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_L 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 0.177 0.000 0.988 235 K CA 0.000 56.366 56.287 0.131 0.000 0.838 235 K CB 0.000 32.557 32.500 0.096 0.000 1.064 236 I N 1.967 122.600 120.570 0.105 0.000 2.173 236 I HA 0.049 4.219 4.170 -0.000 0.000 0.207 236 I C -0.721 175.409 176.117 0.021 0.000 1.449 236 I CA -0.788 60.570 61.300 0.097 0.000 1.290 236 I CB 0.531 38.616 38.000 0.143 0.000 1.772 236 I HN 0.030 nan 8.210 nan 0.000 0.376 237 V N 4.389 124.297 119.914 -0.010 0.000 2.953 237 V HA 0.188 4.308 4.120 -0.000 0.000 0.304 237 V C -0.524 175.550 176.094 -0.032 0.000 1.138 237 V CA 0.312 62.595 62.300 -0.028 0.000 1.266 237 V CB 1.358 33.145 31.823 -0.060 0.000 0.923 237 V HN 0.584 nan 8.190 nan 0.000 0.505 238 L N 5.583 126.790 121.223 -0.025 0.000 2.492 238 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 238 L C -1.520 175.358 176.870 0.012 0.000 1.028 238 L CA -0.002 54.817 54.840 -0.034 0.000 0.900 238 L CB 0.748 42.746 42.059 -0.100 0.000 1.191 238 L HN 1.225 nan 8.230 nan 0.000 0.459 239 D N 3.093 123.499 120.400 0.009 0.000 2.745 239 D HA 0.335 4.975 4.640 -0.000 0.000 0.221 239 D C -2.715 173.594 176.300 0.014 0.000 1.237 239 D CA -1.103 52.911 54.000 0.024 0.000 0.781 239 D CB 1.235 42.050 40.800 0.025 0.000 1.575 239 D HN 0.065 nan 8.370 nan 0.000 0.482 240 P HA -0.003 nan 4.420 nan 0.000 0.234 240 P C 0.991 178.297 177.300 0.010 0.000 1.167 240 P CA 0.703 63.810 63.100 0.012 0.000 0.763 240 P CB 0.074 31.783 31.700 0.014 0.000 0.835 241 S N -1.590 114.117 115.700 0.012 0.000 2.660 241 S HA 0.232 4.701 4.470 -0.000 0.000 0.228 241 S C 0.952 175.558 174.600 0.010 0.000 0.966 241 S CA 0.238 58.445 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 0.652 109.457 108.800 0.008 0.000 2.691 242 G HA2 0.455 4.415 3.960 -0.000 0.000 0.298 242 G HA3 0.455 4.415 3.960 -0.000 0.000 0.298 242 G C -0.761 174.140 174.900 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 1.142 116.842 115.700 0.001 0.000 2.579 243 S HA 0.700 5.170 4.470 -0.000 0.000 0.275 243 S C 0.317 174.893 174.600 -0.041 0.000 1.345 243 S CA -0.227 57.963 58.200 -0.016 0.000 1.031 243 S CB 1.569 64.766 63.200 -0.005 0.000 0.892 243 S HN 0.870 nan 8.310 nan 0.000 0.529 244 M N 1.541 121.093 119.600 -0.079 0.000 2.667 244 M HA 0.515 4.995 4.480 -0.000 0.000 0.286 244 M C -1.950 174.237 176.300 -0.188 0.000 1.270 244 M CA -0.746 54.482 55.300 -0.120 0.000 0.826 244 M CB 2.100 34.638 32.600 -0.104 0.000 1.743 244 M HN 0.764 nan 8.290 nan 0.000 0.460 245 N N 2.278 120.847 118.700 -0.218 0.000 2.260 245 N HA 0.546 5.286 4.740 -0.000 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 0.600 nan 8.380 nan 0.000 0.475 246 I N 2.726 123.003 120.570 -0.487 0.000 2.464 246 I HA 0.240 4.410 4.170 -0.000 0.000 0.277 246 I C -0.863 175.135 176.117 -0.199 0.000 1.040 246 I CA -0.624 60.509 61.300 -0.278 0.000 1.153 246 I CB 0.523 38.302 38.000 -0.369 0.000 1.274 246 I HN 0.344 nan 8.210 nan 0.000 0.469 247 Y N 6.340 126.706 120.300 0.110 0.000 2.600 247 Y HA 0.325 4.874 4.550 -0.000 0.000 0.351 247 Y C 0.283 176.270 175.900 0.144 0.000 1.042 247 Y CA -0.490 57.691 58.100 0.136 0.000 1.333 247 Y CB 0.275 38.816 38.460 0.135 0.000 1.172 247 Y HN 0.376 nan 8.280 nan 0.000 0.517 248 L N 5.156 126.522 121.223 0.238 0.000 2.312 248 L HA 0.334 4.674 4.340 -0.000 0.000 0.287 248 L C -0.531 176.446 176.870 0.178 0.000 1.091 248 L CA -0.628 54.319 54.840 0.177 0.000 0.846 248 L CB 0.084 42.211 42.059 0.112 0.000 1.219 248 L HN 0.316 nan 8.230 nan 0.000 0.439 249 V N 4.777 124.804 119.914 0.188 0.000 2.394 249 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 249 V C -0.134 176.099 176.094 0.231 0.000 1.031 249 V CA -0.539 61.886 62.300 0.208 0.000 0.881 249 V CB 2.078 33.990 31.823 0.148 0.000 0.982 249 V HN 0.410 nan 8.190 nan 0.000 0.451 250 L N 4.038 125.433 121.223 0.286 0.000 2.386 250 L HA 0.674 5.014 4.340 -0.000 0.000 0.271 250 L C -0.681 176.371 176.870 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 43.965 42.059 -0.004 0.000 1.294 250 L HN 0.697 nan 8.230 nan 0.000 0.414 251 D N 2.416 122.928 120.400 0.187 0.000 2.225 251 D HA 0.550 5.190 4.640 -0.000 0.000 0.248 251 D C 0.477 176.833 176.300 0.093 0.000 1.096 251 D CA 0.138 54.060 54.000 -0.130 0.000 0.863 251 D CB 1.770 42.531 40.800 -0.066 0.000 1.156 251 D HN 0.691 nan 8.370 nan 0.000 0.450 252 G N 1.873 110.604 108.800 -0.115 0.000 4.100 252 G HA2 0.207 4.167 3.960 -0.000 0.000 0.294 252 G HA3 0.207 4.167 3.960 -0.000 0.000 0.294 252 G C 0.317 174.967 174.900 -0.417 0.000 1.040 252 G CA -0.034 44.890 45.100 -0.294 0.000 0.829 252 G HN 0.496 nan 8.290 nan 0.000 0.505 253 S N -0.818 114.737 115.700 -0.242 0.000 2.686 253 S HA 0.265 4.735 4.470 -0.000 0.000 0.270 253 S C 0.809 175.404 174.600 -0.009 0.000 1.194 253 S CA -0.234 57.879 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 1.109 121.535 120.400 0.043 0.000 2.182 254 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 254 D C 2.103 178.467 176.300 0.106 0.000 0.986 254 D CA 1.719 55.785 54.000 0.111 0.000 0.847 254 D CB -0.654 40.187 40.800 0.068 0.000 0.942 254 D HN 0.666 nan 8.370 nan 0.000 0.467 255 S N 0.126 115.869 115.700 0.073 0.000 2.474 255 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 255 S C 1.905 176.567 174.600 0.104 0.000 0.997 255 S CA 0.308 58.552 58.200 0.073 0.000 0.949 255 S CB 0.077 63.310 63.200 0.055 0.000 0.766 255 S HN 0.164 nan 8.310 nan 0.000 0.517 256 I N 1.710 122.368 120.570 0.146 0.000 2.296 256 I HA 0.214 4.384 4.170 -0.000 0.000 0.242 256 I C 1.596 177.851 176.117 0.230 0.000 1.087 256 I CA 1.375 62.797 61.300 0.204 0.000 1.393 256 I CB -2.219 35.947 38.000 0.277 0.000 1.093 256 I HN 0.509 nan 8.210 nan 0.000 0.421 257 G N 0.103 109.076 108.800 0.289 0.000 2.712 257 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.686 257 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.686 257 G C 0.651 175.595 174.900 0.073 0.000 1.321 257 G CA -0.052 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 0.332 122.968 122.820 -0.306 0.000 2.015 258 A HA 0.269 4.589 4.320 -0.000 0.000 0.219 258 A C 2.673 180.255 177.584 -0.003 0.000 1.163 258 A CA 2.712 54.556 52.037 -0.323 0.000 0.646 258 A CB -0.417 18.321 19.000 -0.437 0.000 0.806 258 A HN 1.940 nan 8.150 nan 0.000 0.448 259 S N -0.690 115.014 115.700 0.006 0.000 2.453 259 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 259 S C 1.600 176.246 174.600 0.077 0.000 1.005 259 S CA 1.305 59.526 58.200 0.035 0.000 0.949 259 S CB -0.436 62.774 63.200 0.017 0.000 0.774 259 S HN 0.757 nan 8.310 nan 0.000 0.510 260 N N -1.262 117.514 118.700 0.127 0.000 2.348 260 N HA 0.156 4.896 4.740 -0.000 0.000 0.183 260 N C 1.072 176.686 175.510 0.174 0.000 1.094 260 N CA 0.146 53.276 53.050 0.132 0.000 0.885 260 N CB 0.057 38.621 38.487 0.129 0.000 1.065 260 N HN 0.349 nan 8.380 nan 0.000 0.472 261 F N 2.022 122.054 119.950 0.137 0.000 2.206 261 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 261 F C 2.203 178.060 175.800 0.094 0.000 1.090 261 F CA 1.184 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 -0.546 114.166 114.554 0.263 0.000 2.821 262 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 262 T C 2.095 176.788 174.700 -0.013 0.000 1.046 262 T CA 1.299 63.466 62.100 0.113 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 0.001 0.000 2.572 263 G HA2 0.153 4.113 3.960 -0.000 0.000 0.216 263 G HA3 0.153 4.113 3.960 -0.000 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 0.820 123.556 122.820 -0.141 0.000 2.014 264 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 264 A C 2.264 179.666 177.584 -0.304 0.000 1.163 264 A CA 1.416 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 -0.084 120.124 120.400 -0.319 0.000 2.062 265 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 265 K C 1.746 178.229 176.600 -0.195 0.000 1.051 265 K CA 1.012 57.126 56.287 -0.288 0.000 0.941 265 K CB -0.118 32.219 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 4.169 4.320 -0.000 0.000 0.208 266 K C 1.603 178.158 176.600 -0.075 0.000 1.047 266 K CA 0.812 57.047 56.287 -0.088 0.000 0.928 266 K CB -0.674 31.795 32.500 -0.052 0.000 0.716 266 K HN 0.161 nan 8.250 nan 0.000 0.446 267 C N 1.523 120.740 119.300 -0.138 0.000 2.554 267 C HA 0.305 4.765 4.460 -0.000 0.000 0.434 267 C C 1.395 176.239 174.990 -0.245 0.000 1.316 267 C CA -0.232 58.669 59.018 -0.194 0.000 1.671 267 C CB -2.118 25.410 27.740 -0.354 0.000 2.172 267 C HN 0.346 nan 8.230 nan 0.000 0.601 268 L N -1.316 119.823 121.223 -0.139 0.000 2.598 268 L HA 0.054 4.393 4.340 -0.000 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 41.508 42.059 -0.179 0.000 2.544 268 L HN 0.149 nan 8.230 nan 0.000 0.561 269 V N 0.889 120.725 119.914 -0.129 0.000 2.270 269 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 269 V C 1.892 177.916 176.094 -0.118 0.000 1.043 269 V CA 2.559 64.774 62.300 -0.141 0.000 1.014 269 V CB -0.643 31.100 31.823 -0.133 0.000 0.645 269 V HN 0.448 nan 8.190 nan 0.000 0.447 270 N N -0.092 118.563 118.700 -0.076 0.000 2.289 270 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 270 N C 1.732 177.086 175.510 -0.261 0.000 1.016 270 N CA 0.985 53.964 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 -0.000 0.000 0.207 271 L C 1.910 178.725 176.870 -0.093 0.000 1.072 271 L CA 1.334 56.119 54.840 -0.092 0.000 0.744 271 L CB -0.466 41.691 42.059 0.164 0.000 0.895 271 L HN 0.100 nan 8.230 nan 0.000 0.433 272 I N -0.264 120.273 120.570 -0.056 0.000 2.248 272 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 272 I C 2.463 178.541 176.117 -0.065 0.000 1.107 272 I CA 1.565 62.841 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 1.662 121.787 120.200 -0.126 0.000 2.072 273 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 273 E C 2.096 178.621 176.600 -0.125 0.000 0.985 273 E CA 1.523 57.848 56.400 -0.126 0.000 0.801 273 E CB -0.124 29.489 29.700 -0.146 0.000 0.750 273 E HN 0.258 nan 8.360 nan 0.000 0.452 274 K N -0.627 119.655 120.400 -0.196 0.000 2.366 274 K HA 0.018 4.338 4.320 -0.000 0.000 0.198 274 K C 1.559 178.133 176.600 -0.042 0.000 1.044 274 K CA 0.681 56.855 56.287 -0.188 0.000 0.973 274 K CB 0.278 32.520 32.500 -0.429 0.000 0.767 274 K HN 0.058 nan 8.250 nan 0.000 0.475 275 V N 0.323 120.214 119.914 -0.038 0.000 2.599 275 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 275 V C 2.092 178.232 176.094 0.077 0.000 1.046 275 V CA 1.615 63.920 62.300 0.008 0.000 1.065 275 V CB 0.217 32.066 31.823 0.044 0.000 0.703 275 V HN 0.362 nan 8.190 nan 0.000 0.464 276 A N 0.709 123.567 122.820 0.063 0.000 2.067 276 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 276 A C 2.441 180.042 177.584 0.029 0.000 1.156 276 A CA 1.536 53.606 52.037 0.055 0.000 0.683 276 A CB -0.506 18.512 19.000 0.030 0.000 0.808 276 A HN 0.645 nan 8.150 nan 0.000 0.455 277 S N -1.455 114.254 115.700 0.016 0.000 2.419 277 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 277 S C 1.636 176.194 174.600 -0.070 0.000 1.016 277 S CA 1.197 59.365 58.200 -0.053 0.000 0.974 277 S CB -0.733 62.406 63.200 -0.101 0.000 0.786 277 S HN 0.547 nan 8.310 nan 0.000 0.492 278 Y N 1.991 122.233 120.300 -0.097 0.000 2.519 278 Y HA 0.324 4.874 4.550 -0.000 0.000 0.287 278 Y C 2.255 178.123 175.900 -0.054 0.000 1.128 278 Y CA 0.212 58.264 58.100 -0.080 0.000 1.282 278 Y CB -0.201 38.215 38.460 -0.074 0.000 1.027 278 Y HN 0.485 nan 8.280 nan 0.000 0.551 279 G N -0.881 107.969 108.800 0.082 0.000 2.254 279 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.225 279 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.225 279 G C 0.149 175.076 174.900 0.045 0.000 1.003 279 G CA 0.006 45.128 45.100 0.038 0.000 0.622 279 G HN 0.059 nan 8.290 nan 0.000 0.507 280 V N 1.359 121.310 119.914 0.062 0.000 2.901 280 V HA 0.312 4.432 4.120 -0.000 0.000 0.307 280 V C 0.714 176.825 176.094 0.029 0.000 1.084 280 V CA 0.949 63.268 62.300 0.032 0.000 1.184 280 V CB 1.211 33.040 31.823 0.010 0.000 0.941 280 V HN 0.370 nan 8.190 nan 0.000 0.493 281 K N 4.816 125.223 120.400 0.013 0.000 2.562 281 K HA 0.389 4.709 4.320 -0.000 0.000 0.206 281 K C -2.669 173.920 176.600 -0.019 0.000 1.033 281 K CA -1.358 54.945 56.287 0.026 0.000 1.029 281 K CB 1.045 33.564 32.500 0.032 0.000 1.393 281 K HN 0.457 nan 8.250 nan 0.000 0.539 282 P HA 0.178 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 -0.626 62.325 63.100 -0.248 0.000 0.794 282 P CB 0.705 32.083 31.700 -0.537 0.000 0.955 283 R N 2.385 122.775 120.500 -0.184 0.000 2.612 283 R HA 0.189 4.529 4.340 -0.000 0.000 0.273 283 R C -0.237 175.979 176.300 -0.139 0.000 1.376 283 R CA -0.278 55.773 56.100 -0.082 0.000 1.171 283 R CB -0.661 29.611 30.300 -0.048 0.000 1.151 283 R HN 0.508 nan 8.270 nan 0.000 0.560 284 Y N 0.395 120.672 120.300 -0.038 0.000 2.702 284 Y HA 0.088 4.638 4.550 -0.000 0.000 0.336 284 Y C 1.488 177.366 175.900 -0.038 0.000 1.235 284 Y CA 0.805 58.872 58.100 -0.054 0.000 1.492 284 Y CB 0.815 39.269 38.460 -0.010 0.000 1.308 284 Y HN 0.507 nan 8.280 nan 0.000 0.589 285 G N 3.104 111.961 108.800 0.096 0.000 2.643 285 G HA2 0.541 4.501 3.960 -0.000 0.000 0.305 285 G HA3 0.541 4.501 3.960 -0.000 0.000 0.305 285 G C -2.280 172.736 174.900 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 2.999 124.346 121.223 0.207 0.000 2.404 286 L HA 0.726 5.065 4.340 -0.000 0.000 0.272 286 L C -1.055 176.004 176.870 0.315 0.000 0.980 286 L CA -0.869 54.084 54.840 0.187 0.000 0.836 286 L CB 1.986 44.081 42.059 0.060 0.000 1.238 286 L HN 0.298 nan 8.230 nan 0.000 0.408 287 V N 3.358 123.459 119.914 0.312 0.000 2.488 287 V HA 0.446 4.566 4.120 -0.000 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 5.059 4.350 -0.000 0.000 0.293 288 T C -0.685 174.363 174.700 0.580 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 0.605 0.000 0.921 288 T HN 0.777 nan 8.240 nan 0.000 0.502 289 Y N 1.217 121.683 120.300 0.277 0.000 2.576 289 Y HA 0.880 5.430 4.550 -0.000 0.000 0.346 289 Y C -0.016 175.838 175.900 -0.076 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 0.815 nan 8.280 nan 0.000 0.474 290 A N 1.353 123.953 122.820 -0.368 0.000 1.677 290 A HA 0.273 4.593 4.320 -0.000 0.000 0.149 290 A C 1.005 178.475 177.584 -0.190 0.000 1.624 290 A CA 0.716 52.491 52.037 -0.436 0.000 1.596 290 A CB -0.185 18.481 19.000 -0.555 0.000 1.396 290 A HN 0.725 nan 8.150 nan 0.000 1.088 291 T N -1.040 113.391 114.554 -0.206 0.000 3.018 291 T HA 0.340 4.690 4.350 -0.000 0.000 0.246 291 T C -0.746 173.653 174.700 -0.501 0.000 1.026 291 T CA 0.737 62.674 62.100 -0.272 0.000 1.081 291 T CB -0.027 68.710 68.868 -0.218 0.000 0.970 291 T HN 0.310 nan 8.240 nan 0.000 