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_I 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 0.000 176.706 176.600 0.176 0.000 0.988 235 K CA 0.000 56.366 56.287 0.131 0.000 0.838 235 K CB 0.000 32.558 32.500 0.096 0.000 1.064 236 I N 1.967 122.600 120.570 0.104 0.000 2.173 236 I HA 0.049 4.219 4.170 -0.001 0.000 0.207 236 I C -0.720 175.408 176.117 0.020 0.000 1.449 236 I CA -0.788 60.569 61.300 0.095 0.000 1.290 236 I CB 0.530 38.615 38.000 0.141 0.000 1.772 236 I HN 0.030 nan 8.210 nan 0.000 0.376 237 V N 4.376 124.283 119.914 -0.011 0.000 2.953 237 V HA 0.188 4.307 4.120 -0.001 0.000 0.304 237 V C -0.522 175.552 176.094 -0.034 0.000 1.138 237 V CA 0.312 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 5.582 126.789 121.223 -0.027 0.000 2.492 238 L HA 0.682 5.021 4.340 -0.001 0.000 0.258 238 L C -1.518 175.359 176.870 0.011 0.000 1.028 238 L CA -0.002 54.816 54.840 -0.036 0.000 0.900 238 L CB 0.745 42.743 42.059 -0.102 0.000 1.191 238 L HN 1.225 nan 8.230 nan 0.000 0.459 239 D N 3.087 123.492 120.400 0.008 0.000 2.745 239 D HA 0.335 4.974 4.640 -0.001 0.000 0.221 239 D C -2.714 173.594 176.300 0.013 0.000 1.237 239 D CA -1.104 52.911 54.000 0.024 0.000 0.781 239 D CB 1.234 42.048 40.800 0.024 0.000 1.575 239 D HN 0.064 nan 8.370 nan 0.000 0.482 240 P HA -0.004 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 0.705 63.812 63.100 0.012 0.000 0.763 240 P CB 0.074 31.782 31.700 0.015 0.000 0.835 241 S N -1.592 114.115 115.700 0.012 0.000 2.660 241 S HA 0.232 4.701 4.470 -0.001 0.000 0.228 241 S C 0.952 175.558 174.600 0.010 0.000 0.966 241 S CA 0.238 58.444 58.200 0.011 0.000 0.940 241 S CB -0.733 62.475 63.200 0.013 0.000 0.773 241 S HN 0.196 nan 8.310 nan 0.000 0.535 242 G N 0.651 109.455 108.800 0.008 0.000 2.691 242 G HA2 0.455 4.415 3.960 -0.001 0.000 0.298 242 G HA3 0.455 4.415 3.960 -0.001 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 1.136 116.837 115.700 0.001 0.000 2.579 243 S HA 0.701 5.170 4.470 -0.001 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 1.570 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 -0.079 0.000 2.667 244 M HA 0.515 4.995 4.480 -0.001 0.000 0.286 244 M C -1.951 174.237 176.300 -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 34.638 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 -0.218 0.000 2.260 245 N HA 0.546 5.285 4.740 -0.001 0.000 0.293 245 N C -1.725 173.586 175.510 -0.331 0.000 1.058 245 N CA -0.300 52.548 53.050 -0.337 0.000 0.824 245 N CB 2.300 40.583 38.487 -0.340 0.000 1.551 245 N HN 0.599 nan 8.380 nan 0.000 0.475 246 I N 2.725 123.003 120.570 -0.488 0.000 2.464 246 I HA 0.239 4.409 4.170 -0.001 0.000 0.277 246 I C -0.862 175.135 176.117 -0.199 0.000 1.040 246 I CA -0.624 60.509 61.300 -0.279 0.000 1.153 246 I CB 0.523 38.301 38.000 -0.369 0.000 1.274 246 I HN 0.344 nan 8.210 nan 0.000 0.469 247 Y N 6.340 126.705 120.300 0.109 0.000 2.600 247 Y HA 0.324 4.873 4.550 -0.001 0.000 0.351 247 Y C 0.284 176.270 175.900 0.143 0.000 1.042 247 Y CA -0.488 57.693 58.100 0.136 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 5.158 126.524 121.223 0.238 0.000 2.312 248 L HA 0.334 4.674 4.340 -0.001 0.000 0.287 248 L C -0.531 176.446 176.870 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 42.212 42.059 0.112 0.000 1.219 248 L HN 0.316 nan 8.230 nan 0.000 0.439 249 V N 4.777 124.804 119.914 0.188 0.000 2.394 249 V HA 0.414 4.534 4.120 -0.001 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 5.013 4.340 -0.001 0.000 0.271 250 L C -0.680 176.371 176.870 0.303 0.000 0.993 250 L CA -0.206 54.761 54.840 0.211 0.000 0.819 250 L CB 1.908 43.964 42.059 -0.004 0.000 1.294 250 L HN 0.697 nan 8.230 nan 0.000 0.414 251 D N 2.417 122.929 120.400 0.187 0.000 2.225 251 D HA 0.550 5.190 4.640 -0.001 0.000 0.248 251 D C 0.478 176.833 176.300 0.093 0.000 1.096 251 D CA 0.138 54.061 54.000 -0.129 0.000 0.863 251 D CB 1.769 42.529 40.800 -0.066 0.000 1.156 251 D HN 0.691 nan 8.370 nan 0.000 0.450 252 G N 1.876 110.607 108.800 -0.115 0.000 4.100 252 G HA2 0.207 4.166 3.960 -0.001 0.000 0.294 252 G HA3 0.207 4.166 3.960 -0.001 0.000 0.294 252 G C 0.317 174.967 174.900 -0.417 0.000 1.040 252 G CA -0.034 44.889 45.100 -0.295 0.000 0.829 252 G HN 0.496 nan 8.290 nan 0.000 0.505 253 S N -0.819 114.736 115.700 -0.242 0.000 2.686 253 S HA 0.266 4.735 4.470 -0.001 0.000 0.270 253 S C 0.808 175.403 174.600 -0.009 0.000 1.194 253 S CA -0.235 57.878 58.200 -0.145 0.000 0.990 253 S CB 1.537 64.663 63.200 -0.123 0.000 1.029 253 S HN -0.058 nan 8.310 nan 0.000 0.560 254 D N 1.108 121.534 120.400 0.043 0.000 2.182 254 D HA -0.069 4.570 4.640 -0.001 0.000 0.201 254 D C 2.102 178.465 176.300 0.106 0.000 0.986 254 D CA 1.717 55.783 54.000 0.111 0.000 0.847 254 D CB -0.653 40.188 40.800 0.068 0.000 0.942 254 D HN 0.666 nan 8.370 nan 0.000 0.467 255 S N 0.126 115.870 115.700 0.073 0.000 2.474 255 S HA -0.073 4.396 4.470 -0.001 0.000 0.235 255 S C 1.903 176.566 174.600 0.104 0.000 0.997 255 S CA 0.305 58.549 58.200 0.073 0.000 0.949 255 S CB 0.079 63.312 63.200 0.055 0.000 0.766 255 S HN 0.164 nan 8.310 nan 0.000 0.517 256 I N 1.709 122.366 120.570 0.146 0.000 2.296 256 I HA 0.214 4.383 4.170 -0.001 0.000 0.242 256 I C 1.595 177.850 176.117 0.230 0.000 1.087 256 I CA 1.374 62.797 61.300 0.204 0.000 1.393 256 I CB -2.217 35.949 38.000 0.277 0.000 1.093 256 I HN 0.508 nan 8.210 nan 0.000 0.421 257 G N 0.104 109.077 108.800 0.289 0.000 2.712 257 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.686 257 G HA3 -0.024 3.935 3.960 -0.001 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 0.514 nan 8.290 nan 0.000 0.599 258 A N 0.334 122.970 122.820 -0.306 0.000 2.015 258 A HA 0.269 4.588 4.320 -0.001 0.000 0.219 258 A C 2.673 180.255 177.584 -0.003 0.000 1.163 258 A CA 2.712 54.555 52.037 -0.323 0.000 0.646 258 A CB -0.417 18.321 19.000 -0.436 0.000 0.806 258 A HN 1.941 nan 8.150 nan 0.000 0.448 259 S N -0.691 115.013 115.700 0.006 0.000 2.453 259 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 259 S C 1.601 176.247 174.600 0.077 0.000 1.005 259 S CA 1.308 59.529 58.200 0.035 0.000 0.949 259 S CB -0.437 62.773 63.200 0.017 0.000 0.774 259 S HN 0.757 nan 8.310 nan 0.000 0.510 260 N N -1.264 117.512 118.700 0.127 0.000 2.348 260 N HA 0.156 4.896 4.740 -0.001 0.000 0.183 260 N C 1.075 176.690 175.510 0.174 0.000 1.094 260 N CA 0.149 53.278 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 0.348 nan 8.380 nan 0.000 0.472 261 F N 2.020 122.052 119.950 0.137 0.000 2.206 261 F HA -0.022 4.504 4.527 -0.001 0.000 0.298 261 F C 2.202 178.059 175.800 0.093 0.000 1.090 261 F CA 1.183 59.280 58.000 0.161 0.000 1.323 261 F CB -0.176 39.057 39.000 0.388 0.000 1.028 261 F HN -0.140 nan 8.300 nan 0.000 0.492 262 T N -0.548 114.164 114.554 0.263 0.000 2.821 262 T HA -0.080 4.269 4.350 -0.001 0.000 0.267 262 T C 2.096 176.788 174.700 -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 67.962 68.868 0.111 0.000 0.871 262 T HN 0.424 nan 8.240 nan 0.000 0.454 263 G N 0.619 109.420 108.800 0.000 0.000 2.572 263 G HA2 0.153 4.112 3.960 -0.001 0.000 0.216 263 G HA3 0.153 4.112 3.960 -0.001 0.000 0.216 263 G C 1.665 176.511 174.900 -0.089 0.000 1.133 263 G CA 0.644 45.727 45.100 -0.029 0.000 0.791 263 G HN 0.558 nan 8.290 nan 0.000 0.538 264 A N 0.819 123.554 122.820 -0.141 0.000 2.014 264 A HA 0.136 4.455 4.320 -0.001 0.000 0.218 264 A C 2.264 179.666 177.584 -0.304 0.000 1.163 264 A CA 1.416 53.315 52.037 -0.230 0.000 0.652 264 A CB -0.152 18.683 19.000 -0.276 0.000 0.808 264 A HN 0.343 nan 8.150 nan 0.000 0.449 265 K N -0.084 120.125 120.400 -0.319 0.000 2.062 265 K HA -0.053 4.267 4.320 -0.001 0.000 0.205 265 K C 1.746 178.229 176.600 -0.195 0.000 1.051 265 K CA 1.011 57.125 56.287 -0.288 0.000 0.941 265 K CB -0.118 32.218 32.500 -0.273 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 -0.141 0.000 2.113 266 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 266 K C 1.604 178.159 176.600 -0.075 0.000 1.047 266 K CA 0.814 57.048 56.287 -0.088 0.000 0.928 266 K CB -0.675 31.794 32.500 -0.052 0.000 0.716 266 K HN 0.161 nan 8.250 nan 0.000 0.446 267 C N 1.520 120.736 119.300 -0.139 0.000 2.554 267 C HA 0.305 4.764 4.460 -0.001 0.000 0.434 267 C C 1.396 176.239 174.990 -0.245 0.000 1.316 267 C CA -0.232 58.669 59.018 -0.195 0.000 1.671 267 C CB -2.116 25.411 27.740 -0.355 0.000 2.172 267 C HN 0.346 nan 8.230 nan 0.000 0.601 268 L N -1.327 119.812 121.223 -0.139 0.000 2.598 268 L HA 0.054 4.393 4.340 -0.001 0.000 0.284 268 L C 1.952 178.756 176.870 -0.110 0.000 1.073 268 L CA 0.299 55.062 54.840 -0.129 0.000 1.361 268 L CB -0.443 41.509 42.059 -0.180 0.000 2.544 268 L HN 0.149 nan 8.230 nan 0.000 0.561 269 V N 0.888 120.724 119.914 -0.129 0.000 2.270 269 V HA -0.248 3.872 4.120 -0.001 0.000 0.245 269 V C 1.892 177.915 176.094 -0.118 0.000 1.043 269 V CA 2.558 64.773 62.300 -0.141 0.000 1.014 269 V CB -0.643 31.101 31.823 -0.133 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 -0.076 0.000 2.289 270 N HA -0.163 4.576 4.740 -0.001 0.000 0.184 270 N C 1.732 177.086 175.510 -0.260 0.000 1.016 270 N CA 0.983 53.962 53.050 -0.119 0.000 0.872 270 N CB -0.104 38.374 38.487 -0.015 0.000 0.973 270 N HN 0.319 nan 8.380 nan 0.000 0.433 271 L N 1.632 122.790 121.223 -0.109 0.000 2.005 271 L HA -0.038 4.302 4.340 -0.001 0.000 0.207 271 L C 1.910 178.725 176.870 -0.092 0.000 1.072 271 L CA 1.333 56.118 54.840 -0.091 0.000 0.744 271 L CB -0.465 41.692 42.059 0.164 0.000 0.895 271 L HN 0.100 nan 8.230 nan 0.000 0.433 272 I N -0.264 120.272 120.570 -0.056 0.000 2.248 272 I HA -0.298 3.872 4.170 -0.001 0.000 0.248 272 I C 2.464 178.542 176.117 -0.065 0.000 1.107 272 I CA 1.565 62.840 61.300 -0.041 0.000 1.373 272 I CB -0.406 37.435 38.000 -0.265 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 -0.126 0.000 2.072 273 E HA -0.243 4.106 4.350 -0.001 0.000 0.191 273 E C 2.096 178.621 176.600 -0.125 0.000 0.985 273 E CA 1.525 57.849 56.400 -0.126 0.000 0.801 273 E CB -0.124 29.488 29.700 -0.146 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 -0.196 0.000 2.366 274 K HA 0.017 4.337 4.320 -0.001 0.000 0.198 274 K C 1.560 178.137 176.600 -0.039 0.000 1.044 274 K CA 0.683 56.858 56.287 -0.187 0.000 0.973 274 K CB 0.277 32.521 32.500 -0.427 0.000 0.767 274 K HN 0.058 nan 8.250 nan 0.000 0.475 275 V N 0.321 120.214 119.914 -0.036 0.000 2.599 275 V HA -0.039 4.080 4.120 -0.001 0.000 0.245 275 V C 2.092 178.233 176.094 0.078 0.000 1.046 275 V CA 1.615 63.921 62.300 0.010 0.000 1.065 275 V CB 0.216 32.067 31.823 0.046 0.000 0.703 275 V HN 0.362 nan 8.190 nan 0.000 0.464 276 A N 0.708 123.566 122.820 0.064 0.000 2.067 276 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 276 A C 2.440 180.042 177.584 0.029 0.000 1.156 276 A CA 1.534 53.604 52.037 0.055 0.000 0.683 276 A CB -0.506 18.513 19.000 0.031 0.000 0.808 276 A HN 0.644 nan 8.150 nan 0.000 0.455 277 S N -1.457 114.253 115.700 0.016 0.000 2.423 277 S HA -0.164 4.306 4.470 -0.001 0.000 0.231 277 S C 1.635 176.193 174.600 -0.070 0.000 1.014 277 S CA 1.194 59.363 58.200 -0.053 0.000 0.965 277 S CB -0.733 62.406 63.200 -0.103 0.000 0.785 277 S HN 0.547 nan 8.310 nan 0.000 0.495 278 Y N 1.989 122.231 120.300 -0.096 0.000 2.519 278 Y HA 0.324 4.874 4.550 -0.001 0.000 0.287 278 Y C 2.255 178.124 175.900 -0.053 0.000 1.128 278 Y CA 0.214 58.267 58.100 -0.078 0.000 1.282 278 Y CB -0.198 38.219 38.460 -0.071 0.000 1.027 278 Y HN 0.485 nan 8.280 nan 0.000 0.551 279 G N -0.880 107.969 108.800 0.083 0.000 2.254 279 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.225 279 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.225 279 G C 0.148 175.076 174.900 0.046 0.000 1.003 279 G CA 0.005 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 0.312 4.431 4.120 -0.001 0.000 0.307 280 V C 0.714 176.825 176.094 0.029 0.000 1.084 280 V CA 0.951 63.270 62.300 0.032 0.000 1.184 280 V CB 1.210 33.039 31.823 0.010 0.000 0.941 280 V HN 0.371 nan 8.190 nan 0.000 0.493 281 K N 4.819 125.227 120.400 0.013 0.000 2.562 281 K HA 0.389 4.709 4.320 -0.001 0.000 0.206 281 K C -2.669 173.919 176.600 -0.019 0.000 1.033 281 K CA -1.358 54.945 56.287 0.026 0.000 1.029 281 K CB 1.047 33.566 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 -0.690 176.484 177.300 -0.210 0.000 1.238 282 P CA -0.627 62.324 63.100 -0.249 0.000 0.794 282 P CB 0.705 32.083 31.700 -0.537 0.000 0.955 283 R N 2.387 122.777 120.500 -0.184 0.000 2.612 283 R HA 0.189 4.529 4.340 -0.001 0.000 0.273 283 R C -0.237 175.979 176.300 -0.139 0.000 1.376 283 R CA -0.278 55.773 56.100 -0.082 0.000 1.171 283 R CB -0.660 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 0.395 120.673 120.300 -0.038 0.000 2.702 284 Y HA 0.089 4.638 4.550 -0.001 0.000 0.336 284 Y C 1.488 177.365 175.900 -0.037 0.000 1.235 284 Y CA 0.806 58.873 58.100 -0.054 0.000 1.492 284 Y CB 0.818 39.272 38.460 -0.010 0.000 1.308 284 Y HN 0.507 nan 8.280 nan 0.000 0.589 285 G N 3.103 111.960 108.800 0.096 0.000 2.643 285 G HA2 0.540 4.500 3.960 -0.001 0.000 0.305 285 G HA3 0.540 4.500 3.960 -0.001 0.000 0.305 285 G C -2.280 172.735 174.900 0.193 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 5.065 4.340 -0.001 0.000 0.272 286 L C -1.056 176.003 176.870 0.315 0.000 0.980 286 L CA -0.869 54.083 54.840 0.188 0.000 0.836 286 L CB 1.985 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 3.359 123.459 119.914 0.312 0.000 2.488 287 V HA 0.447 4.566 4.120 -0.001 0.000 0.293 287 V C -0.035 176.311 176.094 0.420 0.000 1.027 287 V CA -0.471 62.064 62.300 0.392 0.000 0.862 287 V CB 2.020 34.016 31.823 0.288 0.000 1.008 287 V HN 0.812 nan 8.190 nan 0.000 0.428 288 T N 2.554 117.441 114.554 0.556 0.000 2.817 288 T HA 0.709 5.058 4.350 -0.001 0.000 0.293 288 T C -0.685 174.363 174.700 0.579 0.000 0.964 288 T CA -0.380 62.047 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 0.776 nan 8.240 nan 0.000 0.502 289 Y N 1.218 121.684 120.300 0.276 0.000 2.576 289 Y HA 0.880 5.429 4.550 -0.001 0.000 0.346 289 Y C -0.015 175.839 175.900 -0.077 0.000 1.018 289 Y CA -1.149 57.005 58.100 0.091 0.000 1.050 289 Y CB 1.350 39.852 38.460 0.070 0.000 1.280 289 Y HN 0.816 nan 8.280 nan 0.000 0.474 290 A N 1.350 123.949 122.820 -0.368 0.000 1.677 290 A HA 0.273 4.592 4.320 -0.001 0.000 0.149 290 A C 1.005 178.475 177.584 -0.190 0.000 1.624 290 A CA 0.715 52.490 52.037 -0.437 0.000 1.596 290 A CB -0.186 18.480 19.000 -0.556 0.000 1.396 290 A HN 0.725 nan 8.150 nan 0.000 1.088 291 T N -1.036 113.394 114.554 -0.206 0.000 3.018 291 T HA 0.340 4.689 4.350 -0.001 0.000 0.246 291 T C -0.746 173.652 174.700 -0.502 0.000 1.026 291 T CA 0.739 62.676 62.100 -0.272 0.000 1.081 291 T CB -0.028 68.710 68.868 -0.218 0.000 0.970 291 T HN 0.311 nan 8.240 nan 0.000 0.475 292 Y N 1.329 121.599 120.300 -0.050 0.000 2.331 292 Y HA 0.432 4.982 4.550 -0.001 0.000 0.326 292 Y C -2.711 173.212 175.900 0.038 0.000 1.020 292 Y CA -2.893 55.212 58.100 0.008 0.000 1.136 292 Y CB 1.281 39.748 38.460 0.012 0.000 1.157 292 Y HN -0.032 nan 8.280 nan 0.000 0.444 293 P HA 0.082 nan 4.420 nan 0.000 0.271 293 P C -0.874 176.584 177.300 0.262 0.000 1.238 293 P CA -0.496 62.767 63.100 0.272 0.000 0.794 293 P CB 0.741 32.571 31.700 0.216 0.000 0.959 294 K N 1.596 122.168 120.400 0.286 0.000 2.656 294 K HA 0.345 4.664 4.320 -0.001 0.000 0.241 294 K C -1.007 175.621 176.600 0.046 0.000 0.967 294 K CA -0.593 55.755 56.287 0.103 0.000 0.946 294 K CB 0.170 32.681 32.500 0.018 0.000 1.164 294 K HN 0.214 nan 8.250 nan 0.000 0.459 295 I N 4.827 125.419 120.570 0.036 0.000 2.576 295 I HA -0.003 4.166 4.170 -0.001 0.000 0.288 295 I C 0.446 176.580 176.117 0.030 0.000 1.126 295 I CA 0.084 61.446 61.300 0.103 0.000 1.362 295 I CB 0.060 38.123 38.000 0.106 0.000 1.419 295 I HN 0.705 nan 8.210 nan 0.000 0.533 296 W N 4.688 126.037 121.300 0.082 0.000 2.488 296 W HA 0.154 4.813 4.660 -0.001 0.000 0.304 296 W C 0.422 176.978 176.519 0.062 0.000 1.175 296 W CA 0.508 57.877 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 1.256 121.364 119.914 0.323 0.000 2.588 297 V HA 0.297 4.416 4.120 -0.001 0.000 0.304 297 