 0.729 177.275 176.519 0.045 0.000 1.221 470 W CA -0.049 57.299 57.345 0.005 0.000 1.257 470 W CB -2.004 27.438 29.460 -0.031 0.000 1.120 470 W HN -0.139 nan 8.180 nan 0.000 0.551 471 Q N 2.169 121.826 119.800 -0.237 0.000 2.304 471 Q HA 0.338 4.677 4.340 -0.000 0.000 0.301 471 Q C -0.543 175.543 176.000 0.143 0.000 1.063 471 Q CA 1.141 56.940 55.803 -0.008 0.000 0.947 471 Q CB 0.678 29.285 28.738 -0.218 0.000 1.201 471 Q HN 0.325 nan 8.270 nan 0.000 0.389 472 A N 4.208 127.129 122.820 0.168 0.000 2.486 472 A HA 0.567 4.886 4.320 -0.000 0.000 0.300 472 A C -1.375 176.296 177.584 0.144 0.000 1.048 472 A CA -0.806 51.324 52.037 0.155 0.000 0.696 472 A CB 1.515 20.598 19.000 0.138 0.000 1.278 472 A HN 0.625 nan 8.150 nan 0.000 0.405 473 K N 2.979 123.458 120.400 0.130 0.000 2.316 473 K HA 0.607 4.926 4.320 -0.000 0.000 0.267 473 K C -1.197 175.466 176.600 0.105 0.000 1.025 473 K CA -0.286 56.071 56.287 0.116 0.000 0.896 473 K CB 0.488 33.060 32.500 0.121 0.000 1.124 473 K HN 0.688 nan 8.250 nan 0.000 0.451 474 I N 2.090 122.727 120.570 0.111 0.000 2.437 474 I HA 0.238 4.408 4.170 -0.000 0.000 0.298 474 I C -0.139 176.045 176.117 0.112 0.000 0.984 474 I CA -0.656 60.723 61.300 0.132 0.000 1.214 474 I CB 2.027 40.150 38.000 0.204 0.000 1.365 474 I HN 0.463 nan 8.210 nan 0.000 0.469 475 S N 4.113 119.889 115.700 0.127 0.000 2.526 475 S HA 0.595 5.065 4.470 -0.000 0.000 0.293 475 S C -0.646 174.033 174.600 0.133 0.000 1.092 475 S CA -0.631 57.639 58.200 0.116 0.000 0.980 475 S CB 2.348 65.620 63.200 0.120 0.000 1.048 475 S HN 0.300 nan 8.310 nan 0.000 0.483 476 V N 4.067 124.044 119.914 0.106 0.000 2.349 476 V HA 0.467 4.587 4.120 -0.000 0.000 0.284 476 V C -0.640 175.513 176.094 0.098 0.000 1.014 476 V CA -0.456 61.913 62.300 0.114 0.000 0.826 476 V CB 0.801 32.680 31.823 0.094 0.000 1.009 476 V HN 0.776 nan 8.190 nan 0.000 0.431 477 I N 5.061 125.687 120.570 0.094 0.000 2.412 477 I HA 0.734 4.904 4.170 -0.000 0.000 0.296 477 I C 0.026 176.180 176.117 0.062 0.000 0.987 477 I CA -0.511 60.842 61.300 0.088 0.000 1.180 477 I CB 1.631 39.683 38.000 0.087 0.000 1.340 477 I HN 0.589 nan 8.210 nan 0.000 0.455 478 R N 6.028 126.566 120.500 0.063 0.000 2.664 478 R HA 0.369 4.709 4.340 -0.000 0.000 0.260 478 R C -2.953 173.378 176.300 0.052 0.000 1.062 478 R CA -1.432 54.698 56.100 0.049 0.000 0.902 478 R CB 2.147 32.475 30.300 0.046 0.000 1.258 478 R HN 0.204 nan 8.270 nan 0.000 0.465 479 P HA -0.074 nan 4.420 nan 0.000 0.260 479 P C -0.266 177.060 177.300 0.043 0.000 1.172 479 P CA 0.987 64.114 63.100 0.044 0.000 0.760 479 P CB 0.765 32.489 31.700 0.040 0.000 0.773 480 S N 1.914 117.641 115.700 0.044 0.000 3.146 480 S HA -0.267 4.203 4.470 -0.000 0.000 0.285 480 S C 1.145 175.774 174.600 0.049 0.000 1.293 480 S CA 1.796 60.022 58.200 0.043 0.000 1.137 480 S CB -1.387 61.835 63.200 0.037 0.000 1.357 480 S HN 0.689 nan 8.310 nan 0.000 0.678 481 K N 0.197 120.630 120.400 0.055 0.000 2.374 481 K HA 0.365 4.685 4.320 -0.000 0.000 0.196 481 K C 1.873 178.519 176.600 0.076 0.000 1.023 481 K CA 0.877 57.198 56.287 0.057 0.000 1.103 481 K CB -0.478 32.055 32.500 0.054 0.000 0.848 481 K HN 0.675 nan 8.250 nan 0.000 0.528 482 G N 1.808 110.664 108.800 0.094 0.000 3.024 482 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.339 482 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.339 482 G C -0.227 174.807 174.900 0.224 0.000 1.200 482 G CA 1.030 46.218 45.100 0.146 0.000 0.968 482 G HN 0.676 nan 8.290 nan 0.000 0.593 483 H N 0.509 119.598 119.070 0.032 0.000 3.154 483 H HA 0.690 5.246 4.556 -0.000 0.000 0.330 483 H C -1.416 173.929 175.328 0.028 0.000 1.033 483 H CA -0.195 55.873 56.048 0.032 0.000 1.393 483 H CB 1.059 30.841 29.762 0.034 0.000 1.951 483 H HN 0.550 nan 8.280 nan 0.000 0.466 484 E N 2.251 122.378 120.200 -0.121 0.000 2.174 484 E HA 0.341 4.691 4.350 -0.000 0.000 0.282 484 E C -0.762 175.741 176.600 -0.161 0.000 0.992 484 E CA -0.422 55.871 56.400 -0.179 0.000 0.803 484 E CB 1.277 30.913 29.700 -0.107 0.000 1.090 484 E HN 0.548 nan 8.360 nan 0.000 0.396 485 S N 3.912 119.501 115.700 -0.185 0.000 2.433 485 S HA 0.575 5.045 4.470 -0.000 0.000 0.310 485 S C -0.953 173.608 174.600 -0.067 0.000 1.097 485 S CA -0.559 57.589 58.200 -0.087 0.000 1.103 485 S CB -0.043 63.118 63.200 -0.064 0.000 0.992 485 S HN 0.631 nan 8.310 nan 0.000 0.469 486 c N 4.805 123.378 118.600 -0.045 0.000 3.154 486 c HA 0.695 5.265 4.570 -0.000 0.000 0.312 486 c C -0.303 173.805 174.090 0.030 0.000 1.349 486 c CA -0.824 55.477 56.329 -0.047 0.000 1.518 486 c CB 1.791 44.197 42.510 -0.174 0.000 1.934 486 c HN 0.884 nan 8.230 nan 0.000 0.462 487 M N 0.654 120.287 119.600 0.054 0.000 2.755 487 M HA 0.770 5.250 4.480 -0.000 0.000 0.298 487 M C 0.050 176.425 176.300 0.124 0.000 1.251 487 M CA -0.162 55.198 55.300 0.100 0.000 0.817 487 M CB 2.345 35.011 32.600 0.110 0.000 1.760 487 M HN 0.916 nan 8.290 nan 0.000 0.473 488 G N -0.018 108.873 108.800 0.152 0.000 2.600 488 G HA2 0.797 4.757 3.960 -0.000 0.000 0.293 488 G HA3 0.797 4.757 3.960 -0.000 0.000 0.293 488 G C -2.406 172.618 174.900 0.207 0.000 1.408 488 G CA -0.598 44.604 45.100 0.169 0.000 0.782 488 G HN 0.862 nan 8.290 nan 0.000 0.482 489 A N -0.392 122.552 122.820 0.207 0.000 2.356 489 A HA 0.687 5.007 4.320 -0.000 0.000 0.310 489 A C -0.382 177.332 177.584 0.216 0.000 1.075 489 A CA -0.524 51.668 52.037 0.258 0.000 0.746 489 A CB 1.778 20.889 19.000 0.185 0.000 1.221 489 A HN 1.352 nan 8.150 nan 0.000 0.443 490 V N 4.005 124.068 119.914 0.248 0.000 2.425 490 V HA 0.067 4.187 4.120 -0.000 0.000 0.276 490 V C 1.497 177.698 176.094 0.177 0.000 1.017 490 V CA 0.850 63.278 62.300 0.213 0.000 1.062 490 V CB 0.388 32.344 31.823 0.221 0.000 0.997 490 V HN 0.988 nan 8.190 nan 0.000 0.476 491 V N 1.996 122.016 119.914 0.176 0.000 3.307 491 V HA 0.332 4.452 4.120 -0.000 0.000 0.253 491 V C 0.737 176.923 176.094 0.153 0.000 1.149 491 V CA 0.979 63.357 62.300 0.130 0.000 1.112 491 V CB 0.505 32.406 31.823 0.130 0.000 0.777 491 V HN 0.705 nan 8.190 nan 0.000 0.464 492 S N -1.134 114.712 115.700 0.244 0.000 2.672 492 S HA 0.347 4.817 4.470 -0.000 0.000 0.271 492 S C 0.304 175.101 174.600 0.329 0.000 1.171 492 S CA -0.019 58.359 58.200 0.298 0.000 0.817 492 S CB 1.746 65.130 63.200 0.307 0.000 1.150 492 S HN 0.325 nan 8.310 nan 0.000 0.478 493 E N -0.176 120.196 120.200 0.287 0.000 2.209 493 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 493 E C 0.359 176.893 176.600 -0.110 0.000 0.993 493 E CA 1.516 57.922 56.400 0.009 0.000 0.819 493 E CB -0.042 29.591 29.700 -0.113 0.000 0.745 493 E HN 0.616 nan 8.360 nan 0.000 0.477 494 Y N -2.074 118.284 120.300 0.096 0.000 2.426 494 Y HA 0.206 4.756 4.550 -0.000 0.000 0.249 494 Y C 0.018 175.785 175.900 -0.222 0.000 1.103 494 Y CA -0.458 57.600 58.100 -0.069 0.000 1.256 494 Y CB 0.889 39.282 38.460 -0.113 0.000 1.208 494 Y HN -0.148 nan 8.280 nan 0.000 0.519 495 F N -0.398 119.650 119.950 0.163 0.000 2.522 495 F HA 0.619 5.146 4.527 -0.000 0.000 0.324 495 F C -0.544 175.316 175.800 0.100 0.000 1.077 495 F CA -1.386 56.681 58.000 0.111 0.000 0.944 495 F CB 1.684 40.735 39.000 0.086 0.000 1.175 495 F HN -0.558 nan 8.300 nan 0.000 0.468 496 V N 3.964 124.036 119.914 0.263 0.000 2.525 496 V HA 0.331 4.451 4.120 -0.000 0.000 0.299 496 V C -1.027 175.192 176.094 0.208 0.000 1.034 496 V CA -0.742 61.679 62.300 0.201 0.000 0.863 496 V CB 1.847 33.751 31.823 0.136 0.000 0.999 496 V HN 0.508 nan 8.190 nan 0.000 0.423 497 L N 4.817 126.160 121.223 0.199 0.000 2.305 497 L HA 0.846 5.186 4.340 -0.000 0.000 0.281 497 L C 0.106 177.077 176.870 0.169 0.000 1.085 497 L CA 1.219 56.174 54.840 0.192 0.000 0.813 497 L CB 1.404 43.565 42.059 0.170 0.000 1.157 497 L HN 0.893 nan 8.230 nan 0.000 0.436 498 T N 3.266 117.921 114.554 0.167 0.000 2.769 498 T HA 0.737 5.087 4.350 -0.000 0.000 0.306 498 T C -0.964 173.814 174.700 0.130 0.000 1.400 498 T CA -0.124 62.071 62.100 0.158 0.000 1.007 498 T CB 0.943 69.938 68.868 0.210 0.000 1.392 498 T HN 0.950 nan 8.240 nan 0.000 0.500 499 A N 0.859 123.735 122.820 0.094 0.000 2.483 499 A HA 0.592 4.912 4.320 -0.000 0.000 0.238 499 A C 1.414 179.009 177.584 0.018 0.000 1.070 499 A CA 0.485 52.575 52.037 0.089 0.000 0.770 499 A CB -0.274 18.797 19.000 0.119 0.000 1.008 499 A HN 1.354 nan 8.150 nan 0.000 0.497 500 A N 0.826 123.648 122.820 0.003 0.000 2.238 500 A HA 0.094 4.414 4.320 -0.000 0.000 0.210 500 A C 1.408 178.931 177.584 -0.102 0.000 1.179 500 A CA 0.903 52.829 52.037 -0.186 0.000 0.827 500 A CB -0.538 18.146 19.000 -0.526 0.000 0.856 500 A HN 1.030 nan 8.150 nan 0.000 0.488 501 H N -2.803 116.292 119.070 0.041 0.000 2.539 501 H HA 0.113 4.669 4.556 -0.000 0.000 0.269 501 H C 1.092 176.452 175.328 0.053 0.000 0.980 501 H CA 0.763 56.928 56.048 0.195 0.000 1.152 501 H CB -0.624 29.341 29.762 0.338 0.000 1.407 501 H HN 0.336 nan 8.280 nan 0.000 0.564 502 c N 0.622 118.868 118.600 -0.590 0.000 2.594 502 c HA 0.250 4.820 4.570 -0.000 0.000 0.265 502 c C 0.518 174.139 174.090 -0.781 0.000 1.351 502 c CA -0.087 55.751 56.329 -0.817 0.000 1.744 502 c CB -1.126 40.691 42.510 -1.155 0.000 1.890 502 c HN 0.336 nan 8.230 nan 0.000 0.551 503 F N -0.886 119.118 119.950 0.088 0.000 2.740 503 F HA 0.647 5.174 4.527 -0.000 0.000 0.357 503 F C 0.280 176.273 175.800 0.321 0.000 1.141 503 F CA -0.646 57.481 58.000 0.212 0.000 1.044 503 F CB 0.778 39.917 39.000 0.232 0.000 1.430 503 F HN -0.278 nan 8.300 nan 0.000 0.518 504 T N -1.392 113.459 114.554 0.494 0.000 2.802 504 T HA 0.305 4.655 4.350 -0.000 0.000 0.311 