0.475 292 Y N 1.318 121.588 120.300 -0.050 0.000 2.331 292 Y HA 0.433 4.982 4.550 -0.000 0.000 0.326 292 Y C -2.716 173.207 175.900 0.038 0.000 1.020 292 Y CA -2.885 55.220 58.100 0.008 0.000 1.136 292 Y CB 1.289 39.757 38.460 0.012 0.000 1.157 292 Y HN -0.032 nan 8.280 nan 0.000 0.444 293 P HA 0.084 nan 4.420 nan 0.000 0.271 293 P C -0.878 176.579 177.300 0.261 0.000 1.238 293 P CA -0.504 62.759 63.100 0.271 0.000 0.794 293 P CB 0.739 32.569 31.700 0.215 0.000 0.959 294 K N 1.648 122.219 120.400 0.286 0.000 2.616 294 K HA 0.344 4.664 4.320 -0.000 0.000 0.241 294 K C -1.006 175.621 176.600 0.046 0.000 0.961 294 K CA -0.597 55.752 56.287 0.103 0.000 0.942 294 K CB 0.166 32.677 32.500 0.017 0.000 1.153 294 K HN 0.215 nan 8.250 nan 0.000 0.452 295 I N 4.821 125.412 120.570 0.035 0.000 2.576 295 I HA -0.003 4.167 4.170 -0.000 0.000 0.288 295 I C 0.445 176.580 176.117 0.030 0.000 1.126 295 I CA 0.089 61.450 61.300 0.103 0.000 1.362 295 I CB 0.055 38.119 38.000 0.106 0.000 1.419 295 I HN 0.705 nan 8.210 nan 0.000 0.533 296 W N 4.685 126.034 121.300 0.082 0.000 2.488 296 W HA 0.155 4.815 4.660 -0.000 0.000 0.304 296 W C 0.420 176.976 176.519 0.062 0.000 1.175 296 W CA 0.508 57.878 57.345 0.040 0.000 1.365 296 W CB -0.195 29.252 29.460 -0.021 0.000 1.131 296 W HN 0.108 nan 8.180 nan 0.000 0.520 297 V N 1.258 121.366 119.914 0.323 0.000 2.588 297 V HA 0.297 4.417 4.120 -0.000 0.000 0.304 297 V C -0.269 175.977 176.094 0.254 0.000 1.042 297 V CA -1.522 60.947 62.300 0.280 0.000 0.877 297 V CB 1.666 33.611 31.823 0.204 0.000 0.996 297 V HN -0.162 nan 8.190 nan 0.000 0.425 298 K N 2.061 122.608 120.400 0.246 0.000 2.110 298 K HA 0.442 4.762 4.320 -0.000 0.000 0.263 298 K C 0.599 177.308 176.600 0.181 0.000 0.975 298 K CA -0.642 55.764 56.287 0.200 0.000 0.895 298 K CB 2.137 34.737 32.500 0.167 0.000 1.060 298 K HN 0.603 nan 8.250 nan 0.000 0.448 299 V N -0.961 119.048 119.914 0.159 0.000 3.602 299 V HA -0.052 4.068 4.120 -0.000 0.000 0.289 299 V C 0.917 177.080 176.094 0.115 0.000 1.265 299 V CA 1.112 63.478 62.300 0.110 0.000 1.202 299 V CB -0.977 30.891 31.823 0.075 0.000 1.012 299 V HN 0.782 nan 8.190 nan 0.000 0.431 300 S N -1.808 113.965 115.700 0.121 0.000 2.589 300 S HA 0.278 4.748 4.470 -0.000 0.000 0.235 300 S C 0.574 175.224 174.600 0.084 0.000 1.051 300 S CA -0.399 57.861 58.200 0.101 0.000 0.978 300 S CB -0.073 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 0.433 4.783 4.350 -0.000 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 1.273 124.086 122.820 -0.013 0.000 2.178 302 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 302 A C 0.786 178.332 177.584 -0.062 0.000 1.157 302 A CA 0.484 52.503 52.037 -0.029 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 -0.283 120.043 120.400 -0.124 0.000 2.369 303 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 303 D C 1.563 177.928 176.300 0.109 0.000 1.077 303 D CA 0.915 54.783 54.000 -0.219 0.000 0.842 303 D CB 0.194 40.479 40.800 -0.858 0.000 0.947 303 D HN 0.502 nan 8.370 nan 0.000 0.509 304 S N -0.362 115.447 115.700 0.182 0.000 2.660 304 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 304 S C 1.511 176.267 174.600 0.260 0.000 0.963 304 S CA 0.221 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 -0.080 115.736 115.700 0.194 0.000 2.603 305 S HA 0.281 4.751 4.470 -0.000 0.000 0.232 305 S C 0.137 174.836 174.600 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 2.169 120.977 118.700 0.179 0.000 2.645 306 N HA 0.571 5.311 4.740 -0.000 0.000 0.233 306 N C 1.027 176.629 175.510 0.153 0.000 1.058 306 N CA 0.205 53.344 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 0.275 nan 8.380 nan 0.000 0.512 307 A N 3.145 126.006 122.820 0.069 0.000 1.917 307 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 307 A C 1.575 179.120 177.584 -0.066 0.000 1.182 307 A CA 1.656 53.653 52.037 -0.067 0.000 0.633 307 A CB -0.277 18.688 19.000 -0.059 0.000 0.819 307 A HN 0.640 nan 8.150 nan 0.000 0.448 308 D N -1.889 118.515 120.400 0.007 0.000 2.182 308 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 308 D C 1.513 177.851 176.300 0.063 0.000 0.986 308 D CA 1.383 55.391 54.000 0.013 0.000 0.847 308 D CB -0.329 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 4.606 4.660 -0.000 0.000 0.293 309 W C 2.015 178.492 176.519 -0.069 0.000 1.201 309 W CA 0.530 57.847 57.345 -0.048 0.000 1.328 309 W CB -0.356 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 0.846 120.662 119.914 -0.163 0.000 2.392 310 V HA -0.350 3.770 4.120 -0.000 0.000 0.249 310 V C 2.180 178.013 176.094 -0.434 0.000 1.059 310 V CA 2.510 64.559 62.300 -0.418 0.000 1.051 310 V CB -1.516 30.096 31.823 -0.352 0.000 0.658 310 V HN 0.219 nan 8.190 nan 0.000 0.455 311 T N -0.384 113.973 114.554 -0.328 0.000 2.746 311 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 311 T C 1.940 176.478 174.700 -0.270 0.000 1.039 311 T CA 1.764 63.694 62.100 -0.282 0.000 1.142 311 T CB -0.201 68.544 68.868 -0.206 0.000 0.866 311 T HN 0.528 nan 8.240 nan 0.000 0.444 312 K N 0.718 120.963 120.400 -0.257 0.000 2.032 312 K HA -0.193 4.126 4.320 -0.000 0.000 0.209 312 K C 2.380 178.798 176.600 -0.303 0.000 1.048 312 K CA 1.259 57.411 56.287 -0.225 0.000 0.927 312 K CB -0.061 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 0.781 120.295 119.800 -0.477 0.000 2.002 313 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 313 Q C 2.271 177.951 176.000 -0.534 0.000 0.988 313 Q CA 1.332 56.851 55.803 -0.475 0.000 0.843 313 Q CB -0.636 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 1.771 122.692 121.223 -0.502 0.000 2.042 314 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 314 L C 1.879 178.524 176.870 -0.376 0.000 1.076 314 L CA 1.995 56.547 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 -0.170 118.358 118.700 -0.288 0.000 2.244 315 N HA -0.229 4.511 4.740 -0.000 0.000 0.183 315 N C 1.857 177.267 175.510 -0.166 0.000 1.016 315 N CA 1.451 54.383 53.050 -0.196 0.000 0.866 315 N CB -0.076 38.318 38.487 -0.154 0.000 0.980 315 N HN 0.641 nan 8.380 nan 0.000 0.430 316 E N -0.401 119.678 120.200 -0.201 0.000 2.371 316 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 316 E C -0.006 176.503 176.600 -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 3.297 123.649 120.570 -0.364 0.000 2.792 317 I HA -0.112 4.058 4.170 -0.000 0.000 0.284 317 I C 0.350 176.458 176.117 -0.014 0.000 1.166 317 I CA 0.051 61.109 61.300 -0.403 0.000 1.375 317 I CB -0.320 37.293 38.000 -0.644 0.000 1.421 317 I HN 0.092 nan 8.210 nan 0.000 0.544 318 N N 5.820 124.567 118.700 0.078 0.000 2.499 318 N HA -0.012 4.727 4.740 -0.000 0.000 0.281 318 N C 0.689 176.246 175.510 0.079 0.000 1.098 318 N CA -0.091 53.028 53.050 0.114 0.000 0.979 318 N CB 0.794 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 -0.000 0.000 0.272 319 Y C 1.038 176.695 175.900 -0.405 0.000 1.185 319 Y CA 1.954 59.712 58.100 -0.569 0.000 1.120 319 Y CB 0.174 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 0.121 0.000 2.335 320 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 320 E C 0.954 177.538 176.600 -0.027 0.000 1.150 320 E CA 0.296 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 1.624 121.943 120.400 -0.135 0.000 2.123 321 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 321 D C 0.289 176.463 176.300 -0.209 0.000 0.992 321 D CA 1.096 54.990 54.000 -0.177 0.000 0.833 321 D CB 0.199 40.871 40.800 -0.213 0.000 0.954 321 D HN 0.488 nan 8.370 nan 0.000 0.455 322 H N -1.823 117.225 119.070 -0.036 0.000 2.991 322 H HA 0.355 4.911 4.556 -0.000 0.000 0.304 322 H C 0.366 175.662 175.328 -0.054 0.000 1.040 322 H CA -0.598 55.435 56.048 -0.025 0.000 1.410 322 H CB 1.448 31.212 29.762 0.004 0.000 1.529 322 H HN -0.093 nan 8.280 nan 0.000 0.509 323 K N 2.414 122.882 120.400 0.112 0.000 2.354 323 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 323 K C 0.669 177.308 176.600 0.065 0.000 1.045 323 K CA -0.057 56.279 56.287 0.081 0.000 1.026 323 K CB 0.529 33.079 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 -0.000 0.000 0.206 324 L C 0.519 177.418 176.870 0.049 0.000 1.074 324 L CA 1.688 56.562 54.840 0.055 0.000 0.745 324 L CB -0.100 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 -0.404 120.027 120.400 0.052 0.000 2.403 325 K HA 0.176 4.496 4.320 -0.000 0.000 0.235 325 K C 1.051 177.634 176.600 -0.028 0.000 1.142 325 K CA 0.231 56.536 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 0.084 nan 8.250 nan 0.000 0.424 326 S N -0.199 115.492 115.700 -0.016 0.000 2.653 326 S HA -0.040 4.430 4.470 -0.000 0.000 0.233 326 S C 1.124 175.695 174.600 -0.048 0.000 0.970 326 S CA -0.301 57.879 58.200 -0.033 0.000 0.947 326 S CB -0.304 62.896 63.200 0.000 0.000 0.771 326 S HN 0.512 nan 8.310 nan 0.000 0.538 327 G N 0.578 109.348 108.800 -0.050 0.000 2.690 327 G HA2 0.367 4.327 3.960 -0.000 0.000 0.239 327 G HA3 0.367 4.327 3.960 -0.000 0.000 0.239 327 G C -0.318 174.547 174.900 -0.058 0.000 1.233 327 G CA -0.229 44.844 45.100 -0.046 0.000 0.847 327 G HN 0.326 nan 8.290 nan 0.000 0.588 328 T N 0.448 115.003 114.554 0.001 0.000 3.514 328 T HA 0.158 4.508 4.350 -0.000 0.000 0.259 328 T C 0.344 175.162 174.700 0.196 0.000 1.466 328 T CA -0.460 61.679 62.100 0.064 0.000 1.562 328 T CB -0.336 68.585 68.868 0.089 0.000 0.924 328 T HN 0.610 nan 8.240 nan 0.000 0.678 329 N N 1.396 120.185 118.700 0.147 0.000 2.466 329 N HA 0.047 4.787 4.740 -0.000 0.000 0.263 329 N C 1.033 176.627 175.510 0.139 0.000 1.178 329 N CA -0.083 53.029 53.050 0.103 0.000 0.983 329 N CB 0.456 38.916 38.487 -0.045 0.000 1.331 329 N HN 0.178 nan 8.380 nan 0.000 0.500 330 T N 2.134 116.723 114.554 0.059 0.000 2.896 330 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 330 T C 1.795 176.323 174.700 -0.286 0.000 1.050 330 T CA 0.716 62.677 62.100 -0.231 0.000 1.140 330 T CB 0.025 68.778 68.868 -0.192 0.000 0.877 330 T HN 0.512 nan 8.240 nan 0.000 0.457 331 K N 1.131 121.405 120.400 -0.211 0.000 2.113 331 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 331 K C 2.259 178.770 176.600 -0.148 0.000 1.047 331 K CA 1.458 57.639 56.287 -0.176 0.000 0.928 331 K CB -0.038 32.381 32.500 -0.136 0.000 0.716 331 K HN 0.021 nan 8.250 nan 0.000 0.446 332 K N 0.652 120.975 120.400 -0.128 0.000 2.103 332 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 332 K C 1.728 178.269 176.600 -0.098 0.000 1.052 332 K CA 1.435 57.665 56.287 -0.094 0.000 0.945 332 K CB -0.417 32.035 32.500 -0.080 0.000 0.722 332 K HN 0.236 nan 8.250 nan 0.000 0.443 333 A N 0.815 123.519 122.820 -0.193 0.000 1.858 333 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 333 A C 2.214 179.702 177.584 -0.160 0.000 1.190 333 A CA 1.705 53.602 52.037 -0.234 0.000 0.617 333 A CB -0.796 17.778 19.000 -0.711 0.000 0.827 333 A HN 0.313 nan 8.150 nan 0.000 0.443 334 L N -0.744 120.362 121.223 -0.194 0.000 2.201 334 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 334 L C 2.815 179.643 176.870 -0.070 0.000 1.105 334 L CA 1.492 56.257 54.840 -0.125 0.000 0.775 334 L CB -0.493 41.483 42.059 -0.138 0.000 0.913 334 L HN 0.613 nan 8.230 nan 0.000 0.440 335 Q N 0.333 120.085 119.800 -0.080 0.000 2.170 335 Q HA -0.213 4.127 4.340 -0.000 0.000 0.203 335 Q C 2.242 178.249 176.000 0.011 0.000 0.976 335 Q CA 1.652 57.420 55.803 -0.058 0.000 0.858 335 Q CB 0.030 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 -0.304 122.525 122.820 0.015 0.000 1.930 336 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 336 A C 2.135 179.758 177.584 0.066 0.000 1.176 336 A CA 1.043 53.112 52.037 0.054 0.000 0.632 336 A CB -0.446 18.594 19.000 0.067 0.000 0.819 336 A HN 0.278 nan 8.150 nan 0.000 0.445 337 V N -1.125 118.806 119.914 0.030 0.000 2.469 337 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 337 V C 2.308 178.354 176.094 -0.080 0.000 1.064 337 V CA 2.055 64.339 62.300 -0.028 0.000 1.066 337 V CB -1.144 30.606 31.823 -0.120 0.000 0.667 337 V HN 0.718 nan 8.190 nan 0.000 0.461 338 Y N 1.445 121.656 120.300 -0.148 0.000 2.207 338 Y HA -0.271 4.279 4.550 -0.000 0.000 0.287 338 Y C 2.681 178.499 175.900 -0.136 0.000 1.156 338 Y CA 1.973 59.974 58.100 -0.166 0.000 1.182 338 Y CB -0.126 38.243 38.460 -0.152 0.000 0.979 338 Y HN 0.249 nan 8.280 nan 0.000 0.521 339 S N -0.060 115.671 115.700 0.052 0.000 2.406 339 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 339 S C 1.911 176.501 174.600 -0.017 0.000 1.020 339 S CA 1.245 59.448 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 1.700 121.327 119.600 0.045 0.000 2.106 340 M HA -0.107 4.373 4.480 -0.000 0.000 0.259 340 M C 2.173 178.566 176.300 0.155 0.000 1.068 340 M CA 1.604 57.002 55.300 0.164 0.000 1.100 340 M CB -1.187 31.629 32.600 0.360 0.000 1.351 340 M HN 0.526 nan 8.290 nan 0.000 0.404 341 M N -2.860 116.745 119.600 0.008 0.000 2.465 341 M HA 0.182 4.662 4.480 -0.000 0.000 0.249 341 M C 0.860 177.039 176.300 -0.201 0.000 1.130 341 M CA 0.202 55.505 55.300 0.005 0.000 1.067 341 M CB -0.046 32.480 32.600 -0.122 0.000 1.394 341 M HN -0.038 nan 8.290 nan 0.000 0.483 342 S N 3.189 118.655 115.700 -0.390 0.000 2.519 342 S HA 0.151 4.621 4.470 -0.000 0.000 0.320 342 S C -0.135 174.268 174.600 -0.327 0.000 1.179 342 S CA -0.731 57.114 58.200 -0.593 0.000 1.173 342 S CB -0.509 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 5.576 126.788 121.300 -0.147 0.000 2.148 343 W HA 0.400 5.060 4.660 -0.000 0.000 0.347 343 W C -2.398 174.070 176.519 -0.085 0.000 1.288 343 W CA -2.671 54.608 57.345 -0.109 0.000 1.252 343 W CB -1.016 28.339 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 0.202 177.615 177.300 0.189 0.000 1.563 344 P CA 0.644 63.827 63.100 0.139 0.000 1.241 344 P CB -0.001 31.762 31.700 0.104 0.000 1.811 345 D N 1.597 122.096 120.400 0.166 0.000 3.507 345 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 345 D C 0.408 176.859 176.300 0.252 0.000 1.323 345 D CA 0.780 54.871 54.000 0.152 0.000 1.106 345 D CB -1.009 39.842 40.800 0.085 0.000 0.619 345 D HN 0.262 nan 8.370 nan 0.000 0.732 346 D N 0.376 120.855 120.400 0.131 0.000 2.379 346 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 346 D C 0.083 176.384 176.300 0.001 0.000 1.088 346 D CA 0.574 54.624 54.000 0.084 0.000 0.925 346 D CB -0.217 40.608 40.800 0.043 0.000 0.888 346 D HN 0.256 nan 8.370 nan 0.000 0.529 347 V N -1.676 118.220 119.914 -0.030 0.000 2.409 347 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 347 V C -2.896 172.890 176.094 -0.514 0.000 1.017 347 V CA -2.416 59.773 62.300 -0.185 0.000 0.841 347 V CB 2.008 33.782 31.823 -0.082 0.000 1.003 347 V HN -0.261 nan 8.190 nan 0.000 0.426 348 P HA 0.428 nan 4.420 nan 0.000 0.276 348 P C -2.450 174.557 177.300 -0.489 0.000 1.253 348 P CA -0.908 