V C -0.269 175.978 176.094 0.254 0.000 1.042 297 V CA -1.523 60.946 62.300 0.280 0.000 0.877 297 V CB 1.667 33.612 31.823 0.204 0.000 0.996 297 V HN -0.162 nan 8.190 nan 0.000 0.425 298 K N 2.060 122.607 120.400 0.246 0.000 2.110 298 K HA 0.442 4.761 4.320 -0.001 0.000 0.263 298 K C 0.599 177.308 176.600 0.181 0.000 0.975 298 K CA -0.642 55.765 56.287 0.199 0.000 0.895 298 K CB 2.136 34.736 32.500 0.167 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 4.067 4.120 -0.001 0.000 0.289 299 V C 0.917 177.080 176.094 0.115 0.000 1.265 299 V CA 1.111 63.477 62.300 0.110 0.000 1.202 299 V CB -0.975 30.893 31.823 0.075 0.000 1.012 299 V HN 0.782 nan 8.190 nan 0.000 0.431 300 S N -1.806 113.967 115.700 0.121 0.000 2.589 300 S HA 0.278 4.747 4.470 -0.001 0.000 0.235 300 S C 0.574 175.224 174.600 0.084 0.000 1.051 300 S CA -0.399 57.862 58.200 0.101 0.000 0.978 300 S CB -0.074 63.187 63.200 0.101 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 -0.001 0.000 0.257 301 E C 0.831 177.454 176.600 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 1.276 124.089 122.820 -0.013 0.000 2.178 302 A HA -0.042 4.278 4.320 -0.001 0.000 0.211 302 A C 0.786 178.333 177.584 -0.062 0.000 1.157 302 A CA 0.485 52.504 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 -0.284 120.042 120.400 -0.125 0.000 2.369 303 D HA 0.016 4.656 4.640 -0.001 0.000 0.211 303 D C 1.563 177.928 176.300 0.108 0.000 1.077 303 D CA 0.915 54.783 54.000 -0.220 0.000 0.842 303 D CB 0.194 40.479 40.800 -0.857 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 -0.001 0.000 0.223 304 S C 1.511 176.267 174.600 0.260 0.000 0.963 304 S CA 0.220 58.597 58.200 0.294 0.000 0.932 304 S CB -0.155 63.175 63.200 0.217 0.000 0.775 304 S HN 0.103 nan 8.310 nan 0.000 0.531 305 S N -0.080 115.737 115.700 0.194 0.000 2.603 305 S HA 0.281 4.751 4.470 -0.001 0.000 0.232 305 S C 0.137 174.837 174.600 0.166 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 2.170 120.977 118.700 0.179 0.000 2.645 306 N HA 0.571 5.310 4.740 -0.001 0.000 0.233 306 N C 1.026 176.628 175.510 0.153 0.000 1.058 306 N CA 0.204 53.343 53.050 0.148 0.000 0.942 306 N CB 1.022 39.584 38.487 0.124 0.000 1.210 306 N HN 0.276 nan 8.380 nan 0.000 0.512 307 A N 3.143 126.004 122.820 0.069 0.000 1.917 307 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 307 A C 1.576 179.120 177.584 -0.066 0.000 1.182 307 A CA 1.652 53.649 52.037 -0.067 0.000 0.633 307 A CB -0.275 18.690 19.000 -0.059 0.000 0.819 307 A HN 0.639 nan 8.150 nan 0.000 0.448 308 D N -1.886 118.518 120.400 0.007 0.000 2.182 308 D HA -0.180 4.460 4.640 -0.001 0.000 0.201 308 D C 1.513 177.851 176.300 0.063 0.000 0.986 308 D CA 1.382 55.390 54.000 0.013 0.000 0.847 308 D CB -0.328 40.491 40.800 0.033 0.000 0.942 308 D HN 0.826 nan 8.370 nan 0.000 0.467 309 W N 1.101 122.361 121.300 -0.067 0.000 2.481 309 W HA -0.054 4.605 4.660 -0.001 0.000 0.293 309 W C 2.014 178.492 176.519 -0.069 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 -0.017 0.000 1.112 309 W HN -0.270 nan 8.180 nan 0.000 0.546 310 V N 0.845 120.662 119.914 -0.162 0.000 2.392 310 V HA -0.350 3.770 4.120 -0.001 0.000 0.249 310 V C 2.179 178.013 176.094 -0.434 0.000 1.059 310 V CA 2.509 64.558 62.300 -0.418 0.000 1.051 310 V CB -1.515 30.097 31.823 -0.351 0.000 0.658 310 V HN 0.219 nan 8.190 nan 0.000 0.455 311 T N -0.387 113.970 114.554 -0.328 0.000 2.777 311 T HA -0.224 4.125 4.350 -0.001 0.000 0.266 311 T C 1.940 176.478 174.700 -0.270 0.000 1.040 311 T CA 1.760 63.690 62.100 -0.282 0.000 1.141 311 T CB -0.200 68.544 68.868 -0.206 0.000 0.868 311 T HN 0.527 nan 8.240 nan 0.000 0.444 312 K N 0.719 120.965 120.400 -0.257 0.000 2.032 312 K HA -0.194 4.126 4.320 -0.001 0.000 0.209 312 K C 2.379 178.798 176.600 -0.303 0.000 1.048 312 K CA 1.260 57.412 56.287 -0.225 0.000 0.927 312 K CB -0.060 32.347 32.500 -0.155 0.000 0.712 312 K HN 0.203 nan 8.250 nan 0.000 0.441 313 Q N 0.780 120.294 119.800 -0.477 0.000 2.002 313 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 313 Q C 2.271 177.951 176.000 -0.533 0.000 0.988 313 Q CA 1.332 56.851 55.803 -0.475 0.000 0.843 313 Q CB -0.637 27.741 28.738 -0.601 0.000 0.908 313 Q HN 0.340 nan 8.270 nan 0.000 0.420 314 L N 1.769 122.690 121.223 -0.502 0.000 2.042 314 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 314 L C 1.878 178.522 176.870 -0.376 0.000 1.076 314 L CA 1.994 56.546 54.840 -0.479 0.000 0.749 314 L CB -0.880 40.955 42.059 -0.373 0.000 0.893 314 L HN 0.176 nan 8.230 nan 0.000 0.432 315 N N -0.170 118.357 118.700 -0.288 0.000 2.244 315 N HA -0.229 4.511 4.740 -0.001 0.000 0.183 315 N C 1.856 177.267 175.510 -0.166 0.000 1.016 315 N CA 1.448 54.380 53.050 -0.196 0.000 0.866 315 N CB -0.076 38.319 38.487 -0.154 0.000 0.980 315 N HN 0.640 nan 8.380 nan 0.000 0.430 316 E N -0.402 119.678 120.200 -0.201 0.000 2.371 316 E HA 0.046 4.395 4.350 -0.001 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 -0.128 0.000 0.860 316 E CB 0.113 29.767 29.700 -0.077 0.000 0.811 316 E HN 0.344 nan 8.360 nan 0.000 0.502 317 I N 3.296 123.648 120.570 -0.364 0.000 2.792 317 I HA -0.112 4.058 4.170 -0.001 0.000 0.284 317 I C 0.350 176.458 176.117 -0.014 0.000 1.166 317 I CA 0.051 61.109 61.300 -0.403 0.000 1.375 317 I CB -0.319 37.294 38.000 -0.644 0.000 1.421 317 I HN 0.092 nan 8.210 nan 0.000 0.544 318 N N 5.820 124.567 118.700 0.078 0.000 2.499 318 N HA -0.013 4.727 4.740 -0.001 0.000 0.281 318 N C 0.688 176.246 175.510 0.079 0.000 1.098 318 N CA -0.091 53.028 53.050 0.114 0.000 0.979 318 N CB 0.795 39.335 38.487 0.089 0.000 1.121 318 N HN 0.451 nan 8.380 nan 0.000 0.466 319 Y N 3.215 123.455 120.300 -0.100 0.000 2.030 319 Y HA -0.253 4.296 4.550 -0.001 0.000 0.272 319 Y C 1.038 176.695 175.900 -0.405 0.000 1.185 319 Y CA 1.953 59.711 58.100 -0.569 0.000 1.120 319 Y CB 0.175 38.384 38.460 -0.417 0.000 0.955 319 Y HN 0.655 nan 8.280 nan 0.000 0.495 320 E N 0.332 120.604 120.200 0.120 0.000 2.335 320 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 320 E C 0.953 177.537 176.600 -0.027 0.000 1.150 320 E CA 0.296 56.754 56.400 0.097 0.000 1.001 320 E CB -0.179 29.599 29.700 0.130 0.000 1.127 320 E HN 0.511 nan 8.360 nan 0.000 0.462 321 D N 1.623 121.942 120.400 -0.136 0.000 2.123 321 D HA -0.130 4.510 4.640 -0.001 0.000 0.196 321 D C 0.287 176.462 176.300 -0.209 0.000 0.992 321 D CA 1.096 54.989 54.000 -0.177 0.000 0.833 321 D CB 0.200 40.872 40.800 -0.214 0.000 0.954 321 D HN 0.487 nan 8.370 nan 0.000 0.455 322 H N -1.823 117.226 119.070 -0.036 0.000 2.991 322 H HA 0.354 4.910 4.556 -0.001 0.000 0.304 322 H C 0.365 175.660 175.328 -0.054 0.000 1.040 322 H CA -0.597 55.436 56.048 -0.025 0.000 1.410 322 H CB 1.447 31.211 29.762 0.004 0.000 1.529 322 H HN -0.093 nan 8.280 nan 0.000 0.509 323 K N 2.412 122.879 120.400 0.112 0.000 2.354 323 K HA 0.046 4.365 4.320 -0.001 0.000 0.194 323 K C 0.668 177.307 176.600 0.065 0.000 1.045 323 K CA -0.057 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 1.661 122.926 121.223 0.070 0.000 2.027 324 L HA -0.074 4.265 4.340 -0.001 0.000 0.206 324 L C 0.519 177.418 176.870 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 -0.402 120.029 120.400 0.052 0.000 2.403 325 K HA 0.175 4.495 4.320 -0.001 0.000 0.235 325 K C 1.053 177.636 176.600 -0.028 0.000 1.142 325 K CA 0.232 56.538 56.287 0.031 0.000 1.114 325 K CB 0.251 32.799 32.500 0.079 0.000 1.777 325 K HN 0.085 nan 8.250 nan 0.000 0.424 326 S N -0.194 115.497 115.700 -0.016 0.000 2.653 326 S HA -0.040 4.429 4.470 -0.001 0.000 0.233 326 S C 1.126 175.697 174.600 -0.048 0.000 0.970 326 S CA -0.297 57.883 58.200 -0.033 0.000 0.947 326 S CB -0.305 62.895 63.200 0.000 0.000 0.771 326 S HN 0.512 nan 8.310 nan 0.000 0.538 327 G N 0.580 109.350 108.800 -0.050 0.000 2.690 327 G HA2 0.366 4.325 3.960 -0.001 0.000 0.239 327 G HA3 0.366 4.325 3.960 -0.001 0.000 0.239 327 G C -0.316 174.549 174.900 -0.058 0.000 1.233 327 G CA -0.225 44.848 45.100 -0.045 0.000 0.847 327 G HN 0.326 nan 8.290 nan 0.000 0.588 328 T N 0.452 115.007 114.554 0.001 0.000 3.514 328 T HA 0.158 4.508 4.350 -0.001 0.000 0.259 328 T C 0.347 175.165 174.700 0.197 0.000 1.466 328 T CA -0.460 61.679 62.100 0.065 0.000 1.562 328 T CB -0.337 68.584 68.868 0.089 0.000 0.924 328 T HN 0.610 nan 8.240 nan 0.000 0.678 329 N N 1.396 120.184 118.700 0.147 0.000 2.466 329 N HA 0.047 4.786 4.740 -0.001 0.000 0.263 329 N C 1.033 176.626 175.510 0.139 0.000 1.178 329 N CA -0.084 53.028 53.050 0.103 0.000 0.983 329 N CB 0.456 38.917 38.487 -0.045 0.000 1.331 329 N HN 0.178 nan 8.380 nan 0.000 0.500 330 T N 2.133 116.722 114.554 0.059 0.000 2.896 330 T HA -0.119 4.231 4.350 -0.001 0.000 0.263 330 T C 1.795 176.323 174.700 -0.286 0.000 1.050 330 T CA 0.717 62.678 62.100 -0.232 0.000 1.140 330 T CB 0.026 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 1.130 121.403 120.400 -0.211 0.000 2.113 331 K HA -0.217 4.102 4.320 -0.001 0.000 0.208 331 K C 2.259 178.770 176.600 -0.148 0.000 1.047 331 K CA 1.453 57.634 56.287 -0.176 0.000 0.928 331 K CB -0.037 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 0.655 120.978 120.400 -0.128 0.000 2.103 332 K HA -0.002 4.317 4.320 -0.001 0.000 0.204 332 K C 1.728 178.269 176.600 -0.098 0.000 1.052 332 K CA 1.436 57.667 56.287 -0.094 0.000 0.945 332 K CB -0.419 32.033 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 4.222 4.320 -0.001 0.000 0.216 333 A C 2.214 179.702 177.584 -0.160 0.000 1.190 333 A CA 1.702 53.598 52.037 -0.234 0.000 0.617 333 A CB -0.795 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 -0.740 120.366 121.223 -0.195 0.000 2.201 334 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 334 L C 2.814 179.642 176.870 -0.070 0.000 1.105 334 L CA 1.491 56.256 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 0.331 120.083 119.800 -0.079 0.000 2.170 335 Q HA -0.212 4.127 4.340 -0.001 0.000 0.203 335 Q C 2.243 178.249 176.000 0.011 0.000 0.976 335 Q CA 1.649 57.417 55.803 -0.058 0.000 0.858 335 Q CB 0.031 28.721 28.738 -0.080 0.000 0.907 335 Q HN 0.532 nan 8.270 nan 0.000 0.433 336 A N -0.305 122.524 122.820 0.015 0.000 1.930 336 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 336 A C 2.134 179.758 177.584 0.066 0.000 1.176 336 A CA 1.040 53.110 52.037 0.054 0.000 0.632 336 A CB -0.444 18.596 19.000 0.067 0.000 0.819 336 A HN 0.278 nan 8.150 nan 0.000 0.445 337 V N -1.126 118.806 119.914 0.030 0.000 2.469 337 V HA -0.302 3.817 4.120 -0.001 0.000 0.251 337 V C 2.308 178.354 176.094 -0.080 0.000 1.064 337 V CA 2.053 64.337 62.300 -0.028 0.000 1.066 337 V CB -1.143 30.608 31.823 -0.120 0.000 0.667 337 V HN 0.718 nan 8.190 nan 0.000 0.461 338 Y N 1.438 121.650 120.300 -0.148 0.000 2.207 338 Y HA -0.271 4.279 4.550 -0.001 0.000 0.287 338 Y C 2.682 178.500 175.900 -0.136 0.000 1.156 338 Y CA 1.973 59.973 58.100 -0.166 0.000 1.182 338 Y CB -0.125 38.244 38.460 -0.152 0.000 0.979 338 Y HN 0.248 nan 8.280 nan 0.000 0.521 339 S N -0.059 115.672 115.700 0.052 0.000 2.406 339 S HA -0.167 4.302 4.470 -0.001 0.000 0.228 339 S C 1.911 176.501 174.600 -0.017 0.000 1.020 339 S CA 1.248 59.451 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 1.696 121.323 119.600 0.045 0.000 2.106 340 M HA -0.108 4.372 4.480 -0.001 0.000 0.259 340 M C 2.173 178.566 176.300 0.155 0.000 1.068 340 M CA 1.605 57.003 55.300 0.164 0.000 1.100 340 M CB -1.189 31.627 32.600 0.360 0.000 1.351 340 M HN 0.526 nan 8.290 nan 0.000 0.404 341 M N -2.858 116.747 119.600 0.008 0.000 2.465 341 M HA 0.182 4.661 4.480 -0.001 0.000 0.249 341 M C 0.861 177.040 176.300 -0.201 0.000 1.130 341 M CA 0.204 55.507 55.300 0.005 0.000 1.067 341 M CB -0.048 32.479 32.600 -0.123 0.000 1.394 341 M HN -0.038 nan 8.290 nan 0.000 0.483 342 S N 3.188 118.654 115.700 -0.390 0.000 2.519 342 S HA 0.151 4.621 4.470 -0.001 0.000 0.320 342 S C -0.136 174.267 174.600 -0.328 0.000 1.179 342 S CA -0.730 57.114 58.200 -0.593 0.000 1.173 342 S CB -0.510 62.384 63.200 -0.510 0.000 1.224 342 S HN 0.421 nan 8.310 nan 0.000 0.542 343 W N 5.575 126.787 121.300 -0.147 0.000 2.148 343 W HA 0.401 5.060 4.660 -0.001 0.000 0.347 343 W C -2.396 174.072 176.519 -0.085 0.000 1.288 343 W CA -2.674 54.606 57.345 -0.109 0.000 1.252 343 W CB -1.015 28.340 29.460 -0.175 0.000 1.156 343 W HN 0.361 nan 8.180 nan 0.000 0.580 344 P HA -0.086 nan 4.420 nan 0.000 0.258 344 P C 0.200 177.614 177.300 0.189 0.000 1.563 344 P CA 0.646 63.829 63.100 0.139 0.000 1.241 344 P CB -0.003 31.760 31.700 0.104 0.000 1.811 345 D N 1.594 122.093 120.400 0.166 0.000 3.632 345 D HA -0.180 4.460 4.640 -0.001 0.000 0.193 345 D C 0.408 176.860 176.300 0.252 0.000 1.293 345 D CA 0.776 54.867 54.000 0.152 0.000 1.100 345 D CB -1.010 39.841 40.800 0.084 0.000 0.619 345 D HN 0.262 nan 8.370 nan 0.000 0.733 346 D N 0.375 120.854 120.400 0.130 0.000 2.379 346 D HA 0.087 4.726 4.640 -0.001 0.000 0.243 346 D C 0.083 176.384 176.300 0.001 0.000 1.088 346 D CA 0.575 54.626 54.000 0.084 0.000 0.925 346 D CB -0.218 40.608 40.800 0.043 0.000 0.888 346 D HN 0.257 nan 8.370 nan 0.000 0.529 347 V N -1.679 118.217 119.914 -0.030 0.000 2.409 347 V HA 0.520 4.639 4.120 -0.001 0.000 0.290 347 V C -2.896 172.890 176.094 -0.514 0.000 1.017 347 V CA -2.415 59.773 62.300 -0.186 0.000 0.841 347 V CB 2.010 33.784 31.823 -0.082 0.000 1.003 347 V HN -0.261 nan 8.190 nan 0.000 0.426 348 P HA 0.429 nan 4.420 nan 0.000 0.276 348 P C -2.450 174.557 177.300 -0.488 0.000 1.253 348 P CA -0.911 61.446 63.100 -1.239 0.000 0.766 348 P CB 0.198 31.187 31.700 -1.184 0.000 0.845 349 P HA -0.017 nan 4.420 nan 0.000 0.272 349 P C 0.013 177.402 177.300 0.148 0.000 1.248 349 P CA -0.251 62.843 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 0.946 121.207 120.200 0.100 0.000 2.480 350 E HA 0.008 4.358 4.350 -0.001 0.000 0.258 350 E C 0.586 177.239 176.600 0.089 0.000 0.984 350 E CA 0.483 56.932 56.400 0.081 0.000 0.930 350 E CB -0.552 29.174 29.700 0.044 0.000 0.936 350 E HN 0.731 nan 8.360 nan 0.000 0.466 351 G N 6.875 115.682 108.800 0.013 0.000 2.424 351 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.290 351 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.290 351 G C 0.830 175.657 174.900 -0.123 0.000 0.912 351 G CA 0.628 45.650 45.100 -0.131 0.000 1.142 351 G HN 0.836 nan 8.290 nan 0.000 0.501 352 W N 0.940 122.201 121.300 -0.065 0.000 2.335 352 W HA -0.248 4.412 4.660 -0.001 0.000 0.311 352 W C 1.560 178.090 176.519 0.018 0.000 1.213 352 W CA 1.305 58.642 57.345 -0.013 0.000 1.274 352 W CB -1.363 28.059 29.460 -0.064 0.000 1.148 352 W HN 0.527 nan 8.180 nan 0.000 0.498 353 N N 1.669 119.843 118.700 -0.877 0.000 2.430 353 N HA -0.243 4.496 4.740 -0.001 0.000 0.186 353 N C 1.508 176.741 175.510 -0.462 0.000 1.032 353 N CA 1.759 54.322 53.050 -0.813 0.000 0.893 353 N CB -1.044 36.599 38.487 -1.407 0.000 0.957 353 N HN 0.081 nan 8.380 nan 0.000 0.442 354 R N 0.400 120.751 120.500 -0.248 0.000 2.299 354 R HA 0.177 4.517 4.340 -0.001 0.000 0.197 354 R C -0.384 176.014 176.300 0.163 0.000 0.971 354 R CA 0.209 56.312 56.100 0.004 0.000 1.030 354 R CB -0.774 29.508 30.300 -0.031 0.000 0.932 354 R HN 0.163 nan 8.270 nan 0.000 0.477 355 T N 2.332 116.957 114.554 0.119 0.000 2.869 355 T HA 0.317 4.667 4.350 -0.001 0.000 0.295 355 T C -0.143 174.635 174.700 0.131 0.000 0.987 355 T CA -0.518 61.630 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 0.010 nan 8.240 nan 0.000 0.518 356 R N 2.455 122.977 120.500 0.037 0.000 2.459 356 R HA 0.334 4.673 4.340 -0.001 0.000 0.281 356 R C -0.125 176.106 176.300 -0.114 0.000 1.050 356 R CA -0.401 55.744 56.100 0.075 0.000 1.055 356 R CB 0.484 30.793 30.300 0.015 0.000 1.045 356 R HN 0.701 nan 8.270 nan 0.000 0.495 357 H N 0.778 120.007 119.070 0.264 0.000 2.658 357 H HA 0.367 4.922 4.556 -0.001 0.000 0.337 357 H C -0.774 174.731 175.328 0.296 0.000 1.009 357 H CA -0.649 55.596 56.048 0.328 0.000 1.231 357 H CB 2.069 32.024 29.762 0.322 0.000 1.508 357 H HN 0.115 nan 8.280 nan 0.000 0.517 358 V N 6.091 126.264 119.914 0.432 0.000 2.409 358 V HA 0.270 4.390 4.120 -0.001 0.000 0.290 358 V C 0.244 176.615 176.094 0.461 0.000 1.017 358 V CA -0.519 62.011 62.300 0.383 0.000 