504 T C 0.226 174.957 174.700 0.052 0.000 1.405 504 T CA -0.527 61.669 62.100 0.160 0.000 1.016 504 T CB 1.307 70.240 68.868 0.109 0.000 1.352 504 T HN 0.314 nan 8.240 nan 0.000 0.498 505 V N 2.151 121.991 119.914 -0.123 0.000 2.546 505 V HA -0.114 4.006 4.120 -0.000 0.000 0.254 505 V C 2.035 178.132 176.094 0.005 0.000 1.076 505 V CA 2.325 64.574 62.300 -0.085 0.000 1.087 505 V CB -0.530 31.230 31.823 -0.105 0.000 0.674 505 V HN 0.786 nan 8.190 nan 0.000 0.470 506 D N -0.489 119.924 120.400 0.021 0.000 2.149 506 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 506 D C 0.701 177.027 176.300 0.043 0.000 0.972 506 D CA 0.706 54.724 54.000 0.031 0.000 0.835 506 D CB -0.388 40.431 40.800 0.031 0.000 0.966 506 D HN 0.420 nan 8.370 nan 0.000 0.476 507 D N 1.967 122.414 120.400 0.079 0.000 2.450 507 D HA 0.026 4.666 4.640 -0.000 0.000 0.247 507 D C 0.836 177.161 176.300 0.041 0.000 1.162 507 D CA 0.410 54.458 54.000 0.080 0.000 0.879 507 D CB 0.834 41.739 40.800 0.176 0.000 1.163 507 D HN -0.104 nan 8.370 nan 0.000 0.472 508 K N 2.074 122.448 120.400 -0.044 0.000 2.179 508 K HA 0.174 4.494 4.320 -0.000 0.000 0.238 508 K C 0.893 177.439 176.600 -0.091 0.000 1.033 508 K CA -0.482 55.753 56.287 -0.087 0.000 0.926 508 K CB 0.530 32.905 32.500 -0.208 0.000 1.151 508 K HN 0.178 nan 8.250 nan 0.000 0.492 509 E N 0.488 120.657 120.200 -0.050 0.000 2.478 509 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 509 E C 1.128 177.743 176.600 0.025 0.000 1.045 509 E CA 0.633 57.026 56.400 -0.012 0.000 0.868 509 E CB -0.042 29.669 29.700 0.018 0.000 0.885 509 E HN 0.499 nan 8.360 nan 0.000 0.505 510 H N -2.103 116.982 119.070 0.024 0.000 2.594 510 H HA 0.282 4.838 4.556 -0.000 0.000 0.279 510 H C 0.780 176.131 175.328 0.039 0.000 1.042 510 H CA 0.739 56.803 56.048 0.025 0.000 1.177 510 H CB 0.386 30.160 29.762 0.021 0.000 1.524 510 H HN 0.102 nan 8.280 nan 0.000 0.537 511 S N 0.595 116.161 115.700 -0.223 0.000 2.540 511 S HA 0.284 4.754 4.470 -0.000 0.000 0.218 511 S C 0.493 175.106 174.600 0.022 0.000 0.977 511 S CA -0.520 57.618 58.200 -0.104 0.000 0.918 511 S CB -0.137 62.969 63.200 -0.157 0.000 0.806 511 S HN 0.268 nan 8.310 nan 0.000 0.496 512 I N 2.306 122.897 120.570 0.035 0.000 2.410 512 I HA 0.487 4.656 4.170 -0.000 0.000 0.286 512 I C -0.907 175.251 176.117 0.068 0.000 1.009 512 I CA -0.706 60.644 61.300 0.085 0.000 1.111 512 I CB 1.662 39.703 38.000 0.068 0.000 1.262 512 I HN -0.107 nan 8.210 nan 0.000 0.443 513 K N 6.069 126.520 120.400 0.086 0.000 2.376 513 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 513 K C -0.861 175.782 176.600 0.071 0.000 0.939 513 K CA -0.782 55.545 56.287 0.065 0.000 0.809 513 K CB 2.825 35.362 32.500 0.062 0.000 1.121 513 K HN 0.245 nan 8.250 nan 0.000 0.425 514 V N 1.512 121.455 119.914 0.049 0.000 2.394 514 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 514 V C 0.215 176.327 176.094 0.031 0.000 1.031 514 V CA -0.631 61.700 62.300 0.052 0.000 0.881 514 V CB 1.603 33.451 31.823 0.041 0.000 0.982 514 V HN 0.737 nan 8.190 nan 0.000 0.451 515 S N 3.990 119.712 115.700 0.037 0.000 2.448 515 S HA 0.433 4.903 4.470 -0.000 0.000 0.320 515 S C 0.651 175.244 174.600 -0.012 0.000 1.071 515 S CA -0.613 57.588 58.200 0.002 0.000 1.113 515 S CB 1.308 64.515 63.200 0.011 0.000 0.972 515 S HN 0.422 nan 8.310 nan 0.000 0.465 516 V N 4.676 124.555 119.914 -0.058 0.000 2.251 516 V HA 0.272 4.392 4.120 -0.000 0.000 0.233 516 V C 1.439 177.413 176.094 -0.200 0.000 1.041 516 V CA 1.360 63.621 62.300 -0.066 0.000 1.000 516 V CB -0.784 31.000 31.823 -0.065 0.000 0.643 516 V HN 0.892 nan 8.190 nan 0.000 0.460 517 G N -1.915 106.625 108.800 -0.434 0.000 2.744 517 G HA2 0.524 4.484 3.960 -0.000 0.000 0.286 517 G HA3 0.524 4.484 3.960 -0.000 0.000 0.286 517 G C 0.490 174.750 174.900 -1.065 0.000 1.497 517 G CA 0.401 44.829 45.100 -1.121 0.000 1.070 517 G HN 0.954 nan 8.290 nan 0.000 0.539 518 G N 2.605 110.493 108.800 -1.521 0.000 5.266 518 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.262 518 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.262 518 G C 0.515 175.269 174.900 -0.245 0.000 1.359 518 G CA 0.793 45.591 45.100 -0.503 0.000 0.955 518 G HN 0.960 nan 8.290 nan 0.000 0.754 519 E N 2.125 122.198 120.200 -0.213 0.000 2.694 519 E HA 0.307 4.657 4.350 -0.000 0.000 0.250 519 E C 0.702 177.244 176.600 -0.096 0.000 0.963 519 E CA 0.524 56.853 56.400 -0.119 0.000 0.949 519 E CB 0.409 30.046 29.700 -0.104 0.000 0.911 519 E HN 0.521 nan 8.360 nan 0.000 0.500 520 K N 3.481 123.850 120.400 -0.053 0.000 3.322 520 K HA -0.003 4.317 4.320 -0.000 0.000 0.291 520 K C 0.195 176.780 176.600 -0.024 0.000 1.131 520 K CA 0.013 56.283 56.287 -0.029 0.000 1.185 520 K CB -0.075 32.419 32.500 -0.010 0.000 1.338 520 K HN 0.251 nan 8.250 nan 0.000 0.380 521 R N 1.854 122.331 120.500 -0.037 0.000 2.332 521 R HA 0.075 4.415 4.340 -0.000 0.000 0.306 521 R C -1.091 175.195 176.300 -0.024 0.000 1.117 521 R CA -0.603 55.480 56.100 -0.029 0.000 1.108 521 R CB 0.265 30.543 30.300 -0.037 0.000 1.126 521 R HN 0.053 nan 8.270 nan 0.000 0.548 522 D N 3.408 123.804 120.400 -0.007 0.000 2.423 522 D HA 0.058 4.698 4.640 -0.000 0.000 0.238 522 D C -0.085 176.214 176.300 -0.002 0.000 1.142 522 D CA 0.467 54.469 54.000 0.003 0.000 0.884 522 D CB 0.898 41.711 40.800 0.021 0.000 1.199 522 D HN 0.421 nan 8.370 nan 0.000 0.438 523 L N 1.876 123.098 121.223 -0.001 0.000 2.313 523 L HA 0.288 4.628 4.340 -0.000 0.000 0.283 523 L C 0.624 177.496 176.870 0.003 0.000 1.013 523 L CA -0.784 54.051 54.840 -0.008 0.000 0.816 523 L CB 1.332 43.377 42.059 -0.023 0.000 1.236 523 L HN 0.180 nan 8.230 nan 0.000 0.419 524 E N 3.868 124.071 120.200 0.005 0.000 2.344 524 E HA 0.219 4.569 4.350 -0.000 0.000 0.270 524 E C -0.273 176.326 176.600 -0.001 0.000 1.021 524 E CA -0.213 56.197 56.400 0.015 0.000 0.887 524 E CB 1.388 31.101 29.700 0.023 0.000 0.997 524 E HN 0.447 nan 8.360 nan 0.000 0.429 525 I N -0.754 119.811 120.570 -0.009 0.000 2.797 525 I HA 0.217 4.387 4.170 -0.000 0.000 0.310 525 I C 0.934 177.028 176.117 -0.037 0.000 0.990 525 I CA -0.448 60.828 61.300 -0.041 0.000 1.228 525 I CB 1.329 39.283 38.000 -0.076 0.000 1.406 525 I HN 0.610 nan 8.210 nan 0.000 0.534 526 E N 2.251 122.412 120.200 -0.066 0.000 2.132 526 E HA 0.212 4.562 4.350 -0.000 0.000 0.193 526 E C -0.287 176.280 176.600 -0.056 0.000 0.951 526 E CA 0.310 56.675 56.400 -0.058 0.000 0.843 526 E CB 1.123 30.771 29.700 -0.087 0.000 0.807 526 E HN 0.537 nan 8.360 nan 0.000 0.467 527 V N 0.626 120.490 119.914 -0.083 0.000 3.108 527 V HA 0.257 4.377 4.120 -0.000 0.000 0.287 527 V C -1.750 174.292 176.094 -0.086 0.000 1.436 527 V CA -0.862 61.405 62.300 -0.054 0.000 1.001 527 V CB 2.165 33.979 31.823 -0.014 0.000 1.141 527 V HN -0.045 nan 8.190 nan 0.000 0.443 528 V N 6.951 126.812 119.914 -0.087 0.000 2.350 528 V HA 0.445 4.564 4.120 -0.000 0.000 0.276 528 V C 0.116 176.179 176.094 -0.052 0.000 1.028 528 V CA -0.387 61.787 62.300 -0.209 0.000 0.860 528 V CB 1.264 32.813 31.823 -0.457 0.000 0.990 528 V HN 0.655 nan 8.190 nan 0.000 0.453 529 L N 6.197 127.435 121.223 0.024 0.000 2.328 529 L HA 0.418 4.758 4.340 -0.000 0.000 0.280 529 L C -0.229 176.809 176.870 0.281 0.000 1.111 529 L CA -0.066 54.918 54.840 0.240 0.000 0.909 529 L CB -0.283 41.970 42.059 0.323 0.000 1.277 529 L HN 0.441 nan 8.230 nan 0.000 0.433 530 F N 0.574 120.633 119.950 0.183 0.000 2.506 530 F HA 0.081 4.608 4.527 -0.000 0.000 0.351 530 F C 1.123 176.950 175.800 0.046 0.000 1.136 530 F CA -0.128 57.913 58.000 0.068 0.000 1.298 530 F CB 0.194 39.215 39.000 0.036 0.000 1.145 530 F HN 0.373 nan 8.300 nan 0.000 0.593 531 H N 4.491 123.459 119.070 -0.169 0.000 2.886 531 H HA 0.110 4.666 4.556 -0.000 0.000 0.329 531 H C -1.723 173.556 175.328 -0.083 0.000 1.044 531 H CA -1.235 54.506 56.048 -0.511 0.000 1.456 531 H CB 0.937 30.293 29.762 -0.677 0.000 1.464 531 H HN 0.251 nan 8.280 nan 0.000 0.573 532 P HA -0.152 nan 4.420 nan 0.000 0.217 532 P C 0.085 177.360 177.300 -0.041 0.000 1.148 532 P CA 1.660 64.691 63.100 -0.115 0.000 0.828 532 P CB 0.231 31.827 31.700 -0.173 0.000 0.783 533 N N -2.984 115.712 118.700 -0.007 0.000 2.336 533 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 533 N C 0.149 175.753 175.510 0.157 0.000 1.113 533 N CA -0.370 52.648 53.050 -0.054 0.000 0.858 533 N CB -0.197 37.876 38.487 -0.690 0.000 0.970 533 N HN 0.163 nan 8.380 nan 0.000 0.471 534 Y N 2.042 122.435 120.300 0.155 0.000 2.425 534 Y HA 0.191 4.741 4.550 -0.000 0.000 0.331 534 Y C -0.377 175.606 175.900 0.138 0.000 1.157 534 Y CA -0.010 58.194 58.100 0.174 0.000 1.372 534 Y CB 0.394 38.975 38.460 0.202 0.000 1.253 534 Y HN -0.056 nan 8.280 nan 0.000 0.536 535 N N 6.390 124.716 118.700 -0.624 0.000 3.063 535 N HA 0.054 4.793 4.740 -0.000 0.000 0.242 535 N C -0.696 174.562 175.510 -0.421 0.000 1.146 535 N CA -0.406 52.386 53.050 -0.430 0.000 0.974 535 N CB 0.582 39.023 38.487 -0.076 0.000 1.584 535 N HN 0.908 nan 8.380 nan 0.000 0.636 536 I N 1.957 122.228 120.570 -0.499 0.000 3.419 536 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 536 I C 0.031 176.038 176.117 -0.183 0.000 1.268 536 I CA 0.450 61.543 61.300 -0.346 0.000 1.414 536 I CB 0.321 38.142 38.000 -0.298 0.000 1.074 536 I HN 0.311 nan 8.210 nan 0.000 0.457 537 N N 0.341 118.951 118.700 -0.149 0.000 2.235 537 N HA 0.184 4.923 4.740 -0.000 0.000 0.231 537 N C 1.403 176.827 175.510 -0.143 0.000 1.177 537 N CA 0.351 53.324 53.050 -0.128 0.000 0.874 537 N CB 0.730 39.156 38.487 -0.101 0.000 1.097 537 N HN 0.261 nan 8.380 nan 