61.449 63.100 -1.239 0.000 0.766 348 P CB 0.197 31.187 31.700 -1.184 0.000 0.845 349 P HA -0.016 nan 4.420 nan 0.000 0.272 349 P C 0.012 177.400 177.300 0.148 0.000 1.248 349 P CA -0.253 62.842 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 0.943 121.204 120.200 0.100 0.000 2.480 350 E HA 0.009 4.359 4.350 -0.000 0.000 0.258 350 E C 0.585 177.238 176.600 0.089 0.000 0.984 350 E CA 0.481 56.929 56.400 0.082 0.000 0.930 350 E CB -0.551 29.175 29.700 0.044 0.000 0.936 350 E HN 0.730 nan 8.360 nan 0.000 0.466 351 G N 6.876 115.684 108.800 0.013 0.000 2.424 351 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.290 351 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.290 351 G C 0.831 175.657 174.900 -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 0.941 122.202 121.300 -0.065 0.000 2.335 352 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 352 W C 1.560 178.089 176.519 0.018 0.000 1.213 352 W CA 1.307 58.644 57.345 -0.013 0.000 1.274 352 W CB -1.364 28.058 29.460 -0.064 0.000 1.148 352 W HN 0.527 nan 8.180 nan 0.000 0.498 353 N N 1.666 119.840 118.700 -0.878 0.000 2.430 353 N HA -0.243 4.497 4.740 -0.000 0.000 0.186 353 N C 1.508 176.741 175.510 -0.462 0.000 1.032 353 N CA 1.760 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 0.178 4.517 4.340 -0.000 0.000 0.197 354 R C -0.386 176.012 176.300 0.163 0.000 0.971 354 R CA 0.208 56.310 56.100 0.004 0.000 1.030 354 R CB -0.775 29.507 30.300 -0.031 0.000 0.932 354 R HN 0.162 nan 8.270 nan 0.000 0.477 355 T N 2.334 116.960 114.554 0.119 0.000 2.869 355 T HA 0.317 4.667 4.350 -0.000 0.000 0.295 355 T C -0.144 174.635 174.700 0.131 0.000 0.987 355 T CA -0.518 61.630 62.100 0.081 0.000 1.109 355 T CB 0.907 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 2.458 122.980 120.500 0.037 0.000 2.459 356 R HA 0.333 4.673 4.340 -0.000 0.000 0.281 356 R C -0.124 176.108 176.300 -0.114 0.000 1.050 356 R CA -0.400 55.745 56.100 0.075 0.000 1.055 356 R CB 0.482 30.791 30.300 0.015 0.000 1.045 356 R HN 0.701 nan 8.270 nan 0.000 0.495 357 H N 0.780 120.008 119.070 0.264 0.000 2.658 357 H HA 0.367 4.923 4.556 -0.000 0.000 0.337 357 H C -0.774 174.732 175.328 0.296 0.000 1.009 357 H CA -0.650 55.595 56.048 0.328 0.000 1.231 357 H CB 2.068 32.023 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 -0.000 0.000 0.290 358 V C 0.245 176.616 176.094 0.461 0.000 1.017 358 V CA -0.519 62.011 62.300 0.383 0.000 0.841 358 V CB 1.635 33.632 31.823 0.290 0.000 1.003 358 V HN 0.596 nan 8.190 nan 0.000 0.426 359 I N 5.992 126.797 120.570 0.391 0.000 2.315 359 I HA 0.446 4.615 4.170 -0.000 0.000 0.291 359 I C -0.251 176.080 176.117 0.356 0.000 1.006 359 I CA -0.253 61.252 61.300 0.341 0.000 1.265 359 I CB 1.422 39.525 38.000 0.171 0.000 1.387 359 I HN 0.477 nan 8.210 nan 0.000 0.475 360 I N 7.651 128.426 120.570 0.342 0.000 2.523 360 I HA 0.169 4.339 4.170 -0.000 0.000 0.281 360 I C -0.392 175.904 176.117 0.298 0.000 1.126 360 I CA -0.600 60.920 61.300 0.366 0.000 1.187 360 I CB 0.792 38.968 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 2.360 361 L HA 0.362 4.702 4.340 -0.000 0.000 0.276 361 L C -0.176 176.875 176.870 0.301 0.000 1.121 361 L CA 0.556 55.539 54.840 0.238 0.000 0.845 361 L CB 0.690 42.844 42.059 0.159 0.000 1.143 361 L HN 0.463 nan 8.230 nan 0.000 0.452 362 M N 5.855 125.615 119.600 0.268 0.000 2.325 362 M HA 0.262 4.742 4.480 -0.000 0.000 0.305 362 M C -0.159 176.291 176.300 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 33.552 32.600 0.124 0.000 1.307 362 M HN 0.772 nan 8.290 nan 0.000 0.418 363 T N -0.787 113.923 114.554 0.261 0.000 2.883 363 T HA 0.356 4.706 4.350 -0.000 0.000 0.284 363 T C 0.041 174.857 174.700 0.194 0.000 1.041 363 T CA -0.490 61.757 62.100 0.245 0.000 1.007 363 T CB 1.298 70.354 68.868 0.313 0.000 1.220 363 T HN 0.679 nan 8.240 nan 0.000 0.552 364 D N -0.781 119.720 120.400 0.168 0.000 2.402 364 D HA 0.249 4.889 4.640 -0.000 0.000 0.216 364 D C 1.390 177.768 176.300 0.130 0.000 1.128 364 D CA 0.691 54.772 54.000 0.136 0.000 0.833 364 D CB -0.374 40.494 40.800 0.113 0.000 0.971 364 D HN 0.959 nan 8.370 nan 0.000 0.503 365 G N 1.051 109.948 108.800 0.162 0.000 2.435 365 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.245 365 G HA3 -0.332 3.628 3.960 -0.000 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 3.707 125.005 121.223 0.126 0.000 2.617 366 L HA 0.283 4.623 4.340 -0.000 0.000 0.282 366 L C 0.876 177.805 176.870 0.099 0.000 1.174 366 L CA -0.269 54.606 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 1.660 120.759 119.070 0.049 0.000 2.505 367 H HA 0.284 4.840 4.556 -0.000 0.000 0.338 367 H C -0.375 174.968 175.328 0.025 0.000 1.057 367 H CA -0.810 55.269 56.048 0.052 0.000 1.202 367 H CB 1.047 30.851 29.762 0.070 0.000 1.466 367 H HN 0.551 nan 8.280 nan 0.000 0.499 368 N N 3.469 122.192 118.700 0.040 0.000 2.414 368 N HA 0.053 4.793 4.740 -0.000 0.000 0.189 368 N C 0.239 175.769 175.510 0.034 0.000 1.039 368 N CA -0.187 52.855 53.050 -0.014 0.000 0.889 368 N CB 0.300 38.780 38.487 -0.012 0.000 1.085 368 N HN 0.328 nan 8.380 nan 0.000 0.442 369 M N 0.841 120.469 119.600 0.046 0.000 2.242 369 M HA 0.337 4.817 4.480 -0.000 0.000 0.344 369 M C 0.605 176.937 176.300 0.053 0.000 1.140 369 M CA 0.241 55.554 55.300 0.021 0.000 1.160 369 M CB 0.984 33.562 32.600 -0.035 0.000 1.491 369 M HN 0.600 nan 8.290 nan 0.000 0.459 370 G N 1.312 110.124 108.800 0.020 0.000 2.685 370 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.387 370 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.387 370 G C -0.255 174.675 174.900 0.049 0.000 1.324 370 G CA -0.643 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 -0.955 107.855 108.800 0.016 0.000 3.182 371 G HA2 0.503 4.463 3.960 -0.000 0.000 0.167 371 G HA3 0.503 4.463 3.960 -0.000 0.000 0.167 371 G C -0.607 174.328 174.900 0.058 0.000 1.537 371 G CA 0.977 46.096 45.100 0.032 0.000 1.046 371 G HN 0.923 nan 8.290 nan 0.000 0.580 372 D N -0.105 120.300 120.400 0.007 0.000 2.392 372 D HA 0.435 5.075 4.640 -0.000 0.000 0.228 372 D C -1.711 174.527 176.300 -0.104 0.000 1.074 372 D CA -2.200 51.791 54.000 -0.016 0.000 0.838 372 D CB 1.864 42.676 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 1.495 178.723 177.300 -0.121 0.000 1.150 373 P CA 0.351 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 -0.792 119.724 120.570 -0.090 0.000 2.226 374 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 374 I C 2.302 178.379 176.117 -0.066 0.000 1.100 374 I CA 1.918 63.180 61.300 -0.064 0.000 1.374 374 I CB -1.966 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 0.769 115.282 114.554 -0.069 0.000 2.803 375 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 375 T C 2.021 176.669 174.700 -0.086 0.000 1.052 375 T CA 1.288 63.344 62.100 -0.072 0.000 1.136 375 T CB -0.151 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 2.023 121.879 119.914 -0.097 0.000 2.358 376 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 376 V C 2.570 178.626 176.094 -0.063 0.000 1.047 376 V CA 1.233 63.474 62.300 -0.099 0.000 1.035 376 V CB -0.533 31.226 31.823 -0.107 0.000 0.658 376 V HN 0.507 nan 8.190 nan 0.000 0.452 377 I N 0.553 121.085 120.570 -0.062 0.000 2.361 377 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 377 I C 2.066 178.159 176.117 -0.041 0.000 1.133 377 I CA 1.545 62.815 61.300 -0.050 0.000 1.413 377 I CB -1.213 36.754 38.000 -0.056 0.000 1.073 377 I HN 0.355 nan 8.210 nan 0.000 0.424 378 D N 0.569 120.941 120.400 -0.046 0.000 2.234 378 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 378 D C 2.116 178.396 176.300 -0.033 0.000 0.962 378 D CA 0.696 54.671 54.000 -0.041 0.000 0.855 378 D CB 0.046 40.818 40.800 -0.047 0.000 0.951 378 D HN 0.439 nan 8.370 nan 0.000 0.500 379 E N 0.298 120.476 120.200 -0.037 0.000 2.046 379 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 379 E C 2.189 178.842 176.600 0.088 0.000 0.982 379 E CA 0.409 56.798 56.400 -0.019 0.000 0.800 379 E CB 0.066 29.687 29.700 -0.131 0.000 0.756 379 E HN 0.263 nan 8.360 nan 0.000 0.449 380 I N 0.992 121.616 120.570 0.090 0.000 2.454 380 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 380 I C 2.471 178.588 176.117 -0.000 0.000 1.156 380 I CA 0.481 61.808 61.300 0.045 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 4.133 4.340 -0.000 0.000 0.237 381 R C 1.626 177.925 176.300 -0.002 0.000 1.131 381 R CA 1.707 57.804 56.100 -0.006 0.000 0.982 381 R CB -0.492 29.794 30.300 -0.022 0.000 0.868 381 R HN 0.399 nan 8.270 nan 0.000 0.453 382 D N -0.607 119.797 120.400 0.007 0.000 2.323 382 D HA -0.067 4.573 4.640 -0.000 0.000 0.218 382 D C 1.879 178.220 176.300 0.069 0.000 0.973 382 D CA 0.092 54.099 54.000 0.010 0.000 0.890 382 D CB 0.015 40.817 40.800 0.004 0.000 1.011 382 D HN 0.006 nan 8.370 nan 0.000 0.499 383 L N 0.773 122.022 121.223 0.044 0.000 2.012 383 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 383 L C 1.614 178.561 176.870 0.128 0.000 1.073 383 L CA 1.490 56.316 54.840 -0.024 0.000 0.748 383 L CB -0.775 41.132 42.059 -0.252 0.000 0.891 383 L HN 0.190 nan 8.230 nan 0.000 0.431 384 L N -1.163 120.131 121.223 0.120 0.000 2.675 384 L HA -0.085 4.255 4.340 -0.000 0.000 0.239 384 L C 0.377 177.477 176.870 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 0.106 0.000 1.057 384 L HN 0.276 nan 8.230 nan 0.000 0.435 385 Y N 0.727 121.142 120.300 0.192 0.000 3.078 385 Y HA -0.259 4.291 4.550 -0.000 0.000 0.202 385 Y C -0.003 175.954 175.900 0.095 0.000 1.322 385 Y CA -0.155 58.041 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 0.715 121.311 120.570 0.044 0.000 2.412 386 I HA 0.461 4.631 4.170 -0.000 0.000 0.296 386 I C 1.349 177.438 176.117 -0.047 0.000 0.987 386 I CA -0.185 61.137 61.300 0.036 0.000 1.180 386 I CB 1.512 39.556 38.000 0.074 0.000 1.340 386 I HN 0.446 nan 8.210 nan 0.000 0.455 387 G N 4.677 113.459 108.800 -0.031 0.000 2.305 387 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.287 387 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.287 387 G C 0.492 175.327 174.900 -0.108 0.000 1.036 387 G CA 0.052 45.123 45.100 -0.049 0.000 0.887 387 G HN 0.602 nan 8.290 nan 0.000 0.505 388 K N -0.327 119.952 120.400 -0.203 0.000 2.501 388 K HA 0.275 4.595 4.320 -0.000 0.000 0.204 388 K C -0.066 176.399 176.600 -0.225 0.000 1.067 388 K CA -0.067 56.047 56.287 -0.288 0.000 1.060 388 K CB 1.073 33.249 32.500 -0.540 0.000 0.873 388 K HN 0.466 nan 8.250 nan 0.000 0.540 389 D N -0.845 119.499 120.400 -0.092 0.000 2.596 389 D HA 0.452 5.092 4.640 -0.000 0.000 0.234 389 D C 0.954 177.270 176.300 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 1.397 121.919 120.500 0.037 0.000 2.060 390 R HA 0.131 4.471 4.340 -0.000 0.000 0.225 390 R C 1.997 178.318 176.300 0.034 0.000 1.155 390 R CA 2.369 58.486 56.100 0.028 0.000 0.930 390 R CB -1.773 28.543 30.300 0.026 0.000 0.829 390 R HN 0.530 nan 8.270 nan 0.000 0.433 391 K N 0.913 121.339 120.400 0.042 0.000 2.404 391 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 391 K C 0.647 177.280 176.600 0.055 0.000 1.023 391 K CA 0.496 56.808 56.287 0.042 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 0.620 119.363 118.700 0.072 0.000 2.791 392 N HA 0.157 4.897 4.740 -0.000 0.000 0.265 392 N C -2.415 173.161 175.510 0.110 0.000 1.580 392 N CA -1.554 51.553 53.050 0.095 0.000 0.809 392 N CB 1.499 40.050 38.487 0.106 0.000 1.178 392 N HN -0.074 nan 8.380 nan 0.000 0.499 393 P HA -0.057 nan 4.420 nan 0.000 0.217 393 P C -0.328 177.042 177.300 0.117 0.000 1.150 393 P CA 0.787 63.933 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 -1.126 119.481 120.500 0.178 0.000 3.531 394 R HA -0.155 4.185 4.340 -0.000 0.000 0.280 394 R C 0.177 176.652 176.300 0.292 0.000 1.130 394 R CA 0.167 56.446 56.100 0.299 0.000 0.757 394 R CB -1.874 28.549 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 0.180 0.000 2.502 395 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 395 E C 0.426 177.082 176.600 0.094 0.000 1.062 395 E CA 0.483 56.951 56.400 0.114 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 -0.780 119.674 120.400 0.089 0.000 2.349 396 D HA -0.022 4.618 4.640 -0.000 0.000 0.214 396 D C 0.372 176.540 176.300 -0.220 0.000 1.063 396 D CA 0.269 54.203 54.000 -0.110 0.000 0.847 396 D CB 0.037 40.680 40.800 -0.262 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 0.112 0.000 2.681 397 Y HA 0.372 4.921 4.550 -0.000 0.000 0.267 397 Y C 0.010 176.032 175.900 0.203 0.000 1.166 397 Y CA -0.535 57.664 58.100 0.166 0.000 1.209 397 Y CB 0.709 39.289 38.460 0.199 0.000 1.161 397 Y HN -0.192 nan 8.280 nan 0.000 0.534 398 L N 1.214 122.578 121.223 0.235 0.000 2.620 398 L HA 0.473 4.813 4.340 -0.000 0.000 0.261 398 L C -1.960 174.967 176.870 0.095 0.000 0.978 398 L CA -0.604 54.343 54.840 0.178 0.000 0.897 398 L CB 1.192 43.323 42.059 0.120 0.000 1.207 398 L HN -0.021 nan 8.230 nan 0.000 0.425 399 D N 4.258 124.743 120.400 0.142 0.000 2.446 399 D HA 0.419 5.059 4.640 -0.000 0.000 0.251 399 D C -0.691 175.656 176.300 0.078 0.000 1.137 399 D CA -0.111 53.946 54.000 0.095 0.000 0.890 399 D CB 1.924 42.904 40.800 0.300 0.000 1.071 399 D HN 0.172 nan 8.370 nan 0.000 0.528 400 V N 3.140 122.990 119.914 -0.107 0.000 2.385 400 V HA 0.245 4.365 4.120 -0.000 0.000 0.269 400 V C -0.550 175.508 176.094 -0.060 0.000 1.043 400 V CA -0.394 61.898 62.300 -0.014 0.000 0.906 400 V CB -0.297 31.497 31.823 -0.050 0.000 0.995 400 V HN 0.406 nan 8.190 nan 0.000 0.467 401 Y N 3.212 123.673 120.300 0.268 0.000 2.360 401 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 401 Y C 0.060 176.115 175.900 0.258 0.000 1.039 401 Y CA -0.838 57.440 58.100 0.297 0.000 1.109 401 Y CB 2.112 40.795 38.460 0.372 0.000 1.201 401 Y HN 0.344 nan 8.280 nan 0.000 0.458 402 V N 4.258 124.354 119.914 0.304 0.000 2.483 402 V HA 0.352 4.472 4.120 -0.000 0.000 0.297 402 V C -1.021 175.171 176.094 0.163 0.000 1.027 402 V CA -1.172 61.281 62.300 0.254 0.000 0.855 402 V CB 1.263 33.173 31.823 0.145 0.000 0.995 402 V HN 0.534 nan 8.190 nan 0.000 0.424 403 F N 2.375 122.449 119.950 0.207 0.000 2.361 403 F HA 0.551 5.078 4.527 -0.000 0.000 0.364 403 F C 1.227 177.108 175.800 0.136 0.000 1.120 403 F CA -0.455 57.652 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 4.570 113.505 108.800 0.225 0.000 2.778 404 G HA2 0.370 4.330 3.960 -0.000 0.000 0.287 404 G HA3 0.370 4.330 3.960 -0.000 0.000 0.287 404 G C 0.027 175.028 174.900 0.170 0.000 0.747 404 G CA -0.385 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 1.067 121.088 119.914 0.179 0.000 3.083 405 V HA 0.934 5.054 4.120 -0.000 0.000 0.306 405 V C 0.934 177.105 176.094 0.128 0.000 1.077 405 V CA -0.136 62.254 62.300 0.149 0.000 1.073 405 V CB 0.720 