0.841 358 V CB 1.638 33.635 31.823 0.289 0.000 1.003 358 V HN 0.596 nan 8.190 nan 0.000 0.426 359 I N 5.993 126.797 120.570 0.391 0.000 2.315 359 I HA 0.446 4.615 4.170 -0.001 0.000 0.291 359 I C -0.252 176.078 176.117 0.356 0.000 1.006 359 I CA -0.253 61.251 61.300 0.341 0.000 1.265 359 I CB 1.424 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 7.650 128.425 120.570 0.341 0.000 2.523 360 I HA 0.169 4.338 4.170 -0.001 0.000 0.281 360 I C -0.392 175.904 176.117 0.298 0.000 1.126 360 I CA -0.600 60.920 61.300 0.366 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 6.401 127.797 121.223 0.287 0.000 2.367 361 L HA 0.362 4.702 4.340 -0.001 0.000 0.275 361 L C -0.176 176.875 176.870 0.301 0.000 1.129 361 L CA 0.556 55.539 54.840 0.238 0.000 0.839 361 L CB 0.690 42.844 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 -0.001 0.000 0.305 362 M C -0.159 176.291 176.300 0.250 0.000 1.047 362 M CA -0.091 55.366 55.300 0.261 0.000 0.981 362 M CB 0.878 33.553 32.600 0.124 0.000 1.307 362 M HN 0.772 nan 8.290 nan 0.000 0.418 363 T N -0.788 113.922 114.554 0.261 0.000 2.883 363 T HA 0.356 4.705 4.350 -0.001 0.000 0.284 363 T C 0.042 174.858 174.700 0.194 0.000 1.041 363 T CA -0.490 61.757 62.100 0.245 0.000 1.007 363 T CB 1.299 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 -0.779 119.722 120.400 0.168 0.000 2.402 364 D HA 0.249 4.888 4.640 -0.001 0.000 0.216 364 D C 1.390 177.768 176.300 0.130 0.000 1.128 364 D CA 0.692 54.773 54.000 0.136 0.000 0.833 364 D CB -0.374 40.493 40.800 0.113 0.000 0.971 364 D HN 0.959 nan 8.370 nan 0.000 0.503 365 G N 1.050 109.947 108.800 0.162 0.000 2.435 365 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.245 365 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.245 365 G C 0.395 175.415 174.900 0.201 0.000 1.073 365 G CA 0.383 45.589 45.100 0.177 0.000 0.638 365 G HN 0.435 nan 8.290 nan 0.000 0.521 366 L N 3.706 125.004 121.223 0.125 0.000 2.617 366 L HA 0.283 4.623 4.340 -0.001 0.000 0.282 366 L C 0.875 177.804 176.870 0.099 0.000 1.174 366 L CA -0.268 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 -0.001 0.000 0.338 367 H C -0.377 174.966 175.328 0.025 0.000 1.057 367 H CA -0.811 55.268 56.048 0.052 0.000 1.202 367 H CB 1.048 30.852 29.762 0.070 0.000 1.466 367 H HN 0.551 nan 8.280 nan 0.000 0.499 368 N N 3.465 122.189 118.700 0.040 0.000 2.414 368 N HA 0.054 4.793 4.740 -0.001 0.000 0.189 368 N C 0.238 175.768 175.510 0.034 0.000 1.039 368 N CA -0.188 52.854 53.050 -0.014 0.000 0.889 368 N CB 0.302 38.781 38.487 -0.012 0.000 1.085 368 N HN 0.328 nan 8.380 nan 0.000 0.442 369 M N 0.842 120.469 119.600 0.046 0.000 2.242 369 M HA 0.337 4.817 4.480 -0.001 0.000 0.344 369 M C 0.605 176.936 176.300 0.053 0.000 1.140 369 M CA 0.240 55.553 55.300 0.021 0.000 1.160 369 M CB 0.985 33.565 32.600 -0.035 0.000 1.491 369 M HN 0.600 nan 8.290 nan 0.000 0.459 370 G N 1.311 110.124 108.800 0.020 0.000 2.685 370 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.387 370 G HA3 -0.014 3.945 3.960 -0.001 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 -0.955 107.854 108.800 0.016 0.000 3.182 371 G HA2 0.503 4.462 3.960 -0.001 0.000 0.167 371 G HA3 0.503 4.462 3.960 -0.001 0.000 0.167 371 G C -0.607 174.327 174.900 0.058 0.000 1.537 371 G CA 0.977 46.097 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 -0.001 0.000 0.228 372 D C -1.711 174.526 176.300 -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 42.677 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 1.495 178.722 177.300 -0.121 0.000 1.150 373 P CA 0.350 63.339 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 -0.793 119.723 120.570 -0.090 0.000 2.226 374 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 374 I C 2.302 178.379 176.117 -0.066 0.000 1.100 374 I CA 1.917 63.178 61.300 -0.064 0.000 1.374 374 I CB -1.965 36.009 38.000 -0.042 0.000 1.057 374 I HN 0.095 nan 8.210 nan 0.000 0.413 375 T N 0.770 115.283 114.554 -0.069 0.000 2.803 375 T HA -0.099 4.251 4.350 -0.001 0.000 0.269 375 T C 2.021 176.670 174.700 -0.086 0.000 1.052 375 T CA 1.290 63.347 62.100 -0.072 0.000 1.136 375 T CB -0.152 68.672 68.868 -0.074 0.000 0.864 375 T HN 0.116 nan 8.240 nan 0.000 0.467 376 V N 2.024 121.880 119.914 -0.097 0.000 2.358 376 V HA -0.102 4.017 4.120 -0.001 0.000 0.246 376 V C 2.569 178.626 176.094 -0.063 0.000 1.047 376 V CA 1.233 63.474 62.300 -0.099 0.000 1.035 376 V CB -0.533 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 0.550 121.083 120.570 -0.062 0.000 2.361 377 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 377 I C 2.064 178.157 176.117 -0.041 0.000 1.133 377 I CA 1.541 62.811 61.300 -0.050 0.000 1.413 377 I CB -1.211 36.755 38.000 -0.056 0.000 1.073 377 I HN 0.355 nan 8.210 nan 0.000 0.424 378 D N 0.570 120.942 120.400 -0.046 0.000 2.234 378 D HA -0.094 4.546 4.640 -0.001 0.000 0.205 378 D C 2.115 178.395 176.300 -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 0.297 120.474 120.200 -0.037 0.000 2.046 379 E HA -0.015 4.335 4.350 -0.001 0.000 0.190 379 E C 2.189 178.842 176.600 0.088 0.000 0.982 379 E CA 0.408 56.796 56.400 -0.019 0.000 0.800 379 E CB 0.067 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 0.993 121.617 120.570 0.090 0.000 2.454 380 I HA -0.200 3.970 4.170 -0.001 0.000 0.254 380 I C 2.471 178.588 176.117 -0.000 0.000 1.156 380 I CA 0.482 61.809 61.300 0.044 0.000 1.433 380 I CB -0.206 37.782 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 4.132 4.340 -0.001 0.000 0.237 381 R C 1.627 177.926 176.300 -0.002 0.000 1.131 381 R CA 1.710 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 -0.608 119.797 120.400 0.007 0.000 2.323 382 D HA -0.067 4.572 4.640 -0.001 0.000 0.218 382 D C 1.879 178.220 176.300 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 40.817 40.800 0.004 0.000 1.011 382 D HN 0.007 nan 8.370 nan 0.000 0.499 383 L N 0.773 122.022 121.223 0.044 0.000 2.012 383 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 383 L C 1.614 178.561 176.870 0.128 0.000 1.073 383 L CA 1.490 56.315 54.840 -0.024 0.000 0.748 383 L CB -0.775 41.132 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 -0.085 4.254 4.340 -0.001 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 -0.735 41.387 42.059 0.105 0.000 1.057 384 L HN 0.276 nan 8.230 nan 0.000 0.435 385 Y N 0.726 121.140 120.300 0.191 0.000 3.078 385 Y HA -0.259 4.290 4.550 -0.001 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 -1.410 37.185 38.460 0.225 0.000 1.343 385 Y HN 0.144 nan 8.280 nan 0.000 0.499 386 I N 0.713 121.310 120.570 0.045 0.000 2.412 386 I HA 0.460 4.630 4.170 -0.001 0.000 0.296 386 I C 1.350 177.439 176.117 -0.047 0.000 0.987 386 I CA -0.184 61.138 61.300 0.036 0.000 1.180 386 I CB 1.511 39.555 38.000 0.074 0.000 1.340 386 I HN 0.446 nan 8.210 nan 0.000 0.455 387 G N 4.676 113.457 108.800 -0.031 0.000 2.305 387 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.287 387 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.287 387 G C 0.492 175.328 174.900 -0.108 0.000 1.036 387 G CA 0.053 45.124 45.100 -0.049 0.000 0.887 387 G HN 0.602 nan 8.290 nan 0.000 0.505 388 K N -0.327 119.951 120.400 -0.202 0.000 2.501 388 K HA 0.275 4.595 4.320 -0.001 0.000 0.204 388 K C -0.066 176.399 176.600 -0.225 0.000 1.067 388 K CA -0.068 56.047 56.287 -0.288 0.000 1.060 388 K CB 1.072 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 -0.092 0.000 2.596 389 D HA 0.452 5.092 4.640 -0.001 0.000 0.234 389 D C 0.954 177.270 176.300 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 -0.079 nan 8.370 nan 0.000 0.446 390 R N 1.396 121.918 120.500 0.037 0.000 2.060 390 R HA 0.131 4.470 4.340 -0.001 0.000 0.225 390 R C 1.997 178.318 176.300 0.034 0.000 1.155 390 R CA 2.369 58.486 56.100 0.028 0.000 0.930 390 R CB -1.774 28.542 30.300 0.026 0.000 0.829 390 R HN 0.530 nan 8.270 nan 0.000 0.433 391 K N 0.913 121.339 120.400 0.042 0.000 2.404 391 K HA 0.152 4.472 4.320 -0.001 0.000 0.194 391 K C 0.646 177.279 176.600 0.055 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 4.896 4.740 -0.001 0.000 0.265 392 N C -2.416 173.160 175.510 0.110 0.000 1.580 392 N CA -1.554 51.552 53.050 0.095 0.000 0.809 392 N CB 1.501 40.052 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 -0.328 177.042 177.300 0.117 0.000 1.150 393 P CA 0.786 63.932 63.100 0.077 0.000 0.832 393 P CB 0.223 31.959 31.700 0.060 0.000 0.787 394 R N -1.123 119.484 120.500 0.178 0.000 3.531 394 R HA -0.155 4.185 4.340 -0.001 0.000 0.280 394 R C 0.176 176.651 176.300 0.292 0.000 1.130 394 R CA 0.166 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 0.299 120.607 120.200 0.179 0.000 2.502 395 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 395 E C 0.425 177.081 176.600 0.093 0.000 1.062 395 E CA 0.483 56.951 56.400 0.113 0.000 0.867 395 E CB 0.263 29.996 29.700 0.055 0.000 0.888 395 E HN 0.372 nan 8.360 nan 0.000 0.510 396 D N -0.780 119.673 120.400 0.088 0.000 2.349 396 D HA -0.021 4.618 4.640 -0.001 0.000 0.214 396 D C 0.371 176.539 176.300 -0.220 0.000 1.063 396 D CA 0.269 54.202 54.000 -0.111 0.000 0.847 396 D CB 0.037 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 0.152 120.519 120.300 0.111 0.000 2.681 397 Y HA 0.372 4.921 4.550 -0.001 0.000 0.267 397 Y C 0.009 176.031 175.900 0.203 0.000 1.166 397 Y CA -0.536 57.663 58.100 0.165 0.000 1.209 397 Y CB 0.711 39.290 38.460 0.198 0.000 1.161 397 Y HN -0.192 nan 8.280 nan 0.000 0.534 398 L N 1.213 122.577 121.223 0.235 0.000 2.620 398 L HA 0.473 4.813 4.340 -0.001 0.000 0.261 398 L C -1.961 174.966 176.870 0.095 0.000 0.978 398 L CA -0.603 54.344 54.840 0.178 0.000 0.897 398 L CB 1.196 43.327 42.059 0.120 0.000 1.207 398 L HN -0.021 nan 8.230 nan 0.000 0.425 399 D N 4.262 124.747 120.400 0.142 0.000 2.446 399 D HA 0.419 5.059 4.640 -0.001 0.000 0.251 399 D C -0.693 175.654 176.300 0.078 0.000 1.137 399 D CA -0.111 53.945 54.000 0.095 0.000 0.890 399 D CB 1.923 42.903 40.800 0.300 0.000 1.071 399 D HN 0.173 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 0.245 4.365 4.120 -0.001 0.000 0.269 400 V C -0.549 175.508 176.094 -0.061 0.000 1.043 400 V CA -0.394 61.898 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 5.223 4.550 -0.001 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 4.258 124.355 119.914 0.304 0.000 2.483 402 V HA 0.352 4.471 4.120 -0.001 0.000 0.297 402 V C -1.022 175.170 176.094 0.163 0.000 1.027 402 V CA -1.171 61.281 62.300 0.253 0.000 0.855 402 V CB 1.262 33.172 31.823 0.145 0.000 0.995 402 V HN 0.534 nan 8.190 nan 0.000 0.424 403 F N 2.375 122.450 119.950 0.207 0.000 2.361 403 F HA 0.551 5.077 4.527 -0.001 0.000 0.364 403 F C 1.227 177.109 175.800 0.136 0.000 1.120 403 F CA -0.455 57.653 58.000 0.179 0.000 1.102 403 F CB 1.624 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 4.572 113.507 108.800 0.224 0.000 2.778 404 G HA2 0.370 4.329 3.960 -0.001 0.000 0.287 404 G HA3 0.370 4.329 3.960 -0.001 0.000 0.287 404 G C 0.028 175.030 174.900 0.170 0.000 0.747 404 G CA -0.386 44.815 45.100 0.167 0.000 1.961 404 G HN 0.556 nan 8.290 nan 0.000 0.539 405 V N 1.066 121.088 119.914 0.179 0.000 3.083 405 V HA 0.933 5.053 4.120 -0.001 0.000 0.306 405 V C 0.935 177.105 176.094 0.128 0.000 1.077 405 V CA -0.135 62.255 62.300 0.149 0.000 1.073 405 V CB 0.719 32.627 31.823 0.142 0.000 1.081 405 V HN 1.822 nan 8.190 nan 0.000 0.474 406 G N 2.863 111.732 108.800 0.116 0.000 2.733 406 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.686 406 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.686 406 G C -1.721 173.227 174.900 0.081 0.000 1.373 406 G CA -0.158 45.003 45.100 0.102 0.000 0.838 406 G HN 0.870 nan 8.290 nan 0.000 0.588 407 P HA 0.017 nan 4.420 nan 0.000 0.204 407 P C 1.063 178.392 177.300 0.049 0.000 1.012 407 P CA 0.552 63.683 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 0.374 121.622 121.223 0.041 0.000 2.654 408 L HA 0.057 4.397 4.340 -0.001 0.000 0.271 408 L C 0.495 177.390 176.870 0.043 0.000 1.169 408 L CA 0.520 55.381 54.840 0.035 0.000 0.947 408 L CB -0.942 41.133 42.059 0.027 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 0.384 4.503 4.120 -0.001 0.000 0.304 409 V C 0.237 176.356 176.094 0.042 0.000 1.042 409 V CA -0.959 61.372 62.300 0.053 0.000 0.877 409 V CB 2.165 34.028 31.823 0.066 0.000 0.996 409 V HN 0.807 nan 8.190 nan 0.000 0.425 410 N N 5.614 124.341 118.700 0.044 0.000 2.498 410 N HA 0.123 4.863 4.740 -0.001 0.000 0.277 410 N C 1.100 176.633 175.510 0.038 0.000 1.208 410 N CA 0.230 53.300 53.050 0.034 0.000 1.029 410 N CB 0.765 39.270 38.487 0.029 0.000 1.403 410 N HN 0.728 nan 8.380 nan 0.000 0.500 411 Q N 1.622 121.439 119.800 0.027 0.000 2.096 411 Q HA -0.129 4.210 4.340 -0.001 0.000 0.204 411 Q C 1.519 177.529 176.000 0.016 0.000 0.982 411 Q CA 1.225 57.040 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 0.507 nan 8.270 nan 0.000 0.422 412 V N 1.842 121.763 119.914 0.013 0.000 2.380 412 V HA -0.297 3.823 4.120 -0.001 0.000 0.251 412 V C 2.143 178.248 176.094 0.019 0.000 1.063 412 V CA 2.078 64.384 62.300 0.009 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 -0.254 118.468 118.700 0.038 0.000 2.135 413 N HA -0.094 4.645 4.740 -0.001 0.000 0.186 413 N C 1.985 177.528 175.510 0.054 0.000 1.027 413 N CA 1.113 54.201 53.050 0.063 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 1.727 122.328 120.570 0.052 0.000 2.091 414 I HA -0.333 3.836 4.170 -0.001 0.000 0.239 414 I C 1.787 177.913 176.117 0.015 0.000 1.061 414 I CA 1.198 62.525 61.300 0.045 0.000 1.317 414 I CB -0.604 37.424 38.000 0.046 0.000 1.031 414 I HN 0.262 nan 8.210 nan 0.000 0.401 415 N N 1.279 119.978 118.700 -0.002 0.000 2.091 415 N HA -0.208 4.531 4.740 -0.001 0.000 0.193 415 N C 1.831 177.323 175.510 -0.030 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 -0.029 0.000 1.018 415 N HN 0.431 nan 8.380 nan 0.000 0.429 416 A N 0.971 123.781 122.820 -0.017 0.000 1.940 416 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 416 A C 2.393 179.957 177.584 -0.033 0.000 1.176 416 A CA 1.050 53.074 52.037 -0.023 0.000 0.631 416 A CB -0.682 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 -0.684 120.524 121.223 -0.024 0.000 2.044 417 L HA 0.026 4.365 4.340 -0.001 0.000 0.205 417 L C 1.832 178.674 176.870 -0.047 0.000 1.075 417 L CA 0.313 55.133 54.840 -0.032 0.000 0.747 417 L CB -0.724 41.327 42.059 -0.013 0.000 0.903 417 L HN 0.402 nan 8.230 nan 0.000 0.435 418 A N 0.044 122.838 122.820 -0.043 0.000 2.520 418 A HA 0.070 4.390 4.320 -0.001 0.000 0.235 418 A C 0.567 178.049 177.584 -0.170 0.000 1.065 418 A CA 0.182 52.171 52.037 -0.080 0.000 0.764 418 A CB 0.138 19.109 19.000 -0.050 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 0.162 4.631 4.470 -0.001 0.000 0.283 419 S C 0.352 174.695 174.600 -0.428 0.000 1.320 419 S CA -0.242 57.688 58.200 -0.449 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 4.601 124.851 120.400 -0.251 0.000 2.231 420 K HA 0.251 4.570 4.320 -0.001 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 32.363 32.500 -0.097 0.000 1.549 420 K HN 0.519 nan 8.250 nan 0.000 0.419 421 K N 2.181 122.515 120.400 -0.110 0.000 2.203 421 K HA 0.242 4.561 4.320 -0.001 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 0.054 4.693 4.640 -0.001 0.000 0.245 422 D C 0.299 176.612 176.300 0.022 0.000 1.120 422 D CA 0.393 54.400 54.000 0.011 0.000 0.890 422 D CB 0.334 41.137 40.800 0.004 0.000 1.201 422 D HN 0.580 nan 8.370 nan 0.000 0.433 423 N N 0.482 119.188 118.700 0.011 0.000 2.741 423 N HA -0.214 4.526 4.740 -0.001 0.000 0.251 423 N C -0.623 174.896 175.510 0.016 0.000 1.112 423 N CA 0.668 53.723 53.050 0.008 0.000 0.750 423 N CB -0.409 38.084 38.487 0.011 0.000 1.119 423 N HN 0.572 nan 8.380 nan 0.000 0.561 424 E N 0.114 120.331 120.200 0.029 0.000 2.359 424 E HA 0.452 4.801 4.350 -0.001 0.000 0.266 424 E C -0.688 175.894 176.600 -0.030 0.000 0.920 424 E CA -0.665 55.749 56.400 0.023 0.000 0.788 424 E CB 1.729 31.502 29.700 0.120 0.000 1.279 424 E HN 0.034 nan 8.360 nan 0.000 0.438 425 Q N 0.506 120.209 119.800 -0.162 0.000 2.333 425 Q HA 0.321 4.661 4.340 -0.001 0.000 0.267 425 Q C -1.185 174.554 