0.000 0.518 538 G N 0.387 109.094 108.800 -0.155 0.000 2.470 538 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 538 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 538 G C 0.800 175.508 174.900 -0.320 0.000 1.121 538 G CA 0.853 45.820 45.100 -0.223 0.000 0.766 538 G HN 0.057 nan 8.290 nan 0.000 0.553 539 K N -0.020 120.180 120.400 -0.332 0.000 2.724 539 K HA 0.328 4.648 4.320 -0.000 0.000 0.198 539 K C 0.841 177.313 176.600 -0.212 0.000 1.099 539 K CA -0.322 55.777 56.287 -0.314 0.000 1.025 539 K CB 1.278 33.541 32.500 -0.394 0.000 1.509 539 K HN 0.094 nan 8.250 nan 0.000 0.564 540 K N 0.460 120.759 120.400 -0.168 0.000 2.459 540 K HA 0.029 4.349 4.320 -0.000 0.000 0.193 540 K C 0.371 176.900 176.600 -0.118 0.000 1.030 540 K CA 1.339 57.549 56.287 -0.129 0.000 1.026 540 K CB 0.496 32.934 32.500 -0.104 0.000 0.809 540 K HN 0.185 nan 8.250 nan 0.000 0.504 541 E N -0.771 119.350 120.200 -0.131 0.000 2.256 541 E HA 0.266 4.616 4.350 -0.000 0.000 0.198 541 E C 1.705 178.234 176.600 -0.117 0.000 0.908 541 E CA 0.829 57.162 56.400 -0.111 0.000 0.915 541 E CB -0.209 29.429 29.700 -0.103 0.000 0.890 541 E HN 0.250 nan 8.360 nan 0.000 0.484 542 A N 0.338 123.072 122.820 -0.144 0.000 1.969 542 A HA 0.274 4.594 4.320 -0.000 0.000 0.218 542 A C 1.752 179.251 177.584 -0.141 0.000 1.169 542 A CA 1.458 53.411 52.037 -0.141 0.000 0.635 542 A CB -0.467 18.433 19.000 -0.167 0.000 0.810 542 A HN 0.368 nan 8.150 nan 0.000 0.445 543 G N -1.607 107.097 108.800 -0.160 0.000 2.147 543 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.128 543 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.128 543 G C -0.070 174.694 174.900 -0.227 0.000 1.026 543 G CA -0.088 44.914 45.100 -0.162 0.000 0.693 543 G HN 0.436 nan 8.290 nan 0.000 0.499 544 I N 0.998 121.412 120.570 -0.261 0.000 2.442 544 I HA 0.248 4.417 4.170 -0.000 0.000 0.279 544 I C -1.224 174.722 176.117 -0.285 0.000 1.081 544 I CA -2.301 58.782 61.300 -0.361 0.000 1.197 544 I CB 1.610 39.404 38.000 -0.342 0.000 1.394 544 I HN -0.165 nan 8.210 nan 0.000 0.488 545 P HA -0.145 nan 4.420 nan 0.000 0.217 545 P C -0.287 176.920 177.300 -0.154 0.000 1.148 545 P CA 1.478 64.480 63.100 -0.164 0.000 0.828 545 P CB 0.211 31.841 31.700 -0.117 0.000 0.783 546 E N -1.459 118.634 120.200 -0.178 0.000 2.241 546 E HA 0.369 4.719 4.350 -0.000 0.000 0.263 546 E C -1.318 175.173 176.600 -0.181 0.000 0.882 546 E CA -0.764 55.509 56.400 -0.212 0.000 0.769 546 E CB 1.531 31.125 29.700 -0.177 0.000 1.185 546 E HN -0.140 nan 8.360 nan 0.000 0.415 547 F N 2.651 122.338 119.950 -0.438 0.000 2.347 547 F HA 0.303 4.830 4.527 -0.000 0.000 0.366 547 F C -0.607 174.981 175.800 -0.354 0.000 1.107 547 F CA -0.898 56.911 58.000 -0.319 0.000 1.058 547 F CB 0.408 39.264 39.000 -0.240 0.000 1.236 547 F HN 0.482 nan 8.300 nan 0.000 0.456 548 Y N 1.658 121.682 120.300 -0.459 0.000 2.493 548 Y HA 0.108 4.658 4.550 -0.000 0.000 0.275 548 Y C 0.779 176.679 175.900 -0.001 0.000 1.183 548 Y CA -0.382 57.609 58.100 -0.182 0.000 1.258 548 Y CB -0.326 38.027 38.460 -0.177 0.000 1.108 548 Y HN 0.422 nan 8.280 nan 0.000 0.521 549 D N -0.190 119.952 120.400 -0.430 0.000 2.455 549 D HA -0.105 4.534 4.640 -0.000 0.000 0.241 549 D C -0.311 175.998 176.300 0.014 0.000 1.138 549 D CA 0.488 54.348 54.000 -0.233 0.000 0.877 549 D CB 0.191 40.620 40.800 -0.620 0.000 1.187 549 D HN 0.263 nan 8.370 nan 0.000 0.451 550 Y N 0.854 121.068 120.300 -0.143 0.000 3.078 550 Y HA -0.245 4.305 4.550 -0.000 0.000 0.202 550 Y C 0.324 176.191 175.900 -0.055 0.000 1.322 550 Y CA 0.502 58.445 58.100 -0.262 0.000 1.118 550 Y CB -1.191 37.099 38.460 -0.284 0.000 1.343 550 Y HN 0.396 nan 8.280 nan 0.000 0.499 551 D N 1.638 122.084 120.400 0.078 0.000 2.896 551 D HA 0.382 5.022 4.640 -0.000 0.000 0.240 551 D C -0.455 175.874 176.300 0.049 0.000 1.193 551 D CA 0.140 54.288 54.000 0.247 0.000 0.983 551 D CB -0.307 40.717 40.800 0.374 0.000 1.074 551 D HN 0.186 nan 8.370 nan 0.000 0.496 552 V N -1.165 118.693 119.914 -0.093 0.000 2.841 552 V HA 0.994 5.114 4.120 -0.000 0.000 0.310 552 V C -0.709 175.229 176.094 -0.259 0.000 1.090 552 V CA -1.223 60.990 62.300 -0.145 0.000 0.930 552 V CB 1.567 33.285 31.823 -0.175 0.000 1.014 552 V HN 0.216 nan 8.190 nan 0.000 0.425 553 A N 4.359 127.124 122.820 -0.092 0.000 2.465 553 A HA 0.787 5.106 4.320 -0.000 0.000 0.292 553 A C -1.133 176.566 177.584 0.192 0.000 1.041 553 A CA -0.565 51.444 52.037 -0.046 0.000 0.718 553 A CB 1.347 20.119 19.000 -0.382 0.000 1.266 553 A HN 1.017 nan 8.150 nan 0.000 0.403 554 L N 2.222 123.730 121.223 0.476 0.000 2.375 554 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 554 L C -0.421 176.575 176.870 0.210 0.000 1.107 554 L CA -0.361 54.706 54.840 0.378 0.000 0.806 554 L CB 1.261 43.544 42.059 0.374 0.000 1.146 554 L HN 0.601 nan 8.230 nan 0.000 0.447 555 I N 2.948 123.624 120.570 0.176 0.000 2.448 555 I HA 0.221 4.391 4.170 -0.000 0.000 0.281 555 I C -0.199 175.818 176.117 -0.166 0.000 1.027 555 I CA -0.550 60.726 61.300 -0.041 0.000 1.111 555 I CB 1.512 39.447 38.000 -0.109 0.000 1.236 555 I HN 0.509 nan 8.210 nan 0.000 0.452 556 K N 7.597 127.757 120.400 -0.400 0.000 2.310 556 K HA 0.408 4.728 4.320 -0.000 0.000 0.290 556 K C -0.375 176.038 176.600 -0.311 0.000 1.077 556 K CA -0.464 55.356 56.287 -0.779 0.000 0.922 556 K CB 0.562 32.486 32.500 -0.960 0.000 1.057 556 K HN 0.563 nan 8.250 nan 0.000 0.479 557 L N 4.132 125.250 121.223 -0.173 0.000 2.483 557 L HA 0.018 4.358 4.340 -0.000 0.000 0.275 557 L C 1.610 178.508 176.870 0.047 0.000 1.220 557 L CA 0.140 54.949 54.840 -0.051 0.000 0.833 557 L CB 0.408 42.431 42.059 -0.061 0.000 1.102 557 L HN 0.714 nan 8.230 nan 0.000 0.490 558 K N 0.836 121.250 120.400 0.022 0.000 2.296 558 K HA 0.009 4.329 4.320 -0.000 0.000 0.200 558 K C -0.014 176.655 176.600 0.114 0.000 1.048 558 K CA 0.600 56.918 56.287 0.051 0.000 0.966 558 K CB 0.242 32.751 32.500 0.016 0.000 0.754 558 K HN 0.544 nan 8.250 nan 0.000 0.466 559 N N 0.696 119.425 118.700 0.049 0.000 2.272 559 N HA 0.124 4.863 4.740 -0.000 0.000 0.305 559 N C -1.485 173.836 175.510 -0.315 0.000 1.103 559 N CA -0.563 52.469 53.050 -0.030 0.000 0.791 559 N CB 1.819 40.271 38.487 -0.059 0.000 1.356 559 N HN -0.065 nan 8.380 nan 0.000 0.486 560 K N 1.341 121.445 120.400 -0.493 0.000 2.298 560 K HA 0.311 4.631 4.320 -0.000 0.000 0.280 560 K C -0.511 175.796 176.600 -0.489 0.000 1.032 560 K CA -0.267 55.477 56.287 -0.905 0.000 0.958 560 K CB 0.535 32.652 32.500 -0.638 0.000 0.978 560 K HN 0.436 nan 8.250 nan 0.000 0.472 561 L N 3.833 124.764 121.223 -0.486 0.000 2.334 561 L HA 0.285 4.625 4.340 -0.000 0.000 0.277 561 L C -0.260 176.366 176.870 -0.406 0.000 1.075 561 L CA -0.728 53.914 54.840 -0.331 0.000 0.804 561 L CB 1.205 43.128 42.059 -0.225 0.000 1.174 561 L HN 0.478 nan 8.230 nan 0.000 0.438 562 K N 2.820 123.050 120.400 -0.284 0.000 2.293 562 K HA 0.343 4.663 4.320 -0.000 0.000 0.267 562 K C -1.050 175.459 176.600 -0.152 0.000 1.010 562 K CA -0.304 55.820 56.287 -0.271 0.000 0.875 562 K CB 0.618 33.031 32.500 -0.145 0.000 1.106 562 K HN 0.184 nan 8.250 nan 0.000 0.450 563 Y N 0.896 121.187 120.300 -0.014 0.000 2.620 563 Y HA 0.243 4.793 4.550 -0.000 0.000 0.330 563 Y C 1.462 177.368 175.900 0.009 0.000 1.186 563 Y CA -0.005 58.097 58.100 0.003 0.000 1.467 563 Y CB 0.672 39.144 38.460 0.020 0.000 1.262 563 Y HN 0.651 nan 8.280 nan 0.000 0.550 564 G N 1.616 110.521 108.800 0.175 0.000 2.949 564 G HA2 0.271 4.231 3.960 -0.000 0.000 0.285 564 G HA3 0.271 4.231 3.960 -0.000 0.000 0.285 564 G C -0.391 174.554 174.900 0.076 0.000 1.395 564 G CA -0.750 44.408 45.100 0.097 0.000 0.901 564 G HN 0.474 nan 8.290 nan 0.000 0.519 565 Q N -0.751 119.078 119.800 0.048 0.000 2.291 565 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 565 Q C 2.421 178.321 176.000 -0.167 0.000 0.976 565 Q CA 2.147 57.971 55.803 0.036 0.000 0.875 565 Q CB 0.003 28.793 28.738 0.086 0.000 0.927 565 Q HN 0.656 nan 8.270 nan 0.000 0.450 566 T N -3.844 110.584 114.554 -0.210 0.000 3.054 566 T HA 0.335 4.685 4.350 -0.000 0.000 0.255 566 T C 0.463 175.120 174.700 -0.071 0.000 1.035 566 T CA -0.184 61.794 62.100 -0.202 0.000 0.941 566 T CB 0.340 69.077 68.868 -0.218 0.000 1.026 566 T HN 0.046 nan 8.240 nan 0.000 0.533 567 I N 2.137 122.699 120.570 -0.012 0.000 2.623 567 I HA 0.471 4.641 4.170 -0.000 0.000 0.275 567 I C -0.674 175.525 176.117 0.138 0.000 1.108 567 I CA -0.818 60.517 61.300 0.058 0.000 1.120 567 I CB 1.011 39.046 38.000 0.059 0.000 1.249 567 I HN -0.008 nan 8.210 nan 0.000 0.500 568 R N 4.696 125.243 120.500 0.078 0.000 2.807 568 R HA 0.632 4.972 4.340 -0.000 0.000 0.276 568 R C -2.875 173.430 176.300 0.009 0.000 0.979 568 R CA -1.934 54.147 56.100 -0.031 0.000 0.928 568 R CB 1.895 32.182 30.300 -0.021 0.000 1.191 568 R HN 0.079 nan 8.270 nan 0.000 0.471 569 P HA 0.177 nan 4.420 nan 0.000 0.274 569 P C -0.622 176.687 177.300 0.015 0.000 1.237 569 P CA -0.371 62.696 63.100 -0.055 0.000 0.793 569 P CB 0.752 32.330 31.700 -0.203 0.000 0.977 570 I N 0.870 121.438 120.570 -0.003 0.000 2.676 570 I HA 0.279 4.449 4.170 -0.000 0.000 0.309 570 I C -0.489 175.517 176.117 -0.185 0.000 0.990 570 I CA -0.942 60.239 61.300 -0.199 0.000 1.168 570 I CB 1.043 38.755 38.000 -0.481 0.000 1.343 570 I HN 0.296 nan 8.210 nan 0.000 0.482 571 c N 6.493 124.961 118.600 -0.219 0.000 2.514 571 c HA 0.407 4.976 4.570 -0.000 0.000 0.392 571 c C 0.190 174.167 174.090 -0.188 0.000 1.294 571 c CA -0.583 55.634 56.329 -0.186 0.000 1.957 571 c CB -0.470 41.940 42.510 -0.166 0.000 2.541 571 c HN 