32.628 31.823 0.142 0.000 1.081 405 V HN 1.822 nan 8.190 nan 0.000 0.474 406 G N 2.856 111.725 108.800 0.116 0.000 2.733 406 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 406 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 406 G C -1.722 173.227 174.900 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 0.554 63.685 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 0.376 121.623 121.223 0.041 0.000 2.654 408 L HA 0.058 4.397 4.340 -0.000 0.000 0.271 408 L C 0.495 177.391 176.870 0.043 0.000 1.169 408 L CA 0.519 55.380 54.840 0.035 0.000 0.947 408 L CB -0.941 41.135 42.059 0.027 0.000 1.232 408 L HN -0.042 nan 8.230 nan 0.000 0.486 409 V N 5.595 125.535 119.914 0.044 0.000 2.588 409 V HA 0.383 4.503 4.120 -0.000 0.000 0.304 409 V C 0.238 176.357 176.094 0.042 0.000 1.042 409 V CA -0.959 61.372 62.300 0.053 0.000 0.877 409 V CB 2.164 34.027 31.823 0.066 0.000 0.996 409 V HN 0.807 nan 8.190 nan 0.000 0.425 410 N N 5.615 124.341 118.700 0.044 0.000 2.498 410 N HA 0.123 4.863 4.740 -0.000 0.000 0.277 410 N C 1.100 176.633 175.510 0.038 0.000 1.208 410 N CA 0.230 53.301 53.050 0.034 0.000 1.029 410 N CB 0.765 39.269 38.487 0.029 0.000 1.403 410 N HN 0.728 nan 8.380 nan 0.000 0.500 411 Q N 1.623 121.439 119.800 0.027 0.000 2.096 411 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 411 Q C 1.520 177.529 176.000 0.015 0.000 0.982 411 Q CA 1.224 57.039 55.803 0.020 0.000 0.850 411 Q CB -0.207 28.536 28.738 0.008 0.000 0.901 411 Q HN 0.508 nan 8.270 nan 0.000 0.422 412 V N 1.841 121.762 119.914 0.013 0.000 2.380 412 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 412 V C 2.143 178.248 176.094 0.019 0.000 1.063 412 V CA 2.079 64.385 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 -0.253 118.470 118.700 0.038 0.000 2.135 413 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 413 N C 1.985 177.528 175.510 0.054 0.000 1.027 413 N CA 1.116 54.204 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 1.729 122.331 120.570 0.052 0.000 2.091 414 I HA -0.334 3.836 4.170 -0.000 0.000 0.239 414 I C 1.789 177.914 176.117 0.015 0.000 1.061 414 I CA 1.202 62.529 61.300 0.045 0.000 1.317 414 I CB -0.607 37.421 38.000 0.046 0.000 1.031 414 I HN 0.263 nan 8.210 nan 0.000 0.401 415 N N 1.277 119.976 118.700 -0.002 0.000 2.091 415 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 415 N C 1.830 177.322 175.510 -0.030 0.000 1.021 415 N CA 1.785 54.820 53.050 -0.024 0.000 0.862 415 N CB -0.624 37.846 38.487 -0.029 0.000 1.018 415 N HN 0.432 nan 8.380 nan 0.000 0.429 416 A N 0.970 123.780 122.820 -0.017 0.000 1.940 416 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 416 A C 2.393 179.957 177.584 -0.034 0.000 1.176 416 A CA 1.050 53.073 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 -0.682 120.526 121.223 -0.024 0.000 2.044 417 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 417 L C 1.833 178.674 176.870 -0.047 0.000 1.075 417 L CA 0.313 55.134 54.840 -0.032 0.000 0.747 417 L CB -0.725 41.326 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 -0.000 0.000 0.235 418 A C 0.568 178.049 177.584 -0.171 0.000 1.065 418 A CA 0.182 52.171 52.037 -0.080 0.000 0.764 418 A CB 0.138 19.108 19.000 -0.050 0.000 1.002 418 A HN 0.196 nan 8.150 nan 0.000 0.502 419 S N 0.332 115.834 115.700 -0.330 0.000 2.549 419 S HA 0.162 4.632 4.470 -0.000 0.000 0.283 419 S C 0.352 174.695 174.600 -0.428 0.000 1.320 419 S CA -0.242 57.689 58.200 -0.449 0.000 1.058 419 S CB 0.044 62.817 63.200 -0.712 0.000 0.882 419 S HN 0.604 nan 8.310 nan 0.000 0.498 420 K N 4.598 124.848 120.400 -0.251 0.000 2.231 420 K HA 0.251 4.571 4.320 -0.000 0.000 0.255 420 K C -0.683 175.841 176.600 -0.126 0.000 1.108 420 K CA -0.277 55.916 56.287 -0.155 0.000 0.997 420 K CB -0.078 32.364 32.500 -0.098 0.000 1.549 420 K HN 0.519 nan 8.250 nan 0.000 0.419 421 K N 2.182 122.516 120.400 -0.110 0.000 2.203 421 K HA 0.242 4.562 4.320 -0.000 0.000 0.251 421 K C -1.017 175.595 176.600 0.019 0.000 0.944 421 K CA -1.063 55.207 56.287 -0.028 0.000 0.829 421 K CB 1.418 33.929 32.500 0.019 0.000 1.125 421 K HN 0.397 nan 8.250 nan 0.000 0.430 422 D N 1.634 122.041 120.400 0.013 0.000 2.382 422 D HA 0.053 4.693 4.640 -0.000 0.000 0.245 422 D C 0.299 176.612 176.300 0.021 0.000 1.120 422 D CA 0.395 54.401 54.000 0.011 0.000 0.890 422 D CB 0.333 41.135 40.800 0.004 0.000 1.201 422 D HN 0.580 nan 8.370 nan 0.000 0.433 423 N N 0.483 119.189 118.700 0.010 0.000 2.741 423 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 423 N C -0.622 174.897 175.510 0.015 0.000 1.112 423 N CA 0.669 53.723 53.050 0.007 0.000 0.750 423 N CB -0.409 38.084 38.487 0.010 0.000 1.119 423 N HN 0.572 nan 8.380 nan 0.000 0.561 424 E N 0.112 120.328 120.200 0.028 0.000 2.359 424 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 424 E C -0.689 175.892 176.600 -0.031 0.000 0.920 424 E CA -0.665 55.748 56.400 0.021 0.000 0.788 424 E CB 1.729 31.501 29.700 0.119 0.000 1.279 424 E HN 0.034 nan 8.360 nan 0.000 0.438 425 Q N 0.507 120.209 119.800 -0.163 0.000 2.333 425 Q HA 0.321 4.661 4.340 -0.000 0.000 0.267 425 Q C -1.185 174.554 176.000 -0.436 0.000 1.012 425 Q CA -0.034 55.615 55.803 -0.255 0.000 0.824 425 Q CB 1.022 29.600 28.738 -0.266 0.000 1.290 425 Q HN 0.647 nan 8.270 nan 0.000 0.449 426 H N 1.273 120.196 119.070 -0.244 0.000 3.540 426 H HA 0.362 4.918 4.556 -0.000 0.000 0.259 426 H C -0.940 174.258 175.328 -0.218 0.000 1.197 426 H CA 0.083 56.021 56.048 -0.183 0.000 1.136 426 H CB 1.353 30.899 29.762 -0.359 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 -0.385 0.000 2.326 427 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 427 V C -1.007 174.716 176.094 -0.618 0.000 1.015 427 V CA -0.471 61.622 62.300 -0.345 0.000 0.823 427 V CB 0.249 31.947 31.823 -0.209 0.000 1.009 427 V HN 0.127 nan 8.190 nan 0.000 0.436 428 F N 4.055 123.814 119.950 -0.318 0.000 2.508 428 F HA 0.683 5.210 4.527 -0.000 0.000 0.325 428 F C 0.559 176.255 175.800 -0.175 0.000 1.090 428 F CA -0.764 57.031 58.000 -0.342 0.000 0.945 428 F CB 1.905 40.472 39.000 -0.721 0.000 1.156 428 F HN 0.375 nan 8.300 nan 0.000 0.463 429 K N 0.430 120.895 120.400 0.108 0.000 2.312 429 K HA 0.656 4.976 4.320 -0.000 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 1.024 33.554 32.500 0.050 0.000 1.297 429 K HN 0.287 nan 8.250 nan 0.000 0.498 430 V N 0.787 120.768 119.914 0.111 0.000 2.231 430 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 430 V C 2.414 178.560 176.094 0.087 0.000 1.054 430 V CA 2.365 64.726 62.300 0.103 0.000 1.015 430 V CB -0.714 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 0.601 121.042 120.400 0.068 0.000 2.113 431 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 431 K C 1.627 178.265 176.600 0.063 0.000 1.047 431 K CA 1.859 58.179 56.287 0.055 0.000 0.928 431 K CB -0.737 31.787 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 -0.000 0.000 0.204 432 D C 1.726 178.067 176.300 0.069 0.000 0.982 432 D CA 0.906 54.969 54.000 0.105 0.000 0.857 432 D CB -0.080 40.840 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 0.073 0.000 2.163 433 M HA -0.140 4.340 4.480 -0.000 0.000 0.258 433 M C 0.611 176.925 176.300 0.023 0.000 1.071 433 M CA 1.215 56.536 55.300 0.036 0.000 1.093 433 M CB -1.231 31.395 32.600 0.043 0.000 1.285 433 M HN 0.054 nan 8.290 nan 0.000 0.420 434 E N 1.986 122.206 120.200 0.034 0.000 2.608 434 E HA -0.095 4.255 4.350 -0.000 0.000 0.259 434 E C -0.095 176.529 176.600 0.041 0.000 0.951 434 E CA 0.009 56.430 56.400 0.035 0.000 0.945 434 E CB -0.148 29.572 29.700 0.033 0.000 0.916 434 E HN 0.289 nan 8.360 nan 0.000 0.477 435 N N 2.251 120.982 118.700 0.053 0.000 2.753 435 N HA -0.208 4.532 4.740 -0.000 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 0.073 0.000 0.690 435 N CB -1.535 36.990 38.487 0.063 0.000 0.906 435 N HN 0.535 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 4.130 4.340 -0.000 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 0.220 0.000 0.893 436 L HN 0.289 nan 8.230 nan 0.000 0.433 437 E N 0.260 120.693 120.200 0.388 0.000 2.114 437 E HA -0.257 4.092 4.350 -0.000 0.000 0.199 437 E C 1.738 178.619 176.600 0.467 0.000 1.008 437 E CA 1.662 58.386 56.400 0.540 0.000 0.810 437 E CB -0.353 29.596 29.700 0.415 0.000 0.739 437 E HN 0.565 nan 8.360 nan 0.000 0.456 438 D N -0.010 120.555 120.400 0.275 0.000 2.144 438 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 438 D C 2.140 178.502 176.300 0.103 0.000 0.984 438 D CA 0.647 54.750 54.000 0.171 0.000 0.834 438 D CB -0.305 40.553 40.800 0.097 0.000 0.955 438 D HN 0.044 nan 8.370 nan 0.000 0.465 439 V N 0.584 120.491 119.914 -0.011 0.000 2.270 439 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 439 V C 2.100 178.074 176.094 -0.201 0.000 1.043 439 V CA 1.329 63.498 62.300 -0.217 0.000 1.014 439 V CB -0.727 30.758 31.823 -0.564 0.000 0.645 439 V HN 0.061 nan 8.190 nan 0.000 0.447 440 F N -0.842 119.148 119.950 0.066 0.000 2.202 440 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 440 F C 2.266 178.206 175.800 0.233 0.000 1.082 440 F CA 1.607 59.685 58.000 0.130 0.000 1.313 440 F CB -1.058 38.072 39.000 0.217 0.000 1.024 440 F HN 0.128 nan 8.300 nan 0.000 0.495 441 Y N 1.235 121.653 120.300 0.197 0.000 2.030 441 Y HA -0.364 4.186 4.550 -0.000 0.000 0.274 441 Y C 2.606 178.385 175.900 -0.202 0.000 1.153 441 Y CA 2.139 60.044 58.100 -0.324 0.000 1.115 441 Y CB -0.834 37.284 38.460 -0.570 0.000 0.969 441 Y HN -0.017 nan 8.280 nan 0.000 0.488 442 Q N 0.107 120.051 119.800 0.240 0.000 2.077 442 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 442 Q C 1.928 178.011 176.000 0.138 0.000 0.989 442 Q CA 2.433 58.355 55.803 0.198 0.000 0.853 442 Q CB -0.584 28.297 28.738 0.239 0.000 0.907 442 Q HN 0.760 nan 8.270 nan 0.000 0.418 443 M N -1.081 118.595 119.600 0.126 0.000 2.781 443 M HA 0.289 4.769 4.480 -0.000 0.000 0.208 443 M C -0.701 175.619 176.300 0.034 0.000 1.231 443 M CA 0.568 55.887 55.300 0.031 0.000 1.029 443 M CB 0.031 32.446 32.600 -0.308 0.000 1.753 443 M HN -0.098 nan 8.290 nan 0.000 0.448 444 I N 1.794 122.399 120.570 0.058 0.000 2.649 444 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 444 I C -1.682 174.441 176.117 0.009 0.000 1.222 444 I CA -0.766 60.557 61.300 0.039 0.000 1.046 444 I CB 2.298 40.382 38.000 0.141 0.000 1.272 444 I HN 0.272 nan 8.210 nan 0.000 0.425 445 D N 5.073 125.475 120.400 0.003 0.000 2.549 445 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 445 D C -0.553 175.774 176.300 0.046 0.000 1.153 445 D CA -0.695 53.318 54.000 0.021 0.000 0.861 445 D CB 1.311 42.123 40.800 0.020 0.000 1.207 445 D HN 0.457 nan 8.370 nan 0.000 0.543 446 E N 1.380 121.658 120.200 0.129 0.000 2.515 446 E HA 0.044 4.394 4.350 -0.000 0.000 0.315 446 E C 1.110 177.794 176.600 0.140 0.000 1.523 446 E CA -0.284 56.230 56.400 0.189 0.000 1.704 446 E CB 0.421 30.346 29.700 0.375 0.000 1.395 446 E HN 0.412 nan 8.360 nan 0.000 0.490 447 S N 1.495 117.246 115.700 0.085 0.000 2.369 447 S HA -0.280 4.190 4.470 -0.000 0.000 0.225 447 S C 1.636 176.284 174.600 0.079 0.000 1.043 447 S CA 1.670 59.912 58.200 0.070 0.000 1.074 447 S CB 0.099 63.324 63.200 0.041 0.000 0.962 447 S HN 0.303 nan 8.310 nan 0.000 0.433 448 Q N 0.006 119.853 119.800 0.077 0.000 2.247 448 Q HA 0.393 4.733 4.340 -0.000 0.000 0.204 448 Q C 0.912 176.970 176.000 0.096 0.000 0.872 448 Q CA 0.069 55.918 55.803 0.077 0.000 0.951 448 Q CB 0.646 29.417 28.738 0.055 0.000 1.099 448 Q HN 0.400 nan 8.270 nan 0.000 0.501 449 S N -0.596 115.185 115.700 0.134 0.000 2.593 449 S HA 0.227 4.697 4.470 -0.000 0.000 0.236 449 S C 1.025 175.702 174.600 0.129 0.000 0.991 449 S CA -0.185 58.105 58.200 0.151 0.000 0.963 449 S CB 0.274 63.666 63.200 0.320 0.000 0.865 449 S HN 0.321 nan 8.310 nan 0.000 0.488 450 L N 1.693 122.998 121.223 0.137 0.000 2.456 450 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 450 L C 2.222 179.167 176.870 0.125 0.000 1.148 450 L CA 1.040 55.969 54.840 0.148 0.000 0.825 450 L CB -0.372 41.785 42.059 0.163 0.000 0.937 450 L HN 0.426 nan 8.230 nan 0.000 0.450 451 S N -1.683 114.067 115.700 0.082 0.000 2.502 451 S HA 0.139 4.609 4.470 -0.000 0.000 0.215 451 S C 0.613 175.135 174.600 -0.131 0.000 1.009 451 S CA -0.458 57.755 58.200 0.022 0.000 0.908 451 S CB -0.042 63.233 63.200 0.125 0.000 0.801 451 S HN 0.037 nan 8.310 nan 0.000 0.505 452 L N 3.821 124.989 121.223 -0.093 0.000 2.499 452 L HA 0.206 4.545 4.340 -0.000 0.000 0.273 452 L C 1.020 177.786 176.870 -0.174 0.000 1.195 452 L CA -0.543 54.218 54.840 -0.131 0.000 0.882 452 L CB -0.318 41.653 42.059 -0.146 0.000 1.133 452 L HN 0.589 nan 8.230 nan 0.000 0.483 453 c N 0.991 119.494 118.600 -0.163 0.000 2.403 453 c HA 0.759 5.329 4.570 -0.000 0.000 0.361 453 c C 1.513 175.553 174.090 -0.083 0.000 1.274 453 c CA -0.373 55.872 56.329 -0.140 0.000 2.433 453 c CB 0.431 42.852 42.510 -0.148 0.000 2.323 453 c HN 1.228 nan 8.230 nan 0.000 0.614 454 G N 0.792 109.583 108.800 -0.015 0.000 2.233 454 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.270 454 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.270 454 G C -0.242 174.794 174.900 0.227 0.000 1.011 454 G CA 0.921 46.068 45.100 0.078 0.000 0.762 454 G HN 1.147 nan 8.290 nan 0.000 0.511 455 M N 0.353 120.015 119.600 0.103 0.000 2.238 455 M HA 0.652 5.132 4.480 -0.000 0.000 0.350 455 M C -0.602 175.719 176.300 0.034 0.000 1.138 455 M CA -0.588 54.693 55.300 -0.031 0.000 1.040 455 M CB 1.686 34.108 32.600 -0.297 0.000 1.639 455 M HN -0.043 nan 8.290 nan 0.000 0.451 456 V N 4.605 124.532 119.914 0.021 0.000 2.760 456 V HA 0.426 4.546 4.120 -0.000 0.000 0.309 456 V C -1.488 174.595 176.094 -0.020 0.000 1.077 456 V CA -0.637 61.687 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 2.377 123.787 121.300 0.182 0.000 2.365 457 W HA 0.510 5.170 4.660 -0.000 0.000 0.316 457 W C 1.045 177.700 176.519 0.225 0.000 1.164 457 W CA -0.289 57.229 57.345 0.288 0.000 1.204 457 W CB 1.279 31.026 29.460 0.478 0.000 1.213 457 W HN 0.526 nan 8.180 nan 0.000 0.539 458 E N 1.714 122.216 120.200 0.504 0.000 2.526 458 E HA -0.049 4.301 4.350 -0.000 0.000 0.208 458 E C 0.606 177.336 176.600 0.217 0.000 0.997 458 E CA -0.042 56.512 56.400 0.257 0.000 0.961 458 E CB -0.167 29.646 29.700 0.189 0.000 1.030 458 E HN 0.533 nan 8.360 nan 0.000 0.483 459 H N 0.549 119.803 119.070 0.308 0.000 3.038 459 H HA 0.096 4.652 4.556 -0.000 0.000 0.338 459 H C 0.990 176.360 175.328 0.069 0.000 1.041 459 H CA 0.397 56.557 56.048 0.187 0.000 1.394 459 H CB 1.100 30.962 29.762 0.167 0.000 1.357 459 H HN -0.063 nan 8.280 nan 0.000 0.600 460 R N 1.340 121.851 120.500 0.019 0.000 2.152 460 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 460 R C 1.010 177.231 