176.000 -0.435 0.000 1.012 425 Q CA -0.035 55.615 55.803 -0.254 0.000 0.824 425 Q CB 1.022 29.602 28.738 -0.264 0.000 1.290 425 Q HN 0.647 nan 8.270 nan 0.000 0.449 426 H N 1.273 120.197 119.070 -0.244 0.000 3.540 426 H HA 0.362 4.918 4.556 -0.001 0.000 0.259 426 H C -0.941 174.257 175.328 -0.217 0.000 1.197 426 H CA 0.083 56.021 56.048 -0.183 0.000 1.136 426 H CB 1.352 30.899 29.762 -0.358 0.000 1.605 426 H HN 0.278 nan 8.280 nan 0.000 0.657 427 V N 2.258 121.941 119.914 -0.384 0.000 2.326 427 V HA 0.291 4.410 4.120 -0.001 0.000 0.281 427 V C -1.007 174.716 176.094 -0.618 0.000 1.015 427 V CA -0.472 61.622 62.300 -0.344 0.000 0.823 427 V CB 0.249 31.947 31.823 -0.208 0.000 1.009 427 V HN 0.127 nan 8.190 nan 0.000 0.436 428 F N 4.052 123.811 119.950 -0.318 0.000 2.508 428 F HA 0.683 5.209 4.527 -0.001 0.000 0.325 428 F C 0.559 176.255 175.800 -0.175 0.000 1.090 428 F CA -0.764 57.031 58.000 -0.342 0.000 0.945 428 F CB 1.904 40.472 39.000 -0.720 0.000 1.156 428 F HN 0.375 nan 8.300 nan 0.000 0.463 429 K N 0.429 120.894 120.400 0.108 0.000 2.312 429 K HA 0.656 4.976 4.320 -0.001 0.000 0.236 429 K C 0.372 177.055 176.600 0.138 0.000 1.079 429 K CA -0.868 55.481 56.287 0.103 0.000 0.900 429 K CB 1.025 33.555 32.500 0.050 0.000 1.297 429 K HN 0.286 nan 8.250 nan 0.000 0.498 430 V N 0.788 120.769 119.914 0.111 0.000 2.231 430 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 430 V C 2.413 178.559 176.094 0.087 0.000 1.054 430 V CA 2.366 64.727 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 0.824 nan 8.190 nan 0.000 0.444 431 K N 0.600 121.041 120.400 0.068 0.000 2.113 431 K HA -0.221 4.098 4.320 -0.001 0.000 0.208 431 K C 1.626 178.264 176.600 0.063 0.000 1.047 431 K CA 1.857 58.176 56.287 0.055 0.000 0.928 431 K CB -0.736 31.789 32.500 0.041 0.000 0.716 431 K HN 0.525 nan 8.250 nan 0.000 0.446 432 D N -0.181 120.272 120.400 0.089 0.000 2.221 432 D HA -0.190 4.450 4.640 -0.001 0.000 0.204 432 D C 1.725 178.067 176.300 0.069 0.000 0.982 432 D CA 0.905 54.968 54.000 0.105 0.000 0.857 432 D CB -0.080 40.841 40.800 0.200 0.000 0.934 432 D HN 0.205 nan 8.370 nan 0.000 0.475 433 M N 0.786 120.430 119.600 0.072 0.000 2.163 433 M HA -0.140 4.340 4.480 -0.001 0.000 0.258 433 M C 0.612 176.926 176.300 0.023 0.000 1.071 433 M CA 1.214 56.535 55.300 0.036 0.000 1.093 433 M CB -1.229 31.396 32.600 0.043 0.000 1.285 433 M HN 0.054 nan 8.290 nan 0.000 0.420 434 E N 1.986 122.207 120.200 0.034 0.000 2.608 434 E HA -0.095 4.255 4.350 -0.001 0.000 0.259 434 E C -0.096 176.529 176.600 0.041 0.000 0.951 434 E CA 0.007 56.428 56.400 0.035 0.000 0.945 434 E CB -0.146 29.573 29.700 0.033 0.000 0.916 434 E HN 0.288 nan 8.360 nan 0.000 0.477 435 N N 2.253 120.985 118.700 0.053 0.000 2.753 435 N HA -0.209 4.531 4.740 -0.001 0.000 0.252 435 N C 0.356 175.918 175.510 0.087 0.000 1.071 435 N CA 0.395 53.489 53.050 0.074 0.000 0.690 435 N CB -1.534 36.991 38.487 0.063 0.000 0.906 435 N HN 0.536 nan 8.380 nan 0.000 0.552 436 L N 0.046 121.328 121.223 0.099 0.000 2.081 436 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 436 L C 2.226 179.208 176.870 0.187 0.000 1.080 436 L CA 1.462 56.337 54.840 0.058 0.000 0.754 436 L CB -0.159 42.032 42.059 0.221 0.000 0.893 436 L HN 0.289 nan 8.230 nan 0.000 0.433 437 E N 0.261 120.694 120.200 0.389 0.000 2.114 437 E HA -0.257 4.092 4.350 -0.001 0.000 0.199 437 E C 1.738 178.615 176.600 0.461 0.000 1.008 437 E CA 1.662 58.386 56.400 0.540 0.000 0.810 437 E CB -0.352 29.600 29.700 0.420 0.000 0.739 437 E HN 0.565 nan 8.360 nan 0.000 0.456 438 D N -0.013 120.548 120.400 0.269 0.000 2.144 438 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 438 D C 2.140 178.501 176.300 0.100 0.000 0.984 438 D CA 0.644 54.741 54.000 0.162 0.000 0.834 438 D CB -0.303 40.551 40.800 0.091 0.000 0.955 438 D HN 0.044 nan 8.370 nan 0.000 0.465 439 V N 0.585 120.491 119.914 -0.013 0.000 2.270 439 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 439 V C 2.100 178.073 176.094 -0.201 0.000 1.043 439 V CA 1.328 63.497 62.300 -0.218 0.000 1.014 439 V CB -0.727 30.757 31.823 -0.565 0.000 0.645 439 V HN 0.061 nan 8.190 nan 0.000 0.447 440 F N -0.839 119.148 119.950 0.062 0.000 2.202 440 F HA -0.196 4.331 4.527 -0.001 0.000 0.301 440 F C 2.266 178.198 175.800 0.220 0.000 1.082 440 F CA 1.613 59.685 58.000 0.121 0.000 1.313 440 F CB -1.059 38.065 39.000 0.207 0.000 1.024 440 F HN 0.128 nan 8.300 nan 0.000 0.495 441 Y N 1.233 121.652 120.300 0.197 0.000 2.030 441 Y HA -0.364 4.186 4.550 -0.001 0.000 0.274 441 Y C 2.607 178.409 175.900 -0.163 0.000 1.153 441 Y CA 2.140 60.078 58.100 -0.270 0.000 1.115 441 Y CB -0.834 37.312 38.460 -0.523 0.000 0.969 441 Y HN -0.017 nan 8.280 nan 0.000 0.488 442 Q N 0.106 120.062 119.800 0.260 0.000 2.077 442 Q HA -0.222 4.117 4.340 -0.001 0.000 0.206 442 Q C 1.929 178.017 176.000 0.146 0.000 0.989 442 Q CA 2.433 58.362 55.803 0.211 0.000 0.853 442 Q CB -0.584 28.302 28.738 0.247 0.000 0.907 442 Q HN 0.760 nan 8.270 nan 0.000 0.418 443 M N -1.082 118.596 119.600 0.129 0.000 2.781 443 M HA 0.288 4.768 4.480 -0.001 0.000 0.208 443 M C -0.701 175.617 176.300 0.030 0.000 1.231 443 M CA 0.570 55.888 55.300 0.031 0.000 1.029 443 M CB 0.030 32.445 32.600 -0.309 0.000 1.753 443 M HN -0.098 nan 8.290 nan 0.000 0.448 444 I N 1.796 122.397 120.570 0.053 0.000 2.649 444 I HA 0.233 4.402 4.170 -0.001 0.000 0.289 444 I C -1.681 174.435 176.117 -0.002 0.000 1.222 444 I CA -0.767 60.549 61.300 0.026 0.000 1.046 444 I CB 2.296 40.360 38.000 0.107 0.000 1.272 444 I HN 0.271 nan 8.210 nan 0.000 0.425 445 D N 5.074 125.470 120.400 -0.006 0.000 2.549 445 D HA 0.213 4.853 4.640 -0.001 0.000 0.251 445 D C -0.555 175.768 176.300 0.038 0.000 1.153 445 D CA -0.695 53.313 54.000 0.013 0.000 0.861 445 D CB 1.311 42.121 40.800 0.017 0.000 1.207 445 D HN 0.457 nan 8.370 nan 0.000 0.543 446 E N 1.383 121.655 120.200 0.119 0.000 2.515 446 E HA 0.045 4.395 4.350 -0.001 0.000 0.315 446 E C 1.107 177.788 176.600 0.135 0.000 1.523 446 E CA -0.285 56.224 56.400 0.183 0.000 1.704 446 E CB 0.425 30.347 29.700 0.370 0.000 1.395 446 E HN 0.412 nan 8.360 nan 0.000 0.490 447 S N 1.502 117.251 115.700 0.082 0.000 2.369 447 S HA -0.279 4.190 4.470 -0.001 0.000 0.225 447 S C 1.633 176.279 174.600 0.077 0.000 1.043 447 S CA 1.667 59.907 58.200 0.067 0.000 1.074 447 S CB 0.099 63.322 63.200 0.039 0.000 0.962 447 S HN 0.303 nan 8.310 nan 0.000 0.433 448 Q N 0.049 119.894 119.800 0.075 0.000 2.247 448 Q HA 0.392 4.731 4.340 -0.001 0.000 0.204 448 Q C 0.818 176.875 176.000 0.095 0.000 0.872 448 Q CA 0.060 55.908 55.803 0.075 0.000 0.951 448 Q CB 0.651 29.421 28.738 0.054 0.000 1.099 448 Q HN 0.393 nan 8.270 nan 0.000 0.501 449 S N -0.540 115.240 115.700 0.134 0.000 2.602 449 S HA 0.234 4.703 4.470 -0.001 0.000 0.240 449 S C 0.953 175.631 174.600 0.130 0.000 0.992 449 S CA -0.171 58.120 58.200 0.153 0.000 0.971 449 S CB 0.252 63.645 63.200 0.322 0.000 0.855 449 S HN 0.321 nan 8.310 nan 0.000 0.481 450 L N 1.585 122.889 121.223 0.134 0.000 2.551 450 L HA -0.007 4.332 4.340 -0.001 0.000 0.228 450 L C 2.182 179.126 176.870 0.122 0.000 1.153 450 L CA 0.902 55.830 54.840 0.146 0.000 0.851 450 L CB -0.323 41.833 42.059 0.162 0.000 0.959 450 L HN 0.420 nan 8.230 nan 0.000 0.451 451 S N -1.635 114.112 115.700 0.079 0.000 2.502 451 S HA 0.144 4.613 4.470 -0.001 0.000 0.215 451 S C 0.612 175.132 174.600 -0.133 0.000 1.009 451 S CA -0.447 57.764 58.200 0.020 0.000 0.908 451 S CB -0.038 63.236 63.200 0.124 0.000 0.801 451 S HN 0.038 nan 8.310 nan 0.000 0.505 452 L N 3.824 124.990 121.223 -0.096 0.000 2.499 452 L HA 0.205 4.545 4.340 -0.001 0.000 0.273 452 L C 1.021 177.787 176.870 -0.174 0.000 1.195 452 L CA -0.545 54.215 54.840 -0.133 0.000 0.882 452 L CB -0.322 41.647 42.059 -0.151 0.000 1.133 452 L HN 0.589 nan 8.230 nan 0.000 0.483 453 c N 0.990 119.492 118.600 -0.162 0.000 2.403 453 c HA 0.759 5.329 4.570 -0.001 0.000 0.361 453 c C 1.513 175.555 174.090 -0.080 0.000 1.274 453 c CA -0.373 55.873 56.329 -0.139 0.000 2.433 453 c CB 0.431 42.853 42.510 -0.147 0.000 2.323 453 c HN 1.229 nan 8.230 nan 0.000 0.614 454 G N 0.795 109.588 108.800 -0.012 0.000 2.233 454 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.270 454 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.270 454 G C -0.242 174.797 174.900 0.232 0.000 1.011 454 G CA 0.921 46.069 45.100 0.080 0.000 0.762 454 G HN 1.147 nan 8.290 nan 0.000 0.511 455 M N 0.353 120.018 119.600 0.109 0.000 2.238 455 M HA 0.652 5.131 4.480 -0.001 0.000 0.350 455 M C -0.601 175.723 176.300 0.039 0.000 1.138 455 M CA -0.588 54.699 55.300 -0.021 0.000 1.040 455 M CB 1.685 34.118 32.600 -0.279 0.000 1.639 455 M HN -0.043 nan 8.290 nan 0.000 0.451 456 V N 4.607 124.536 119.914 0.024 0.000 2.760 456 V HA 0.426 4.545 4.120 -0.001 0.000 0.309 456 V C -1.488 174.593 176.094 -0.022 0.000 1.077 456 V CA -0.636 61.688 62.300 0.040 0.000 0.910 456 V CB 2.062 33.933 31.823 0.080 0.000 1.008 456 V HN 0.919 nan 8.190 nan 0.000 0.424 457 W N 2.379 123.786 121.300 0.179 0.000 2.365 457 W HA 0.510 5.170 4.660 -0.001 0.000 0.316 457 W C 1.045 177.695 176.519 0.219 0.000 1.164 457 W CA -0.290 57.225 57.345 0.283 0.000 1.204 457 W CB 1.280 31.024 29.460 0.473 0.000 1.213 457 W HN 0.526 nan 8.180 nan 0.000 0.539 458 E N 1.714 122.212 120.200 0.497 0.000 2.526 458 E HA -0.049 4.300 4.350 -0.001 0.000 0.208 458 E C 0.605 177.333 176.600 0.213 0.000 0.997 458 E CA -0.042 56.509 56.400 0.252 0.000 0.961 458 E CB -0.167 29.644 29.700 0.185 0.000 1.030 458 E HN 0.533 nan 8.360 nan 0.000 0.483 459 H N 0.548 119.798 119.070 0.300 0.000 3.038 459 H HA 0.096 4.651 4.556 -0.001 0.000 0.338 459 H C 0.990 176.359 175.328 0.068 0.000 1.041 459 H CA 0.397 56.554 56.048 0.183 0.000 1.394 459 H CB 1.101 30.961 29.762 0.164 0.000 1.357 459 H HN -0.063 nan 8.280 nan 0.000 0.600 460 R N 1.339 121.850 120.500 0.019 0.000 2.152 460 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 460 R C 1.009 177.232 176.300 -0.128 0.000 1.117 460 R CA 0.733 56.797 56.100 -0.061 0.000 0.981 460 R CB 0.163 30.461 30.300 -0.004 0.000 0.870 460 R HN 0.481 nan 8.270 nan 0.000 0.451 461 K N 0.423 120.786 120.400 -0.062 0.000 2.546 461 K HA 0.073 4.392 4.320 -0.001 0.000 0.198 461 K C 0.067 176.522 176.600 -0.243 0.000 1.028 461 K CA 0.209 56.464 56.287 -0.054 0.000 1.150 461 K CB 0.596 33.117 32.500 0.035 0.000 0.876 461 K HN 0.186 nan 8.250 nan 0.000 0.508 462 G N 1.370 109.752 108.800 -0.696 0.000 2.343 462 G HA2 0.217 4.176 3.960 -0.001 0.000 0.319 462 G HA3 0.217 4.176 3.960 -0.001 0.000 0.319 462 G C 0.250 175.002 174.900 -0.247 0.000 1.126 462 G CA -0.382 44.268 45.100 -0.749 0.000 0.889 462 G HN 0.124 nan 8.290 nan 0.000 0.457 463 T N 0.311 114.852 114.554 -0.021 0.000 2.680 463 T HA 0.068 4.418 4.350 -0.001 0.000 0.314 463 T C 0.928 175.657 174.700 0.049 0.000 1.045 463 T CA 0.015 62.169 62.100 0.089 0.000 1.025 463 T CB 0.848 69.858 68.868 0.236 0.000 1.000 463 T HN 0.338 nan 8.240 nan 0.000 0.535 464 D N -0.017 120.360 120.400 -0.038 0.000 2.158 464 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 464 D C 1.656 177.763 176.300 -0.322 0.000 0.995 464 D CA 1.669 55.528 54.000 -0.234 0.000 0.846 464 D CB -0.378 40.192 40.800 -0.383 0.000 0.941 464 D HN 0.729 nan 8.370 nan 0.000 0.456 465 Y N -0.110 120.134 120.300 -0.092 0.000 2.561 465 Y HA -0.000 4.549 4.550 -0.001 0.000 0.291 465 Y C 2.253 178.046 175.900 -0.179 0.000 1.141 465 Y CA 0.480 58.477 58.100 -0.173 0.000 1.303 465 Y CB -0.143 38.229 38.460 -0.147 0.000 1.015 465 Y HN 0.198 nan 8.280 nan 0.000 0.547 466 H N -0.036 119.054 119.070 0.033 0.000 2.524 466 H HA 0.009 4.565 4.556 -0.001 0.000 0.282 466 H C 1.267 176.596 175.328 0.001 0.000 1.016 466 H CA 1.071 57.167 56.048 0.080 0.000 1.270 466 H CB 0.469 30.300 29.762 0.114 0.000 1.394 466 H HN 0.440 nan 8.280 nan 0.000 0.568 467 K N 0.126 120.486 120.400 -0.067 0.000 2.365 467 K HA 0.057 4.376 4.320 -0.001 0.000 0.195 467 K C 0.121 176.398 176.600 -0.538 0.000 1.079 467 K CA 0.282 56.445 56.287 -0.206 0.000 0.979 467 K CB 0.746 33.131 32.500 -0.192 0.000 0.929 467 K HN 0.013 nan 8.250 nan 0.000 0.523 468 Q N -0.008 119.393 119.800 -0.665 0.000 3.122 468 Q HA 0.173 4.513 4.340 -0.001 0.000 0.282 468 Q C -2.399 173.028 176.000 -0.955 0.000 0.947 468 Q CA -1.526 53.537 55.803 -1.233 0.000 0.812 468 Q CB 1.517 29.659 28.738 -0.993 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 -0.148 0.000 1.150 469 P CA 0.992 63.934 63.100 -0.264 0.000 0.832 469 P CB -0.010 31.623 31.700 -0.111 0.000 0.787 470 W N -0.224 121.069 121.300 -0.012 0.000 2.402 470 W HA 0.035 4.695 4.660 -0.001 0.000 0.286 470 W C 0.729 177.275 176.519 0.046 0.000 1.221 470 W CA -0.047 57.301 57.345 0.006 0.000 1.257 470 W CB -2.005 27.437 29.460 -0.030 0.000 1.120 470 W HN -0.140 nan 8.180 nan 0.000 0.551 471 Q N 2.167 121.826 119.800 -0.237 0.000 2.304 471 Q HA 0.337 4.676 4.340 -0.001 0.000 0.301 471 Q C -0.543 175.544 176.000 0.144 0.000 1.063 471 Q CA 1.144 56.942 55.803 -0.007 0.000 0.947 471 Q CB 0.676 29.284 28.738 -0.218 0.000 1.201 471 Q HN 0.325 nan 8.270 nan 0.000 0.389 472 A N 4.210 127.131 122.820 0.168 0.000 2.486 472 A HA 0.566 4.886 4.320 -0.001 0.000 0.300 472 A C -1.374 176.297 177.584 0.144 0.000 1.048 472 A CA -0.805 51.325 52.037 0.156 0.000 0.696 472 A CB 1.515 20.598 19.000 0.139 0.000 1.278 472 A HN 0.624 nan 8.150 nan 0.000 0.405 473 K N 2.981 123.460 120.400 0.131 0.000 2.316 473 K HA 0.606 4.926 4.320 -0.001 0.000 0.267 473 K C -1.197 175.466 176.600 0.105 0.000 1.025 473 K CA -0.285 56.072 56.287 0.117 0.000 0.896 473 K CB 0.487 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 2.088 122.725 120.570 0.112 0.000 2.437 474 I HA 0.238 4.407 4.170 -0.001 0.000 0.298 474 I C -0.138 176.046 176.117 0.112 0.000 0.984 474 I CA -0.655 60.724 61.300 0.133 0.000 1.214 474 I CB 2.027 40.149 38.000 0.204 0.000 1.365 474 I HN 0.463 nan 8.210 nan 0.000 0.469 475 S N 4.109 119.886 115.700 0.127 0.000 2.526 475 S HA 0.595 5.064 4.470 -0.001 0.000 0.293 475 S C -0.648 174.032 174.600 0.133 0.000 1.092 475 S CA -0.631 57.639 58.200 0.116 0.000 0.980 475 S CB 2.349 65.621 63.200 0.121 0.000 1.048 475 S HN 0.300 nan 8.310 nan 0.000 0.483 476 V N 4.062 124.039 119.914 0.106 0.000 2.349 476 V HA 0.467 4.586 4.120 -0.001 0.000 0.284 476 V C -0.640 175.513 176.094 0.099 0.000 1.014 476 V CA -0.456 61.913 62.300 0.114 0.000 0.826 476 V CB 0.801 32.681 31.823 0.094 0.000 1.009 476 V HN 0.776 nan 8.190 nan 0.000 0.431 477 I N 5.059 125.685 120.570 0.094 0.000 2.412 477 I HA 0.734 4.904 4.170 -0.001 0.000 0.296 477 I C 0.026 176.181 176.117 0.063 0.000 0.987 477 I CA -0.511 60.842 61.300 0.088 0.000 1.180 477 I CB 1.629 39.681 38.000 0.087 0.000 1.340 477 I HN 0.589 nan 8.210 nan 0.000 0.455 478 R N 6.026 126.564 120.500 0.064 0.000 2.664 478 R HA 0.369 4.708 4.340 -0.001 0.000 0.260 478 R C -2.954 173.378 176.300 0.052 0.000 1.062 478 R CA -1.430 54.700 56.100 0.049 0.000 0.902 478 R CB 2.144 32.471 30.300 0.046 0.000 1.258 478 R HN 0.204 nan 8.270 nan 0.000 0.465 479 P HA -0.075 nan 4.420 nan 0.000 0.260 479 P C -0.265 177.061 177.300 0.044 0.000 1.172 479 P CA 0.988 64.115 63.100 0.044 0.000 0.760 479 P CB 0.763 32.487 31.700 0.040 0.000 0.773 480 S N 1.914 117.640 115.700 0.044 0.000 3.146 480 S HA -0.267 4.202 4.470 -0.001 0.000 0.285 480 S C 1.145 175.774 174.600 0.049 0.000 1.293 480 S CA 1.797 60.023 58.200 0.044 0.000 1.137 480 S CB -1.385 61.837 63.200 0.037 0.000 1.357 480 S HN 0.690 nan 8.310 nan 0.000 0.678 481 K N 0.196 120.629 120.400 0.055 0.000 2.374 481 K HA 0.365 4.685 4.320 -0.001 0.000 0.196 481 K C 1.873 178.519 176.600 0.076 0.000 1.023 481 K CA 0.876 57.197 56.287 0.057 0.000 1.103 481 K CB -0.478 32.054 32.500 0.054 0.000 0.848 481 K HN 0.674 nan 8.250 nan 0.000 0.528 482 G N 1.809 110.665 108.800 0.094 0.000 3.024 482 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.339 482 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.339 482 G C -0.227 174.808 174.900 0.224 0.000 1.200 482 G CA 1.031 46.219 45.100 0.147 0.000 0.968 482 G HN 0.676 nan 8.290 nan 0.000 0.593 483 H N 