0.460 nan 8.230 nan 0.000 0.569 572 L N 4.970 126.074 121.223 -0.197 0.000 2.334 572 L HA 0.421 4.760 4.340 -0.000 0.000 0.275 572 L C -2.153 174.578 176.870 -0.231 0.000 1.036 572 L CA -1.739 52.989 54.840 -0.188 0.000 0.807 572 L CB 1.197 43.177 42.059 -0.131 0.000 1.231 572 L HN 0.320 nan 8.230 nan 0.000 0.438 573 P HA -0.001 nan 4.420 nan 0.000 0.268 573 P C -0.312 176.873 177.300 -0.190 0.000 1.208 573 P CA -0.246 62.636 63.100 -0.363 0.000 0.777 573 P CB 0.317 31.367 31.700 -1.083 0.000 0.875 574 c N 0.545 119.116 118.600 -0.048 0.000 4.209 574 c HA -0.076 4.494 4.570 -0.000 0.000 0.305 574 c C 0.725 174.788 174.090 -0.046 0.000 1.339 574 c CA 1.128 57.490 56.329 0.056 0.000 2.062 574 c CB -3.177 39.434 42.510 0.168 0.000 1.307 574 c HN 0.859 nan 8.230 nan 0.000 0.706 575 T N -4.161 110.288 114.554 -0.175 0.000 2.883 575 T HA 0.548 4.898 4.350 -0.000 0.000 0.296 575 T C 0.710 175.305 174.700 -0.174 0.000 1.117 575 T CA -0.431 61.483 62.100 -0.310 0.000 1.006 575 T CB 1.496 70.025 68.868 -0.566 0.000 1.191 575 T HN 0.331 nan 8.240 nan 0.000 0.508 576 E N 0.651 120.757 120.200 -0.158 0.000 2.153 576 E HA -0.041 4.308 4.350 -0.000 0.000 0.194 576 E C 2.185 178.723 176.600 -0.104 0.000 0.988 576 E CA 1.171 57.512 56.400 -0.098 0.000 0.811 576 E CB -0.534 29.122 29.700 -0.074 0.000 0.746 576 E HN 0.854 nan 8.360 nan 0.000 0.466 577 G N 0.841 109.556 108.800 -0.141 0.000 2.433 577 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 577 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 577 G C 1.648 176.476 174.900 -0.120 0.000 1.186 577 G CA 1.347 46.369 45.100 -0.130 0.000 0.779 577 G HN 0.191 nan 8.290 nan 0.000 0.543 578 T N 0.973 115.448 114.554 -0.132 0.000 2.833 578 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 578 T C 2.609 177.263 174.700 -0.076 0.000 1.054 578 T CA 1.703 63.739 62.100 -0.105 0.000 1.135 578 T CB -0.444 68.365 68.868 -0.099 0.000 0.869 578 T HN 0.300 nan 8.240 nan 0.000 0.466 579 T N 1.657 116.171 114.554 -0.067 0.000 2.622 579 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 579 T C 2.116 176.786 174.700 -0.050 0.000 1.047 579 T CA 1.121 63.193 62.100 -0.047 0.000 1.159 579 T CB -0.190 68.655 68.868 -0.038 0.000 0.863 579 T HN 0.296 nan 8.240 nan 0.000 0.422 580 R N 0.448 120.915 120.500 -0.055 0.000 2.189 580 R HA 0.159 4.499 4.340 -0.000 0.000 0.218 580 R C 2.643 178.903 176.300 -0.066 0.000 1.074 580 R CA 0.785 56.854 56.100 -0.052 0.000 0.991 580 R CB -0.280 29.992 30.300 -0.046 0.000 0.883 580 R HN 0.366 nan 8.270 nan 0.000 0.457 581 A N 0.725 123.495 122.820 -0.082 0.000 1.898 581 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 581 A C 1.862 179.384 177.584 -0.103 0.000 1.181 581 A CA 1.027 53.004 52.037 -0.101 0.000 0.620 581 A CB -0.288 18.645 19.000 -0.112 0.000 0.819 581 A HN 0.219 nan 8.150 nan 0.000 0.442 582 L N -1.406 119.764 121.223 -0.089 0.000 2.599 582 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 582 L C 0.127 176.955 176.870 -0.071 0.000 1.141 582 L CA -0.044 54.744 54.840 -0.087 0.000 0.877 582 L CB -0.249 41.768 42.059 -0.070 0.000 1.009 582 L HN 0.387 nan 8.230 nan 0.000 0.447 583 R N 0.439 120.902 120.500 -0.062 0.000 3.209 583 R HA -0.139 4.201 4.340 -0.000 0.000 0.252 583 R C -0.925 175.354 176.300 -0.036 0.000 0.958 583 R CA 0.305 56.377 56.100 -0.046 0.000 0.651 583 R CB -2.210 28.062 30.300 -0.047 0.000 1.142 583 R HN 0.288 nan 8.270 nan 0.000 0.441 584 L N 0.815 122.018 121.223 -0.033 0.000 2.341 584 L HA 0.638 4.978 4.340 -0.000 0.000 0.267 584 L C -1.626 175.233 176.870 -0.019 0.000 1.009 584 L CA -2.612 52.213 54.840 -0.025 0.000 0.819 584 L CB 1.585 43.630 42.059 -0.024 0.000 1.323 584 L HN -0.066 nan 8.230 nan 0.000 0.425 585 P HA 0.026 nan 4.420 nan 0.000 0.267 585 P C -2.218 175.077 177.300 -0.009 0.000 1.201 585 P CA -0.929 62.165 63.100 -0.010 0.000 0.775 585 P CB -0.084 31.611 31.700 -0.008 0.000 0.854 586 P HA -0.118 nan 4.420 nan 0.000 0.226 586 P C 1.065 178.364 177.300 -0.002 0.000 1.146 586 P CA 1.443 64.539 63.100 -0.006 0.000 0.773 586 P CB -0.523 31.174 31.700 -0.004 0.000 0.772 587 T N -4.957 109.597 114.554 -0.001 0.000 3.169 587 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 587 T C 0.689 175.392 174.700 0.005 0.000 1.111 587 T CA -0.122 61.979 62.100 0.003 0.000 1.010 587 T CB -1.286 67.583 68.868 0.002 0.000 0.984 587 T HN -0.080 nan 8.240 nan 0.000 0.537 588 T N 4.386 118.942 114.554 0.003 0.000 2.792 588 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 588 T C 0.832 175.542 174.700 0.017 0.000 0.970 588 T CA 0.173 62.276 62.100 0.006 0.000 1.187 588 T CB 0.409 69.278 68.868 0.001 0.000 0.915 588 T HN 0.686 nan 8.240 nan 0.000 0.529 589 T N 0.027 114.594 114.554 0.022 0.000 2.847 589 T HA 0.137 4.486 4.350 -0.000 0.000 0.279 589 T C 1.781 176.514 174.700 0.054 0.000 0.984 589 T CA -0.931 61.189 62.100 0.034 0.000 0.988 589 T CB 0.803 69.689 68.868 0.029 0.000 1.040 589 T HN 0.676 nan 8.240 nan 0.000 0.528 590 c N 0.555 119.200 118.600 0.076 0.000 2.419 590 c HA -0.024 4.546 4.570 -0.000 0.000 0.281 590 c C 2.729 176.891 174.090 0.121 0.000 1.336 590 c CA 1.372 57.776 56.329 0.126 0.000 1.770 590 c CB -1.587 41.011 42.510 0.146 0.000 1.929 590 c HN 1.049 nan 8.230 nan 0.000 0.509 591 Q N 0.524 120.361 119.800 0.061 0.000 2.123 591 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 591 Q C 2.221 178.212 176.000 -0.014 0.000 0.966 591 Q CA 1.756 57.567 55.803 0.012 0.000 0.845 591 Q CB -0.468 28.273 28.738 0.006 0.000 0.907 591 Q HN 0.746 nan 8.270 nan 0.000 0.439 592 Q N -0.486 119.317 119.800 0.006 0.000 2.170 592 Q HA -0.188 4.152 4.340 -0.000 0.000 0.203 592 Q C 2.097 178.095 176.000 -0.004 0.000 0.976 592 Q CA 1.496 57.296 55.803 -0.005 0.000 0.858 592 Q CB 0.020 28.759 28.738 0.002 0.000 0.907 592 Q HN 0.554 nan 8.270 nan 0.000 0.433 593 Q N 0.414 120.235 119.800 0.034 0.000 2.123 593 Q HA -0.122 4.218 4.340 -0.000 0.000 0.199 593 Q C 1.906 177.926 176.000 0.034 0.000 0.966 593 Q CA 0.839 56.686 55.803 0.074 0.000 0.845 593 Q CB -0.057 28.778 28.738 0.162 0.000 0.907 593 Q HN 0.185 nan 8.270 nan 0.000 0.439 594 K N 1.163 121.491 120.400 -0.121 0.000 2.209 594 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 594 K C 1.854 178.266 176.600 -0.313 0.000 1.048 594 K CA 1.143 57.084 56.287 -0.577 0.000 0.940 594 K CB 0.140 32.150 32.500 -0.815 0.000 0.729 594 K HN 0.167 nan 8.250 nan 0.000 0.451 595 E N 0.219 120.323 120.200 -0.160 0.000 2.076 595 E HA -0.195 4.154 4.350 -0.000 0.000 0.190 595 E C 1.742 178.299 176.600 -0.072 0.000 0.979 595 E CA 0.945 57.282 56.400 -0.104 0.000 0.807 595 E CB 0.125 29.784 29.700 -0.068 0.000 0.761 595 E HN 0.241 nan 8.360 nan 0.000 0.454 596 E N 0.456 120.624 120.200 -0.053 0.000 2.072 596 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 596 E C 2.011 178.591 176.600 -0.033 0.000 0.982 596 E CA 0.991 57.368 56.400 -0.038 0.000 0.803 596 E CB -0.065 29.617 29.700 -0.030 0.000 0.755 596 E HN 0.304 nan 8.360 nan 0.000 0.453 597 L N -0.593 120.621 121.223 -0.016 0.000 2.102 597 L HA 0.092 4.431 4.340 -0.000 0.000 0.202 597 L C 0.813 177.683 176.870 -0.000 0.000 1.076 597 L CA 0.570 55.421 54.840 0.018 0.000 0.761 597 L CB 0.057 42.194 42.059 0.129 0.000 0.921 597 L HN 0.070 nan 8.230 nan 0.000 0.444 598 L N 1.630 122.819 121.223 -0.058 0.000 2.679 598 L HA 0.333 4.672 4.340 -0.000 0.000 0.238 598 L C -2.301 174.522 176.870 -0.078 0.000 1.330 598 L CA -1.600 53.202 54.840 -0.063 0.000 0.935 598 L CB 0.634 42.635 42.059 -0.097 0.000 1.243 598 L HN -0.077 nan 8.230 nan 0.000 0.484 599 P HA 0.051 nan 4.420 nan 0.000 0.272 599 P C -0.126 177.161 177.300 -0.022 0.000 1.230 599 P CA -0.366 62.712 63.100 -0.038 0.000 0.788 599 P CB 1.232 32.919 31.700 -0.022 0.000 0.949 600 A N 2.431 125.239 122.820 -0.020 0.000 2.906 600 A HA 0.278 4.598 4.320 -0.000 0.000 0.289 600 A C 0.722 178.308 177.584 0.003 0.000 1.675 600 A CA 0.255 52.287 52.037 -0.008 0.000 1.372 600 A CB -1.156 17.838 19.000 -0.010 0.000 1.091 600 A HN 0.645 nan 8.150 nan 0.000 0.579 601 Q N -0.112 119.696 119.800 0.013 0.000 2.696 601 Q HA 0.249 4.589 4.340 -0.000 0.000 0.346 601 Q C -1.898 174.129 176.000 0.044 0.000 0.708 601 Q CA -1.038 54.779 55.803 0.022 0.000 0.934 601 Q CB 0.361 29.112 28.738 0.022 0.000 1.228 601 Q HN 0.180 nan 8.270 nan 0.000 0.500 602 D N 1.377 121.814 120.400 0.061 0.000 2.411 602 D HA 0.438 5.078 4.640 -0.000 0.000 0.225 602 D C -0.565 175.850 176.300 0.192 0.000 1.156 602 D CA 0.026 54.097 54.000 0.118 0.000 0.874 602 D CB 0.451 41.297 40.800 0.075 0.000 1.034 602 D HN 0.331 nan 8.370 nan 0.000 0.502 603 I N 1.399 122.073 120.570 0.174 0.000 2.396 603 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 603 I C 0.972 177.147 176.117 0.097 0.000 0.999 603 I CA -0.708 60.663 61.300 0.119 0.000 1.310 603 I CB 1.100 39.134 38.000 0.057 0.000 1.404 603 I HN -0.125 nan 8.210 nan 0.000 0.496 604 K N 5.354 125.757 120.400 0.005 0.000 2.338 604 K HA 0.501 4.821 4.320 -0.000 0.000 0.290 604 K C -0.275 176.233 176.600 -0.154 0.000 1.069 604 K CA -0.088 56.077 56.287 -0.202 0.000 0.941 604 K CB 0.680 33.090 32.500 -0.150 0.000 1.023 604 K HN 0.775 nan 8.250 nan 0.000 0.477 605 A N 3.191 125.896 122.820 -0.191 0.000 2.470 605 A HA 0.869 5.189 4.320 -0.000 0.000 0.271 605 A C -1.416 176.122 177.584 -0.076 0.000 1.269 605 A CA -0.793 51.192 52.037 -0.087 0.000 0.828 605 A CB 0.854 19.827 19.000 -0.046 0.000 1.374 605 A HN 0.554 nan 8.150 nan 0.000 0.454 606 L N -2.959 118.264 121.223 -0.000 0.000 2.710 606 L HA 0.885 5.225 4.340 -0.000 