176.300 -0.131 0.000 1.117 460 R CA 0.734 56.797 56.100 -0.062 0.000 0.981 460 R CB 0.163 30.460 30.300 -0.005 0.000 0.870 460 R HN 0.481 nan 8.270 nan 0.000 0.451 461 K N 0.424 120.784 120.400 -0.067 0.000 2.546 461 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 461 K C 0.067 176.516 176.600 -0.251 0.000 1.028 461 K CA 0.209 56.460 56.287 -0.061 0.000 1.150 461 K CB 0.594 33.110 32.500 0.026 0.000 0.876 461 K HN 0.186 nan 8.250 nan 0.000 0.508 462 G N 1.374 109.753 108.800 -0.701 0.000 2.332 462 G HA2 0.217 4.176 3.960 -0.000 0.000 0.310 462 G HA3 0.217 4.176 3.960 -0.000 0.000 0.310 462 G C 0.251 175.003 174.900 -0.247 0.000 1.123 462 G CA -0.382 44.267 45.100 -0.751 0.000 0.873 462 G HN 0.124 nan 8.290 nan 0.000 0.460 463 T N 0.316 114.858 114.554 -0.020 0.000 2.680 463 T HA 0.068 4.418 4.350 -0.000 0.000 0.314 463 T C 0.929 175.658 174.700 0.050 0.000 1.045 463 T CA 0.016 62.170 62.100 0.090 0.000 1.025 463 T CB 0.848 69.858 68.868 0.236 0.000 1.000 463 T HN 0.339 nan 8.240 nan 0.000 0.535 464 D N -0.017 120.361 120.400 -0.037 0.000 2.158 464 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 464 D C 1.657 177.764 176.300 -0.321 0.000 0.995 464 D CA 1.669 55.529 54.000 -0.233 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 -0.109 120.136 120.300 -0.091 0.000 2.561 465 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 465 Y C 2.254 178.048 175.900 -0.177 0.000 1.141 465 Y CA 0.481 58.479 58.100 -0.171 0.000 1.303 465 Y CB -0.143 38.229 38.460 -0.146 0.000 1.015 465 Y HN 0.198 nan 8.280 nan 0.000 0.547 466 H N -0.037 119.055 119.070 0.036 0.000 2.524 466 H HA 0.009 4.565 4.556 -0.000 0.000 0.282 466 H C 1.268 176.599 175.328 0.004 0.000 1.016 466 H CA 1.072 57.170 56.048 0.084 0.000 1.270 466 H CB 0.470 30.304 29.762 0.121 0.000 1.394 466 H HN 0.440 nan 8.280 nan 0.000 0.568 467 K N 0.125 120.486 120.400 -0.064 0.000 2.365 467 K HA 0.057 4.377 4.320 -0.000 0.000 0.195 467 K C 0.121 176.398 176.600 -0.537 0.000 1.079 467 K CA 0.281 56.446 56.287 -0.204 0.000 0.979 467 K CB 0.747 33.133 32.500 -0.190 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 -0.664 0.000 3.122 468 Q HA 0.173 4.513 4.340 -0.000 0.000 0.282 468 Q C -2.399 173.028 176.000 -0.954 0.000 0.947 468 Q CA -1.527 53.536 55.803 -1.232 0.000 0.812 468 Q CB 1.516 29.658 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 0.614 177.825 177.300 -0.148 0.000 1.150 469 P CA 0.995 63.937 63.100 -0.263 0.000 0.832 469 P CB -0.011 31.623 31.700 -0.110 0.000 0.787 470 W N -0.224 121.069 121.300 -0.011 0.000 2.402 470 W HA 0.035 4.695 4.660 -0.000 0.000 0.286 470 W C 0.728 177.275 176.519 0.046 0.000 1.221 470 W CA -0.048 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 -0.139 nan 8.180 nan 0.000 0.551 471 Q N 2.168 121.826 119.800 -0.236 0.000 2.304 471 Q HA 0.337 4.677 4.340 -0.000 0.000 0.301 471 Q C -0.543 175.543 176.000 0.144 0.000 1.063 471 Q CA 1.143 56.941 55.803 -0.007 0.000 0.947 471 Q CB 0.677 29.284 28.738 -0.217 0.000 1.201 471 Q HN 0.325 nan 8.270 nan 0.000 0.389 472 A N 4.211 127.132 122.820 0.169 0.000 2.486 472 A HA 0.566 4.886 4.320 -0.000 0.000 0.300 472 A C -1.374 176.297 177.584 0.145 0.000 1.048 472 A CA -0.806 51.325 52.037 0.156 0.000 0.696 472 A CB 1.514 20.597 19.000 0.139 0.000 1.278 472 A HN 0.625 nan 8.150 nan 0.000 0.405 473 K N 2.984 123.463 120.400 0.131 0.000 2.316 473 K HA 0.606 4.926 4.320 -0.000 0.000 0.267 473 K C -1.196 175.467 176.600 0.105 0.000 1.025 473 K CA -0.285 56.072 56.287 0.117 0.000 0.896 473 K CB 0.485 33.058 32.500 0.121 0.000 1.124 473 K HN 0.688 nan 8.250 nan 0.000 0.451 474 I N 2.090 122.727 120.570 0.112 0.000 2.437 474 I HA 0.238 4.408 4.170 -0.000 0.000 0.298 474 I C -0.138 176.046 176.117 0.112 0.000 0.984 474 I CA -0.655 60.725 61.300 0.133 0.000 1.214 474 I CB 2.026 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 4.113 119.889 115.700 0.127 0.000 2.526 475 S HA 0.595 5.065 4.470 -0.000 0.000 0.293 475 S C -0.647 174.033 174.600 0.133 0.000 1.092 475 S CA -0.631 57.639 58.200 0.116 0.000 0.980 475 S CB 2.349 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 4.063 124.041 119.914 0.106 0.000 2.349 476 V HA 0.467 4.587 4.120 -0.000 0.000 0.284 476 V C -0.641 175.513 176.094 0.099 0.000 1.014 476 V CA -0.456 61.913 62.300 0.114 0.000 0.826 476 V CB 0.803 32.683 31.823 0.094 0.000 1.009 476 V HN 0.776 nan 8.190 nan 0.000 0.431 477 I N 5.061 125.688 120.570 0.094 0.000 2.412 477 I HA 0.734 4.904 4.170 -0.000 0.000 0.296 477 I C 0.026 176.180 176.117 0.063 0.000 0.987 477 I CA -0.510 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 6.028 126.566 120.500 0.064 0.000 2.664 478 R HA 0.369 4.709 4.340 -0.000 0.000 0.260 478 R C -2.954 173.377 176.300 0.052 0.000 1.062 478 R CA -1.431 54.699 56.100 0.049 0.000 0.902 478 R CB 2.146 32.474 30.300 0.046 0.000 1.258 478 R HN 0.204 nan 8.270 nan 0.000 0.465 479 P HA -0.074 nan 4.420 nan 0.000 0.260 479 P C -0.266 177.060 177.300 0.044 0.000 1.172 479 P CA 0.987 64.113 63.100 0.044 0.000 0.760 479 P CB 0.766 32.490 31.700 0.040 0.000 0.773 480 S N 1.914 117.641 115.700 0.044 0.000 3.146 480 S HA -0.267 4.203 4.470 -0.000 0.000 0.285 480 S C 1.145 175.774 174.600 0.049 0.000 1.293 480 S CA 1.797 60.023 58.200 0.044 0.000 1.137 480 S CB -1.386 61.836 63.200 0.037 0.000 1.357 480 S HN 0.690 nan 8.310 nan 0.000 0.678 481 K N 0.194 120.627 120.400 0.055 0.000 2.374 481 K HA 0.366 4.685 4.320 -0.000 0.000 0.196 481 K C 1.872 178.518 176.600 0.076 0.000 1.023 481 K CA 0.876 57.197 56.287 0.057 0.000 1.103 481 K CB -0.476 32.057 32.500 0.054 0.000 0.848 481 K HN 0.675 nan 8.250 nan 0.000 0.528 482 G N 1.807 110.663 108.800 0.094 0.000 3.024 482 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.339 482 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.339 482 G C -0.228 174.806 174.900 0.224 0.000 1.200 482 G CA 1.028 46.216 45.100 0.146 0.000 0.968 482 G HN 0.676 nan 8.290 nan 0.000 0.593 483 H N 0.510 119.600 119.070 0.033 0.000 3.154 483 H HA 0.689 5.245 4.556 -0.000 0.000 0.330 483 H C -1.416 173.928 175.328 0.028 0.000 1.033 483 H CA -0.193 55.875 56.048 0.033 0.000 1.393 483 H CB 1.058 30.841 29.762 0.034 0.000 1.951 483 H HN 0.549 nan 8.280 nan 0.000 0.466 484 E N 2.254 122.381 120.200 -0.121 0.000 2.174 484 E HA 0.340 4.690 4.350 -0.000 0.000 0.282 484 E C -0.762 175.742 176.600 -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 0.548 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 5.045 4.470 -0.000 0.000 0.310 485 S C -0.952 173.608 174.600 -0.066 0.000 1.097 485 S CA -0.559 57.589 58.200 -0.087 0.000 1.103 485 S CB -0.042 63.120 63.200 -0.064 0.000 0.992 485 S HN 0.631 nan 8.310 nan 0.000 0.469 486 c N 4.805 123.378 118.600 -0.045 0.000 3.154 486 c HA 0.695 5.265 4.570 -0.000 0.000 0.312 486 c C -0.305 173.803 174.090 0.030 0.000 1.349 486 c CA -0.824 55.476 56.329 -0.047 0.000 1.518 486 c CB 1.790 44.196 42.510 -0.174 0.000 1.934 486 c HN 0.884 nan 8.230 nan 0.000 0.462 487 M N 0.655 120.288 119.600 0.055 0.000 2.755 487 M HA 0.770 5.250 4.480 -0.000 0.000 0.298 487 M C 0.050 176.424 176.300 0.125 0.000 1.251 487 M CA -0.161 55.199 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 0.917 nan 8.290 nan 0.000 0.473 488 G N -0.017 108.875 108.800 0.152 0.000 2.600 488 G HA2 0.797 4.757 3.960 -0.000 0.000 0.293 488 G HA3 0.797 4.757 3.960 -0.000 0.000 0.293 488 G C -2.405 172.619 174.900 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 -0.389 122.555 122.820 0.207 0.000 2.356 489 A HA 0.687 5.007 4.320 -0.000 0.000 0.310 489 A C -0.378 177.335 177.584 0.216 0.000 1.075 489 A CA -0.524 51.668 52.037 0.258 0.000 0.746 489 A CB 1.775 20.886 19.000 0.185 0.000 1.221 489 A HN 1.353 nan 8.150 nan 0.000 0.443 490 V N 4.006 124.069 119.914 0.248 0.000 2.425 490 V HA 0.067 4.187 4.120 -0.000 0.000 0.276 490 V C 1.498 177.699 176.094 0.177 0.000 1.017 490 V CA 0.852 63.280 62.300 0.214 0.000 1.062 490 V CB 0.385 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 1.993 122.013 119.914 0.177 0.000 3.307 491 V HA 0.332 4.452 4.120 -0.000 0.000 0.253 491 V C 0.737 176.923 176.094 0.153 0.000 1.149 491 V CA 0.979 63.357 62.300 0.130 0.000 1.112 491 V CB 0.506 32.407 31.823 0.131 0.000 0.777 491 V HN 0.706 nan 8.190 nan 0.000 0.464 492 S N -1.134 114.712 115.700 0.245 0.000 2.672 492 S HA 0.347 4.817 4.470 -0.000 0.000 0.271 492 S C 0.303 175.102 174.600 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 65.131 63.200 0.308 0.000 1.150 492 S HN 0.325 nan 8.310 nan 0.000 0.478 493 E N -0.176 120.197 120.200 0.287 0.000 2.209 493 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 493 E C 0.358 176.892 176.600 -0.110 0.000 0.993 493 E CA 1.516 57.922 56.400 0.010 0.000 0.819 493 E CB -0.041 29.592 29.700 -0.112 0.000 0.745 493 E HN 0.616 nan 8.360 nan 0.000 0.477 494 Y N -2.075 118.283 120.300 0.097 0.000 2.426 494 Y HA 0.206 4.756 4.550 -0.000 0.000 0.249 494 Y C 0.016 175.783 175.900 -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 -0.112 0.000 1.208 494 Y HN -0.148 nan 8.280 nan 0.000 0.519 495 F N -0.395 119.653 119.950 0.164 0.000 2.522 495 F HA 0.619 5.146 4.527 -0.000 0.000 0.324 495 F C -0.544 175.317 175.800 0.101 0.000 1.077 495 F CA -1.386 56.681 58.000 0.112 0.000 0.944 495 F CB 1.683 40.735 39.000 0.086 0.000 1.175 495 F HN -0.558 nan 8.300 nan 0.000 0.468 496 V N 3.964 124.037 119.914 0.264 0.000 2.525 496 V HA 0.332 4.452 4.120 -0.000 0.000 0.299 496 V C -1.027 175.192 176.094 0.209 0.000 1.034 496 V CA -0.742 61.678 62.300 0.202 0.000 0.863 496 V CB 1.849 33.754 31.823 0.136 0.000 0.999 496 V HN 0.507 nan 8.190 nan 0.000 0.423 497 L N 4.817 126.160 121.223 0.200 0.000 2.305 497 L HA 0.846 5.186 4.340 -0.000 0.000 0.281 497 L C 0.105 177.077 176.870 0.169 0.000 1.085 497 L CA 1.218 56.173 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 3.266 117.920 114.554 0.168 0.000 2.769 498 T HA 0.738 5.088 4.350 -0.000 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 0.944 69.938 68.868 0.211 0.000 1.392 498 T HN 0.949 nan 8.240 nan 0.000 0.500 499 A N 0.858 123.734 122.820 0.094 0.000 2.483 499 A HA 0.592 4.912 4.320 -0.000 0.000 0.238 499 A C 1.415 179.009 177.584 0.018 0.000 1.070 499 A CA 0.484 52.575 52.037 0.090 0.000 0.770 499 A CB -0.274 18.797 19.000 0.119 0.000 1.008 499 A HN 1.353 nan 8.150 nan 0.000 0.497 500 A N 0.830 123.652 122.820 0.003 0.000 2.238 500 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 500 A C 1.408 178.932 177.584 -0.101 0.000 1.179 500 A CA 0.905 52.831 52.037 -0.185 0.000 0.827 500 A CB -0.539 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 -2.802 116.293 119.070 0.041 0.000 2.539 501 H HA 0.113 4.669 4.556 -0.000 0.000 0.269 501 H C 1.094 176.454 175.328 0.053 0.000 0.980 501 H CA 0.764 56.929 56.048 0.195 0.000 1.152 501 H CB -0.624 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 0.622 118.868 118.600 -0.590 0.000 2.594 502 c HA 0.250 4.820 4.570 -0.000 0.000 0.265 502 c C 0.518 174.140 174.090 -0.781 0.000 1.351 502 c CA -0.088 55.752 56.329 -0.817 0.000 1.744 502 c CB -1.126 40.691 42.510 -1.155 0.000 1.890 502 c HN 0.336 nan 8.230 nan 0.000 0.551 503 F N -0.885 119.118 119.950 0.089 0.000 2.740 503 F HA 0.647 5.174 4.527 -0.000 0.000 0.357 503 F C 0.281 176.273 175.800 0.321 0.000 1.141 503 F CA -0.646 57.481 58.000 0.212 0.000 1.044 503 F CB 0.777 39.917 39.000 0.232 0.000 1.430 503 F HN -0.278 nan 8.300 nan 0.000 0.518 504 T N -1.391 113.460 114.554 0.495 0.000 2.802 504 T HA 0.305 4.655 4.350 -0.000 0.000 0.311 504 T C 0.227 174.958 174.700 0.052 0.000 1.405 504 T CA -0.527 61.669 62.100 0.160 0.000 1.016 504 T CB 1.308 70.241 68.868 0.109 0.000 1.352 504 T HN 0.314 nan 8.240 nan 0.000 0.498 505 V N 2.151 121.991 119.914 -0.123 0.000 2.546 505 V HA -0.114 4.006 4.120 -0.000 0.000 0.254 505 V C 2.035 178.132 176.094 0.005 0.000 1.076 505 V CA 2.324 64.573 62.300 -0.085 0.000 1.087 505 V CB -0.530 31.230 31.823 -0.104 0.000 0.674 505 V HN 0.786 nan 8.190 nan 0.000 0.470 506 D N -0.489 119.924 120.400 0.021 0.000 2.149 506 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 506 D C 0.701 177.027 176.300 0.043 0.000 0.972 506 D CA 0.706 54.724 54.000 0.031 0.000 0.835 506 D CB -0.388 40.431 40.800 0.031 0.000 0.966 506 D HN 0.420 nan 8.370 nan 0.000 0.476 507 D N 1.969 122.416 120.400 0.079 0.000 2.450 507 D HA 0.026 4.666 4.640 -0.000 0.000 0.247 507 D C 0.837 177.162 176.300 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 41.740 40.800 0.176 0.000 1.163 507 D HN -0.104 nan 8.370 nan 0.000 0.472 508 K N 2.075 122.449 120.400 -0.044 0.000 2.179 508 K HA 0.174 4.494 4.320 -0.000 0.000 0.238 508 K C 0.894 177.439 176.600 -0.091 0.000 1.033 508 K CA -0.481 55.753 56.287 -0.087 0.000 0.926 508 K CB 0.529 32.904 32.500 -0.208 0.000 1.151 508 K HN 0.178 nan 8.250 nan 0.000 0.492 509 E N 0.488 120.658 120.200 -0.050 0.000 2.478 509 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 509 E C 1.128 177.743 176.600 0.026 0.000 1.045 509 E CA 0.633 57.026 56.400 -0.012 0.000 0.868 509 E CB -0.042 29.669 29.700 0.018 0.000 0.885 509 E HN 0.499 nan 8.360 nan 0.000 0.505 510 H N -2.102 116.982 119.070 0.025 0.000 2.594 510 H HA 0.282 4.838 4.556 -0.000 0.000 0.279 510 H C 0.780 176.132 175.328 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 0.595 116.161 115.700 -0.223 0.000 2.540 511 S HA 0.284 4.754 4.470 -0.000 0.000 0.218 511 S C 0.494 175.107 174.600 0.022 0.000 0.977 511 S CA -0.519 57.619 58.200 -0.103 0.000 0.918 511 S CB -0.137 62.970 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 -0.000 0.000 0.286 512 I C -0.907 175.251 176.117 0.068 0.000 1.009 512 I CA -0.706 60.645 61.300 0.085 0.000 1.111 512 I CB 1.660 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 6.071 126.522 120.400 0.086 0.000 2.376 513 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 513 K C -0.859 175.783 176.600 0.071 0.000 0.939 513 K CA -0.782 55.545 56.287 0.066 0.000 0.809 513 K CB 2.823 35.361 32.500 0.062 0.000 1.121 513 K HN 0.244 nan 8.250 nan 0.000 0.425 514 V N 1.512 121.455 119.914 0.049 0.000 2.394 514 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 514 V C 0.216 176.328 176.094 0.031 0.000 1.031 514 V CA -0.631 61.701 62.300 0.053 0.000 0.881 514 V CB 1.603 33.451 31.823 0.042 0.000 0.982 514 V HN 0.737 nan 8.190 nan 0.000 0.451 515 S N 3.988 119.710 115.700 0.037 0.000 2.448 515 S HA 0.433 4.903 4.470 -0.000 0.000 0.320 515 S C 0.650 175.244 174.600 -0.011 0.000 1.071 515 S CA -0.614 57.588 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 4.676 124.555 119.914 -0.057 0.000 2.251 516 V HA 0.272 4.392 4.120 -0.000 0.000 0.233 516 V C 1.439 177.413 176.094 -0.199 