0.506 119.596 119.070 0.033 0.000 3.154 483 H HA 0.689 5.245 4.556 -0.001 0.000 0.330 483 H C -1.416 173.929 175.328 0.028 0.000 1.033 483 H CA -0.194 55.874 56.048 0.033 0.000 1.393 483 H CB 1.055 30.837 29.762 0.034 0.000 1.951 483 H HN 0.549 nan 8.280 nan 0.000 0.466 484 E N 2.252 122.380 120.200 -0.121 0.000 2.174 484 E HA 0.340 4.690 4.350 -0.001 0.000 0.282 484 E C -0.761 175.743 176.600 -0.160 0.000 0.992 484 E CA -0.420 55.873 56.400 -0.179 0.000 0.803 484 E CB 1.275 30.911 29.700 -0.106 0.000 1.090 484 E HN 0.547 nan 8.360 nan 0.000 0.396 485 S N 3.911 119.500 115.700 -0.185 0.000 2.433 485 S HA 0.575 5.044 4.470 -0.001 0.000 0.310 485 S C -0.953 173.607 174.600 -0.066 0.000 1.097 485 S CA -0.559 57.589 58.200 -0.087 0.000 1.103 485 S CB -0.043 63.119 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 5.264 4.570 -0.001 0.000 0.312 486 c C -0.304 173.803 174.090 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 0.655 120.287 119.600 0.055 0.000 2.755 487 M HA 0.770 5.250 4.480 -0.001 0.000 0.298 487 M C 0.050 176.424 176.300 0.125 0.000 1.251 487 M CA -0.162 55.198 55.300 0.100 0.000 0.817 487 M CB 2.346 35.013 32.600 0.110 0.000 1.760 487 M HN 0.916 nan 8.290 nan 0.000 0.473 488 G N -0.017 108.874 108.800 0.152 0.000 2.600 488 G HA2 0.797 4.757 3.960 -0.001 0.000 0.293 488 G HA3 0.797 4.757 3.960 -0.001 0.000 0.293 488 G C -2.405 172.619 174.900 0.207 0.000 1.408 488 G CA -0.599 44.603 45.100 0.170 0.000 0.782 488 G HN 0.862 nan 8.290 nan 0.000 0.482 489 A N -0.391 122.553 122.820 0.207 0.000 2.356 489 A HA 0.687 5.007 4.320 -0.001 0.000 0.310 489 A C -0.380 177.333 177.584 0.216 0.000 1.075 489 A CA -0.524 51.668 52.037 0.258 0.000 0.746 489 A CB 1.777 20.888 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 4.186 4.120 -0.001 0.000 0.276 490 V C 1.498 177.698 176.094 0.177 0.000 1.017 490 V CA 0.850 63.279 62.300 0.213 0.000 1.062 490 V CB 0.384 32.341 31.823 0.222 0.000 0.997 490 V HN 0.987 nan 8.190 nan 0.000 0.476 491 V N 1.994 122.014 119.914 0.177 0.000 3.307 491 V HA 0.332 4.451 4.120 -0.001 0.000 0.253 491 V C 0.737 176.923 176.094 0.153 0.000 1.149 491 V CA 0.980 63.358 62.300 0.130 0.000 1.112 491 V CB 0.505 32.406 31.823 0.131 0.000 0.777 491 V HN 0.705 nan 8.190 nan 0.000 0.464 492 S N -1.135 114.712 115.700 0.245 0.000 2.672 492 S HA 0.347 4.816 4.470 -0.001 0.000 0.271 492 S C 0.304 175.102 174.600 0.330 0.000 1.171 492 S CA -0.020 58.359 58.200 0.298 0.000 0.817 492 S CB 1.747 65.132 63.200 0.308 0.000 1.150 492 S HN 0.326 nan 8.310 nan 0.000 0.478 493 E N -0.174 120.198 120.200 0.287 0.000 2.209 493 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 493 E C 0.358 176.892 176.600 -0.110 0.000 0.993 493 E CA 1.517 57.923 56.400 0.010 0.000 0.819 493 E CB -0.042 29.591 29.700 -0.112 0.000 0.745 493 E HN 0.616 nan 8.360 nan 0.000 0.477 494 Y N -2.076 118.282 120.300 0.097 0.000 2.426 494 Y HA 0.206 4.756 4.550 0.000 0.000 0.249 494 Y C 0.017 175.784 175.900 -0.221 0.000 1.103 494 Y CA -0.459 57.600 58.100 -0.068 0.000 1.256 494 Y CB 0.890 39.283 38.460 -0.113 0.000 1.208 494 Y HN -0.148 nan 8.280 nan 0.000 0.519 495 F N -0.397 119.651 119.950 0.164 0.000 2.522 495 F HA 0.619 5.145 4.527 -0.002 0.000 0.324 495 F C -0.544 175.316 175.800 0.101 0.000 1.077 495 F CA -1.385 56.682 58.000 0.112 0.000 0.944 495 F CB 1.684 40.736 39.000 0.086 0.000 1.175 495 F HN -0.558 nan 8.300 nan 0.000 0.468 496 V N 3.962 124.034 119.914 0.263 0.000 2.525 496 V HA 0.331 4.451 4.120 -0.001 0.000 0.299 496 V C -1.028 175.191 176.094 0.209 0.000 1.034 496 V CA -0.742 61.679 62.300 0.201 0.000 0.863 496 V CB 1.848 33.753 31.823 0.136 0.000 0.999 496 V HN 0.507 nan 8.190 nan 0.000 0.423 497 L N 4.816 126.159 121.223 0.200 0.000 2.305 497 L HA 0.846 5.186 4.340 -0.001 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 1.403 43.564 42.059 0.170 0.000 1.157 497 L HN 0.894 nan 8.230 nan 0.000 0.436 498 T N 3.266 117.921 114.554 0.168 0.000 2.769 498 T HA 0.737 5.087 4.350 -0.001 0.000 0.306 498 T C -0.965 173.813 174.700 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 0.211 0.000 1.392 498 T HN 0.950 nan 8.240 nan 0.000 0.500 499 A N 0.859 123.736 122.820 0.094 0.000 2.483 499 A HA 0.592 4.912 4.320 -0.001 0.000 0.238 499 A C 1.414 179.009 177.584 0.018 0.000 1.070 499 A CA 0.484 52.575 52.037 0.089 0.000 0.770 499 A CB -0.273 18.798 19.000 0.119 0.000 1.008 499 A HN 1.354 nan 8.150 nan 0.000 0.497 500 A N 0.828 123.649 122.820 0.003 0.000 2.238 500 A HA 0.094 4.413 4.320 -0.001 0.000 0.210 500 A C 1.408 178.931 177.584 -0.101 0.000 1.179 500 A CA 0.904 52.830 52.037 -0.185 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 -2.801 116.293 119.070 0.041 0.000 2.539 501 H HA 0.113 4.668 4.556 -0.001 0.000 0.269 501 H C 1.093 176.453 175.328 0.053 0.000 0.980 501 H CA 0.763 56.928 56.048 0.195 0.000 1.152 501 H CB -0.625 29.340 29.762 0.338 0.000 1.407 501 H HN 0.336 nan 8.280 nan 0.000 0.564 502 c N 0.621 118.867 118.600 -0.590 0.000 2.594 502 c HA 0.250 4.819 4.570 -0.001 0.000 0.265 502 c C 0.518 174.139 174.090 -0.781 0.000 1.351 502 c CA -0.086 55.752 56.329 -0.817 0.000 1.744 502 c CB -1.126 40.691 42.510 -1.156 0.000 1.890 502 c HN 0.336 nan 8.230 nan 0.000 0.551 503 F N -0.888 119.115 119.950 0.089 0.000 2.740 503 F HA 0.647 5.174 4.527 -0.001 0.000 0.357 503 F C 0.280 176.273 175.800 0.322 0.000 1.141 503 F CA -0.646 57.481 58.000 0.212 0.000 1.044 503 F CB 0.780 39.919 39.000 0.232 0.000 1.430 503 F HN -0.278 nan 8.300 nan 0.000 0.518 504 T N -1.391 113.459 114.554 0.495 0.000 2.802 504 T HA 0.305 4.654 4.350 -0.001 0.000 0.311 504 T C 0.226 174.958 174.700 0.052 0.000 1.405 504 T CA -0.526 61.670 62.100 0.160 0.000 1.016 504 T CB 1.308 70.242 68.868 0.109 0.000 1.352 504 T HN 0.314 nan 8.240 nan 0.000 0.498 505 V N 2.150 121.990 119.914 -0.123 0.000 2.453 505 V HA -0.114 4.005 4.120 -0.001 0.000 0.252 505 V C 2.035 178.132 176.094 0.005 0.000 1.068 505 V CA 2.330 64.579 62.300 -0.085 0.000 1.070 505 V CB -0.529 31.231 31.823 -0.105 0.000 0.664 505 V HN 0.786 nan 8.190 nan 0.000 0.461 506 D N -0.491 119.922 120.400 0.021 0.000 2.144 506 D HA -0.056 4.583 4.640 -0.001 0.000 0.200 506 D C 0.701 177.027 176.300 0.043 0.000 0.978 506 D CA 0.705 54.723 54.000 0.031 0.000 0.833 506 D CB -0.389 40.430 40.800 0.031 0.000 0.961 506 D HN 0.420 nan 8.370 nan 0.000 0.470 507 D N 1.968 122.416 120.400 0.079 0.000 2.450 507 D HA 0.026 4.666 4.640 -0.001 0.000 0.247 507 D C 0.837 177.161 176.300 0.041 0.000 1.162 507 D CA 0.409 54.458 54.000 0.081 0.000 0.879 507 D CB 0.834 41.739 40.800 0.176 0.000 1.163 507 D HN -0.105 nan 8.370 nan 0.000 0.472 508 K N 2.075 122.449 120.400 -0.044 0.000 2.179 508 K HA 0.174 4.493 4.320 -0.001 0.000 0.238 508 K C 0.894 177.440 176.600 -0.091 0.000 1.033 508 K CA -0.481 55.754 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 0.179 nan 8.250 nan 0.000 0.492 509 E N 0.487 120.657 120.200 -0.050 0.000 2.478 509 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 509 E C 1.128 177.743 176.600 0.025 0.000 1.045 509 E CA 0.634 57.027 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 -2.100 116.985 119.070 0.025 0.000 2.594 510 H HA 0.282 4.837 4.556 -0.001 0.000 0.279 510 H C 0.779 176.131 175.328 0.039 0.000 1.042 510 H CA 0.740 56.803 56.048 0.026 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 0.594 116.160 115.700 -0.223 0.000 2.540 511 S HA 0.284 4.754 4.470 -0.001 0.000 0.218 511 S C 0.494 175.107 174.600 0.022 0.000 0.977 511 S CA -0.519 57.619 58.200 -0.103 0.000 0.918 511 S CB -0.135 62.972 63.200 -0.156 0.000 0.806 511 S HN 0.268 nan 8.310 nan 0.000 0.496 512 I N 2.309 122.900 120.570 0.035 0.000 2.410 512 I HA 0.486 4.656 4.170 -0.001 0.000 0.286 512 I C -0.907 175.251 176.117 0.068 0.000 1.009 512 I CA -0.706 60.645 61.300 0.085 0.000 1.111 512 I CB 1.661 39.702 38.000 0.069 0.000 1.262 512 I HN -0.107 nan 8.210 nan 0.000 0.443 513 K N 6.067 126.519 120.400 0.086 0.000 2.376 513 K HA 0.577 4.896 4.320 -0.001 0.000 0.257 513 K C -0.860 175.783 176.600 0.071 0.000 0.939 513 K CA -0.782 55.545 56.287 0.066 0.000 0.809 513 K CB 2.825 35.362 32.500 0.062 0.000 1.121 513 K HN 0.244 nan 8.250 nan 0.000 0.425 514 V N 1.508 121.452 119.914 0.049 0.000 2.394 514 V HA 0.278 4.398 4.120 -0.001 0.000 0.282 514 V C 0.214 176.327 176.094 0.031 0.000 1.031 514 V CA -0.632 61.700 62.300 0.053 0.000 0.881 514 V CB 1.604 33.453 31.823 0.042 0.000 0.982 514 V HN 0.737 nan 8.190 nan 0.000 0.451 515 S N 3.983 119.705 115.700 0.037 0.000 2.448 515 S HA 0.433 4.903 4.470 -0.001 0.000 0.320 515 S C 0.649 175.243 174.600 -0.011 0.000 1.071 515 S CA -0.613 57.589 58.200 0.003 0.000 1.113 515 S CB 1.309 64.516 63.200 0.011 0.000 0.972 515 S HN 0.421 nan 8.310 nan 0.000 0.465 516 V N 4.674 124.553 119.914 -0.058 0.000 2.251 516 V HA 0.273 4.392 4.120 -0.001 0.000 0.233 516 V C 1.438 177.413 176.094 -0.199 0.000 1.041 516 V CA 1.359 63.620 62.300 -0.065 0.000 1.000 516 V CB -0.783 31.002 31.823 -0.064 0.000 0.643 516 V HN 0.892 nan 8.190 nan 0.000 0.460 517 G N -1.916 106.625 108.800 -0.433 0.000 2.744 517 G HA2 0.524 4.483 3.960 -0.001 0.000 0.286 517 G HA3 0.524 4.483 3.960 -0.001 0.000 0.286 517 G C 0.490 174.751 174.900 -1.064 0.000 1.497 517 G CA 0.401 44.829 45.100 -1.119 0.000 1.070 517 G HN 0.953 nan 8.290 nan 0.000 0.539 518 G N 2.604 110.492 108.800 -1.520 0.000 5.266 518 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.262 518 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.262 518 G C 0.516 175.270 174.900 -0.244 0.000 1.359 518 G CA 0.795 45.594 45.100 -0.502 0.000 0.955 518 G HN 0.961 nan 8.290 nan 0.000 0.754 519 E N 2.125 122.198 120.200 -0.212 0.000 2.694 519 E HA 0.306 4.656 4.350 -0.001 0.000 0.250 519 E C 0.702 177.245 176.600 -0.096 0.000 0.963 519 E CA 0.525 56.854 56.400 -0.118 0.000 0.949 519 E CB 0.408 30.046 29.700 -0.103 0.000 0.911 519 E HN 0.521 nan 8.360 nan 0.000 0.500 520 K N 3.484 123.852 120.400 -0.052 0.000 3.322 520 K HA -0.003 4.317 4.320 -0.001 0.000 0.291 520 K C 0.195 176.781 176.600 -0.024 0.000 1.131 520 K CA 0.013 56.283 56.287 -0.028 0.000 1.185 520 K CB -0.076 32.419 32.500 -0.009 0.000 1.338 520 K HN 0.251 nan 8.250 nan 0.000 0.380 521 R N 1.852 122.330 120.500 -0.037 0.000 2.332 521 R HA 0.075 4.415 4.340 -0.001 0.000 0.306 521 R C -1.091 175.194 176.300 -0.024 0.000 1.117 521 R CA -0.603 55.480 56.100 -0.028 0.000 1.108 521 R CB 0.267 30.545 30.300 -0.036 0.000 1.126 521 R HN 0.052 nan 8.270 nan 0.000 0.548 522 D N 3.409 123.805 120.400 -0.007 0.000 2.423 522 D HA 0.059 4.698 4.640 -0.001 0.000 0.238 522 D C -0.086 176.214 176.300 -0.001 0.000 1.142 522 D CA 0.465 54.468 54.000 0.004 0.000 0.884 522 D CB 0.900 41.713 40.800 0.021 0.000 1.199 522 D HN 0.421 nan 8.370 nan 0.000 0.438 523 L N 1.877 123.100 121.223 -0.000 0.000 2.313 523 L HA 0.288 4.627 4.340 -0.001 0.000 0.283 523 L C 0.624 177.496 176.870 0.003 0.000 1.013 523 L CA -0.784 54.052 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 3.869 124.072 120.200 0.006 0.000 2.344 524 E HA 0.219 4.568 4.350 -0.001 0.000 0.270 524 E C -0.272 176.327 176.600 -0.001 0.000 1.021 524 E CA -0.213 56.197 56.400 0.015 0.000 0.887 524 E CB 1.387 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 -0.755 119.810 120.570 -0.008 0.000 2.797 525 I HA 0.217 4.386 4.170 -0.001 0.000 0.310 525 I C 0.934 177.029 176.117 -0.037 0.000 0.990 525 I CA -0.448 60.828 61.300 -0.041 0.000 1.228 525 I CB 1.327 39.282 38.000 -0.076 0.000 1.406 525 I HN 0.609 nan 8.210 nan 0.000 0.534 526 E N 2.243 122.404 120.200 -0.066 0.000 2.132 526 E HA 0.213 4.562 4.350 -0.001 0.000 0.193 526 E C -0.286 176.280 176.600 -0.056 0.000 0.951 526 E CA 0.309 56.675 56.400 -0.058 0.000 0.843 526 E CB 1.124 30.772 29.700 -0.087 0.000 0.807 526 E HN 0.537 nan 8.360 nan 0.000 0.467 527 V N 0.627 120.491 119.914 -0.083 0.000 3.108 527 V HA 0.257 4.377 4.120 -0.001 0.000 0.287 527 V C -1.751 174.292 176.094 -0.086 0.000 1.436 527 V CA -0.862 61.405 62.300 -0.054 0.000 1.001 527 V CB 2.164 33.979 31.823 -0.014 0.000 1.141 527 V HN -0.044 nan 8.190 nan 0.000 0.443 528 V N 6.949 126.810 119.914 -0.087 0.000 2.350 528 V HA 0.444 4.564 4.120 -0.001 0.000 0.276 528 V C 0.117 176.180 176.094 -0.052 0.000 1.028 528 V CA -0.387 61.787 62.300 -0.209 0.000 0.860 528 V CB 1.263 32.811 31.823 -0.458 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 4.757 4.340 -0.001 0.000 0.280 529 L C -0.229 176.810 176.870 0.281 0.000 1.111 529 L CA -0.065 54.919 54.840 0.240 0.000 0.909 529 L CB -0.284 41.969 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 0.082 4.608 4.527 -0.001 0.000 0.351 530 F C 1.122 176.950 175.800 0.046 0.000 1.136 530 F CA -0.128 57.913 58.000 0.068 0.000 1.298 530 F CB 0.195 39.217 39.000 0.036 0.000 1.145 530 F HN 0.373 nan 8.300 nan 0.000 0.593 531 H N 4.486 123.454 119.070 -0.169 0.000 2.886 531 H HA 0.110 4.667 4.556 0.000 0.000 0.329 531 H C -1.723 173.555 175.328 -0.083 0.000 1.044 531 H CA -1.236 54.505 56.048 -0.512 0.000 1.456 531 H CB 0.938 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 0.086 177.361 177.300 -0.042 0.000 1.148 532 P CA 1.659 64.690 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 -2.982 115.713 118.700 -0.007 0.000 2.336 533 N HA -0.021 4.718 4.740 -0.001 0.000 0.189 533 N C 0.151 175.755 175.510 0.156 0.000 1.113 533 N CA -0.370 52.648 53.050 -0.054 0.000 0.858 533 N CB -0.198 37.875 38.487 -0.690 0.000 0.970 533 N HN 0.162 nan 8.380 nan 0.000 0.471 534 Y N 2.044 122.437 120.300 0.155 0.000 2.425 534 Y HA 0.190 4.739 4.550 -0.002 0.000 0.331 534 Y C -0.376 175.607 175.900 0.138 0.000 1.157 534 Y CA -0.008 58.196 58.100 0.174 0.000 1.372 534 Y CB 0.393 38.974 38.460 0.202 0.000 1.253 534 Y HN -0.056 nan 8.280 nan 0.000 0.536 535 N N 6.389 124.715 118.700 -0.624 0.000 3.063 535 N HA 0.054 4.793 4.740 -0.001 0.000 0.242 535 N C -0.697 174.561 175.510 -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 1.957 122.229 120.570 -0.498 0.000 3.419 536 I HA 0.168 4.337 4.170 -0.001 0.000 0.286 536 I C 0.030 176.037 176.117 -0.183 0.000 1.268 536 I CA 0.449 61.541 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 -0.001 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 -0.001 0.000 0.220 538 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.220 538 G C 0.799 175.507 174.900 -0.320 0.000 1.121 538 G CA 0.853 45.819 45.100 -0.223 0.000 0.766 538 G HN 0.057 nan 8.290 nan 0.000 0.553 539 K N -0.020 120.181 120.400 -0.332 0.000 2.724 539 K HA 0.328 4.648 4.320 -0.001 0.000 0.198 539 K C 0.839 177.312 176.600 -0.212 0.000 1.099 539 K CA -0.322 55.776 56.287 -0.314 0.000 1.025 539 K CB 1.279 33.542 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 -0.001 0.000 0.193 540 K C 0.370 176.899 176.600 -0.118 0.000 1.030 540 K CA 1.339 57.548 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 -0.773 119.349 120.200 -0.131 0.000 2.256 541 E HA 0.266 4.615 4.350 -0.001 0.000 0.198 541 E C 1.703 178.233 176.600 -0.117 0.000 0.908 541 E CA 0.828 57.161 56.400 -0.111 0.000 0.915 541 E CB -0.206 29.432 29.700 -0.103 0.000 0.890 541 E HN 0.250 nan 8.360 nan 0.000 0.484 542 A N 0.336 123.070 122.820 -0.144 0.000 1.969 542 A HA 0.276 4.596 4.320 -0.001 0.000 0.218 542 A C 1.751 179.250 177.584 -0.141 0.000 1.169 542 A CA 1.454 53.406 52.037 -0.141 0.000 0.635 542 A CB -0.463 18.436 19.000 -0.167 0.000 0.810 542 A HN 0.367 nan 8.150 nan 0.000 0.445 543 G N -1.601 107.103 108.800 -0.160 0.000 2.147 543 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.128 543 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.128 543 G C -0.069 174.695 174.900 -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 0.998 121.411 120.570 -0.261 0.000 2.442 544 I HA 0.247 4.417 4.170 -0.001 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 1.608 39.403 38.000 -0.342 0.000 1.394 544 I HN -0.165 nan 8.210 nan 0.000 0.488 545 P HA -0.144 nan 4.420 nan 0.000 0.217 545 P C -0.287 176.921 177.300 -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 -1.458 118.635 120.200 -0.178 0.000 2.241 546 E HA 0.369 4.719 4.350 -0.001 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 2.650 122.337 119.950 -0.438 0.000 2.347 547 F HA 0.303 4.829 4.527 -0.002 0.000 0.366 547 F C -0.608 174.979 175.800 -0.353 0.000 1.107 547 F CA -0.899 56.910 58.000 -0.318 0.000 1.058 547 F CB 0.409 39.265 39.000 -0.240 0.000 1.236 547 F HN 0.482 nan 8.300 nan 0.000 0.456 548 Y N 1.661 121.685 120.300 -0.459 0.000 2.493 548 Y HA 0.108 4.658 4.550 -0.000 0.000 0.275 548 Y C 0.778 176.678 175.900 -0.001 0.000 1.183 548 Y CA -0.382 57.609 58.100 -0.182 0.000 1.258 548 Y CB -0.325 38.028 38.460 -0.177 0.000 1.108 548 Y HN 0.422 nan 8.280 nan 0.000 0.521 549 D N -0.191 119.950 120.400 -0.430 0.000 2.455 549 D HA -0.105 4.534 4.640 -0.001 0.000 0.241 549 D C -0.311 175.998 176.300 0.015 0.000 1.138 549 D CA 0.487 54.348 54.000 -0.232 0.000 0.877 549 D CB 0.192 40.620 40.800 -0.619 0.000 1.187 549 D HN 0.263 nan 8.370 nan 0.000 0.451 550 Y N 0.855 121.069 120.300 -0.143 0.000 3.078 550 Y HA -0.245 4.306 4.550 0.001 0.000 0.202 550 Y C 0.324 176.191 175.900 -0.055 0.000 1.322 550 Y CA 0.502 58.446 58.100 -0.261 0.000 1.118 550 Y CB -1.189 37.101 38.460 -0.283 0.000 1.343 550 Y HN 0.396 nan 8.280 nan 0.000 0.499 551 D N 1.637 122.084 120.400 0.078 0.000 2.896 551 D HA 0.382 5.021 4.640 -0.001 0.000 0.240 551 D C -0.456 175.874 176.300 0.050 0.000 1.193 551 D CA 0.139 54.287 54.000 0.247 0.000 0.983 551 D CB -0.307 40.718 40.800 0.374 0.000 1.074 551 D HN 0.186 nan 8.370 nan 0.000 0.496 552 V N -1.164 118.694 119.914 -0.093 0.000 2.841 552 V HA 0.994 5.114 4.120 -0.001 0.000 0.310 552 V C -0.708 175.231 176.094 -0.258 0.000 1.090 552 V CA -1.222 60.991 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 4.366 127.131 122.820 -0.091 0.000 2.465 553 A HA 0.787 5.106 4.320 -0.001 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 1.349 20.121 19.000 -0.381 0.000 1.266 553 A HN 1.017 nan 8.150 nan 0.000 0.403 554 L N 2.221 123.730 121.223 0.476 0.000 2.375 554 L HA 0.545 4.885 4.340 -0.001 0.000 0.271 554 L C -0.423 176.574 176.870 0.211 0.000 1.107 554 L CA -0.363 54.704 54.840 0.378 0.000 0.806 554 L CB 1.263 43.546 42.059 0.374 0.000 1.146 554 L HN 0.601 nan 8.230 nan 0.000 0.447 555 I N 2.950 123.626 120.570 0.176 0.000 2.448 555 I HA 0.221 4.391 4.170 -0.001 0.000 0.281 555 I C -0.200 175.818 176.117 -0.166 0.000 1.027 555 I CA -0.550 60.726 61.300 -0.041 0.000 1.111 555 I CB 1.513 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 7.596 127.756 120.400 -0.400 0.000 2.310 556 K HA 0.409 4.728 4.320 -0.001 0.000 0.290 556 K C -0.376 176.038 176.600 -0.311 0.000 1.077 556 K CA -0.464 55.356 56.287 -0.778 0.000 0.922 556 K CB 0.564 32.488 32.500 -0.960 0.000 1.057 556 K HN 0.563 nan 8.250 nan 0.000 0.479 557 L N 4.135 125.254 121.223 -0.173 0.000 2.483 557 L HA 0.018 4.358 4.340 -0.001 0.000 0.275 557 L C 1.610 178.508 176.870 0.047 0.000 1.220 557 L CA 0.139 54.949 54.840 -0.051 0.000 0.833 557 L CB 0.409 42.431 42.059 -0.060 0.000 1.102 557 L HN 0.715 nan 8.230 nan 0.000 0.490 558 K N 0.837 121.251 120.400 0.023 0.000 2.296 558 K HA 0.009 4.328 4.320 -0.001 0.000 0.200 558 K C -0.013 176.656 176.600 0.115 0.000 1.048 558 K CA 0.601 56.919 56.287 0.052 0.000 0.966 558 K CB 0.242 32.752 32.500 0.016 0.000 0.754 558 K HN 0.544 nan 8.250 nan 0.000 0.466 559 N N 0.699 119.429 118.700 0.050 0.000 2.272 559 N HA 0.123 4.863 4.740 -0.001 0.000 0.305 559 N C -1.484 173.838 175.510 -0.314 0.000 1.103 559 N CA -0.562 52.470 53.050 -0.029 0.000 0.791 559 N CB 1.819 40.272 38.487 -0.058 0.000 1.356 559 N HN -0.065 nan 8.380 nan 0.000 0.486 560 K N 1.343 121.448 120.400 -0.492 0.000 2.298 560 K HA 0.310 4.629 4.320 -0.001 0.000 0.280 560 K C -0.510 175.797 176.600 -0.488 0.000 1.032 560 K CA -0.265 55.479 56.287 -0.905 0.000 0.958 560 K CB 0.534 32.651 32.500 -0.638 0.000 0.978 560 K HN 0.436 nan 8.250 nan 0.000 0.472 561 L N 3.833 124.765 121.223 -0.485 0.000 2.334 561 L HA 0.285 4.625 4.340 -0.001 0.000 0.277 561 L C -0.260 176.367 176.870 -0.405 0.000 1.075 561 L CA -0.729 53.913 54.840 -0.330 0.000 0.804 561 L CB 1.206 43.130 42.059 -0.224 0.000 1.174 561 L HN 0.478 nan 8.230 nan 0.000 0.438 562 K N 2.821 123.052 120.400 -0.283 0.000 2.293 562 K HA 0.343 4.662 4.320 -0.001 0.000 0.267 562 K C -1.050 175.461 176.600 -0.150 0.000 1.010 562 K CA -0.303 55.822 56.287 -0.269 0.000 0.875 562 K CB 0.615 33.029 32.500 -0.143 0.000 1.106 562 K HN 0.184 nan 8.250 nan 0.000 0.450 563 Y N 0.894 121.187 120.300 -0.012 0.000 2.620 563 Y HA 0.244 4.793 4.550 -0.001 0.000 0.330 563 Y C 1.463 177.370 175.900 0.012 0.000 1.186 563 Y CA -0.006 58.097 58.100 0.005 0.000 1.467 563 Y CB 0.672 39.146 38.460 0.023 0.000 1.262 563 Y HN 0.651 nan 8.280 nan 0.000 0.550 564 G N 1.615 110.522 108.800 0.178 0.000 2.949 564 G HA2 0.271 4.231 3.960 -0.001 0.000 0.285 564 G HA3 0.271 4.231 3.960 -0.001 0.000 0.285 564 G C -0.391 174.557 174.900 0.081 0.000 1.395 564 G CA -0.750 44.411 45.100 0.101 0.000 0.901 564 G HN 0.474 nan 8.290 nan 0.000 0.519 565 Q N -0.751 119.082 119.800 0.055 0.000 2.291 565 Q HA -0.027 4.312 4.340 -0.001 0.000 0.206 565 Q C 2.423 178.327 176.000 -0.159 0.000 0.976 565 Q CA 2.150 57.979 55.803 0.044 0.000 0.875 565 Q CB 0.002 28.801 28.738 0.101 0.000 0.927 565 Q HN 0.656 nan 8.270 nan 0.000 0.450 566 T N -3.841 110.591 114.554 -0.203 0.000 3.054 566 T HA 0.335 4.684 4.350 -0.001 0.000 0.255 566 T C 0.463 175.123 174.700 -0.067 0.000 1.035 566 T CA -0.183 61.798 62.100 -0.197 0.000 0.941 566 T CB 0.340 69.079 68.868 -0.214 0.000 1.026 566 T HN 0.046 nan 8.240 nan 0.000 0.533 567 I N 2.133 122.698 120.570 -0.009 0.000 2.623 567 I HA 0.472 4.641 4.170 -0.001 0.000 0.275 567 I C -0.674 175.527 176.117 0.141 0.000 1.108 567 I CA -0.818 60.518 61.300 0.060 0.000 1.120 567 I CB 1.013 39.050 38.000 0.062 0.000 1.249 567 I HN -0.008 nan 8.210 nan 0.000 0.500 568 R N 4.699 125.247 120.500 0.080 0.000 2.807 568 R HA 0.632 4.971 4.340 -0.001 0.000 0.276 568 R C -2.876 173.430 176.300 0.010 0.000 0.979 568 R CA -1.934 54.148 56.100 -0.029 0.000 0.928 568 R CB 1.900 32.188 30.300 -0.019 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 -0.370 62.697 63.100 -0.054 0.000 0.793 569 P CB 0.752 32.330 31.700 -0.202 0.000 0.977 570 I N 0.872 121.440 120.570 -0.003 0.000 2.676 570 I HA 0.279 4.449 4.170 -0.001 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 1.044 38.756 38.000 -0.481 0.000 1.343 570 I HN 0.296 nan 8.210 nan 0.000 0.482 571 c N 6.490 124.958 118.600 -0.220 0.000 2.514 571 c HA 0.407 4.976 4.570 -0.001 0.000 0.392 571 c C 0.190 174.167 174.090 -0.189 0.000 1.294 571 c CA -0.583 55.634 56.329 -0.187 0.000 1.957 571 c CB -0.467 41.942 42.510 -0.167 0.000 2.541 571 c HN 0.460 nan 8.230 nan 0.000 0.569 572 L N 4.965 126.070 121.223 -0.198 0.000 2.334 572 L HA 0.421 4.760 4.340 -0.001 0.000 0.275 572 L C -2.153 174.578 176.870 -0.232 0.000 1.036 572 L CA -1.739 52.988 54.840 -0.188 0.000 0.807 572 L CB 1.197 43.177 42.059 -0.132 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 -0.191 0.000 1.208 573 P CA -0.247 62.634 63.100 -0.364 0.000 0.777 573 P CB 0.318 31.367 31.700 -1.084 0.000 0.875 574 c N 0.539 119.110 118.600 -0.048 0.000 4.209 574 c HA -0.076 4.493 4.570 -0.001 0.000 0.305 574 c C 0.726 174.788 174.090 -0.046 0.000 1.339 574 c CA 1.128 57.491 56.329 0.056 0.000 2.062 574 c CB -3.177 39.433 42.510 0.167 0.000 1.307 574 c HN 0.859 nan 8.230 nan 0.000 0.706 575 T N -4.162 110.287 114.554 -0.175 0.000 2.883 575 T HA 0.548 4.898 4.350 -0.001 0.000 0.296 575 T C 0.711 175.307 174.700 -0.174 0.000 1.117 575 T CA -0.431 61.483 62.100 -0.310 0.000 1.006 575 T CB 1.497 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 0.652 120.757 120.200 -0.158 0.000 2.153 576 E HA -0.042 4.308 4.350 -0.001 0.000 0.194 576 E C 2.186 178.723 176.600 -0.104 0.000 0.988 576 E CA 1.172 57.513 56.400 -0.098 0.000 0.811 576 E CB -0.535 29.121 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 -0.142 0.000 2.433 577 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 577 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 577 G C 1.648 176.475 174.900 -0.121 0.000 1.186 577 G CA 1.348 46.369 45.100 -0.131 0.000 0.779 577 G HN 0.191 nan 8.290 nan 0.000 0.543 578 T N 0.972 115.446 114.554 -0.133 0.000 2.833 578 T HA -0.100 4.250 4.350 -0.001 0.000 0.269 578 T C 2.609 177.262 174.700 -0.077 0.000 1.054 578 T CA 1.702 63.738 62.100 -0.106 0.000 1.135 578 T CB -0.443 68.366 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 -0.068 0.000 2.622 579 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 579 T C 2.116 176.786 174.700 -0.051 0.000 1.047 579 T CA 1.119 63.191 62.100 -0.047 0.000 1.159 579 T CB -0.189 68.656 68.868 -0.038 0.000 0.863 579 T HN 0.296 nan 8.240 nan 0.000 0.422 580 R N 0.449 120.915 120.500 -0.056 0.000 2.189 580 R HA 0.159 4.498 4.340 -0.001 0.000 0.218 580 R C 2.642 178.902 176.300 -0.066 0.000 1.074 580 R CA 0.786 56.855 56.100 -0.052 0.000 0.991 580 R CB -0.279 29.993 30.300 -0.046 0.000 0.883 580 R HN 0.366 nan 8.270 nan 0.000 0.457 581 A N 0.722 123.492 122.820 -0.083 0.000 1.898 581 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 581 A C 1.861 179.382 177.584 -0.105 0.000 1.181 581 A CA 1.026 53.002 52.037 -0.103 0.000 0.620 581 A CB -0.287 18.645 19.000 -0.115 0.000 0.819 581 A HN 0.219 nan 8.150 nan 0.000 0.442 582 L N -1.408 119.761 121.223 -0.090 0.000 2.599 582 L HA 0.094 4.434 4.340 -0.001 0.000 0.230 582 L C 0.128 176.955 176.870 -0.072 0.000 1.141 582 L CA -0.044 54.743 54.840 -0.088 0.000 0.877 582 L CB -0.248 41.769 42.059 -0.071 0.000 1.009 582 L HN 0.387 nan 8.230 nan 0.000 0.447 583 R N 0.435 120.898 120.500 -0.062 0.000 3.209 583 R HA -0.139 4.200 4.340 -0.001 0.000 0.252 583 R C -0.925 175.353 176.300 -0.036 0.000 0.958 583 R CA 0.304 56.376 56.100 -0.046 0.000 0.651 583 R CB -2.210 28.061 30.300 -0.048 0.000 1.142 583 R HN 0.287 nan 8.270 nan 0.000 0.441 584 L N 0.811 122.015 121.223 -0.033 0.000 2.341 584 L HA 0.638 4.977 4.340 -0.001 0.000 0.267 584 L C -1.626 175.233 176.870 -0.019 0.000 1.009 584 L CA -2.612 52.214 54.840 -0.025 0.000 0.819 584 L CB 1.587 43.631 42.059 -0.024 0.000 1.323 584 L HN -0.067 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 -0.928 62.166 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 1.067 178.366 177.300 -0.002 0.000 1.146 586 P CA 1.445 64.541 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 -4.953 109.601 114.554 -0.001 0.000 3.169 587 T HA 0.056 4.405 4.350 -0.001 0.000 0.250 587 T C 0.690 175.393 174.700 0.005 0.000 1.111 587 T CA -0.121 61.980 62.100 0.003 0.000 1.010 587 T CB -1.287 67.582 68.868 0.002 0.000 0.984 587 T HN -0.079 nan 8.240 nan 0.000 0.537 588 T N 4.385 118.941 114.554 0.003 0.000 2.831 588 T HA 0.265 4.615 4.350 -0.001 0.000 0.291 588 T C 0.832 175.542 174.700 0.017 0.000 0.981 588 T CA 0.174 62.278 62.100 0.006 0.000 1.174 588 T CB 0.409 69.277 68.868 0.001 0.000 0.929 588 T HN 0.687 nan 8.240 nan 0.000 0.532 589 T N 0.026 114.593 114.554 0.022 0.000 2.847 589 T HA 0.137 4.486 4.350 -0.001 0.000 0.279 589 T C 1.781 176.513 174.700 0.054 0.000 0.984 589 T CA -0.932 61.189 62.100 0.034 0.000 0.988 589 T CB 0.805 69.691 68.868 0.029 0.000 1.040 589 T HN 0.676 nan 8.240 nan 0.000 0.528 590 c N 0.558 119.204 118.600 0.076 0.000 2.419 590 c HA -0.024 4.545 4.570 -0.001 0.000 0.281 590 c C 2.728 176.891 174.090 0.120 0.000 1.336 590 c CA 1.371 57.776 56.329 0.126 0.000 1.770 590 c CB -1.588 41.010 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 4.229 4.340 -0.001 0.000 0.199 591 Q C 2.220 178.212 176.000 -0.015 0.000 0.966 591 Q CA 1.757 57.567 55.803 0.012 0.000 0.845 591 Q CB -0.468 28.274 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 4.151 4.340 -0.001 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 0.413 120.234 119.800 0.034 0.000 2.123 593 Q HA -0.122 4.217 4.340 -0.001 0.000 0.199 593 Q C 1.905 177.925 176.000 0.033 0.000 0.966 593 Q CA 0.838 56.685 55.803 0.074 0.000 0.845 593 Q CB -0.057 28.779 28.738 0.162 0.000 0.907 593 Q HN 0.185 nan 8.270 nan 0.000 0.439 594 K N 1.164 121.491 120.400 -0.122 0.000 2.209 594 K HA -0.202 4.117 4.320 -0.001 0.000 0.204 594 K C 1.854 178.265 176.600 -0.314 0.000 1.048 594 K CA 1.142 57.083 56.287 -0.577 0.000 0.940 594 K CB 0.140 32.150 32.500 -0.816 0.000 0.729 594 K HN 0.167 nan 8.250 nan 0.000 0.451 595 E N 0.222 120.325 120.200 -0.161 0.000 2.076 595 E HA -0.196 4.154 4.350 -0.001 0.000 0.190 595 E C 1.743 178.299 176.600 -0.072 0.000 0.979 595 E CA 0.948 57.285 56.400 -0.105 0.000 0.807 595 E CB 0.124 29.783 29.700 -0.069 0.000 0.761 595 E HN 0.241 nan 8.360 nan 0.000 0.454 596 E N 0.455 120.623 120.200 -0.053 0.000 2.072 596 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 596 E C 2.011 178.591 176.600 -0.033 0.000 0.982 596 E CA 0.990 57.367 56.400 -0.038 0.000 0.803 596 E CB -0.064 29.618 29.700 -0.030 0.000 0.755 596 E HN 0.304 nan 8.360 nan 0.000 0.453 597 L N -0.594 120.619 121.223 -0.016 0.000 2.102 597 L HA 0.092 4.431 4.340 -0.001 0.000 0.202 597 L C 0.813 177.682 176.870 -0.000 0.000 1.076 597 L CA 0.570 55.420 54.840 0.017 0.000 0.761 597 L CB 0.058 42.194 42.059 0.129 0.000 0.921 597 L HN 0.069 nan 8.230 nan 0.000 0.444 598 L N 1.630 122.818 121.223 -0.058 0.000 2.679 598 L HA 0.332 4.672 4.340 -0.001 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 0.633 42.633 42.059 -0.098 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 -0.125 177.161 177.300 -0.022 0.000 1.230 599 P CA -0.364 62.713 63.100 -0.038 0.000 0.788 599 P CB 1.231 32.918 31.700 -0.022 0.000 0.949 600 A N 2.436 125.244 122.820 -0.020 0.000 2.906 600 A HA 0.278 4.597 4.320 -0.001 0.000 0.289 600 A C 0.723 178.308 177.584 0.002 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 -0.111 119.697 119.800 0.013 0.000 2.696 601 Q HA 0.249 4.589 4.340 -0.001 0.000 0.346 601 Q C -1.898 174.128 176.000 0.044 0.000 0.708 601 Q CA -1.037 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 1.378 121.815 120.400 0.061 0.000 2.411 602 D HA 0.438 5.078 4.640 -0.001 0.000 0.225 602 D C -0.565 175.851 176.300 0.192 0.000 1.156 602 D CA 0.026 54.097 54.000 0.118 0.000 0.874 602 D CB 0.450 41.295 40.800 0.075 0.000 1.034 602 D HN 0.331 nan 8.370 nan 0.000 0.502 603 I N 1.397 122.071 120.570 0.174 0.000 2.396 603 I HA 0.145 4.314 4.170 -0.001 0.000 0.292 603 I C 0.973 177.148 176.117 0.097 0.000 0.999 603 I CA -0.706 60.666 61.300 0.119 0.000 1.310 603 I CB 1.098 39.132 38.000 0.057 0.000 1.404 603 I HN -0.125 nan 8.210 nan 0.000 0.496 604 K N 5.355 125.758 120.400 0.005 0.000 2.338 604 K HA 0.501 4.821 4.320 -0.001 0.000 0.290 604 K C -0.276 176.232 176.600 -0.154 0.000 1.069 604 K CA -0.089 56.077 56.287 -0.203 0.000 0.941 604 K CB 0.682 33.092 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 -0.192 0.000 2.470 605 A HA 0.869 5.188 4.320 -0.001 0.000 0.271 605 A C -1.418 176.120 177.584 -0.077 0.000 1.269 605 A CA -0.793 51.192 52.037 -0.087 0.000 0.828 605 A CB 0.855 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 -2.958 118.265 121.223 -0.000 0.000 2.710 606 L HA 0.885 5.224 4.340 -0.001 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 43.351 42.059 -0.014 0.000 1.461 606 L HN 1.090 nan 8.230 nan 0.000 0.413 607 F N -0.457 119.469 119.950 -0.040 0.000 2.574 607 F HA 0.899 5.426 4.527 -0.001 0.000 0.313 607 F C -1.021 174.782 175.800 0.005 0.000 1.130 607 F CA -1.349 56.636 58.000 -0.025 0.000 0.936 607 F CB 1.458 40.423 39.000 -0.058 0.000 1.219 607 F HN 0.370 nan 8.300 nan 0.000 0.445 608 V N 2.925 122.883 119.914 0.074 0.000 2.555 608 V HA 0.502 4.622 4.120 -0.001 0.000 0.286 608 V C 0.093 176.205 176.094 0.031 0.000 1.044 608 V CA 0.098 62.380 62.300 -0.031 0.000 1.026 608 V CB 0.851 32.686 31.823 0.020 0.000 0.981 608 V HN 0.940 nan 8.190 nan 0.000 0.480 609 S N 3.646 119.302 115.700 -0.074 0.000 2.549 609 S HA 0.541 5.011 4.470 -0.001 0.000 0.280 609 S C -0.916 173.663 174.600 -0.036 0.000 1.109 609 S CA -0.824 57.387 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 1.986 122.186 120.200 0.001 0.000 2.156 610 E HA 