0.000 0.260 606 L C -1.027 175.909 176.870 0.109 0.000 0.993 606 L CA -0.646 54.203 54.840 0.015 0.000 0.877 606 L CB 1.301 43.352 42.059 -0.014 0.000 1.461 606 L HN 1.090 nan 8.230 nan 0.000 0.413 607 F N -0.459 119.467 119.950 -0.040 0.000 2.574 607 F HA 0.899 5.426 4.527 -0.000 0.000 0.313 607 F C -1.020 174.783 175.800 0.005 0.000 1.130 607 F CA -1.350 56.636 58.000 -0.025 0.000 0.936 607 F CB 1.459 40.424 39.000 -0.058 0.000 1.219 607 F HN 0.370 nan 8.300 nan 0.000 0.445 608 V N 2.926 122.884 119.914 0.074 0.000 2.555 608 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 608 V C 0.093 176.206 176.094 0.031 0.000 1.044 608 V CA 0.099 62.380 62.300 -0.031 0.000 1.026 608 V CB 0.849 32.684 31.823 0.020 0.000 0.981 608 V HN 0.939 nan 8.190 nan 0.000 0.480 609 S N 3.650 119.305 115.700 -0.074 0.000 2.549 609 S HA 0.541 5.011 4.470 -0.000 0.000 0.280 609 S C -0.915 173.663 174.600 -0.036 0.000 1.109 609 S CA -0.824 57.386 58.200 0.017 0.000 0.905 609 S CB 1.784 65.027 63.200 0.071 0.000 1.081 609 S HN 0.796 nan 8.310 nan 0.000 0.477 610 E N 1.987 122.187 120.200 0.001 0.000 2.156 610 E HA 0.334 4.683 4.350 -0.000 0.000 0.279 610 E C -0.979 175.619 176.600 -0.002 0.000 0.965 610 E CA -0.382 56.008 56.400 -0.018 0.000 0.789 610 E CB 1.399 31.100 29.700 0.001 0.000 1.098 610 E HN 0.520 nan 8.360 nan 0.000 0.397 611 E N 3.117 123.305 120.200 -0.019 0.000 2.186 611 E HA 0.122 4.472 4.350 -0.000 0.000 0.255 611 E C -0.884 175.711 176.600 -0.007 0.000 0.881 611 E CA -0.347 56.049 56.400 -0.008 0.000 0.752 611 E CB 1.035 30.725 29.700 -0.017 0.000 1.176 611 E HN 0.490 nan 8.360 nan 0.000 0.421 612 E N 2.855 123.059 120.200 0.006 0.000 2.340 612 E HA -0.266 4.084 4.350 -0.000 0.000 0.240 612 E C -0.604 176.000 176.600 0.006 0.000 1.154 612 E CA 0.512 56.917 56.400 0.008 0.000 0.717 612 E CB -1.082 28.620 29.700 0.003 0.000 1.250 612 E HN 0.681 nan 8.360 nan 0.000 0.386 613 K N -4.201 116.206 120.400 0.012 0.000 3.281 613 K HA -0.241 4.079 4.320 -0.000 0.000 0.295 613 K C 0.027 176.621 176.600 -0.009 0.000 1.233 613 K CA 1.521 57.817 56.287 0.016 0.000 0.866 613 K CB -1.823 30.694 32.500 0.027 0.000 1.265 613 K HN 0.442 nan 8.250 nan 0.000 0.482 614 K N 1.253 121.633 120.400 -0.034 0.000 2.358 614 K HA 0.522 4.842 4.320 -0.000 0.000 0.260 614 K C -0.204 176.328 176.600 -0.113 0.000 0.956 614 K CA -0.586 55.658 56.287 -0.071 0.000 0.834 614 K CB 0.877 33.342 32.500 -0.059 0.000 1.102 614 K HN 0.223 nan 8.250 nan 0.000 0.431 615 L N 3.213 124.323 121.223 -0.189 0.000 2.536 615 L HA 0.173 4.513 4.340 -0.000 0.000 0.282 615 L C 0.939 177.685 176.870 -0.206 0.000 1.174 615 L CA -0.252 54.445 54.840 -0.239 0.000 0.989 615 L CB 0.478 42.287 42.059 -0.416 0.000 1.311 615 L HN 0.820 nan 8.230 nan 0.000 0.455 616 T N 3.628 118.083 114.554 -0.165 0.000 2.907 616 T HA 0.404 4.754 4.350 -0.000 0.000 0.284 616 T C 0.236 174.815 174.700 -0.201 0.000 1.004 616 T CA -0.622 61.381 62.100 -0.162 0.000 1.063 616 T CB 0.772 69.563 68.868 -0.128 0.000 0.992 616 T HN 0.481 nan 8.240 nan 0.000 0.483 617 R N 3.150 123.531 120.500 -0.198 0.000 2.357 617 R HA 0.406 4.746 4.340 -0.000 0.000 0.296 617 R C -0.377 175.746 176.300 -0.295 0.000 1.052 617 R CA -0.808 55.154 56.100 -0.231 0.000 0.988 617 R CB 0.687 30.888 30.300 -0.164 0.000 1.025 617 R HN 0.359 nan 8.270 nan 0.000 0.469 618 K N 2.891 123.002 120.400 -0.481 0.000 2.507 618 K HA 0.128 4.448 4.320 -0.000 0.000 0.253 618 K C -0.643 175.712 176.600 -0.408 0.000 0.969 618 K CA -0.429 55.517 56.287 -0.568 0.000 0.908 618 K CB 1.759 33.574 32.500 -1.142 0.000 1.127 618 K HN 0.603 nan 8.250 nan 0.000 0.437 619 E N 3.019 123.091 120.200 -0.215 0.000 2.259 619 E HA 0.270 4.620 4.350 -0.000 0.000 0.281 619 E C -0.268 176.263 176.600 -0.114 0.000 1.037 619 E CA -0.574 55.725 56.400 -0.168 0.000 0.854 619 E CB 0.748 30.338 29.700 -0.183 0.000 1.051 619 E HN 0.333 nan 8.360 nan 0.000 0.409 620 V N 1.829 121.678 119.914 -0.109 0.000 3.156 620 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 620 V C -1.350 174.603 176.094 -0.236 0.000 1.208 620 V CA -0.975 61.310 62.300 -0.024 0.000 1.063 620 V CB 1.154 33.081 31.823 0.173 0.000 1.098 620 V HN 0.629 nan 8.190 nan 0.000 0.452 621 Y N -0.010 120.329 120.300 0.065 0.000 2.409 621 Y HA 0.715 5.265 4.550 -0.000 0.000 0.343 621 Y C 0.059 175.981 175.900 0.037 0.000 0.973 621 Y CA -0.730 57.402 58.100 0.054 0.000 1.064 621 Y CB 2.008 40.518 38.460 0.084 0.000 1.207 621 Y HN 0.518 nan 8.280 nan 0.000 0.452 622 I N 4.611 125.283 120.570 0.170 0.000 2.325 622 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 622 I C -0.349 175.825 176.117 0.095 0.000 1.019 622 I CA -1.008 60.355 61.300 0.105 0.000 1.302 622 I CB 0.760 38.805 38.000 0.076 0.000 1.401 622 I HN 0.378 nan 8.210 nan 0.000 0.485 623 K N 5.408 125.841 120.400 0.055 0.000 2.155 623 K HA 0.081 4.401 4.320 -0.000 0.000 0.240 623 K C 0.370 176.991 176.600 0.035 0.000 1.193 623 K CA 0.044 56.352 56.287 0.034 0.000 1.104 623 K CB -0.396 32.104 32.500 -0.001 0.000 1.558 623 K HN 0.440 nan 8.250 nan 0.000 0.313 624 N N 0.828 119.552 118.700 0.041 0.000 2.254 624 N HA 0.007 4.747 4.740 -0.000 0.000 0.190 624 N C 0.777 176.301 175.510 0.022 0.000 1.107 624 N CA 0.090 53.160 53.050 0.033 0.000 0.869 624 N CB 0.567 39.071 38.487 0.028 0.000 0.983 624 N HN 0.473 nan 8.380 nan 0.000 0.487 625 G N 0.192 109.004 108.800 0.021 0.000 2.783 625 G HA2 0.002 3.962 3.960 -0.000 0.000 0.182 625 G HA3 0.002 3.962 3.960 -0.000 0.000 0.182 625 G C 0.529 175.436 174.900 0.011 0.000 1.516 625 G CA 0.470 45.577 45.100 0.012 0.000 1.079 625 G HN 0.390 nan 8.290 nan 0.000 0.573 626 D N -0.773 119.629 120.400 0.005 0.000 2.224 626 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 626 D C 1.750 178.054 176.300 0.006 0.000 0.965 626 D CA 0.883 54.886 54.000 0.005 0.000 0.852 626 D CB -0.009 40.791 40.800 -0.000 0.000 0.947 626 D HN 0.381 nan 8.370 nan 0.000 0.494 627 K N 0.070 120.470 120.400 0.000 0.000 2.555 627 K HA -0.011 4.308 4.320 -0.000 0.000 0.193 627 K C 1.722 178.327 176.600 0.007 0.000 1.032 627 K CA 0.112 56.398 56.287 -0.002 0.000 1.004 627 K CB 0.045 32.534 32.500 -0.017 0.000 0.804 627 K HN 0.168 nan 8.250 nan 0.000 0.496 628 K N 0.920 121.330 120.400 0.017 0.000 2.103 628 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 628 K C 1.998 178.624 176.600 0.043 0.000 1.048 628 K CA 1.586 57.891 56.287 0.030 0.000 0.930 628 K CB -0.130 32.393 32.500 0.039 0.000 0.716 628 K HN 0.252 nan 8.250 nan 0.000 0.444 629 G N -0.247 108.577 108.800 0.039 0.000 2.394 629 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 629 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 629 G C 1.421 176.351 174.900 0.050 0.000 1.176 629 G CA 0.769 45.898 45.100 0.048 0.000 0.786 629 G HN 0.307 nan 8.290 nan 0.000 0.533 630 S N -0.664 115.057 115.700 0.034 0.000 2.419 630 S HA -0.159 4.310 4.470 -0.000 0.000 0.233 630 S C 2.197 176.820 174.600 0.038 0.000 1.016 630 S CA 1.057 59.278 58.200 0.035 0.000 0.974 630 S CB -0.365 62.844 63.200 0.016 0.000 0.786 630 S HN 0.549 nan 8.310 nan 0.000 0.492 631 c N 1.813 120.427 118.600 0.023 0.000 2.519 631 c HA 0.149 4.719 4.570 -0.000 0.000 0.281 631 c C 2.353 176.464 174.090 0.036 0.000 1.331 631 c CA 0.229 56.552 56.329 -0.009 0.000 1.725 631 c CB -0.952 41.523 42.510 -0.059 0.000 2.079 631 c HN 0.565 nan 8.230 nan 0.000 0.496 632 E N 0.016 120.281 120.200 0.107 0.000 2.216 632 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 632 E C 2.158 178.892 176.600 0.222 0.000 0.988 632 E CA 0.579 57.131 56.400 0.253 0.000 0.834 632 E CB -0.093 29.741 29.700 0.223 0.000 0.772 632 E HN 0.589 nan 8.360 nan 0.000 0.479 633 R N 0.865 121.454 120.500 0.148 0.000 2.316 633 R HA -0.048 4.291 4.340 -0.000 0.000 0.202 633 R C 0.626 177.034 176.300 0.180 0.000 1.029 633 R CA 0.494 56.672 56.100 0.130 0.000 1.018 633 R CB 0.149 30.505 30.300 0.092 0.000 0.888 633 R HN 0.091 nan 8.270 nan 0.000 0.471 634 D N 0.448 120.987 120.400 0.232 0.000 2.336 634 D HA 0.009 4.649 4.640 -0.000 0.000 0.229 634 D C 1.131 177.670 176.300 0.398 0.000 1.061 634 D CA 0.275 54.486 54.000 0.352 0.000 0.875 634 D CB 0.414 41.348 40.800 0.223 0.000 0.904 634 D HN 0.176 nan 8.370 nan 0.000 0.525 635 A N 0.344 123.342 122.820 0.297 0.000 2.235 635 A HA 0.026 4.346 4.320 -0.000 0.000 0.208 635 A C 2.131 179.824 177.584 0.181 0.000 1.172 635 A CA 1.002 53.190 52.037 0.251 0.000 0.786 635 A CB -0.523 18.569 19.000 0.153 0.000 0.804 635 A HN 0.256 nan 8.150 nan 0.000 0.479 636 Q N -1.548 118.309 119.800 0.094 0.000 2.482 636 Q HA 0.038 4.378 4.340 -0.000 0.000 0.209 636 Q C 1.265 177.127 176.000 -0.231 0.000 0.961 636 Q CA 1.051 56.800 55.803 -0.090 0.000 0.945 636 Q CB -1.073 27.518 28.738 -0.245 0.000 1.012 636 Q HN 0.902 nan 8.270 nan 0.000 0.515 637 Y N -0.736 119.581 120.300 0.028 0.000 2.458 637 Y HA 0.565 5.115 4.550 -0.000 0.000 0.254 637 Y C 1.489 177.439 175.900 0.083 0.000 1.120 637 Y CA -0.497 57.592 58.100 -0.019 0.000 1.282 637 Y CB 0.358 38.690 38.460 -0.214 0.000 1.109 637 Y HN 0.409 nan 8.280 nan 0.000 0.526 638 A N 1.781 124.745 122.820 0.239 0.000 2.483 638 A HA 0.249 4.569 4.320 -0.000 0.000 0.238 638 A C -2.392 175.326 177.584 0.223 0.000 1.070 638 A CA -1.235 50.913 52.037 0.185 0.000 0.770 638 A CB -0.373 18.625 19.000 -0.004 0.000 1.008 638 A HN 0.000 nan 8.150 nan 0.000 0.497 639 P HA 0.242 nan 4.420 nan 0.000 0.263 639 P C 0.862 178.329 177.300 0.278 0.000 1.195 639 P CA 1.821 65.041 63.100 0.199 0.000 0.762 639 P CB 0.518 32.315 31.700 0.162 0.000 0.799 640 G N 