0.000 1.041 516 V CA 1.360 63.621 62.300 -0.064 0.000 1.000 516 V CB -0.784 31.001 31.823 -0.063 0.000 0.643 516 V HN 0.892 nan 8.190 nan 0.000 0.460 517 G N -1.915 106.625 108.800 -0.432 0.000 2.744 517 G HA2 0.524 4.484 3.960 -0.000 0.000 0.286 517 G HA3 0.524 4.484 3.960 -0.000 0.000 0.286 517 G C 0.490 174.752 174.900 -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 -1.519 0.000 5.266 518 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.262 518 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.262 518 G C 0.516 175.270 174.900 -0.244 0.000 1.359 518 G CA 0.794 45.593 45.100 -0.502 0.000 0.955 518 G HN 0.960 nan 8.290 nan 0.000 0.754 519 E N 2.124 122.196 120.200 -0.212 0.000 2.694 519 E HA 0.307 4.657 4.350 -0.000 0.000 0.250 519 E C 0.702 177.245 176.600 -0.096 0.000 0.963 519 E CA 0.524 56.853 56.400 -0.118 0.000 0.949 519 E CB 0.409 30.047 29.700 -0.103 0.000 0.911 519 E HN 0.521 nan 8.360 nan 0.000 0.500 520 K N 3.482 123.851 120.400 -0.052 0.000 3.322 520 K HA -0.002 4.318 4.320 -0.000 0.000 0.291 520 K C 0.194 176.780 176.600 -0.024 0.000 1.131 520 K CA 0.013 56.283 56.287 -0.028 0.000 1.185 520 K CB -0.075 32.420 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 -0.036 0.000 2.332 521 R HA 0.075 4.415 4.340 -0.000 0.000 0.306 521 R C -1.091 175.195 176.300 -0.023 0.000 1.117 521 R CA -0.603 55.480 56.100 -0.028 0.000 1.108 521 R CB 0.266 30.544 30.300 -0.036 0.000 1.126 521 R HN 0.053 nan 8.270 nan 0.000 0.548 522 D N 3.409 123.804 120.400 -0.007 0.000 2.423 522 D HA 0.058 4.698 4.640 -0.000 0.000 0.238 522 D C -0.086 176.214 176.300 -0.001 0.000 1.142 522 D CA 0.468 54.470 54.000 0.004 0.000 0.884 522 D CB 0.899 41.712 40.800 0.021 0.000 1.199 522 D HN 0.421 nan 8.370 nan 0.000 0.438 523 L N 1.879 123.102 121.223 -0.000 0.000 2.313 523 L HA 0.287 4.627 4.340 -0.000 0.000 0.283 523 L C 0.624 177.496 176.870 0.003 0.000 1.013 523 L CA -0.784 54.052 54.840 -0.007 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 3.873 124.076 120.200 0.006 0.000 2.344 524 E HA 0.218 4.568 4.350 -0.000 0.000 0.270 524 E C -0.272 176.328 176.600 -0.001 0.000 1.021 524 E CA -0.212 56.197 56.400 0.015 0.000 0.887 524 E CB 1.384 31.098 29.700 0.023 0.000 0.997 524 E HN 0.447 nan 8.360 nan 0.000 0.429 525 I N -0.752 119.813 120.570 -0.008 0.000 2.797 525 I HA 0.216 4.386 4.170 -0.000 0.000 0.310 525 I C 0.935 177.030 176.117 -0.037 0.000 0.990 525 I CA -0.448 60.828 61.300 -0.040 0.000 1.228 525 I CB 1.327 39.281 38.000 -0.076 0.000 1.406 525 I HN 0.609 nan 8.210 nan 0.000 0.534 526 E N 2.247 122.408 120.200 -0.065 0.000 2.132 526 E HA 0.213 4.563 4.350 -0.000 0.000 0.193 526 E C -0.286 176.281 176.600 -0.056 0.000 0.951 526 E CA 0.310 56.675 56.400 -0.058 0.000 0.843 526 E CB 1.123 30.771 29.700 -0.086 0.000 0.807 526 E HN 0.537 nan 8.360 nan 0.000 0.467 527 V N 0.626 120.490 119.914 -0.083 0.000 3.108 527 V HA 0.257 4.377 4.120 -0.000 0.000 0.287 527 V C -1.751 174.291 176.094 -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 6.948 126.810 119.914 -0.087 0.000 2.350 528 V HA 0.445 4.565 4.120 -0.000 0.000 0.276 528 V C 0.116 176.179 176.094 -0.052 0.000 1.028 528 V CA -0.388 61.787 62.300 -0.209 0.000 0.860 528 V CB 1.264 32.812 31.823 -0.457 0.000 0.990 528 V HN 0.655 nan 8.190 nan 0.000 0.453 529 L N 6.196 127.434 121.223 0.025 0.000 2.328 529 L HA 0.418 4.758 4.340 -0.000 0.000 0.280 529 L C -0.229 176.810 176.870 0.281 0.000 1.111 529 L CA -0.066 54.918 54.840 0.241 0.000 0.909 529 L CB -0.281 41.972 42.059 0.323 0.000 1.277 529 L HN 0.441 nan 8.230 nan 0.000 0.433 530 F N 0.576 120.636 119.950 0.183 0.000 2.506 530 F HA 0.082 4.609 4.527 -0.000 0.000 0.351 530 F C 1.122 176.950 175.800 0.047 0.000 1.136 530 F CA -0.128 57.913 58.000 0.068 0.000 1.298 530 F CB 0.194 39.216 39.000 0.036 0.000 1.145 530 F HN 0.373 nan 8.300 nan 0.000 0.593 531 H N 4.488 123.457 119.070 -0.169 0.000 2.886 531 H HA 0.111 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 -1.239 54.502 56.048 -0.511 0.000 1.456 531 H CB 0.939 30.294 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 0.084 177.359 177.300 -0.042 0.000 1.148 532 P CA 1.657 64.689 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 -2.981 115.715 118.700 -0.007 0.000 2.336 533 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 533 N C 0.149 175.753 175.510 0.157 0.000 1.113 533 N CA -0.371 52.647 53.050 -0.054 0.000 0.858 533 N CB -0.197 37.876 38.487 -0.690 0.000 0.970 533 N HN 0.162 nan 8.380 nan 0.000 0.471 534 Y N 2.045 122.438 120.300 0.155 0.000 2.425 534 Y HA 0.190 4.740 4.550 -0.000 0.000 0.331 534 Y C -0.376 175.607 175.900 0.138 0.000 1.157 534 Y CA -0.007 58.197 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 6.393 124.718 118.700 -0.625 0.000 3.063 535 N HA 0.053 4.793 4.740 -0.000 0.000 0.242 535 N C -0.694 174.563 175.510 -0.421 0.000 1.146 535 N CA -0.406 52.386 53.050 -0.430 0.000 0.974 535 N CB 0.579 39.021 38.487 -0.076 0.000 1.584 535 N HN 0.908 nan 8.380 nan 0.000 0.636 536 I N 1.957 122.227 120.570 -0.499 0.000 3.419 536 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 536 I C 0.031 176.038 176.117 -0.183 0.000 1.268 536 I CA 0.451 61.544 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 0.340 118.950 118.700 -0.149 0.000 2.235 537 N HA 0.184 4.923 4.740 -0.000 0.000 0.231 537 N C 1.402 176.826 175.510 -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 0.384 109.092 108.800 -0.155 0.000 2.470 538 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 538 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 538 G C 0.799 175.507 174.900 -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 -0.022 120.179 120.400 -0.332 0.000 2.724 539 K HA 0.328 4.648 4.320 -0.000 0.000 0.198 539 K C 0.838 177.310 176.600 -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 0.459 120.758 120.400 -0.168 0.000 2.459 540 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 540 K C 0.369 176.898 176.600 -0.118 0.000 1.030 540 K CA 1.337 57.547 56.287 -0.129 0.000 1.026 540 K CB 0.497 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 -0.770 119.351 120.200 -0.131 0.000 2.256 541 E HA 0.266 4.616 4.350 -0.000 0.000 0.198 541 E C 1.705 178.234 176.600 -0.117 0.000 0.908 541 E CA 0.829 57.162 56.400 -0.111 0.000 0.915 541 E CB -0.209 29.429 29.700 -0.103 0.000 0.890 541 E HN 0.250 nan 8.360 nan 0.000 0.484 542 A N 0.338 123.072 122.820 -0.144 0.000 1.969 542 A HA 0.274 4.594 4.320 -0.000 0.000 0.218 542 A C 1.751 179.251 177.584 -0.141 0.000 1.169 542 A CA 1.458 53.411 52.037 -0.141 0.000 0.635 542 A CB -0.467 18.432 19.000 -0.167 0.000 0.810 542 A HN 0.368 nan 8.150 nan 0.000 0.445 543 G N -1.606 107.099 108.800 -0.160 0.000 2.147 543 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.128 543 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.128 543 G C -0.070 174.694 174.900 -0.227 0.000 1.026 543 G CA -0.088 44.914 45.100 -0.162 0.000 0.693 543 G HN 0.436 nan 8.290 nan 0.000 0.499 544 I N 0.995 121.409 120.570 -0.261 0.000 2.442 544 I HA 0.247 4.417 4.170 -0.000 0.000 0.279 544 I C -1.224 174.722 176.117 -0.285 0.000 1.081 544 I CA -2.302 58.782 61.300 -0.361 0.000 1.197 544 I CB 1.609 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 -0.145 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 -1.460 118.634 120.200 -0.178 0.000 2.241 546 E HA 0.369 4.719 4.350 -0.000 0.000 0.263 546 E C -1.318 175.173 176.600 -0.181 0.000 0.882 546 E CA -0.764 55.509 56.400 -0.211 0.000 0.769 546 E CB 1.531 31.125 29.700 -0.177 0.000 1.185 546 E HN -0.140 nan 8.360 nan 0.000 0.415 547 F N 2.651 122.338 119.950 -0.438 0.000 2.347 547 F HA 0.303 4.830 4.527 -0.000 0.000 0.366 547 F C -0.608 174.980 175.800 -0.353 0.000 1.107 547 F CA -0.899 56.910 58.000 -0.318 0.000 1.058 547 F CB 0.408 39.264 39.000 -0.240 0.000 1.236 547 F HN 0.482 nan 8.300 nan 0.000 0.456 548 Y N 1.655 121.679 120.300 -0.459 0.000 2.493 548 Y HA 0.108 4.658 4.550 -0.000 0.000 0.275 548 Y C 0.780 176.679 175.900 -0.001 0.000 1.183 548 Y CA -0.380 57.611 58.100 -0.182 0.000 1.258 548 Y CB -0.327 38.027 38.460 -0.177 0.000 1.108 548 Y HN 0.422 nan 8.280 nan 0.000 0.521 549 D N -0.190 119.951 120.400 -0.431 0.000 2.455 549 D HA -0.105 4.535 4.640 -0.000 0.000 0.241 549 D C -0.312 175.997 176.300 0.014 0.000 1.138 549 D CA 0.486 54.347 54.000 -0.233 0.000 0.877 549 D CB 0.191 40.619 40.800 -0.620 0.000 1.187 549 D HN 0.263 nan 8.370 nan 0.000 0.451 550 Y N 0.856 121.070 120.300 -0.143 0.000 3.078 550 Y HA -0.245 4.305 4.550 -0.000 0.000 0.202 550 Y C 0.323 176.190 175.900 -0.055 0.000 1.322 550 Y CA 0.502 58.445 58.100 -0.262 0.000 1.118 550 Y CB -1.190 37.100 38.460 -0.283 0.000 1.343 550 Y HN 0.396 nan 8.280 nan 0.000 0.499 551 D N 1.638 122.084 120.400 0.078 0.000 2.896 551 D HA 0.382 5.022 4.640 -0.000 0.000 0.240 551 D C -0.456 175.874 176.300 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 -1.162 118.696 119.914 -0.093 0.000 2.841 552 V HA 0.994 5.114 4.120 -0.000 0.000 0.310 552 V C -0.708 175.230 176.094 -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 0.217 nan 8.190 nan 0.000 0.425 553 A N 4.363 127.128 122.820 -0.091 0.000 2.465 553 A HA 0.786 5.106 4.320 -0.000 0.000 0.292 553 A C -1.133 176.566 177.584 0.192 0.000 1.041 553 A CA -0.565 51.444 52.037 -0.046 0.000 0.718 553 A CB 1.348 20.119 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 -0.000 0.000 0.271 554 L C -0.421 176.575 176.870 0.211 0.000 1.107 554 L CA -0.361 54.706 54.840 0.378 0.000 0.806 554 L CB 1.260 43.544 42.059 0.374 0.000 1.146 554 L HN 0.601 nan 8.230 nan 0.000 0.447 555 I N 2.948 123.624 120.570 0.176 0.000 2.448 555 I HA 0.221 4.391 4.170 -0.000 0.000 0.281 555 I C -0.200 175.818 176.117 -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 39.448 38.000 -0.109 0.000 1.236 555 I HN 0.509 nan 8.210 nan 0.000 0.452 556 K N 7.598 127.758 120.400 -0.400 0.000 2.310 556 K HA 0.408 4.728 4.320 -0.000 0.000 0.290 556 K C -0.376 176.038 176.600 -0.311 0.000 1.077 556 K CA -0.464 55.356 56.287 -0.778 0.000 0.922 556 K CB 0.563 32.487 32.500 -0.959 0.000 1.057 556 K HN 0.563 nan 8.250 nan 0.000 0.479 557 L N 4.133 125.253 121.223 -0.173 0.000 2.483 557 L HA 0.018 4.358 4.340 -0.000 0.000 0.275 557 L C 1.610 178.508 176.870 0.047 0.000 1.220 557 L CA 0.140 54.950 54.840 -0.051 0.000 0.833 557 L CB 0.407 42.430 42.059 -0.060 0.000 1.102 557 L HN 0.714 nan 8.230 nan 0.000 0.490 558 K N 0.838 121.252 120.400 0.023 0.000 2.296 558 K HA 0.009 4.329 4.320 -0.000 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 0.698 119.427 118.700 0.050 0.000 2.272 559 N HA 0.123 4.863 4.740 -0.000 0.000 0.305 559 N C -1.484 173.837 175.510 -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 1.342 121.447 120.400 -0.492 0.000 2.298 560 K HA 0.310 4.630 4.320 -0.000 0.000 0.280 560 K C -0.510 175.797 176.600 -0.488 0.000 1.032 560 K CA -0.265 55.480 56.287 -0.904 0.000 0.958 560 K CB 0.534 32.652 32.500 -0.637 0.000 0.978 560 K HN 0.436 nan 8.250 nan 0.000 0.472 561 L N 3.830 124.762 121.223 -0.485 0.000 2.334 561 L HA 0.286 4.626 4.340 -0.000 0.000 0.277 561 L C -0.261 176.366 176.870 -0.405 0.000 1.075 561 L CA -0.730 53.912 54.840 -0.330 0.000 0.804 561 L CB 1.207 43.132 42.059 -0.224 0.000 1.174 561 L HN 0.478 nan 8.230 nan 0.000 0.438 562 K N 2.812 123.043 120.400 -0.282 0.000 2.293 562 K HA 0.343 4.663 4.320 -0.000 0.000 0.267 562 K C -1.051 175.460 176.600 -0.149 0.000 1.010 562 K CA -0.305 55.820 56.287 -0.269 0.000 0.875 562 K CB 0.620 33.035 32.500 -0.143 0.000 1.106 562 K HN 0.184 nan 8.250 nan 0.000 0.450 563 Y N 0.895 121.188 120.300 -0.011 0.000 2.620 563 Y HA 0.244 4.794 4.550 -0.000 0.000 0.330 563 Y C 1.462 177.370 175.900 0.013 0.000 1.186 563 Y CA -0.004 58.099 58.100 0.006 0.000 1.467 563 Y CB 0.672 39.146 38.460 0.024 0.000 1.262 563 Y HN 0.651 nan 8.280 nan 0.000 0.550 564 G N 1.615 110.523 108.800 0.179 0.000 2.949 564 G HA2 0.271 4.231 3.960 -0.000 0.000 0.285 564 G HA3 0.271 4.231 3.960 -0.000 0.000 0.285 564 G C -0.391 174.558 174.900 0.082 0.000 1.395 564 G CA -0.750 44.411 45.100 0.102 0.000 0.901 564 G HN 0.474 nan 8.290 nan 0.000 0.519 565 Q N -0.750 119.083 119.800 0.056 0.000 2.291 565 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 565 Q C 2.423 178.329 176.000 -0.157 0.000 0.976 565 Q CA 2.151 57.981 55.803 0.045 0.000 0.875 565 Q CB 0.001 28.801 28.738 0.103 0.000 0.927 565 Q HN 0.656 nan 8.270 nan 0.000 0.450 566 T N -3.843 110.591 114.554 -0.201 0.000 3.054 566 T HA 0.335 4.685 4.350 -0.000 0.000 0.255 566 T C 0.463 175.124 174.700 -0.066 0.000 1.035 566 T CA -0.184 61.799 62.100 -0.195 0.000 0.941 566 T CB 0.340 69.081 68.868 -0.212 0.000 1.026 566 T HN 0.046 nan 8.240 nan 0.000 0.533 567 I N 2.136 122.702 120.570 -0.008 0.000 2.623 567 I HA 0.472 4.642 4.170 -0.000 0.000 0.275 567 I C -0.673 175.529 176.117 0.141 0.000 1.108 567 I CA -0.818 60.519 61.300 0.061 0.000 1.120 567 I CB 1.010 39.047 38.000 0.062 0.000 1.249 567 I HN -0.008 nan 8.210 nan 0.000 0.500 568 R N 4.697 125.246 120.500 0.081 0.000 2.807 568 R HA 0.632 4.972 4.340 -0.000 0.000 0.276 568 R C -2.875 173.431 176.300 0.010 0.000 0.979 568 R CA -1.934 54.149 56.100 -0.028 0.000 0.928 568 R CB 1.897 32.186 30.300 -0.019 0.000 1.191 568 R HN 0.079 nan 8.270 nan 0.000 0.471 569 P HA 0.178 nan 4.420 nan 0.000 0.274 569 P C -0.622 176.687 177.300 0.015 0.000 1.237 569 P CA -0.371 62.696 63.100 -0.055 0.000 0.793 569 P CB 0.752 32.330 31.700 -0.202 0.000 0.977 570 I N 0.865 121.433 120.570 -0.004 0.000 2.676 570 I HA 0.279 4.449 4.170 -0.000 0.000 0.309 570 I C -0.489 175.516 176.117 -0.186 0.000 0.990 570 I CA -0.942 60.238 61.300 -0.199 0.000 1.168 570 I CB 1.045 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 6.488 124.955 118.600 -0.221 0.000 2.514 571 c HA 0.407 4.977 4.570 -0.000 0.000 0.392 571 c C 0.190 174.166 174.090 -0.189 0.000 1.294 571 c CA -0.583 55.634 56.329 -0.188 0.000 1.957 571 c CB -0.466 41.944 42.510 -0.168 0.000 2.541 571 c HN 0.460 nan 8.230 nan 0.000 0.569 572 L N 4.962 126.066 121.223 -0.198 0.000 2.331 572 L HA 0.421 4.761 4.340 -0.000 0.000 0.275 572 L C -2.153 174.577 176.870 -0.232 0.000 1.022 572 L CA -1.739 52.988 54.840 -0.188 0.000 0.812 572 L CB 1.199 43.179 42.059 -0.132 0.000 1.257 572 L HN 0.320 nan 8.230 nan 0.000 0.435 573 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 -0.246 62.636 63.100 -0.364 0.000 0.777 573 P CB 0.317 31.366 31.700 -1.084 0.000 0.875 574 c N 0.544 119.115 118.600 -0.048 0.000 4.209 574 c HA -0.076 4.494 4.570 -0.000 0.000 0.305 574 c C 0.725 174.787 174.090 -0.046 0.000 1.339 574 c CA 1.127 57.490 56.329 0.056 0.000 2.062 574 c CB -3.177 39.434 