0.334 4.683 4.350 -0.001 0.000 0.279 610 E C -0.979 175.620 176.600 -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 31.099 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 4.471 4.350 -0.001 0.000 0.255 611 E C -0.885 175.711 176.600 -0.007 0.000 0.881 611 E CA -0.347 56.049 56.400 -0.008 0.000 0.752 611 E CB 1.036 30.726 29.700 -0.017 0.000 1.176 611 E HN 0.491 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 4.083 4.350 -0.001 0.000 0.240 612 E C -0.604 176.000 176.600 0.006 0.000 1.154 612 E CA 0.513 56.918 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 -4.204 116.203 120.400 0.012 0.000 3.281 613 K HA -0.241 4.078 4.320 -0.001 0.000 0.295 613 K C 0.027 176.622 176.600 -0.009 0.000 1.233 613 K CA 1.522 57.818 56.287 0.016 0.000 0.866 613 K CB -1.824 30.693 32.500 0.027 0.000 1.265 613 K HN 0.442 nan 8.250 nan 0.000 0.482 614 K N 1.254 121.633 120.400 -0.034 0.000 2.358 614 K HA 0.522 4.841 4.320 -0.001 0.000 0.260 614 K C -0.205 176.328 176.600 -0.113 0.000 0.956 614 K CA -0.586 55.658 56.287 -0.071 0.000 0.834 614 K CB 0.878 33.343 32.500 -0.059 0.000 1.102 614 K HN 0.223 nan 8.250 nan 0.000 0.431 615 L N 3.212 124.322 121.223 -0.188 0.000 2.536 615 L HA 0.173 4.512 4.340 -0.001 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 0.479 42.288 42.059 -0.415 0.000 1.311 615 L HN 0.820 nan 8.230 nan 0.000 0.455 616 T N 3.632 118.087 114.554 -0.165 0.000 2.907 616 T HA 0.403 4.753 4.350 -0.001 0.000 0.284 616 T C 0.237 174.816 174.700 -0.201 0.000 1.004 616 T CA -0.622 61.381 62.100 -0.162 0.000 1.063 616 T CB 0.770 69.561 68.868 -0.128 0.000 0.992 616 T HN 0.481 nan 8.240 nan 0.000 0.483 617 R N 3.153 123.534 120.500 -0.199 0.000 2.357 617 R HA 0.406 4.745 4.340 -0.001 0.000 0.296 617 R C -0.377 175.746 176.300 -0.295 0.000 1.052 617 R CA -0.807 55.155 56.100 -0.231 0.000 0.988 617 R CB 0.686 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 2.892 123.003 120.400 -0.481 0.000 2.507 618 K HA 0.128 4.448 4.320 -0.001 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 1.760 33.575 32.500 -1.142 0.000 1.127 618 K HN 0.603 nan 8.250 nan 0.000 0.437 619 E N 3.019 123.090 120.200 -0.215 0.000 2.259 619 E HA 0.270 4.620 4.350 -0.001 0.000 0.281 619 E C -0.269 176.263 176.600 -0.114 0.000 1.037 619 E CA -0.574 55.725 56.400 -0.168 0.000 0.854 619 E CB 0.749 30.339 29.700 -0.184 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 -0.001 0.000 0.311 620 V C -1.350 174.603 176.094 -0.235 0.000 1.208 620 V CA -0.975 61.311 62.300 -0.024 0.000 1.063 620 V CB 1.155 33.082 31.823 0.173 0.000 1.098 620 V HN 0.629 nan 8.190 nan 0.000 0.452 621 Y N -0.009 120.331 120.300 0.065 0.000 2.409 621 Y HA 0.715 5.264 4.550 -0.001 0.000 0.343 621 Y C 0.059 175.981 175.900 0.037 0.000 0.973 621 Y CA -0.731 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 4.611 125.284 120.570 0.170 0.000 2.325 622 I HA 0.223 4.392 4.170 -0.001 0.000 0.291 622 I C -0.349 175.825 176.117 0.095 0.000 1.019 622 I CA -1.007 60.356 61.300 0.105 0.000 1.302 622 I CB 0.759 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 4.400 4.320 -0.001 0.000 0.240 623 K C 0.370 176.991 176.600 0.035 0.000 1.193 623 K CA 0.045 56.352 56.287 0.034 0.000 1.104 623 K CB -0.395 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 0.829 119.553 118.700 0.040 0.000 2.254 624 N HA 0.008 4.747 4.740 -0.001 0.000 0.190 624 N C 0.778 176.301 175.510 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 0.474 nan 8.380 nan 0.000 0.487 625 G N 0.193 109.005 108.800 0.020 0.000 2.783 625 G HA2 0.002 3.962 3.960 -0.001 0.000 0.182 625 G HA3 0.002 3.962 3.960 -0.001 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 -0.775 119.628 120.400 0.005 0.000 2.224 626 D HA -0.057 4.583 4.640 -0.001 0.000 0.205 626 D C 1.750 178.053 176.300 0.006 0.000 0.965 626 D CA 0.882 54.885 54.000 0.005 0.000 0.852 626 D CB -0.008 40.791 40.800 -0.001 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 4.309 4.320 -0.001 0.000 0.193 627 K C 1.721 178.325 176.600 0.007 0.000 1.032 627 K CA 0.109 56.395 56.287 -0.003 0.000 1.004 627 K CB 0.046 32.535 32.500 -0.017 0.000 0.804 627 K HN 0.167 nan 8.250 nan 0.000 0.496 628 K N 0.919 121.329 120.400 0.017 0.000 2.103 628 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 628 K C 1.998 178.623 176.600 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 0.038 0.000 0.716 628 K HN 0.251 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 -0.001 0.000 0.214 629 G HA3 -0.174 3.786 3.960 -0.001 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 -0.001 0.000 0.233 630 S C 2.197 176.819 174.600 0.038 0.000 1.016 630 S CA 1.057 59.277 58.200 0.034 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 1.814 120.428 118.600 0.023 0.000 2.519 631 c HA 0.148 4.718 4.570 -0.001 0.000 0.281 631 c C 2.353 176.464 174.090 0.036 0.000 1.331 631 c CA 0.229 56.553 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 0.016 120.280 120.200 0.107 0.000 2.216 632 E HA -0.073 4.277 4.350 -0.001 0.000 0.192 632 E C 2.159 178.892 176.600 0.223 0.000 0.988 632 E CA 0.578 57.130 56.400 0.253 0.000 0.834 632 E CB -0.093 29.740 29.700 0.223 0.000 0.772 632 E HN 0.589 nan 8.360 nan 0.000 0.479 633 R N 0.866 121.455 120.500 0.148 0.000 2.316 633 R HA -0.049 4.291 4.340 -0.001 0.000 0.202 633 R C 0.627 177.036 176.300 0.180 0.000 1.029 633 R CA 0.495 56.673 56.100 0.130 0.000 1.018 633 R CB 0.148 30.504 30.300 0.092 0.000 0.888 633 R HN 0.092 nan 8.270 nan 0.000 0.471 634 D N 0.450 120.990 120.400 0.232 0.000 2.336 634 D HA 0.009 4.648 4.640 -0.001 0.000 0.229 634 D C 1.133 177.671 176.300 0.398 0.000 1.061 634 D CA 0.277 54.487 54.000 0.351 0.000 0.875 634 D CB 0.411 41.345 40.800 0.223 0.000 0.904 634 D HN 0.176 nan 8.370 nan 0.000 0.525 635 A N 0.345 123.343 122.820 0.297 0.000 2.235 635 A HA 0.026 4.345 4.320 -0.001 0.000 0.208 635 A C 2.132 179.825 177.584 0.181 0.000 1.172 635 A CA 1.004 53.191 52.037 0.250 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 -1.548 118.308 119.800 0.094 0.000 2.482 636 Q HA 0.038 4.377 4.340 -0.001 0.000 0.209 636 Q C 1.267 177.128 176.000 -0.231 0.000 0.961 636 Q CA 1.052 56.801 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 -0.733 119.583 120.300 0.028 0.000 2.458 637 Y HA 0.565 5.114 4.550 -0.001 0.000 0.254 637 Y C 1.489 177.439 175.900 0.083 0.000 1.120 637 Y CA -0.496 57.593 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 1.781 124.744 122.820 0.239 0.000 2.483 638 A HA 0.249 4.569 4.320 -0.001 0.000 0.238 638 A C -2.392 175.326 177.584 0.223 0.000 1.070 638 A CA -1.237 50.911 52.037 0.185 0.000 0.770 638 A CB -0.372 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 0.863 178.330 177.300 0.279 0.000 1.195 639 P CA 1.822 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 2.129 111.036 108.800 0.179 0.000 2.198 640 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.260 640 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.260 640 G C 0.052 174.968 174.900 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 -0.666 119.622 120.300 -0.019 0.000 2.738 641 Y HA 0.266 4.815 4.550 -0.001 0.000 0.249 641 Y C 1.558 177.430 175.900 -0.047 0.000 1.153 641 Y CA -0.174 57.905 58.100 -0.035 0.000 1.165 641 Y CB 0.616 39.070 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 -0.001 0.000 0.209 642 D C 0.547 176.820 176.300 -0.044 0.000 0.973 642 D CA 1.144 55.135 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 1.203 121.570 120.400 -0.055 0.000 2.480 643 K HA 0.243 4.563 4.320 -0.001 0.000 0.241 643 K C -0.836 175.713 176.600 -0.086 0.000 1.261 643 K CA -0.077 56.170 56.287 -0.066 0.000 1.193 643 K CB 0.531 32.992 32.500 -0.065 0.000 1.598 643 K HN -0.096 nan 8.250 nan 0.000 0.278 644 V N 2.430 122.299 119.914 -0.074 0.000 2.409 644 V HA 0.085 4.205 4.120 -0.001 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 1.520 33.305 31.823 -0.063 0.000 0.990 644 V HN 0.496 nan 8.190 nan 0.000 0.430 645 K N 2.315 122.677 120.400 -0.063 0.000 2.001 645 K HA -0.139 4.181 4.320 -0.001 0.000 0.214 645 K C 0.437 177.017 176.600 -0.033 0.000 1.050 645 K CA 1.891 58.149 56.287 -0.049 0.000 0.934 645 K CB 0.029 32.497 32.500 -0.053 0.000 0.718 645 K HN 0.743 nan 8.250 nan 0.000 0.443 646 D N -1.776 118.607 120.400 -0.028 0.000 2.732 646 D HA 0.156 4.795 4.640 -0.001 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 1.621 42.418 40.800 -0.006 0.000 1.590 646 D HN -0.107 nan 8.370 nan 0.000 0.468 647 I N 2.022 122.601 120.570 0.016 0.000 2.876 647 I HA 0.045 4.215 4.170 -0.001 0.000 0.264 647 I C 1.679 177.810 176.117 0.023 0.000 1.204 647 I CA 0.859 62.177 61.300 0.029 0.000 1.485 647 I CB -0.098 37.925 38.000 0.039 0.000 1.103 647 I HN 0.413 nan 8.210 nan 0.000 0.446 648 S N -0.354 115.361 115.700 0.026 0.000 2.607 648 S HA -0.073 4.397 4.470 -0.001 0.000 0.224 648 S C 1.790 176.418 174.600 0.047 0.000 0.969 648 S CA 0.750 58.970 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 0.507 nan 8.310 nan 0.000 0.533 649 E N 0.403 120.629 120.200 0.044 0.000 2.216 649 E HA 0.027 4.377 4.350 -0.001 0.000 0.192 649 E C 1.763 178.458 176.600 0.159 0.000 0.973 649 E CA 1.123 57.566 56.400 0.071 0.000 0.851 649 E CB 0.158 29.862 29.700 0.007 0.000 0.804 649 E HN 0.427 nan 8.360 nan 0.000 0.477 650 V N -2.043 117.924 119.914 0.087 0.000 2.949 650 V HA 0.252 4.372 4.120 -0.001 0.000 0.245 650 V C 0.904 176.875 176.094 -0.205 0.000 1.086 650 V CA 0.126 62.472 62.300 0.077 0.000 1.097 650 V CB 0.494 32.428 31.823 0.184 0.000 0.762 650 V HN -0.035 nan 8.190 nan 0.000 0.470 651 V N 4.026 123.815 119.914 -0.209 0.000 2.218 651 V HA 0.341 4.460 4.120 -0.001 0.000 0.261 651 V C 0.786 176.786 176.094 -0.157 0.000 1.142 651 V CA 0.376 62.438 62.300 -0.398 0.000 0.965 651 V CB -0.376 31.288 31.823 -0.266 0.000 1.190 651 V HN 0.712 nan 8.190 nan 0.000 0.478 652 T N 1.925 116.415 114.554 -0.107 0.000 2.860 652 T HA 0.251 4.601 4.350 -0.001 0.000 0.299 652 T C -1.455 173.389 174.700 0.239 0.000 1.045 652 T CA -1.612 60.566 62.100 0.131 0.000 1.071 652 T CB 1.207 70.176 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 1.020 178.389 177.300 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 -1.640 118.907 120.500 0.078 0.000 2.340 654 R HA 0.148 4.488 4.340 -0.001 0.000 0.215 654 R C -0.174 175.990 176.300 -0.227 0.000 1.017 654 R CA 0.231 56.241 56.100 -0.149 0.000 1.111 654 R CB -1.044 28.957 30.300 -0.499 0.000 1.049 654 R HN 0.167 nan 8.270 nan 0.000 0.490 655 F N -0.795 119.163 119.950 0.014 0.000 2.540 655 F HA 0.433 4.959 4.527 -0.001 0.000 0.317 655 F C -0.037 175.833 175.800 0.117 0.000 1.104 655 F CA -1.016 57.036 58.000 0.087 0.000 0.913 655 F CB 1.396 40.474 39.000 0.130 0.000 1.170 655 F HN -0.286 nan 8.300 nan 0.000 0.450 656 L N 2.226 123.606 121.223 0.262 0.000 2.334 656 L HA 0.628 4.967 4.340 -0.001 0.000 0.270 656 L C -0.768 176.166 176.870 0.108 0.000 1.018 656 L CA -0.840 54.113 54.840 0.188 0.000 0.811 656 L CB 1.932 44.095 42.059 0.173 0.000 1.271 656 L HN 0.629 nan 8.230 nan 0.000 0.443 657 c N 1.267 119.866 118.600 -0.002 0.000 2.408 657 c HA 0.843 5.413 4.570 -0.001 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 0.799 43.155 42.510 -0.256 0.000 2.178 657 c HN 0.952 nan 8.230 nan 0.000 0.488 658 T N 2.145 116.535 114.554 -0.274 0.000 2.669 658 T HA 0.931 5.280 4.350 -0.001 0.000 0.283 658 T C 0.284 174.877 174.700 -0.179 0.000 1.019 658 T CA 0.384 62.421 62.100 -0.105 0.000 1.039 658 T CB 0.808 69.712 68.868 0.059 0.000 1.374 658 T HN 2.492 nan 8.240 nan 0.000 0.523 659 G N -1.221 107.540 108.800 -0.065 0.000 2.782 659 G HA2 0.424 4.384 3.960 -0.001 0.000 0.228 659 G HA3 0.424 4.384 3.960 -0.001 0.000 0.228 659 G C 0.443 175.301 174.900 -0.070 0.000 1.372 659 G CA 0.303 45.357 45.100 -0.078 0.000 0.862 659 G HN 2.844 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 0.367 4.327 3.960 -0.001 0.000 0.202 660 G HA3 0.367 4.327 3.960 -0.001 0.000 0.202 660 G C 0.788 175.662 174.900 -0.044 0.000 1.247 660 G CA 1.716 46.771 45.100 -0.076 0.000 1.020 660 G HN 2.477 nan 8.290 nan 0.000 0.529 661 V N -3.724 116.159 119.914 -0.051 0.000 3.330 661 V HA 0.748 4.868 4.120 -0.001 0.000 0.309 661 V C 0.445 176.494 176.094 -0.075 0.000 1.481 661 V CA 1.134 63.407 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 5.166 4.470 -0.001 0.000 0.281 662 S C -2.269 172.245 174.600 -0.143 0.000 1.118 662 S CA -0.774 57.338 58.200 -0.147 0.000 0.947 662 S CB 2.374 65.499 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 -0.756 176.093 177.300 -0.752 0.000 1.191 663 P CA 0.569 63.377 63.100 -0.487 0.000 0.771 663 P CB -0.081 31.283 31.700 -0.559 0.000 0.929 664 Y N -1.072 119.094 120.300 -0.224 0.000 2.609 664 Y HA 0.570 5.119 4.550 -0.001 0.000 0.342 664 Y C 0.256 176.147 175.900 -0.014 0.000 1.058 664 Y CA -1.660 56.377 58.100 -0.104 0.000 1.055 664 Y CB 1.015 39.433 38.460 -0.070 0.000 1.292 664 Y HN -0.295 nan 8.280 nan 0.000 0.476 665 A N 1.892 124.819 122.820 0.178 0.000 2.785 665 A HA 0.195 4.514 4.320 -0.001 0.000 0.294 665 A C -0.822 176.845 177.584 0.138 0.000 1.597 665 A CA -0.312 51.788 52.037 0.106 0.000 1.283 665 A CB -1.118 17.924 19.000 0.070 0.000 1.088 665 A HN 0.560 nan 8.150 nan 0.000 0.568 666 D N 3.402 123.889 120.400 0.145 0.000 2.350 666 D HA 0.350 4.990 4.640 -0.001 0.000 0.249 666 D C -2.113 174.257 176.300 0.117 0.000 1.119 666 D CA -0.983 53.115 54.000 0.164 0.000 0.886 666 D CB 0.625 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 0.104 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 -0.140 63.063 63.100 0.172 0.000 0.793 667 P CB 0.686 32.503 31.700 0.195 0.000 0.984 668 N N -1.677 117.124 118.700 0.168 0.000 2.328 668 N HA 0.483 5.223 4.740 -0.001 0.000 0.299 668 N C -0.800 174.732 175.510 0.036 0.000 1.179 668 N CA -0.761 52.308 53.050 0.031 0.000 0.793 668 N CB 1.208 39.680 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 0.483 4.833 4.350 -0.001 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 2.541 121.168 118.600 0.046 0.000 2.354 670 c HA 0.552 5.121 4.570 -0.001 0.000 0.381 670 c C 2.120 176.243 174.090 0.055 0.000 1.240 670 c CA -0.900 55.459 56.329 0.050 0.000 2.089 670 c CB 1.157 43.708 42.510 0.068 0.000 2.234 670 c HN 1.008 nan 8.230 nan 0.000 0.544 671 R N 1.171 121.705 120.500 0.057 0.000 2.103 671 R HA -0.045 4.294 4.340 -0.001 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 -1.205 29.128 30.300 0.056 0.000 0.858 671 R HN 0.978 nan 8.270 nan 0.000 0.439 672 G N 0.238 109.068 108.800 0.050 0.000 2.448 672 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.219 672 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.219 672 G C 0.668 175.608 174.900 0.066 0.000 1.127 672 G CA 0.855 45.982 45.100 0.046 0.000 0.766 672 G HN 0.266 nan 8.290 nan 0.000 0.552 673 D N 0.263 120.717 120.400 0.090 0.000 2.363 673 D HA 0.048 4.687 4.640 -0.001 0.000 0.220 673 D C 1.458 177.822 176.300 0.107 0.000 0.994 673 D CA 0.148 54.222 54.000 0.123 0.000 0.890 673 D CB -0.024 40.882 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 4.714 4.470 -0.001 0.000 0.294 674 S C 1.463 176.116 174.600 0.088 0.000 1.279 674 S CA 0.946 59.219 58.200 0.121 0.000 1.069 674 S CB 0.184 63.473 63.200 0.150 0.000 0.828 674 S HN 0.493 nan 8.310 nan 0.000 0.497 675 G N 3.125 112.002 108.800 0.127 0.000 2.175 675 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.244 675 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.244 675 G C 0.492 175.465 174.900 0.122 0.000 0.982 675 G CA 0.035 45.199 45.100 0.107 0.000 0.641 675 G HN 1.297 nan 8.290 nan 0.000 0.527 676 G N 0.435 109.313 108.800 0.130 0.000 2.491 676 G HA2 0.533 4.493 3.960 -0.001 0.000 0.242 676 G HA3 0.533 4.493 3.960 -0.001 0.000 0.242 676 G C -2.163 172.806 174.900 0.116 0.000 1.266 676 G CA -0.473 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 0.200 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 -0.660 62.463 63.100 0.039 0.000 0.784 677 P CB 1.340 33.044 31.700 0.006 0.000 0.913 678 L N 5.118 126.290 121.223 -0.084 0.000 2.270 678 L HA 0.398 4.738 4.340 -0.001 0.000 0.286 678 L C -0.777 