2.134 111.042 108.800 0.179 0.000 2.198 640 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 640 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 640 G C 0.051 174.967 174.900 0.027 0.000 1.025 640 G CA -0.098 45.056 45.100 0.090 0.000 0.769 640 G HN 0.529 nan 8.290 nan 0.000 0.507 641 Y N -0.668 119.620 120.300 -0.019 0.000 2.738 641 Y HA 0.266 4.816 4.550 -0.000 0.000 0.249 641 Y C 1.558 177.430 175.900 -0.047 0.000 1.153 641 Y CA -0.175 57.903 58.100 -0.035 0.000 1.165 641 Y CB 0.615 39.069 38.460 -0.010 0.000 1.235 641 Y HN 0.174 nan 8.280 nan 0.000 0.559 642 D N 0.525 120.951 120.400 0.044 0.000 2.146 642 D HA -0.028 4.612 4.640 -0.000 0.000 0.209 642 D C 0.546 176.819 176.300 -0.044 0.000 0.973 642 D CA 1.145 55.136 54.000 -0.016 0.000 0.860 642 D CB 0.065 40.853 40.800 -0.020 0.000 1.015 642 D HN 0.137 nan 8.370 nan 0.000 0.465 643 K N 1.202 121.569 120.400 -0.055 0.000 2.480 643 K HA 0.244 4.564 4.320 -0.000 0.000 0.241 643 K C -0.838 175.711 176.600 -0.086 0.000 1.261 643 K CA -0.078 56.170 56.287 -0.066 0.000 1.193 643 K CB 0.535 32.996 32.500 -0.065 0.000 1.598 643 K HN -0.096 nan 8.250 nan 0.000 0.278 644 V N 2.437 122.307 119.914 -0.074 0.000 2.409 644 V HA 0.085 4.205 4.120 -0.000 0.000 0.291 644 V C 0.852 176.911 176.094 -0.058 0.000 1.020 644 V CA -0.871 61.380 62.300 -0.081 0.000 0.848 644 V CB 1.518 33.303 31.823 -0.064 0.000 0.990 644 V HN 0.497 nan 8.190 nan 0.000 0.430 645 K N 2.313 122.675 120.400 -0.063 0.000 2.001 645 K HA -0.139 4.181 4.320 -0.000 0.000 0.214 645 K C 0.437 177.017 176.600 -0.033 0.000 1.050 645 K CA 1.890 58.148 56.287 -0.048 0.000 0.934 645 K CB 0.030 32.498 32.500 -0.053 0.000 0.718 645 K HN 0.743 nan 8.250 nan 0.000 0.443 646 D N -1.775 118.608 120.400 -0.028 0.000 2.732 646 D HA 0.155 4.795 4.640 -0.000 0.000 0.229 646 D C -0.231 176.071 176.300 0.003 0.000 1.152 646 D CA -0.640 53.354 54.000 -0.010 0.000 0.854 646 D CB 1.622 42.418 40.800 -0.006 0.000 1.590 646 D HN -0.108 nan 8.370 nan 0.000 0.468 647 I N 2.023 122.602 120.570 0.016 0.000 2.876 647 I HA 0.045 4.215 4.170 -0.000 0.000 0.264 647 I C 1.679 177.809 176.117 0.023 0.000 1.204 647 I CA 0.860 62.177 61.300 0.029 0.000 1.485 647 I CB -0.097 37.926 38.000 0.039 0.000 1.103 647 I HN 0.413 nan 8.210 nan 0.000 0.446 648 S N -0.355 115.360 115.700 0.026 0.000 2.607 648 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 648 S C 1.790 176.418 174.600 0.047 0.000 0.969 648 S CA 0.747 58.968 58.200 0.033 0.000 0.927 648 S CB -0.283 62.940 63.200 0.038 0.000 0.772 648 S HN 0.506 nan 8.310 nan 0.000 0.533 649 E N 0.405 120.631 120.200 0.044 0.000 2.216 649 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 649 E C 1.763 178.459 176.600 0.159 0.000 0.973 649 E CA 1.125 57.567 56.400 0.071 0.000 0.851 649 E CB 0.157 29.861 29.700 0.007 0.000 0.804 649 E HN 0.427 nan 8.360 nan 0.000 0.477 650 V N -2.041 117.925 119.914 0.087 0.000 2.949 650 V HA 0.252 4.372 4.120 -0.000 0.000 0.245 650 V C 0.903 176.874 176.094 -0.205 0.000 1.086 650 V CA 0.125 62.472 62.300 0.077 0.000 1.097 650 V CB 0.495 32.429 31.823 0.184 0.000 0.762 650 V HN -0.035 nan 8.190 nan 0.000 0.470 651 V N 4.024 123.812 119.914 -0.209 0.000 2.218 651 V HA 0.341 4.461 4.120 -0.000 0.000 0.261 651 V C 0.785 176.785 176.094 -0.157 0.000 1.142 651 V CA 0.376 62.437 62.300 -0.398 0.000 0.965 651 V CB -0.372 31.291 31.823 -0.266 0.000 1.190 651 V HN 0.711 nan 8.190 nan 0.000 0.478 652 T N 1.927 116.417 114.554 -0.107 0.000 2.860 652 T HA 0.251 4.601 4.350 -0.000 0.000 0.299 652 T C -1.455 173.388 174.700 0.239 0.000 1.045 652 T CA -1.612 60.566 62.100 0.131 0.000 1.071 652 T CB 1.208 70.178 68.868 0.169 0.000 0.985 652 T HN 0.297 nan 8.240 nan 0.000 0.537 653 P HA -0.046 nan 4.420 nan 0.000 0.224 653 P C 1.021 178.390 177.300 0.115 0.000 1.142 653 P CA 0.642 63.820 63.100 0.130 0.000 0.778 653 P CB 0.000 31.753 31.700 0.088 0.000 0.764 654 R N -1.641 118.905 120.500 0.078 0.000 2.340 654 R HA 0.148 4.488 4.340 -0.000 0.000 0.215 654 R C -0.173 175.991 176.300 -0.226 0.000 1.017 654 R CA 0.232 56.242 56.100 -0.149 0.000 1.111 654 R CB -1.042 28.959 30.300 -0.499 0.000 1.049 654 R HN 0.167 nan 8.270 nan 0.000 0.490 655 F N -0.794 119.165 119.950 0.014 0.000 2.540 655 F HA 0.433 4.960 4.527 -0.000 0.000 0.317 655 F C -0.037 175.834 175.800 0.117 0.000 1.104 655 F CA -1.016 57.036 58.000 0.087 0.000 0.913 655 F CB 1.395 40.473 39.000 0.130 0.000 1.170 655 F HN -0.286 nan 8.300 nan 0.000 0.450 656 L N 2.228 123.608 121.223 0.262 0.000 2.334 656 L HA 0.627 4.967 4.340 -0.000 0.000 0.270 656 L C -0.768 176.167 176.870 0.108 0.000 1.018 656 L CA -0.840 54.114 54.840 0.188 0.000 0.811 656 L CB 1.932 44.094 42.059 0.173 0.000 1.271 656 L HN 0.629 nan 8.230 nan 0.000 0.443 657 c N 1.272 119.871 118.600 -0.002 0.000 2.408 657 c HA 0.843 5.413 4.570 -0.000 0.000 0.321 657 c C 0.333 174.318 174.090 -0.174 0.000 1.245 657 c CA -0.060 56.109 56.329 -0.267 0.000 1.523 657 c CB 0.795 43.152 42.510 -0.256 0.000 2.178 657 c HN 0.952 nan 8.230 nan 0.000 0.488 658 T N 2.148 116.538 114.554 -0.274 0.000 2.669 658 T HA 0.931 5.281 4.350 -0.000 0.000 0.283 658 T C 0.284 174.877 174.700 -0.179 0.000 1.019 658 T CA 0.383 62.420 62.100 -0.105 0.000 1.039 658 T CB 0.809 69.712 68.868 0.059 0.000 1.374 658 T HN 2.491 nan 8.240 nan 0.000 0.523 659 G N -1.222 107.539 108.800 -0.065 0.000 2.782 659 G HA2 0.424 4.384 3.960 -0.000 0.000 0.228 659 G HA3 0.424 4.384 3.960 -0.000 0.000 0.228 659 G C 0.442 175.300 174.900 -0.070 0.000 1.372 659 G CA 0.303 45.357 45.100 -0.077 0.000 0.862 659 G HN 2.843 nan 8.290 nan 0.000 0.547 660 G N -3.260 105.494 108.800 -0.077 0.000 2.428 660 G HA2 0.368 4.328 3.960 -0.000 0.000 0.202 660 G HA3 0.368 4.328 3.960 -0.000 0.000 0.202 660 G C 0.788 175.661 174.900 -0.044 0.000 1.247 660 G CA 1.716 46.770 45.100 -0.076 0.000 1.020 660 G HN 2.477 nan 8.290 nan 0.000 0.529 661 V N -3.723 116.160 119.914 -0.051 0.000 3.330 661 V HA 0.748 4.868 4.120 -0.000 0.000 0.309 661 V C 0.445 176.495 176.094 -0.074 0.000 1.481 661 V CA 1.135 63.408 62.300 -0.045 0.000 1.068 661 V CB 0.431 32.221 31.823 -0.055 0.000 0.935 661 V HN 1.872 nan 8.190 nan 0.000 0.453 662 S N 1.449 117.098 115.700 -0.085 0.000 2.547 662 S HA 0.697 5.167 4.470 -0.000 0.000 0.281 662 S C -2.268 172.246 174.600 -0.143 0.000 1.118 662 S CA -0.775 57.337 58.200 -0.147 0.000 0.947 662 S CB 2.374 65.498 63.200 -0.126 0.000 1.053 662 S HN 0.208 nan 8.310 nan 0.000 0.482 663 P HA 0.165 nan 4.420 nan 0.000 0.241 663 P C -0.756 176.092 177.300 -0.752 0.000 1.191 663 P CA 0.569 63.377 63.100 -0.486 0.000 0.771 663 P CB -0.082 31.283 31.700 -0.559 0.000 0.929 664 Y N -1.071 119.095 120.300 -0.224 0.000 2.609 664 Y HA 0.570 5.120 4.550 -0.000 0.000 0.342 664 Y C 0.257 176.149 175.900 -0.014 0.000 1.058 664 Y CA -1.661 56.377 58.100 -0.104 0.000 1.055 664 Y CB 1.015 39.434 38.460 -0.070 0.000 1.292 664 Y HN -0.295 nan 8.280 nan 0.000 0.476 665 A N 1.893 124.819 122.820 0.178 0.000 2.785 665 A HA 0.194 4.514 4.320 -0.000 0.000 0.294 665 A C -0.821 176.846 177.584 0.138 0.000 1.597 665 A CA -0.312 51.789 52.037 0.107 0.000 1.283 665 A CB -1.119 17.923 19.000 0.070 0.000 1.088 665 A HN 0.560 nan 8.150 nan 0.000 0.568 666 D N 3.399 123.886 120.400 0.145 0.000 2.350 666 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 666 D C -2.112 174.258 176.300 0.117 0.000 1.119 666 D CA -0.983 53.115 54.000 0.164 0.000 0.886 666 D CB 0.624 41.533 40.800 0.181 0.000 1.195 666 D HN 0.271 nan 8.370 nan 0.000 0.437 667 P HA 0.103 nan 4.420 nan 0.000 0.271 667 P C -0.661 176.759 177.300 0.200 0.000 1.244 667 P CA -0.139 63.064 63.100 0.172 0.000 0.793 667 P CB 0.686 32.502 31.700 0.195 0.000 0.984 668 N N -1.681 117.120 118.700 0.168 0.000 2.328 668 N HA 0.483 5.223 4.740 -0.000 0.000 0.299 668 N C -0.802 174.730 175.510 0.037 0.000 1.179 668 N CA -0.761 52.308 53.050 0.031 0.000 0.793 668 N CB 1.210 39.681 38.487 -0.026 0.000 1.366 668 N HN 0.379 nan 8.380 nan 0.000 0.493 669 T N -1.665 112.762 114.554 -0.212 0.000 2.845 669 T HA 0.484 4.833 4.350 -0.000 0.000 0.288 669 T C 0.082 174.758 174.700 -0.040 0.000 0.980 669 T CA -0.586 61.389 62.100 -0.209 0.000 1.071 669 T CB 0.115 68.731 68.868 -0.420 0.000 0.941 669 T HN 0.389 nan 8.240 nan 0.000 0.487 670 c N 2.540 121.168 118.600 0.046 0.000 2.354 670 c HA 0.552 5.122 4.570 -0.000 0.000 0.381 670 c C 2.119 176.243 174.090 0.055 0.000 1.240 670 c CA -0.900 55.459 56.329 0.050 0.000 2.089 670 c CB 1.158 43.709 42.510 0.068 0.000 2.234 670 c HN 1.008 nan 8.230 nan 0.000 0.544 671 R N 1.170 121.704 120.500 0.057 0.000 2.103 671 R HA -0.045 4.295 4.340 -0.000 0.000 0.242 671 R C 2.209 178.543 176.300 0.056 0.000 1.142 671 R CA 1.851 57.991 56.100 0.067 0.000 0.960 671 R CB -1.204 29.129 30.300 0.056 0.000 0.858 671 R HN 0.978 nan 8.270 nan 0.000 0.439 672 G N 0.236 109.066 108.800 0.050 0.000 2.448 672 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 672 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 672 G C 0.668 175.608 174.900 0.066 0.000 1.127 672 G CA 0.852 45.980 45.100 0.046 0.000 0.766 672 G HN 0.265 nan 8.290 nan 0.000 0.552 673 D N 0.265 120.719 120.400 0.090 0.000 2.363 673 D HA 0.048 4.687 4.640 -0.000 0.000 0.220 673 D C 1.457 177.821 176.300 0.107 0.000 0.994 673 D CA 0.148 54.222 54.000 0.123 0.000 0.890 673 D CB -0.023 40.883 40.800 0.177 0.000 0.906 673 D HN 0.192 nan 8.370 nan 0.000 0.530 674 S N -0.441 115.315 115.700 0.093 0.000 2.563 674 S HA 0.245 4.715 4.470 -0.000 0.000 0.294 674 S C 1.463 176.115 