42.510 0.167 0.000 1.307 574 c HN 0.859 nan 8.230 nan 0.000 0.706 575 T N -4.161 110.288 114.554 -0.175 0.000 2.883 575 T HA 0.548 4.898 4.350 -0.000 0.000 0.296 575 T C 0.710 175.306 174.700 -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 -0.567 0.000 1.191 575 T HN 0.331 nan 8.240 nan 0.000 0.508 576 E N 0.653 120.759 120.200 -0.158 0.000 2.153 576 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 576 E C 2.186 178.723 176.600 -0.104 0.000 0.988 576 E CA 1.171 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 0.843 109.558 108.800 -0.141 0.000 2.459 577 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 577 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 577 G C 1.648 176.475 174.900 -0.121 0.000 1.183 577 G CA 1.349 46.370 45.100 -0.131 0.000 0.776 577 G HN 0.191 nan 8.290 nan 0.000 0.552 578 T N 0.972 115.446 114.554 -0.133 0.000 2.833 578 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 578 T C 2.609 177.262 174.700 -0.077 0.000 1.054 578 T CA 1.703 63.739 62.100 -0.107 0.000 1.135 578 T CB -0.445 68.364 68.868 -0.099 0.000 0.869 578 T HN 0.300 nan 8.240 nan 0.000 0.466 579 T N 1.656 116.170 114.554 -0.068 0.000 2.622 579 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 579 T C 2.116 176.786 174.700 -0.051 0.000 1.047 579 T CA 1.121 63.192 62.100 -0.047 0.000 1.159 579 T CB -0.190 68.655 68.868 -0.038 0.000 0.863 579 T HN 0.296 nan 8.240 nan 0.000 0.422 580 R N 0.448 120.914 120.500 -0.056 0.000 2.189 580 R HA 0.159 4.499 4.340 -0.000 0.000 0.218 580 R C 2.643 178.903 176.300 -0.066 0.000 1.074 580 R CA 0.784 56.853 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 0.725 123.495 122.820 -0.083 0.000 1.898 581 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 581 A C 1.862 179.382 177.584 -0.105 0.000 1.181 581 A CA 1.028 53.003 52.037 -0.103 0.000 0.620 581 A CB -0.288 18.642 19.000 -0.115 0.000 0.819 581 A HN 0.219 nan 8.150 nan 0.000 0.442 582 L N -1.409 119.760 121.223 -0.090 0.000 2.599 582 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 582 L C 0.128 176.955 176.870 -0.072 0.000 1.141 582 L CA -0.043 54.744 54.840 -0.088 0.000 0.877 582 L CB -0.248 41.768 42.059 -0.071 0.000 1.009 582 L HN 0.387 nan 8.230 nan 0.000 0.447 583 R N 0.436 120.898 120.500 -0.062 0.000 3.209 583 R HA -0.139 4.201 4.340 -0.000 0.000 0.252 583 R C -0.926 175.352 176.300 -0.036 0.000 0.958 583 R CA 0.304 56.376 56.100 -0.046 0.000 0.651 583 R CB -2.211 28.061 30.300 -0.047 0.000 1.142 583 R HN 0.287 nan 8.270 nan 0.000 0.441 584 L N 0.813 122.016 121.223 -0.033 0.000 2.341 584 L HA 0.638 4.978 4.340 -0.000 0.000 0.267 584 L C -1.627 175.232 176.870 -0.019 0.000 1.009 584 L CA -2.612 52.213 54.840 -0.025 0.000 0.819 584 L CB 1.587 43.632 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 -0.117 nan 4.420 nan 0.000 0.226 586 P C 1.065 178.364 177.300 -0.002 0.000 1.146 586 P CA 1.441 64.538 63.100 -0.006 0.000 0.773 586 P CB -0.523 31.174 31.700 -0.004 0.000 0.772 587 T N -4.957 109.597 114.554 -0.001 0.000 3.169 587 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 587 T C 0.689 175.392 174.700 0.005 0.000 1.111 587 T CA -0.122 61.979 62.100 0.003 0.000 1.010 587 T CB -1.285 67.584 68.868 0.002 0.000 0.984 587 T HN -0.080 nan 8.240 nan 0.000 0.537 588 T N 4.384 118.940 114.554 0.003 0.000 2.831 588 T HA 0.266 4.616 4.350 -0.000 0.000 0.291 588 T C 0.831 175.541 174.700 0.016 0.000 0.981 588 T CA 0.172 62.276 62.100 0.006 0.000 1.174 588 T CB 0.413 69.281 68.868 0.000 0.000 0.929 588 T HN 0.686 nan 8.240 nan 0.000 0.532 589 T N 0.024 114.591 114.554 0.022 0.000 2.847 589 T HA 0.137 4.487 4.350 -0.000 0.000 0.279 589 T C 1.780 176.513 174.700 0.054 0.000 0.984 589 T CA -0.932 61.188 62.100 0.034 0.000 0.988 589 T CB 0.805 69.690 68.868 0.029 0.000 1.040 589 T HN 0.676 nan 8.240 nan 0.000 0.528 590 c N 0.558 119.203 118.600 0.076 0.000 2.419 590 c HA -0.024 4.546 4.570 -0.000 0.000 0.281 590 c C 2.728 176.890 174.090 0.120 0.000 1.336 590 c CA 1.371 57.775 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 0.522 120.358 119.800 0.061 0.000 2.123 591 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 591 Q C 2.220 178.211 176.000 -0.015 0.000 0.966 591 Q CA 1.755 57.565 55.803 0.012 0.000 0.845 591 Q CB -0.467 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 -0.487 119.317 119.800 0.005 0.000 2.170 592 Q HA -0.188 4.152 4.340 -0.000 0.000 0.203 592 Q C 2.096 178.093 176.000 -0.004 0.000 0.976 592 Q CA 1.494 57.294 55.803 -0.005 0.000 0.858 592 Q CB 0.021 28.760 28.738 0.002 0.000 0.907 592 Q HN 0.554 nan 8.270 nan 0.000 0.433 593 Q N 0.413 120.233 119.800 0.034 0.000 2.123 593 Q HA -0.122 4.218 4.340 -0.000 0.000 0.199 593 Q C 1.905 177.925 176.000 0.033 0.000 0.966 593 Q CA 0.837 56.684 55.803 0.074 0.000 0.845 593 Q CB -0.056 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 1.165 121.492 120.400 -0.122 0.000 2.209 594 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 594 K C 1.853 178.265 176.600 -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 0.220 120.323 120.200 -0.161 0.000 2.076 595 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 595 E C 1.742 178.298 176.600 -0.072 0.000 0.979 595 E CA 0.947 57.284 56.400 -0.105 0.000 0.807 595 E CB 0.125 29.784 29.700 -0.069 0.000 0.761 595 E HN 0.241 nan 8.360 nan 0.000 0.454 596 E N 0.452 120.620 120.200 -0.053 0.000 2.072 596 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 596 E C 2.010 178.590 176.600 -0.033 0.000 0.982 596 E CA 0.986 57.363 56.400 -0.038 0.000 0.803 596 E CB -0.063 29.619 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 0.093 4.432 4.340 -0.000 0.000 0.202 597 L C 0.812 177.682 176.870 -0.001 0.000 1.076 597 L CA 0.569 55.420 54.840 0.017 0.000 0.761 597 L CB 0.059 42.195 42.059 0.129 0.000 0.921 597 L HN 0.069 nan 8.230 nan 0.000 0.444 598 L N 1.631 122.819 121.223 -0.058 0.000 2.679 598 L HA 0.333 4.672 4.340 -0.000 0.000 0.238 598 L C -2.302 174.521 176.870 -0.078 0.000 1.330 598 L CA -1.600 53.202 54.840 -0.063 0.000 0.935 598 L CB 0.635 42.636 42.059 -0.098 0.000 1.243 598 L HN -0.078 nan 8.230 nan 0.000 0.484 599 P HA 0.051 nan 4.420 nan 0.000 0.272 599 P C -0.126 177.161 177.300 -0.022 0.000 1.230 599 P CA -0.364 62.713 63.100 -0.038 0.000 0.788 599 P CB 1.231 32.917 31.700 -0.022 0.000 0.949 600 A N 2.435 125.243 122.820 -0.020 0.000 2.906 600 A HA 0.278 4.598 4.320 -0.000 0.000 0.289 600 A C 0.723 178.308 177.584 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 -0.000 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 0.181 nan 8.270 nan 0.000 0.500 602 D N 1.377 121.814 120.400 0.061 0.000 2.411 602 D HA 0.438 5.078 4.640 -0.000 0.000 0.225 602 D C -0.565 175.850 176.300 0.192 0.000 1.156 602 D CA 0.026 54.097 54.000 0.118 0.000 0.874 602 D CB 0.452 41.297 40.800 0.075 0.000 1.034 602 D HN 0.331 nan 8.370 nan 0.000 0.502 603 I N 1.398 122.072 120.570 0.174 0.000 2.396 603 I HA 0.146 4.315 4.170 -0.000 0.000 0.292 603 I C 0.971 177.146 176.117 0.097 0.000 0.999 603 I CA -0.708 60.663 61.300 0.119 0.000 1.310 603 I CB 1.101 39.135 38.000 0.057 0.000 1.404 603 I HN -0.125 nan 8.210 nan 0.000 0.496 604 K N 5.353 125.756 120.400 0.005 0.000 2.338 604 K HA 0.501 4.821 4.320 -0.000 0.000 0.290 604 K C -0.275 176.232 176.600 -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 33.091 32.500 -0.151 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 5.189 4.320 -0.000 0.000 0.271 605 A C -1.416 176.122 177.584 -0.077 0.000 1.269 605 A CA -0.792 51.193 52.037 -0.087 0.000 0.828 605 A CB 0.854 19.826 19.000 -0.047 0.000 1.374 605 A HN 0.554 nan 8.150 nan 0.000 0.454 606 L N -2.962 118.261 121.223 -0.000 0.000 2.710 606 L HA 0.884 5.224 4.340 -0.000 0.000 0.260 606 L C -1.027 175.908 176.870 0.109 0.000 0.993 606 L CA -0.646 54.203 54.840 0.015 0.000 0.877 606 L CB 1.300 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 -0.458 119.468 119.950 -0.040 0.000 2.574 607 F HA 0.899 5.426 4.527 -0.000 0.000 0.313 607 F C -1.021 174.782 175.800 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 -0.059 0.000 1.219 607 F HN 0.370 nan 8.300 nan 0.000 0.445 608 V N 2.926 122.884 119.914 0.074 0.000 2.555 608 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 608 V C 0.093 176.206 176.094 0.031 0.000 1.044 608 V CA 0.099 62.381 62.300 -0.031 0.000 1.026 608 V CB 0.850 32.686 31.823 0.020 0.000 0.981 608 V HN 0.939 nan 8.190 nan 0.000 0.480 609 S N 3.650 119.305 115.700 -0.074 0.000 2.549 609 S HA 0.541 5.011 4.470 -0.000 0.000 0.280 609 S C -0.915 173.664 174.600 -0.035 0.000 1.109 609 S CA -0.824 57.387 58.200 0.017 0.000 0.905 609 S CB 1.783 65.025 63.200 0.071 0.000 1.081 609 S HN 0.796 nan 8.310 nan 0.000 0.477 610 E N 1.988 122.189 120.200 0.001 0.000 2.156 610 E HA 0.334 4.684 4.350 -0.000 0.000 0.279 610 E C -0.978 175.621 176.600 -0.002 0.000 0.965 610 E CA -0.382 56.008 56.400 -0.018 0.000 0.789 610 E CB 1.398 31.099 29.700 0.002 0.000 1.098 610 E HN 0.520 nan 8.360 nan 0.000 0.397 611 E N 3.115 123.303 120.200 -0.019 0.000 2.186 611 E HA 0.122 4.472 4.350 -0.000 0.000 0.255 611 E C -0.885 175.710 176.600 -0.007 0.000 0.881 611 E CA -0.346 56.049 56.400 -0.008 0.000 0.752 611 E CB 1.037 30.727 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 4.084 4.350 -0.000 0.000 0.240 612 E C -0.604 176.000 176.600 0.006 0.000 1.154 612 E CA 0.513 56.918 56.400 0.008 0.000 0.717 612 E CB -1.081 28.621 29.700 0.003 0.000 1.250 612 E HN 0.681 nan 8.360 nan 0.000 0.386 613 K N -4.202 116.205 120.400 0.012 0.000 3.281 613 K HA -0.241 4.079 4.320 -0.000 0.000 0.295 613 K C 0.026 176.621 176.600 -0.009 0.000 1.233 613 K CA 1.521 57.817 56.287 0.016 0.000 0.866 613 K CB -1.823 30.694 32.500 0.027 0.000 1.265 613 K HN 0.442 nan 8.250 nan 0.000 0.482 614 K N 1.253 121.632 120.400 -0.034 0.000 2.358 614 K HA 0.522 4.842 4.320 -0.000 0.000 0.260 614 K C -0.205 176.328 176.600 -0.113 0.000 0.956 614 K CA -0.586 55.658 56.287 -0.071 0.000 0.834 614 K CB 0.879 33.343 32.500 -0.058 0.000 1.102 614 K HN 0.223 nan 8.250 nan 0.000 0.431 615 L N 3.213 124.323 121.223 -0.188 0.000 2.536 615 L HA 0.173 4.513 4.340 -0.000 0.000 0.282 615 L C 0.939 177.686 176.870 -0.206 0.000 1.174 615 L CA -0.252 54.445 54.840 -0.238 0.000 0.989 615 L CB 0.477 42.287 42.059 -0.415 0.000 1.311 615 L HN 0.820 nan 8.230 nan 0.000 0.455 616 T N 3.629 118.085 114.554 -0.164 0.000 2.907 616 T HA 0.403 4.753 4.350 -0.000 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 -0.161 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 3.154 123.535 120.500 -0.198 0.000 2.357 617 R HA 0.406 4.746 4.340 -0.000 0.000 0.296 617 R C -0.376 175.747 176.300 -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 30.887 30.300 -0.164 0.000 1.025 617 R HN 0.359 nan 8.270 nan 0.000 0.469 618 K N 2.892 123.004 120.400 -0.481 0.000 2.507 618 K HA 0.128 4.448 4.320 -0.000 0.000 0.253 618 K C -0.642 175.713 176.600 -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 33.576 32.500 -1.141 0.000 1.127 618 K HN 0.603 nan 8.250 nan 0.000 0.437 619 E N 3.018 123.089 120.200 -0.215 0.000 2.259 619 E HA 0.271 4.620 4.350 -0.000 0.000 0.281 619 E C -0.270 176.262 176.600 -0.114 0.000 1.037 619 E CA -0.575 55.724 56.400 -0.168 0.000 0.854 619 E CB 0.749 30.339 29.700 -0.183 0.000 1.051 619 E HN 0.334 nan 8.360 nan 0.000 0.409 620 V N 1.828 121.676 119.914 -0.110 0.000 3.156 620 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 620 V C -1.350 174.602 176.094 -0.236 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 0.172 0.000 1.098 620 V HN 0.629 nan 8.190 nan 0.000 0.452 621 Y N -0.007 120.332 120.300 0.065 0.000 2.409 621 Y HA 0.715 5.265 4.550 -0.000 0.000 0.343 621 Y C 0.060 175.982 175.900 0.037 0.000 0.973 621 Y CA -0.731 57.401 58.100 0.054 0.000 1.064 621 Y CB 2.008 40.518 38.460 0.083 0.000 1.207 621 Y HN 0.518 nan 8.280 nan 0.000 0.452 622 I N 4.612 125.284 120.570 0.170 0.000 2.325 622 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 622 I C -0.349 175.825 176.117 0.095 0.000 1.019 622 I CA -1.007 60.356 61.300 0.105 0.000 1.302 622 I CB 0.757 38.803 38.000 0.076 0.000 1.401 622 I HN 0.378 nan 8.210 nan 0.000 0.485 623 K N 5.407 125.840 120.400 0.055 0.000 2.155 623 K HA 0.080 4.400 4.320 -0.000 0.000 0.240 623 K C 0.371 176.992 176.600 0.035 0.000 1.193 623 K CA 0.045 56.352 56.287 0.034 0.000 1.104 623 K CB -0.396 32.103 32.500 -0.001 0.000 1.558 623 K HN 0.440 nan 8.250 nan 0.000 0.313 624 N N 0.828 119.552 118.700 0.040 0.000 2.254 624 N HA 0.008 4.747 4.740 -0.000 0.000 0.190 624 N C 0.777 176.301 175.510 0.022 0.000 1.107 624 N CA 0.090 53.159 53.050 0.033 0.000 0.869 624 N CB 0.568 39.071 38.487 0.028 0.000 0.983 624 N HN 0.473 nan 8.380 nan 0.000 0.487 625 G N 0.192 109.005 108.800 0.020 0.000 2.783 625 G HA2 0.003 3.963 3.960 -0.000 0.000 0.182 625 G HA3 0.003 3.963 3.960 -0.000 0.000 0.182 625 G C 0.529 175.435 174.900 0.011 0.000 1.516 625 G CA 0.470 45.577 45.100 0.012 0.000 1.079 625 G HN 0.390 nan 8.290 nan 0.000 0.573 626 D N -0.773 119.630 120.400 0.005 0.000 2.224 626 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 626 D C 1.750 178.053 176.300 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 -0.000 0.000 0.193 627 K C 1.722 178.326 176.600 0.007 0.000 1.032 627 K CA 0.110 56.396 56.287 -0.003 0.000 1.004 627 K CB 0.045 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 -0.000 0.000 0.207 628 K C 1.998 178.623 176.600 0.043 0.000 1.048 628 K CA 1.585 57.890 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 -0.246 108.577 108.800 0.039 0.000 2.394 629 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 629 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 629 G C 1.421 176.351 174.900 0.050 0.000 1.176 629 G CA 0.769 45.898 45.100 0.048 0.000 0.786 629 G HN 0.307 nan 8.290 nan 0.000 0.533 630 S N -0.665 115.055 115.700 0.034 0.000 2.419 630 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 630 S C 2.196 176.819 174.600 0.038 0.000 1.016 630 S CA 1.056 59.277 58.200 0.035 0.000 0.974 630 S CB -0.365 62.845 63.200 0.016 0.000 0.786 630 S HN 0.549 nan 8.310 nan 0.000 0.492 631 c N 1.812 120.426 118.600 0.023 0.000 2.519 631 c HA 0.149 4.719 4.570 -0.000 0.000 0.281 631 c C 2.352 176.464 174.090 0.036 0.000 1.331 631 c CA 0.229 56.553 56.329 -0.009 0.000 1.725 631 c CB -0.951 41.524 42.510 -0.059 0.000 2.079 631 c HN 0.565 nan 8.230 nan 0.000 0.496 632 E N 0.015 120.280 120.200 0.107 0.000 2.216 632 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 632 E C 2.158 178.892 176.600 0.223 0.000 0.988 632 E CA 0.577 57.129 56.400 0.253 0.000 0.834 632 E CB -0.093 29.741 29.700 0.223 0.000 0.772 632 E HN 0.589 nan 