176.046 176.870 -0.078 0.000 1.059 678 L CA -0.098 54.661 54.840 -0.135 0.000 0.839 678 L CB -0.712 41.175 42.059 -0.288 0.000 1.221 678 L HN 0.237 nan 8.230 nan 0.000 0.431 679 I N 4.756 125.306 120.570 -0.034 0.000 2.525 679 I HA 0.418 4.587 4.170 -0.001 0.000 0.301 679 I C -0.524 175.602 176.117 0.015 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 4.034 123.946 119.914 -0.004 0.000 2.284 680 V HA 0.123 4.243 4.120 -0.001 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 0.480 32.284 31.823 -0.032 0.000 1.035 680 V HN 0.605 nan 8.190 nan 0.000 0.445 681 H N 6.090 125.052 119.070 -0.179 0.000 3.145 681 H HA 0.320 4.876 4.556 -0.001 0.000 0.263 681 H C -0.291 174.847 175.328 -0.317 0.000 1.057 681 H CA 0.641 56.453 56.048 -0.394 0.000 1.477 681 H CB 0.132 29.675 29.762 -0.364 0.000 1.529 681 H HN 0.412 nan 8.280 nan 0.000 0.508 682 K N 4.849 124.871 120.400 -0.630 0.000 2.513 682 K HA 0.259 4.579 4.320 -0.001 0.000 0.251 682 K C -0.104 176.203 176.600 -0.488 0.000 0.939 682 K CA -0.896 55.088 56.287 -0.504 0.000 0.793 682 K CB 2.110 34.448 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 3.422 683 R HA -0.171 4.168 4.340 -0.001 0.000 0.267 683 R C -0.330 175.780 176.300 -0.316 0.000 1.074 683 R CA 0.887 56.803 56.100 -0.306 0.000 0.718 683 R CB -3.000 27.173 30.300 -0.213 0.000 1.157 683 R HN 0.965 nan 8.270 nan 0.000 0.440 684 S N -2.381 113.068 115.700 -0.419 0.000 3.011 684 S HA -0.236 4.233 4.470 -0.001 0.000 0.278 684 S C 0.556 175.023 174.600 -0.220 0.000 1.300 684 S CA 1.960 60.026 58.200 -0.223 0.000 1.248 684 S CB -0.387 62.723 63.200 -0.150 0.000 1.517 684 S HN 0.480 nan 8.310 nan 0.000 0.685 685 R N -0.622 119.670 120.500 -0.346 0.000 2.782 685 R HA 0.746 5.086 4.340 -0.001 0.000 0.258 685 R C -0.720 175.330 176.300 -0.417 0.000 1.055 685 R CA -0.487 55.466 56.100 -0.245 0.000 1.065 685 R CB 0.377 30.566 30.300 -0.185 0.000 1.172 685 R HN 0.190 nan 8.270 nan 0.000 0.510 686 F N 1.399 121.293 119.950 -0.093 0.000 2.460 686 F HA 0.435 4.962 4.527 -0.001 0.000 0.341 686 F C -0.033 175.591 175.800 -0.294 0.000 1.130 686 F CA -0.767 57.124 58.000 -0.182 0.000 0.962 686 F CB 1.369 40.173 39.000 -0.328 0.000 1.171 686 F HN 0.025 nan 8.300 nan 0.000 0.436 687 I N 3.048 123.555 120.570 -0.104 0.000 2.406 687 I HA 0.285 4.455 4.170 -0.001 0.000 0.290 687 I C -0.245 175.785 176.117 -0.144 0.000 0.999 687 I CA -0.799 60.418 61.300 -0.139 0.000 1.124 687 I CB 1.516 39.456 38.000 -0.100 0.000 1.289 687 I HN 0.634 nan 8.210 nan 0.000 0.441 688 Q N 4.684 124.369 119.800 -0.191 0.000 2.288 688 Q HA 0.377 4.716 4.340 -0.001 0.000 0.258 688 Q C 0.212 176.145 176.000 -0.111 0.000 0.957 688 Q CA -0.172 55.532 55.803 -0.165 0.000 0.919 688 Q CB 1.449 30.072 28.738 -0.192 0.000 1.185 688 Q HN 0.687 nan 8.270 nan 0.000 0.408 689 V N 0.320 120.198 119.914 -0.059 0.000 3.337 689 V HA 0.636 4.755 4.120 -0.001 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 0.537 32.437 31.823 0.128 0.000 0.929 689 V HN 0.639 nan 8.190 nan 0.000 0.455 690 G N -0.558 108.228 108.800 -0.023 0.000 2.646 690 G HA2 0.604 4.564 3.960 -0.001 0.000 0.291 690 G HA3 0.604 4.564 3.960 -0.001 0.000 0.291 690 G C -1.935 172.957 174.900 -0.014 0.000 1.445 690 G CA -0.421 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 1.554 121.492 119.914 0.039 0.000 2.524 691 V HA 0.318 4.438 4.120 -0.001 0.000 0.297 691 V C 0.370 176.561 176.094 0.163 0.000 1.035 691 V CA -0.596 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 -0.104 4.065 4.170 -0.001 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 0.550 38.658 38.000 0.180 0.000 1.374 692 I HN 0.797 nan 8.210 nan 0.000 0.545 693 S N 7.721 123.528 115.700 0.178 0.000 2.655 693 S HA 0.216 4.685 4.470 -0.001 0.000 0.231 693 S C -0.218 174.451 174.600 0.114 0.000 1.044 693 S CA -0.151 58.200 58.200 0.251 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 -0.362 120.778 121.300 -0.266 0.000 2.937 694 W HA 0.642 5.302 4.660 -0.001 0.000 0.360 694 W C -0.656 175.726 176.519 -0.228 0.000 1.215 694 W CA -0.663 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 -0.260 108.458 108.800 -0.137 0.000 2.733 695 G HA2 0.523 4.483 3.960 -0.001 0.000 0.288 695 G HA3 0.523 4.483 3.960 -0.001 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 -0.628 119.238 119.914 -0.080 0.000 2.426 696 V HA 0.129 4.248 4.120 -0.001 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 0.359 nan 8.190 nan 0.000 0.462 697 V N 0.642 120.572 119.914 0.027 0.000 2.604 697 V HA 0.397 4.516 4.120 -0.001 0.000 0.305 697 V C -0.583 175.511 176.094 -0.000 0.000 1.043 697 V CA -0.593 61.722 62.300 0.026 0.000 0.888 697 V CB 1.800 33.603 31.823 -0.032 0.000 0.995 697 V HN 0.290 nan 8.190 nan 0.000 0.429 698 D N 3.090 123.505 120.400 0.025 0.000 2.713 698 D HA 0.074 4.713 4.640 -0.001 0.000 0.229 698 D C 1.319 177.625 176.300 0.011 0.000 1.136 698 D CA 0.020 54.033 54.000 0.022 0.000 1.010 698 D CB 0.745 41.571 40.800 0.043 0.000 1.084 698 D HN 0.464 nan 8.370 nan 0.000 0.495 699 V N 0.188 120.096 119.914 -0.010 0.000 2.688 699 V HA -0.186 3.933 4.120 -0.001 0.000 0.256 699 V C 1.700 177.799 176.094 0.008 0.000 1.084 699 V CA 0.870 63.164 62.300 -0.011 0.000 1.103 699 V CB -1.133 30.673 31.823 -0.028 0.000 0.688 699 V HN 0.563 nan 8.190 nan 0.000 0.480 700 c N 2.806 121.416 118.600 0.017 0.000 3.305 700 c HA 0.273 4.842 4.570 -0.001 0.000 0.566 700 c C 2.120 176.229 174.090 0.031 0.000 1.178 700 c CA -0.369 55.978 56.329 0.029 0.000 1.317 700 c CB -2.419 40.115 42.510 0.039 0.000 1.634 700 c HN 0.748 nan 8.230 nan 0.000 0.643 701 K N 2.260 122.676 120.400 0.027 0.000 2.220 701 K HA -0.249 4.070 4.320 -0.001 0.000 0.229 701 K C 0.231 176.852 176.600 0.035 0.000 0.800 701 K CA 1.970 58.275 56.287 0.030 0.000 0.965 701 K CB -0.222 32.294 32.500 0.026 0.000 0.560 701 K HN 0.791 nan 8.250 nan 0.000 0.785 702 N N -0.207 118.513 118.700 0.034 0.000 2.629 702 N HA 0.006 4.746 4.740 -0.001 0.000 0.277 702 N C -1.285 174.247 175.510 0.038 0.000 1.188 702 N CA 0.426 53.499 53.050 0.038 0.000 0.835 702 N CB 1.466 39.976 38.487 0.039 0.000 1.420 702 N HN 0.491 nan 8.380 nan 0.000 0.542 703 Q N 0.609 120.433 119.800 0.040 0.000 2.460 703 Q HA -0.224 4.116 4.340 -0.001 0.000 0.248 703 Q C -1.468 174.552 176.000 0.032 0.000 0.847 703 Q CA 1.710 57.536 55.803 0.039 0.000 1.214 703 Q CB -1.552 27.210 28.738 0.041 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 5.077 4.320 -0.001 0.000 0.275 704 K C -1.261 175.355 176.600 0.028 0.000 1.006 704 K CA -0.698 55.605 56.287 0.026 0.000 0.890 704 K CB 1.800 34.313 32.500 0.022 0.000 1.475 704 K HN 0.379 nan 8.250 nan 0.000 0.441 705 R N 1.224 121.738 120.500 0.024 0.000 2.792 705 R HA 0.349 4.688 4.340 -0.001 0.000 0.285 705 R C -0.821 175.490 176.300 0.018 0.000 1.207 705 R CA -0.637 55.478 56.100 0.025 0.000 1.091 705 R CB 1.318 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 -0.001 0.000 0.320 706 Q C -0.850 175.150 176.000 -0.000 0.000 0.673 706 Q CA -0.138 55.669 55.803 0.006 0.000 1.087 706 Q CB 0.194 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 4.054 4.320 -0.001 0.000 0.453 707 K C -0.670 175.925 176.600 -0.009 0.000 0.567 707 K CA 2.005 58.290 56.287 -0.002 0.000 1.620 707 K CB -1.072 31.428 32.500 0.000 0.000 0.787 707 K HN 0.553 nan 8.250 nan 0.000 1.126 708 Q N 1.619 121.411 119.800 -0.013 0.000 2.558 708 Q HA 0.384 4.723 4.340 -0.001 0.000 0.252 708 Q C -1.106 174.869 176.000 -0.042 0.000 1.015 708 Q CA -0.500 55.289 55.803 -0.023 0.000 0.720 708 Q CB 1.934 30.662 28.738 -0.016 0.000 1.215 708 Q HN 0.324 nan 8.270 nan 0.000 0.500 709 V N -0.009 119.871 119.914 -0.055 0.000 2.432 709 V HA 0.562 4.682 4.120 -0.001 0.000 0.275 709 V C -2.224 173.784 176.094 -0.144 0.000 1.043 709 V CA -1.935 60.311 62.300 -0.090 0.000 0.925 709 V CB 0.145 31.924 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 -0.392 0.000 1.215 710 P CA 0.018 62.874 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 1.403 124.035 122.820 -0.314 0.000 2.067 711 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 711 A C 1.340 178.801 177.584 -0.205 0.000 1.156 711 A CA 1.264 53.185 52.037 -0.194 0.000 0.683 711 A CB -1.315 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 -2.256 116.670 119.070 -0.240 0.000 2.526 712 H HA 0.630 5.185 4.556 -0.001 0.000 0.274 712 H C 0.648 175.864 175.328 -0.187 0.000 0.999 712 H CA 0.103 55.988 56.048 -0.271 0.000 1.157 712 H CB -0.461 28.929 29.762 -0.621 0.000 1.407 712 H HN 0.249 nan 8.280 nan 0.000 0.568 713 A N 2.464 125.069 122.820 -0.359 0.000 2.785 713 A HA 0.193 4.513 4.320 -0.001 0.000 0.294 713 A C -0.016 177.440 177.584 -0.214 0.000 1.597 713 A CA -0.569 51.319 52.037 -0.250 0.000 1.283 713 A CB -0.367 18.487 19.000 -0.244 0.000 1.088 713 A HN 0.307 nan 8.150 nan 0.000 0.568 714 R N 1.709 122.065 120.500 -0.240 0.000 2.668 714 R HA 0.526 4.865 4.340 -0.001 0.000 0.279 714 R C -1.391 174.540 176.300 -0.614 0.000 0.976 714 R CA -0.745 55.100 56.100 -0.425 0.000 0.978 714 R CB 1.181 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 1.537 121.487 120.400 -0.751 0.000 2.375 715 D HA 0.390 5.029 4.640 -0.001 0.000 0.247 715 D C -0.664 174.886 176.300 -1.251 0.000 1.061 715 D CA -0.203 53.295 54.000 -0.836 0.000 0.834 715 D CB 1.206 41.675 40.800 -0.551 0.000 1.247 715 D HN 0.181 nan 8.370 nan 0.000 0.489 716 F N 1.650 120.957 119.950 -1.071 0.000 2.469 716 F HA 0.355 4.882 4.527 -0.001 0.000 0.332 716 F C 0.689 176.018 175.800 -0.784 0.000 1.103 716 F CA -0.638 56.851 58.000 -0.851 0.000 0.979 716 F CB 1.513 40.002 39.000 -0.851 0.000 1.137 716 F HN 0.140 nan 8.300 nan 0.000 0.463 717 H N 3.463 122.583 119.070 0.083 0.000 2.690 717 H HA 0.396 4.951 4.556 -0.001 0.000 0.368 717 H C -0.611 174.640 175.328 -0.127 0.000 1.150 717 H CA -0.894 55.143 56.048 -0.018 0.000 1.174 717 H CB 2.311 32.046 29.762 -0.045 0.000 1.684 717 H HN 0.307 nan 8.280 nan 0.000 0.538 718 I N 2.565 123.068 120.570 -0.112 0.000 2.421 718 I HA -0.076 4.094 4.170 -0.001 0.000 0.291 718 I C 0.963 177.005 176.117 -0.124 0.000 1.089 718 I CA -0.282 60.832 61.300 -0.310 0.000 1.354 718 I CB -0.787 37.037 38.000 -0.293 0.000 1.413 718 I HN 0.435 nan 8.210 nan 0.000 0.513 719 N N 6.474 125.114 118.700 -0.099 0.000 2.440 719 N HA 0.008 4.747 4.740 -0.001 0.000 0.265 719 N C 0.907 176.430 175.510 0.023 0.000 1.239 719 N CA 0.160 53.229 53.050 0.031 0.000 0.909 719 N CB 0.880 39.424 38.487 0.096 0.000 1.066 719 N HN 0.503 nan 8.380 nan 0.000 0.474 720 L N 3.084 124.314 121.223 0.011 0.000 2.465 720 L HA -0.064 4.276 4.340 -0.001 0.000 0.224 720 L C 1.198 178.005 176.870 -0.105 0.000 1.145 720 L CA 0.608 55.407 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 -0.541 119.436 119.950 0.046 0.000 2.512 721 F HA -0.071 4.455 4.527 -0.001 0.000 0.296 721 F C 2.462 178.298 175.800 0.061 0.000 1.110 721 F CA 0.558 58.594 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 0.076 nan 8.300 nan 0.000 0.554 722 Q N 0.022 119.935 119.800 0.188 0.000 2.424 722 Q HA 0.059 4.398 4.340 -0.001 0.000 0.204 722 Q C 1.443 177.523 176.000 0.135 0.000 0.933 722 Q CA 0.778 56.651 55.803 0.117 0.000 0.929 722 Q CB 0.355 29.095 28.738 0.003 0.000 1.037 722 Q HN 0.431 nan 8.270 nan 0.000 0.511 723 V N -2.653 117.342 119.914 0.135 0.000 2.988 723 V HA 0.148 4.268 4.120 -0.001 0.000 0.356 723 V C 1.420 177.667 176.094 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 31.585 31.823 0.134 0.000 1.204 723 V HN 0.008 nan 8.190 nan 0.000 0.530 724 L N 1.877 123.202 121.223 0.169 0.000 1.989 724 L HA 0.096 4.435 4.340 -0.001 0.000 0.211 724 L C -0.200 176.692 176.870 0.036 0.000 1.071 724 L CA 2.676 57.572 54.840 0.093 0.000 0.749 724 L CB -1.450 40.673 42.059 0.108 0.000 0.890 724 L HN 0.290 nan 8.230 nan 0.000 0.431 725 P HA -0.204 nan 4.420 nan 0.000 0.218 725 P C 1.067 178.393 177.300 0.043 0.000 1.146 725 P CA 1.612 64.742 63.100 0.049 0.000 0.813 725 P CB -0.285 31.480 31.700 0.109 0.000 0.778 726 W N 0.127 121.412 121.300 -0.024 0.000 2.444 726 W HA -0.030 4.629 4.660 -0.003 0.000 0.308 726 W C 1.936 178.369 176.519 -0.144 0.000 1.183 726 W CA 1.058 58.374 57.345 -0.048 0.000 1.340 726 W CB -0.898 28.635 29.460 0.122 0.000 1.138 726 W HN -0.267 nan 8.180 nan 0.000 0.510 727 L N 1.023 122.211 121.223 -0.058 0.000 2.187 727 L HA -0.207 4.132 4.340 -0.001 0.000 0.213 727 L C 2.442 178.832 176.870 -0.800 0.000 1.100 727 L CA 1.586 56.191 54.840 -0.392 0.000 0.765 727 L CB -0.828 41.181 42.059 -0.083 0.000 0.904 727 L HN -0.010 nan 8.230 nan 0.000 0.437 728 K N -0.045 119.876 120.400 -0.797 0.000 2.366 728 K HA -0.189 4.131 4.320 -0.001 0.000 0.198 728 K C 1.907 178.179 176.600 -0.546 0.000 1.044 728 K CA 0.847 56.575 56.287 -0.931 0.000 0.973 728 K CB 0.328 32.488 32.500 -0.567 0.000 0.767 728 K HN 0.151 nan 8.250 nan 0.000 0.475 729 E N 0.438 120.346 120.200 -0.487 0.000 2.099 729 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 729 E C 1.420 177.759 176.600 -0.436 0.000 0.962 729 E CA 1.054 57.224 56.400 -0.383 0.000 0.826 729 E CB 0.240 29.744 29.700 -0.327 0.000 0.788 729 E HN -0.010 nan 8.360 nan 0.000 0.461 730 K N 0.296 120.306 120.400 -0.649 0.000 2.116 730 K HA 0.093 4.412 4.320 -0.001 0.000 0.203 730 K C 1.397 177.620 176.600 -0.628 0.000 1.052 730 K CA 0.681 56.576 56.287 -0.653 0.000 0.952 730 K CB -0.122 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 2.875 123.733 121.223 -0.608 0.000 2.805 731 L HA 0.107 4.446 4.340 -0.001 0.000 0.237 731 L C 1.997 178.774 176.870 -0.155 0.000 1.252 731 L CA -0.183 54.413 54.840 -0.406 0.000 1.064 731 L CB -0.333 41.595 42.059 -0.218 0.000 1.361 731 L HN 0.205 nan 8.230 nan 0.000 0.474 732 Q N -1.201 118.487 119.800 -0.187 0.000 2.172 732 Q HA -0.130 4.209 4.340 -0.001 0.000 0.200 732 Q C 0.431 176.418 176.000 -0.021 0.000 0.964 732 Q CA 1.162 56.912 55.803 -0.088 0.000 0.855 732 Q CB 0.033 28.701 28.738 -0.118 0.000 0.918 732 Q HN 0.326 nan 8.270 nan 0.000 0.444 733 D N 0.536 120.921 120.400 -0.026 0.000 2.340 733 D HA 0.013 4.653 4.640 -0.001 0.000 0.217 733 D C 0.685 177.019 176.300 0.057 0.000 1.081 733 D CA 0.154 54.162 54.000 0.014 0.000 0.842 733 D CB 0.401 41.204 40.800 0.005 0.000 0.934 733 D HN 0.260 nan 8.370 nan 0.000 0.511 734 E N 0.607 120.847 120.200 0.067 0.000 2.502 734 E HA -0.059 4.290 4.350 -0.001 0.000 0.194 734 E C 0.108 176.771 176.600 0.106 0.000 1.062 734 E CA 0.097 56.571 56.400 0.123 0.000 0.867 734 E CB -0.010 29.767 29.700 0.128 0.000 0.888 734 E HN 0.082 nan 8.360 nan 0.000 0.510 735 D N 0.367 120.814 120.400 0.078 0.000 2.697 735 D HA -0.204 4.435 4.640 -0.001 0.000 0.238 735 D C 0.498 176.822 176.300 0.039 0.000 1.152 735 D CA 0.261 54.296 54.000 0.059 0.000 0.666 735 D CB -1.160 39.676 40.800 0.060 0.000 1.037 735 D HN 0.248 nan 8.370 nan 0.000 0.423 736 L N -0.114 121.123 121.223 0.023 0.000 2.221 736 L HA 0.228 4.567 4.340 -0.001 0.000 0.202 736 L C 2.020 178.802 176.870 -0.145 0.000 1.074 736 L CA 0.751 55.538 54.840 -0.088 0.000 0.795 736 L CB -0.102 41.841 42.059 -0.194 0.000 0.960 736 L HN 0.458 nan 8.230 nan 0.000 0.458 737 G N 0.173 108.929 108.800 -0.073 0.000 2.288 737 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.205 737 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.205 737 G C -0.086 174.769 174.900 -0.076 0.000 1.071 737 G CA -0.729 44.340 45.100 -0.052 0.000 0.788 737 G HN 0.005 nan 8.290 nan 0.000 0.491 738 F N -0.193 119.737 119.950 -0.033 0.000 2.589 738 F HA 0.340 4.867 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 0.098 58.078 58.000 -0.032 0.000 1.353 738 F CB 0.493 39.467 39.000 -0.044 0.000 1.116 738 F HN 0.059 nan 8.300 nan 0.000 0.608 739 L N 3.544 124.880 121.223 0.189 0.000 2.313 739 L HA 0.201 4.540 4.340 -0.001 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 3.324 126.190 122.820 0.078 0.000 2.076 740 A HA -0.020 4.299 4.320 -0.001 0.000 0.220 740 A C 1.442 179.058 177.584 0.053 0.000 1.160 740 A CA 1.309 53.380 52.037 0.056 0.000 0.653 740 A CB -0.256 18.767 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 4.319 4.320 -0.001 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