174.600 0.087 0.000 1.279 674 S CA 0.946 59.219 58.200 0.121 0.000 1.069 674 S CB 0.183 63.472 63.200 0.150 0.000 0.828 674 S HN 0.493 nan 8.310 nan 0.000 0.497 675 G N 3.126 112.002 108.800 0.127 0.000 2.175 675 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 675 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 675 G C 0.492 175.465 174.900 0.122 0.000 0.982 675 G CA 0.034 45.198 45.100 0.107 0.000 0.641 675 G HN 1.296 nan 8.290 nan 0.000 0.527 676 G N 0.435 109.314 108.800 0.130 0.000 2.491 676 G HA2 0.533 4.493 3.960 -0.000 0.000 0.242 676 G HA3 0.533 4.493 3.960 -0.000 0.000 0.242 676 G C -2.162 172.807 174.900 0.116 0.000 1.266 676 G CA -0.474 44.716 45.100 0.149 0.000 0.844 676 G HN 0.247 nan 8.290 nan 0.000 0.571 677 P HA 0.199 nan 4.420 nan 0.000 0.280 677 P C -0.519 176.781 177.300 0.000 0.000 1.244 677 P CA -0.659 62.465 63.100 0.039 0.000 0.784 677 P CB 1.338 33.042 31.700 0.006 0.000 0.913 678 L N 5.122 126.295 121.223 -0.084 0.000 2.270 678 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 678 L C -0.777 176.046 176.870 -0.078 0.000 1.059 678 L CA -0.099 54.660 54.840 -0.135 0.000 0.839 678 L CB -0.710 41.177 42.059 -0.288 0.000 1.221 678 L HN 0.237 nan 8.230 nan 0.000 0.431 679 I N 4.755 125.305 120.570 -0.033 0.000 2.525 679 I HA 0.418 4.588 4.170 -0.000 0.000 0.301 679 I C -0.524 175.602 176.117 0.016 0.000 0.992 679 I CA -1.036 60.251 61.300 -0.022 0.000 1.162 679 I CB 1.923 39.931 38.000 0.013 0.000 1.332 679 I HN 0.121 nan 8.210 nan 0.000 0.458 680 V N 4.038 123.950 119.914 -0.004 0.000 2.284 680 V HA 0.123 4.243 4.120 -0.000 0.000 0.274 680 V C -0.193 175.864 176.094 -0.062 0.000 1.023 680 V CA -0.651 61.636 62.300 -0.022 0.000 0.808 680 V CB 0.483 32.287 31.823 -0.031 0.000 1.035 680 V HN 0.605 nan 8.190 nan 0.000 0.445 681 H N 6.092 125.054 119.070 -0.179 0.000 3.145 681 H HA 0.322 4.877 4.556 -0.000 0.000 0.263 681 H C -0.291 174.846 175.328 -0.317 0.000 1.057 681 H CA 0.638 56.450 56.048 -0.394 0.000 1.477 681 H CB 0.132 29.676 29.762 -0.363 0.000 1.529 681 H HN 0.412 nan 8.280 nan 0.000 0.508 682 K N 4.847 124.869 120.400 -0.629 0.000 2.513 682 K HA 0.259 4.579 4.320 -0.000 0.000 0.251 682 K C -0.105 176.203 176.600 -0.487 0.000 0.939 682 K CA -0.896 55.089 56.287 -0.504 0.000 0.793 682 K CB 2.110 34.447 32.500 -0.271 0.000 1.241 682 K HN 0.677 nan 8.250 nan 0.000 0.431 683 R N 0.685 120.926 120.500 -0.432 0.000 3.423 683 R HA -0.171 4.169 4.340 -0.000 0.000 0.271 683 R C -0.329 175.782 176.300 -0.315 0.000 1.093 683 R CA 0.887 56.803 56.100 -0.305 0.000 0.730 683 R CB -3.000 27.172 30.300 -0.212 0.000 1.190 683 R HN 0.965 nan 8.270 nan 0.000 0.437 684 S N -2.381 113.069 115.700 -0.418 0.000 3.011 684 S HA -0.236 4.234 4.470 -0.000 0.000 0.278 684 S C 0.557 175.026 174.600 -0.218 0.000 1.300 684 S CA 1.961 60.028 58.200 -0.222 0.000 1.248 684 S CB -0.387 62.723 63.200 -0.149 0.000 1.517 684 S HN 0.480 nan 8.310 nan 0.000 0.685 685 R N -0.622 119.671 120.500 -0.344 0.000 2.782 685 R HA 0.746 5.086 4.340 -0.000 0.000 0.258 685 R C -0.720 175.332 176.300 -0.415 0.000 1.055 685 R CA -0.487 55.468 56.100 -0.242 0.000 1.065 685 R CB 0.376 30.567 30.300 -0.181 0.000 1.172 685 R HN 0.190 nan 8.270 nan 0.000 0.510 686 F N 1.396 121.292 119.950 -0.090 0.000 2.460 686 F HA 0.435 4.962 4.527 -0.000 0.000 0.341 686 F C -0.033 175.591 175.800 -0.292 0.000 1.130 686 F CA -0.767 57.124 58.000 -0.181 0.000 0.962 686 F CB 1.370 40.173 39.000 -0.327 0.000 1.171 686 F HN 0.025 nan 8.300 nan 0.000 0.436 687 I N 3.049 123.557 120.570 -0.103 0.000 2.406 687 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 687 I C -0.245 175.786 176.117 -0.143 0.000 0.999 687 I CA -0.798 60.419 61.300 -0.138 0.000 1.124 687 I CB 1.514 39.455 38.000 -0.099 0.000 1.289 687 I HN 0.634 nan 8.210 nan 0.000 0.441 688 Q N 4.690 124.376 119.800 -0.191 0.000 2.288 688 Q HA 0.377 4.717 4.340 -0.000 0.000 0.258 688 Q C 0.211 176.145 176.000 -0.111 0.000 0.957 688 Q CA -0.172 55.532 55.803 -0.165 0.000 0.919 688 Q CB 1.450 30.073 28.738 -0.192 0.000 1.185 688 Q HN 0.687 nan 8.270 nan 0.000 0.408 689 V N 0.320 120.199 119.914 -0.059 0.000 3.337 689 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 689 V C 0.100 176.206 176.094 0.021 0.000 1.505 689 V CA 0.346 62.648 62.300 0.003 0.000 1.072 689 V CB 0.536 32.436 31.823 0.128 0.000 0.929 689 V HN 0.639 nan 8.190 nan 0.000 0.455 690 G N -0.559 108.227 108.800 -0.023 0.000 2.646 690 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 690 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 690 G C -1.935 172.957 174.900 -0.013 0.000 1.445 690 G CA -0.420 44.675 45.100 -0.007 0.000 0.814 690 G HN 0.425 nan 8.290 nan 0.000 0.495 691 V N 1.555 121.492 119.914 0.039 0.000 2.524 691 V HA 0.318 4.438 4.120 -0.000 0.000 0.297 691 V C 0.371 176.563 176.094 0.163 0.000 1.035 691 V CA -0.597 61.746 62.300 0.071 0.000 0.867 691 V CB 1.420 33.281 31.823 0.063 0.000 1.004 691 V HN 0.739 nan 8.190 nan 0.000 0.426 692 I N 3.393 124.086 120.570 0.204 0.000 2.943 692 I HA -0.105 4.065 4.170 -0.000 0.000 0.296 692 I C 1.366 177.626 176.117 0.238 0.000 1.220 692 I CA 0.939 62.425 61.300 0.310 0.000 1.409 692 I CB 0.547 38.655 38.000 0.180 0.000 1.374 692 I HN 0.797 nan 8.210 nan 0.000 0.545 693 S N 7.718 123.525 115.700 0.178 0.000 2.655 693 S HA 0.216 4.686 4.470 -0.000 0.000 0.231 693 S C -0.218 174.450 174.600 0.114 0.000 1.044 693 S CA -0.151 58.199 58.200 0.250 0.000 0.910 693 S CB 0.510 63.928 63.200 0.363 0.000 0.833 693 S HN 0.755 nan 8.310 nan 0.000 0.581 694 W N -0.363 120.777 121.300 -0.266 0.000 2.937 694 W HA 0.642 5.302 4.660 -0.000 0.000 0.360 694 W C -0.655 175.727 176.519 -0.228 0.000 1.215 694 W CA -0.664 56.422 57.345 -0.433 0.000 1.183 694 W CB 0.268 29.081 29.460 -1.078 0.000 1.458 694 W HN 0.310 nan 8.180 nan 0.000 0.574 695 G N -0.261 108.456 108.800 -0.137 0.000 2.733 695 G HA2 0.524 4.483 3.960 -0.000 0.000 0.288 695 G HA3 0.524 4.483 3.960 -0.000 0.000 0.288 695 G C -0.780 174.091 174.900 -0.049 0.000 1.373 695 G CA -0.385 44.553 45.100 -0.269 0.000 0.895 695 G HN 0.397 nan 8.290 nan 0.000 0.479 696 V N -0.627 119.240 119.914 -0.080 0.000 2.426 696 V HA 0.129 4.249 4.120 -0.000 0.000 0.242 696 V C 0.743 176.900 176.094 0.104 0.000 1.036 696 V CA 0.789 63.141 62.300 0.087 0.000 1.044 696 V CB 0.110 32.006 31.823 0.121 0.000 0.688 696 V HN 0.360 nan 8.190 nan 0.000 0.462 697 V N 0.644 120.575 119.914 0.027 0.000 2.604 697 V HA 0.396 4.516 4.120 -0.000 0.000 0.305 697 V C -0.581 175.513 176.094 -0.000 0.000 1.043 697 V CA -0.593 61.722 62.300 0.026 0.000 0.888 697 V CB 1.799 33.602 31.823 -0.032 0.000 0.995 697 V HN 0.290 nan 8.190 nan 0.000 0.429 698 D N 3.095 123.510 120.400 0.025 0.000 2.713 698 D HA 0.073 4.713 4.640 -0.000 0.000 0.229 698 D C 1.320 177.627 176.300 0.011 0.000 1.136 698 D CA 0.022 54.035 54.000 0.022 0.000 1.010 698 D CB 0.744 41.570 40.800 0.043 0.000 1.084 698 D HN 0.465 nan 8.370 nan 0.000 0.495 699 V N 0.188 120.097 119.914 -0.009 0.000 2.688 699 V HA -0.187 3.933 4.120 -0.000 0.000 0.256 699 V C 1.700 177.799 176.094 0.008 0.000 1.084 699 V CA 0.873 63.167 62.300 -0.011 0.000 1.103 699 V CB -1.133 30.673 31.823 -0.027 0.000 0.688 699 V HN 0.563 nan 8.190 nan 0.000 0.480 700 c N 2.804 121.414 118.600 0.017 0.000 3.305 700 c HA 0.273 4.843 4.570 -0.000 0.000 0.566 700 c C 2.120 176.229 174.090 0.031 0.000 1.178 700 c CA -0.368 55.978 56.329 0.029 0.000 1.317 700 c CB -2.420 40.113 42.510 0.039 0.000 1.634 700 c HN 0.749 nan 8.230 nan 0.000 0.643 701 K N 2.256 122.672 120.400 0.027 0.000 2.220 701 K HA -0.250 4.070 4.320 -0.000 0.000 0.229 701 K C 0.231 176.852 176.600 0.035 0.000 0.800 701 K CA 1.972 58.277 56.287 0.030 0.000 0.965 701 K CB -0.222 32.293 32.500 0.026 0.000 0.560 701 K HN 0.791 nan 8.250 nan 0.000 0.785 702 N N -0.206 118.514 118.700 0.034 0.000 2.629 702 N HA 0.006 4.746 4.740 -0.000 0.000 0.277 702 N C -1.285 174.247 175.510 0.038 0.000 1.188 702 N CA 0.428 53.501 53.050 0.038 0.000 0.835 702 N CB 1.464 39.974 38.487 0.039 0.000 1.420 702 N HN 0.491 nan 8.380 nan 0.000 0.542 703 Q N 0.608 120.432 119.800 0.040 0.000 2.460 703 Q HA -0.223 4.116 4.340 -0.000 0.000 0.248 703 Q C -1.468 174.551 176.000 0.032 0.000 0.847 703 Q CA 1.709 57.536 55.803 0.039 0.000 1.214 703 Q CB -1.553 27.210 28.738 0.040 0.000 1.523 703 Q HN 0.542 nan 8.270 nan 0.000 0.602 704 K N -0.184 120.235 120.400 0.031 0.000 2.522 704 K HA 0.758 5.078 4.320 -0.000 0.000 0.275 704 K C -1.262 175.355 176.600 0.028 0.000 1.006 704 K CA -0.697 55.605 56.287 0.026 0.000 0.890 704 K CB 1.800 34.314 32.500 0.022 0.000 1.475 704 K HN 0.379 nan 8.250 nan 0.000 0.441 705 R N 1.223 121.737 120.500 0.024 0.000 2.792 705 R HA 0.349 4.689 4.340 -0.000 0.000 0.285 705 R C -0.820 175.490 176.300 0.018 0.000 1.207 705 R CA -0.637 55.478 56.100 0.025 0.000 1.091 705 R CB 1.319 31.641 30.300 0.038 0.000 1.263 705 R HN 0.797 nan 8.270 nan 0.000 0.403 706 Q N 1.572 121.378 119.800 0.011 0.000 2.654 706 Q HA 0.066 4.406 4.340 -0.000 0.000 0.320 706 Q C -0.850 175.150 176.000 -0.000 0.000 0.673 706 Q CA -0.137 55.669 55.803 0.006 0.000 1.087 706 Q CB 0.193 28.936 28.738 0.007 0.000 1.182 706 Q HN 0.636 nan 8.270 nan 0.000 0.473 707 K N -0.792 119.608 120.400 -0.001 0.000 9.746 707 K HA -0.265 4.055 4.320 -0.000 0.000 0.453 707 K C -0.670 175.925 176.600 -0.009 0.000 0.567 707 K CA 2.006 58.292 56.287 -0.002 0.000 1.620 707 K CB -1.072 31.429 32.500 0.000 0.000 0.787 707 K HN 0.553 nan 8.250 nan 0.000 1.126 708 Q N 1.617 121.409 119.800 -0.013 0.000 2.558 708 Q HA 0.384 4.724 4.340 -0.000 0.000 0.252 708 Q C -1.107 174.868 176.000 -0.042 0.000 1.015 708 Q CA -0.500 55.289 55.803 -0.023 0.000 0.720 708 Q CB 1.936 30.664 28.738 -0.016 0.000 1.215 708 Q HN 0.324 nan 8.270 nan 0.000 0.500 709 V N -0.008 119.873 119.914 -0.055 0.000 2.432 709 V HA 0.562 4.682 4.120 -0.000 0.000 0.275 709 V C -2.224 173.784 176.094 -0.144 0.000 1.043 709 V CA -1.934 60.312 62.300 -0.090 0.000 0.925 709 V CB 0.144 31.923 31.823 -0.074 0.000 0.985 709 V HN 0.430 nan 8.190 nan 0.000 0.466 710 P HA 0.369 nan 4.420 nan 0.000 0.269 710 P C 0.739 177.803 177.300 -0.393 0.000 1.215 710 P CA 0.018 62.875 63.100 -0.405 0.000 0.780 710 P CB 1.019 32.214 31.700 -0.842 0.000 0.898 711 A N 1.405 124.036 122.820 -0.314 0.000 2.067 711 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 711 A C 1.340 178.801 177.584 -0.205 0.000 1.156 711 A CA 1.265 53.185 52.037 -0.194 0.000 0.683 711 A CB -1.316 17.625 19.000 -0.099 0.000 0.808 711 A HN 0.825 nan 8.150 nan 0.000 0.455 712 H N -2.252 116.674 119.070 -0.240 0.000 2.526 712 H HA 0.630 5.185 4.556 -0.000 0.000 0.274 712 H C 0.649 175.865 175.328 -0.187 0.000 0.999 712 H CA 0.103 55.988 56.048 -0.271 0.000 1.157 712 H CB -0.462 28.928 29.762 -0.621 0.000 1.407 712 H HN 0.249 nan 8.280 nan 0.000 0.568 713 A N 2.464 125.068 122.820 -0.359 0.000 2.785 713 A HA 0.193 4.513 4.320 -0.000 0.000 0.294 713 A C -0.015 177.440 177.584 -0.214 0.000 1.597 713 A CA -0.567 51.320 52.037 -0.250 0.000 1.283 713 A CB -0.368 18.486 19.000 -0.243 0.000 1.088 713 A HN 0.307 nan 8.150 nan 0.000 0.568 714 R N 1.706 122.063 120.500 -0.240 0.000 2.668 714 R HA 0.526 4.866 4.340 -0.000 0.000 0.279 714 R C -1.391 174.541 176.300 -0.614 0.000 0.976 714 R CA -0.746 55.099 56.100 -0.425 0.000 0.978 714 R CB 1.182 31.175 30.300 -0.511 0.000 1.133 714 R HN 0.507 nan 8.270 nan 0.000 0.484 715 D N 1.535 121.484 120.400 -0.751 0.000 2.375 715 D HA 0.390 5.030 4.640 -0.000 0.000 0.247 715 D C -0.665 174.885 176.300 -1.250 0.000 1.061 715 D CA -0.204 53.295 54.000 -0.835 0.000 0.834 715 D CB 1.206 41.676 40.800 -0.551 0.000 1.247 715 D HN 0.181 nan 8.370 nan 0.000 0.489 716 F N 1.651 120.959 119.950 -1.071 0.000 2.469 716 F HA 0.355 4.882 4.527 -0.000 0.000 0.332 716 F C 0.688 176.018 175.800 -0.784 0.000 1.103 716 F CA -0.638 56.851 58.000 -0.851 0.000 0.979 716 F CB 1.512 40.001 39.000 -0.851 0.000 1.137 716 F HN 0.140 nan 8.300 nan 0.000 0.463 717 H N 3.464 122.584 119.070 0.083 0.000 2.690 717 H HA 0.395 4.951 4.556 -0.000 0.000 0.368 717 H C -0.610 174.642 175.328 -0.127 0.000 1.150 717 H CA -0.895 55.143 56.048 -0.017 0.000 1.174 717 H CB 2.309 32.044 29.762 -0.045 0.000 1.684 717 H HN 0.307 nan 8.280 nan 0.000 0.538 718 I N 2.567 123.070 120.570 -0.112 0.000 2.421 718 I HA -0.076 4.094 4.170 -0.000 0.000 0.291 718 I C 0.964 177.006 176.117 -0.124 0.000 1.089 718 I CA -0.280 60.834 61.300 -0.310 0.000 1.354 718 I CB -0.787 37.038 38.000 -0.293 0.000 1.413 718 I HN 0.436 nan 8.210 nan 0.000 0.513 719 N N 6.473 125.114 118.700 -0.099 0.000 2.440 719 N HA 0.008 4.748 4.740 -0.000 0.000 0.265 719 N C 0.907 176.431 175.510 0.023 0.000 1.239 719 N CA 0.159 53.228 53.050 0.031 0.000 0.909 719 N CB 0.881 39.426 38.487 0.096 0.000 1.066 719 N HN 0.503 nan 8.380 nan 0.000 0.474 720 L N 3.083 124.313 121.223 0.012 0.000 2.465 720 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 720 L C 1.197 178.005 176.870 -0.104 0.000 1.145 720 L CA 0.609 55.408 54.840 -0.069 0.000 0.834 720 L CB -0.267 41.700 42.059 -0.154 0.000 0.944 720 L HN 0.520 nan 8.230 nan 0.000 0.451 721 F N -0.542 119.435 119.950 0.046 0.000 2.512 721 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 721 F C 2.462 178.299 175.800 0.061 0.000 1.110 721 F CA 0.558 58.593 58.000 0.059 0.000 1.446 721 F CB 0.026 39.052 39.000 0.043 0.000 1.092 721 F HN 0.075 nan 8.300 nan 0.000 0.554 722 Q N 0.023 119.936 119.800 0.188 0.000 2.424 722 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 722 Q C 1.442 177.522 176.000 0.135 0.000 0.933 722 Q CA 0.778 56.651 55.803 0.117 0.000 0.929 722 Q CB 0.356 29.096 28.738 0.003 0.000 1.037 722 Q HN 0.431 nan 8.270 nan 0.000 0.511 723 V N -2.654 117.341 119.914 0.136 0.000 2.988 723 V HA 0.148 4.268 4.120 -0.000 0.000 0.356 723 V C 1.419 177.666 176.094 0.255 0.000 1.380 723 V CA -0.167 62.272 62.300 0.231 0.000 1.184 723 V CB -0.318 31.586 31.823 0.134 0.000 1.204 723 V HN 0.008 nan 8.190 nan 0.000 0.530 724 L N 1.876 123.200 121.223 0.169 0.000 1.989 724 L HA 0.096 4.436 4.340 -0.000 0.000 0.211 724 L C -0.201 176.691 176.870 0.036 0.000 1.071 724 L CA 2.675 57.570 54.840 0.093 0.000 0.749 724 L CB -1.449 40.675 42.059 0.107 0.000 0.890 724 L HN 0.290 nan 8.230 nan 0.000 0.431 725 P HA -0.203 nan 4.420 nan 0.000 0.218 725 P C 1.067 178.392 177.300 0.043 0.000 1.146 725 P CA 1.609 64.738 63.100 0.049 0.000 0.813 725 P CB -0.285 31.481 31.700 0.109 0.000 0.778 726 W N 0.130 121.415 121.300 -0.024 0.000 2.444 726 W HA -0.030 4.630 4.660 -0.000 0.000 0.308 726 W C 1.937 178.369 176.519 -0.144 0.000 1.183 726 W CA 1.060 58.376 57.345 -0.048 0.000 1.340 726 W CB -0.899 28.634 29.460 0.122 0.000 1.138 726 W HN -0.267 nan 8.180 nan 0.000 0.510 727 L N 1.022 122.210 121.223 -0.058 0.000 2.187 727 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 727 L C 2.442 178.832 176.870 -0.800 0.000 1.100 727 L CA 1.589 56.194 54.840 -0.392 0.000 0.765 727 L CB -0.829 41.180 42.059 -0.083 0.000 0.904 727 L HN -0.010 nan 8.230 nan 0.000 0.437 728 K N -0.045 119.877 120.400 -0.797 0.000 2.365 728 K HA -0.189 4.131 4.320 -0.000 0.000 0.199 728 K C 1.907 178.179 176.600 -0.546 0.000 1.045 728 K CA 0.849 56.578 56.287 -0.931 0.000 0.962 728 K CB 0.327 32.487 32.500 -0.567 0.000 0.759 728 K HN 0.151 nan 8.250 nan 0.000 0.469 729 E N 0.438 120.346 120.200 -0.487 0.000 2.099 729 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 729 E C 1.420 177.759 176.600 -0.436 0.000 0.962 729 E CA 1.053 57.223 56.400 -0.383 0.000 0.826 729 E CB 0.239 29.743 29.700 -0.327 0.000 0.788 729 E HN -0.010 nan 8.360 nan 0.000 0.461 730 K N 0.297 120.307 120.400 -0.650 0.000 2.116 730 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 730 K C 1.399 177.622 176.600 -0.629 0.000 1.052 730 K CA 0.681 56.576 56.287 -0.654 0.000 0.952 730 K CB -0.121 31.815 32.500 -0.939 0.000 0.729 730 K HN 0.246 nan 8.250 nan 0.000 0.446 731 L N 2.874 123.732 121.223 -0.608 0.000 2.805 731 L HA 0.106 4.446 4.340 -0.000 0.000 0.237 731 L C 1.999 178.776 176.870 -0.155 0.000 1.252 731 L CA -0.183 54.413 54.840 -0.407 0.000 1.064 731 L CB -0.334 41.594 42.059 -0.218 0.000 1.361 731 L HN 0.205 nan 8.230 nan 0.000 0.474 732 Q N -1.197 118.490 119.800 -0.188 0.000 2.172 732 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 732 Q C 0.431 176.418 176.000 -0.021 0.000 0.964 732 Q CA 1.164 56.914 55.803 -0.088 0.000 0.855 732 Q CB 0.032 28.700 28.738 -0.118 0.000 0.918 732 Q HN 0.326 nan 8.270 nan 0.000 0.444 733 D N 0.537 120.921 120.400 -0.026 0.000 2.340 733 D HA 0.013 4.653 4.640 -0.000 0.000 0.217 733 D C 0.683 177.017 176.300 0.057 0.000 1.081 733 D CA 0.154 54.162 54.000 0.014 0.000 0.842 733 D CB 0.400 41.203 40.800 0.005 0.000 0.934 733 D HN 0.261 nan 8.370 nan 0.000 0.511 734 E N 0.606 120.846 120.200 0.067 0.000 2.502 734 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 734 E C 0.107 176.770 176.600 0.105 0.000 1.062 734 E CA 0.096 56.569 56.400 0.122 0.000 0.867 734 E CB -0.010 29.767 29.700 0.127 0.000 0.888 734 E HN 0.082 nan 8.360 nan 0.000 0.510 735 D N 0.372 120.819 120.400 0.078 0.000 2.697 735 D HA -0.204 4.436 4.640 -0.000 0.000 0.238 735 D C 0.499 176.822 176.300 0.038 0.000 1.152 735 D CA 0.261 54.296 54.000 0.059 0.000 0.666 735 D CB -1.159 39.677 40.800 0.060 0.000 1.037 735 D HN 0.248 nan 8.370 nan 0.000 0.423 736 L N -0.112 121.125 121.223 0.023 0.000 2.221 736 L HA 0.228 4.568 4.340 -0.000 0.000 0.202 736 L C 2.020 178.803 176.870 -0.146 0.000 1.074 736 L CA 0.751 55.538 54.840 -0.089 0.000 0.795 736 L CB -0.103 41.840 42.059 -0.194 0.000 0.960 736 L HN 0.458 nan 8.230 nan 0.000 0.458 737 G N 0.172 108.927 108.800 -0.074 0.000 2.288 737 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.205 737 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.205 737 G C -0.085 174.769 174.900 -0.076 0.000 1.071 737 G CA -0.729 44.339 45.100 -0.052 0.000 0.788 737 G HN 0.005 nan 8.290 nan 0.000 0.491 738 F N -0.194 119.736 119.950 -0.033 0.000 2.589 738 F HA 0.339 4.866 4.527 -0.000 0.000 0.352 738 F C 1.680 177.470 175.800 -0.016 0.000 1.168 738 F CA 0.099 58.080 58.000 -0.032 0.000 1.353 738 F CB 0.493 39.466 39.000 -0.044 0.000 1.116 738 F HN 0.059 nan 8.300 nan 0.000 0.608 739 L N 3.543 124.880 121.223 0.189 0.000 2.313 739 L HA 0.201 4.540 4.340 -0.000 0.000 0.282 739 L C 1.240 178.178 176.870 0.113 0.000 1.092 739 L CA -0.467 54.442 54.840 0.115 0.000 0.831 739 L CB 0.828 42.942 42.059 0.092 0.000 1.159 739 L HN 0.880 nan 8.230 nan 0.000 0.442 740 A N 3.323 126.190 122.820 0.078 0.000 2.076 740 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 740 A C 1.442 179.057 177.584 0.053 0.000 1.160 740 A CA 1.308 53.379 52.037 0.056 0.000 0.653 740 A CB -0.256 18.768 19.000 0.040 0.000 0.801 740 A HN 0.814 nan 8.150 nan 0.000 0.455 741 A N 0.000 122.856 122.820 0.060 0.000 2.254 741 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 741 A CA 0.000 52.072 52.037 0.059 0.000 0.836 741 A CB 0.000 19.034 19.000 0.056 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486