8.360 nan 0.000 0.479 633 R N 0.866 121.455 120.500 0.148 0.000 2.316 633 R HA -0.049 4.291 4.340 -0.000 0.000 0.202 633 R C 0.627 177.035 176.300 0.180 0.000 1.029 633 R CA 0.495 56.673 56.100 0.130 0.000 1.018 633 R CB 0.149 30.504 30.300 0.092 0.000 0.888 633 R HN 0.091 nan 8.270 nan 0.000 0.471 634 D N 0.451 120.990 120.400 0.232 0.000 2.336 634 D HA 0.009 4.649 4.640 -0.000 0.000 0.229 634 D C 1.133 177.671 176.300 0.398 0.000 1.061 634 D CA 0.276 54.487 54.000 0.352 0.000 0.875 634 D CB 0.412 41.346 40.800 0.224 0.000 0.904 634 D HN 0.176 nan 8.370 nan 0.000 0.525 635 A N 0.346 123.344 122.820 0.297 0.000 2.235 635 A HA 0.025 4.345 4.320 -0.000 0.000 0.208 635 A C 2.133 179.825 177.584 0.181 0.000 1.172 635 A CA 1.006 53.193 52.037 0.251 0.000 0.786 635 A CB -0.524 18.568 19.000 0.153 0.000 0.804 635 A HN 0.257 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 0.037 4.377 4.340 -0.000 0.000 0.209 636 Q C 1.268 177.129 176.000 -0.231 0.000 0.961 636 Q CA 1.054 56.803 55.803 -0.090 0.000 0.945 636 Q CB -1.073 27.517 28.738 -0.245 0.000 1.012 636 Q HN 0.903 nan 8.270 nan 0.000 0.515 637 Y N -0.733 119.584 120.300 0.028 0.000 2.458 637 Y HA 0.564 5.114 4.550 -0.000 0.000 0.254 637 Y C 1.489 177.439 175.900 0.083 0.000 1.120 637 Y CA -0.495 57.593 58.100 -0.019 0.000 1.282 637 Y CB 0.358 38.689 38.460 -0.215 0.000 1.109 637 Y HN 0.408 nan 8.280 nan 0.000 0.526 638 A N 1.783 124.746 122.820 0.239 0.000 2.483 638 A HA 0.249 4.569 4.320 -0.000 0.000 0.238 638 A C -2.392 175.326 177.584 0.223 0.000 1.070 638 A CA -1.235 50.913 52.037 0.185 0.000 0.770 638 A CB -0.373 18.625 19.000 -0.004 0.000 1.008 638 A HN 0.000 nan 8.150 nan 0.000 0.497 639 P HA 0.242 nan 4.420 nan 0.000 0.263 639 P C 0.862 178.329 177.300 0.279 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 2.132 111.039 108.800 0.179 0.000 2.198 640 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 640 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 640 G C 0.051 174.967 174.900 0.027 0.000 1.025 640 G CA -0.098 45.056 45.100 0.090 0.000 0.769 640 G HN 0.529 nan 8.290 nan 0.000 0.507 641 Y N -0.670 119.619 120.300 -0.019 0.000 2.738 641 Y HA 0.265 4.815 4.550 -0.000 0.000 0.249 641 Y C 1.560 177.431 175.900 -0.047 0.000 1.153 641 Y CA -0.173 57.905 58.100 -0.035 0.000 1.165 641 Y CB 0.615 39.069 38.460 -0.010 0.000 1.235 641 Y HN 0.174 nan 8.280 nan 0.000 0.559 642 D N 0.528 120.954 120.400 0.044 0.000 2.146 642 D HA -0.028 4.612 4.640 -0.000 0.000 0.209 642 D C 0.546 176.820 176.300 -0.045 0.000 0.973 642 D CA 1.146 55.136 54.000 -0.016 0.000 0.860 642 D CB 0.064 40.852 40.800 -0.020 0.000 1.015 642 D HN 0.137 nan 8.370 nan 0.000 0.465 643 K N 1.202 121.569 120.400 -0.055 0.000 2.480 643 K HA 0.243 4.563 4.320 -0.000 0.000 0.241 643 K C -0.837 175.711 176.600 -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 2.434 122.304 119.914 -0.074 0.000 2.409 644 V HA 0.085 4.205 4.120 -0.000 0.000 0.291 644 V C 0.852 176.911 176.094 -0.058 0.000 1.020 644 V CA -0.871 61.380 62.300 -0.081 0.000 0.848 644 V CB 1.520 33.305 31.823 -0.064 0.000 0.990 644 V HN 0.497 nan 8.190 nan 0.000 0.430 645 K N 2.314 122.676 120.400 -0.064 0.000 2.001 645 K HA -0.139 4.181 4.320 -0.000 0.000 0.214 645 K C 0.437 177.017 176.600 -0.033 0.000 1.050 645 K CA 1.891 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 -1.777 118.607 120.400 -0.028 0.000 2.732 646 D HA 0.156 4.796 4.640 -0.000 0.000 0.229 646 D C -0.232 176.070 176.300 0.003 0.000 1.152 646 D CA -0.640 53.353 54.000 -0.010 0.000 0.854 646 D CB 1.623 42.419 40.800 -0.006 0.000 1.590 646 D HN -0.107 nan 8.370 nan 0.000 0.468 647 I N 2.019 122.599 120.570 0.016 0.000 2.876 647 I HA 0.045 4.215 4.170 -0.000 0.000 0.264 647 I C 1.679 177.810 176.117 0.023 0.000 1.204 647 I CA 0.859 62.176 61.300 0.029 0.000 1.485 647 I CB -0.097 37.926 38.000 0.039 0.000 1.103 647 I HN 0.413 nan 8.210 nan 0.000 0.446 648 S N -0.354 115.361 115.700 0.026 0.000 2.607 648 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 648 S C 1.791 176.420 174.600 0.047 0.000 0.969 648 S CA 0.751 58.971 58.200 0.033 0.000 0.927 648 S CB -0.282 62.941 63.200 0.038 0.000 0.772 648 S HN 0.507 nan 8.310 nan 0.000 0.533 649 E N 0.406 120.633 120.200 0.044 0.000 2.216 649 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 649 E C 1.764 178.459 176.600 0.159 0.000 0.973 649 E CA 1.125 57.568 56.400 0.071 0.000 0.851 649 E CB 0.157 29.861 29.700 0.007 0.000 0.804 649 E HN 0.427 nan 8.360 nan 0.000 0.477 650 V N -2.045 117.922 119.914 0.087 0.000 2.949 650 V HA 0.252 4.372 4.120 -0.000 0.000 0.245 650 V C 0.903 176.874 176.094 -0.205 0.000 1.086 650 V CA 0.125 62.471 62.300 0.077 0.000 1.097 650 V CB 0.496 32.429 31.823 0.184 0.000 0.762 650 V HN -0.035 nan 8.190 nan 0.000 0.470 651 V N 4.025 123.813 119.914 -0.209 0.000 2.218 651 V HA 0.341 4.461 4.120 -0.000 0.000 0.261 651 V C 0.786 176.786 176.094 -0.157 0.000 1.142 651 V CA 0.376 62.437 62.300 -0.398 0.000 0.965 651 V CB -0.374 31.290 31.823 -0.266 0.000 1.190 651 V HN 0.711 nan 8.190 nan 0.000 0.478 652 T N 1.926 116.415 114.554 -0.107 0.000 2.860 652 T HA 0.251 4.601 4.350 -0.000 0.000 0.299 652 T C -1.455 173.389 174.700 0.239 0.000 1.045 652 T CA -1.610 60.568 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 1.021 178.390 177.300 0.115 0.000 1.142 653 P CA 0.642 63.820 63.100 0.129 0.000 0.778 653 P CB 0.001 31.753 31.700 0.088 0.000 0.764 654 R N -1.640 118.906 120.500 0.078 0.000 2.340 654 R HA 0.148 4.488 4.340 -0.000 0.000 0.215 654 R C -0.173 175.991 176.300 -0.226 0.000 1.017 654 R CA 0.232 56.242 56.100 -0.149 0.000 1.111 654 R CB -1.045 28.956 30.300 -0.499 0.000 1.049 654 R HN 0.167 nan 8.270 nan 0.000 0.490 655 F N -0.796 119.162 119.950 0.014 0.000 2.540 655 F HA 0.433 4.960 4.527 -0.000 0.000 0.317 655 F C -0.037 175.833 175.800 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 2.225 123.605 121.223 0.262 0.000 2.334 656 L HA 0.628 4.968 4.340 -0.000 0.000 0.270 656 L C -0.769 176.166 176.870 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 1.269 119.868 118.600 -0.002 0.000 2.408 657 c HA 0.843 5.413 4.570 -0.000 0.000 0.321 657 c C 0.334 174.319 174.090 -0.174 0.000 1.245 657 c CA -0.060 56.109 56.329 -0.267 0.000 1.523 657 c CB 0.796 43.152 42.510 -0.256 0.000 2.178 657 c HN 0.952 nan 8.230 nan 0.000 0.488 658 T N 2.148 116.538 114.554 -0.274 0.000 2.669 658 T HA 0.931 5.281 4.350 -0.000 0.000 0.283 658 T C 0.285 174.877 174.700 -0.179 0.000 1.019 658 T CA 0.384 62.421 62.100 -0.105 0.000 1.039 658 T CB 0.809 69.712 68.868 0.059 0.000 1.374 658 T HN 2.491 nan 8.240 nan 0.000 0.523 659 G N -1.221 107.540 108.800 -0.065 0.000 2.782 659 G HA2 0.424 4.384 3.960 -0.000 0.000 0.228 659 G HA3 0.424 4.384 3.960 -0.000 0.000 0.228 659 G C 0.443 175.301 174.900 -0.070 0.000 1.372 659 G CA 0.303 45.356 45.100 -0.078 0.000 0.862 659 G HN 2.843 nan 8.290 nan 0.000 0.547 660 G N -3.260 105.494 108.800 -0.077 0.000 2.428 660 G HA2 0.368 4.327 3.960 -0.000 0.000 0.202 660 G HA3 0.368 4.327 3.960 -0.000 0.000 0.202 660 G C 0.788 175.662 174.900 -0.044 0.000 1.247 660 G CA 1.717 46.772 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 -0.000 0.000 0.309 661 V C 0.445 176.494 176.094 -0.075 0.000 1.481 661 V CA 1.135 63.408 62.300 -0.045 0.000 1.068 661 V CB 0.431 32.221 31.823 -0.055 0.000 0.935 661 V HN 1.872 nan 8.190 nan 0.000 0.453 662 S N 1.449 117.098 115.700 -0.085 0.000 2.547 662 S HA 0.697 5.167 4.470 -0.000 0.000 0.281 662 S C -2.267 172.247 174.600 -0.143 0.000 1.118 662 S CA -0.775 57.337 58.200 -0.147 0.000 0.947 662 S CB 2.374 65.498 63.200 -0.126 0.000 1.053 662 S HN 0.207 nan 8.310 nan 0.000 0.482 663 P HA 0.165 nan 4.420 nan 0.000 0.241 663 P C -0.755 176.093 177.300 -0.753 0.000 1.191 663 P CA 0.571 63.379 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 -1.074 119.092 120.300 -0.225 0.000 2.609 664 Y HA 0.570 5.120 4.550 -0.000 0.000 0.342 664 Y C 0.256 176.148 175.900 -0.014 0.000 1.058 664 Y CA -1.661 56.377 58.100 -0.104 0.000 1.055 664 Y CB 1.014 39.432 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 0.194 4.514 4.320 -0.000 0.000 0.294 665 A C -0.821 176.845 177.584 0.138 0.000 1.597 665 A CA -0.312 51.789 52.037 0.106 0.000 1.283 665 A CB -1.119 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 3.401 123.888 120.400 0.145 0.000 2.350 666 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 666 D C -2.113 174.258 176.300 0.117 0.000 1.119 666 D CA -0.984 53.114 54.000 0.164 0.000 0.886 666 D CB 0.626 41.534 40.800 0.181 0.000 1.195 666 D HN 0.271 nan 8.370 nan 0.000 0.437 667 P HA 0.103 nan 4.420 nan 0.000 0.271 667 P C -0.662 176.758 177.300 0.200 0.000 1.244 667 P CA -0.139 63.064 63.100 0.172 0.000 0.793 667 P CB 0.686 32.502 31.700 0.195 0.000 0.984 668 N N -1.680 117.121 118.700 0.168 0.000 2.328 668 N HA 0.483 5.223 4.740 -0.000 0.000 0.299 668 N C -0.801 174.731 175.510 0.037 0.000 1.179 668 N CA -0.761 52.308 53.050 0.031 0.000 0.793 668 N CB 1.210 39.681 38.487 -0.026 0.000 1.366 668 N HN 0.379 nan 8.380 nan 0.000 0.493 669 T N -1.665 112.762 114.554 -0.212 0.000 2.845 669 T HA 0.484 4.834 4.350 -0.000 0.000 0.288 669 T C 0.082 174.758 174.700 -0.040 0.000 0.980 669 T CA -0.585 61.389 62.100 -0.209 0.000 1.071 669 T CB 0.116 68.732 68.868 -0.420 0.000 0.941 669 T HN 0.390 nan 8.240 nan 0.000 0.487 670 c N 2.539 121.166 118.600 0.046 0.000 2.354 670 c HA 0.552 5.122 4.570 -0.000 0.000 0.381 670 c C 2.119 176.242 174.090 0.056 0.000 1.240 670 c CA -0.900 55.459 56.329 0.050 0.000 2.089 670 c CB 1.159 43.709 42.510 0.068 0.000 2.234 670 c HN 1.008 nan 8.230 nan 0.000 0.544 671 R N 1.171 121.705 120.500 0.057 0.000 2.103 671 R HA -0.045 4.295 4.340 -0.000 0.000 0.242 671 R C 2.209 178.543 176.300 0.057 0.000 1.142 671 R CA 1.851 57.991 56.100 0.067 0.000 0.960 671 R CB -1.205 29.129 30.300 0.056 0.000 0.858 671 R HN 0.978 nan 8.270 nan 0.000 0.439 672 G N 0.240 109.070 108.800 0.050 0.000 2.448 672 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 672 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 672 G C 0.668 175.608 174.900 0.067 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 0.264 120.719 120.400 0.090 0.000 2.363 673 D HA 0.047 4.687 4.640 -0.000 0.000 0.220 673 D C 1.459 177.823 176.300 0.107 0.000 0.994 673 D CA 0.149 54.223 54.000 0.123 0.000 0.890 673 D CB -0.025 40.881 40.800 0.177 0.000 0.906 673 D HN 0.192 nan 8.370 nan 0.000 0.530 674 S N -0.443 115.313 115.700 0.093 0.000 2.563 674 S HA 0.244 4.714 4.470 -0.000 0.000 0.294 674 S C 1.464 176.116 174.600 0.088 0.000 1.279 674 S CA 0.947 59.220 58.200 0.121 0.000 1.069 674 S CB 0.184 63.474 63.200 0.150 0.000 0.828 674 S HN 0.493 nan 8.310 nan 0.000 0.497 675 G N 3.124 112.001 108.800 0.127 0.000 2.175 675 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 675 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 675 G C 0.492 175.465 174.900 0.122 0.000 0.982 675 G CA 0.036 45.200 45.100 0.107 0.000 0.641 675 G HN 1.297 nan 8.290 nan 0.000 0.527 676 G N 0.437 109.316 108.800 0.130 0.000 2.491 676 G HA2 0.533 4.493 3.960 -0.000 0.000 0.242 676 G HA3 0.533 4.493 3.960 -0.000 0.000 0.242 676 G C -2.161 172.808 174.900 0.116 0.000 1.266 676 G CA -0.472 44.717 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 62.464 63.100 0.039 0.000 0.784 677 P CB 1.339 33.042 31.700 0.006 0.000 0.913 678 L N 5.116 126.289 121.223 -0.084 0.000 2.270 678 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 678 L C -0.778 176.045 176.870 -0.078 0.000 1.059 678 L CA -0.100 54.659 54.840 -0.135 0.000 0.839 678 L CB -0.710 41.176 42.059 -0.288 0.000 1.221 678 L HN 0.237 nan 8.230 nan 0.000 0.431 679 I N 4.759 125.308 120.570 -0.034 0.000 2.525 679 I HA 0.418 4.588 4.170 -0.000 0.000 0.301 679 I C -0.524 175.602 176.117 0.015 0.000 0.992 679 I CA -1.036 60.251 61.300 -0.022 0.000 1.162 679 I CB 1.922 39.930 38.000 0.013 0.000 1.332 679 I HN 0.121 nan 8.210 nan 0.000 0.458 680 V N 4.041 123.952 119.914 -0.004 0.000 2.284 680 V HA 0.123 4.243 4.120 -0.000 0.000 0.274 680 V C -0.193 175.864 176.094 -0.063 0.000 1.023 680 V CA -0.651 61.635 62.300 -0.022 0.000 0.808 680 V CB 0.482 32.286 31.823 -0.032 0.000 1.035 680 V HN 0.605 nan 8.190 nan 0.000 0.445 681 H N 6.091 125.053 119.070 -0.180 0.000 3.145 681 H HA 0.320 4.876 4.556 -0.000 0.000 0.263 681 H C -0.290 174.847 175.328 -0.318 0.000 1.057 681 H CA 0.642 56.453 56.048 -0.395 0.000 1.477 681 H CB 0.131 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 4.844 124.865 120.400 -0.630 0.000 2.513 682 K HA 0.260 4.579 4.320 -0.000 0.000 0.251 682 K C -0.103 176.203 176.600 -0.489 0.000 0.939 682 K CA -0.896 55.088 56.287 -0.505 0.000 0.793 682 K CB 2.110 34.447 32.500 -0.271 0.000 1.241 682 K HN 0.677 nan 8.250 nan 0.000 0.431 683 R N 0.686 120.926 120.500 -0.433 0.000 3.422 683 R HA -0.171 4.169 4.340 -0.000 0.000 0.267 683 R C -0.329 175.781 176.300 -0.317 0.000 1.074 683 R CA 0.887 56.804 56.100 -0.306 0.000 0.718 683 R CB -2.999 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 -2.384 113.065 115.700 -0.419 0.000 3.011 684 S HA -0.236 4.234 4.470 -0.000 0.000 0.278 684 S C 0.556 175.022 174.600 -0.222 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 -0.621 119.670 120.500 -0.348 0.000 2.782 685 R HA 0.746 5.086 4.340 -0.000 0.000 0.258 685 R C -0.721 175.328 176.300 -0.418 0.000 1.055 685 R CA -0.487 55.464 56.100 -0.248 0.000 1.065 685 R CB 0.377 30.564 30.300 -0.188 0.000 1.172 685 R HN 0.190 nan 8.270 nan 0.000 0.510 686 F N 1.400 121.293 119.950 -0.095 0.000 2.460 686 F HA 0.436 4.962 4.527 -0.000 0.000 0.341 686 F C -0.032 175.591 175.800 -0.295 0.000 1.130 686 F CA -0.767 57.123 58.000 -0.184 0.000 0.962 686 F CB 1.369 40.172 39.000 -0.329 0.000 1.171 686 F HN 0.025 nan 8.300 nan 0.000 0.436 687 I N 3.047 123.554 120.570 -0.105 0.000 2.406 687 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 687 I C -0.247 175.784 176.117 -0.144 0.000 0.999 687 I CA -0.799 60.417 61.300 -0.140 0.000 1.124 687 I CB 1.517 39.456 38.000 -0.101 0.000 1.289 687 I HN 0.634 nan 8.210 nan 0.000 0.441 688 Q N 4.685 124.370 119.800 -0.192 0.000 2.288 688 Q HA 0.377 4.717 4.340 -0.000 0.000 0.258 688 Q C 0.210 176.143 176.000 -0.112 0.000 0.957 688 Q CA -0.173 55.531 55.803 -0.165 0.000 0.919 688 Q CB 1.450 30.073 28.738 -0.193 0.000 1.185 688 Q HN 0.687 nan 8.270 nan 0.000 0.408 689 V N 0.321 120.199 119.914 -0.059 0.000 3.337 689 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 689 V C 0.099 176.205 176.094 0.020 0.000 1.505 689 V CA 0.346 62.647 62.300 0.003 0.000 1.072 689 V CB 0.536 32.436 31.823 0.128 0.000 0.929 689 V HN 0.639 nan 8.190 nan 0.000 0.455 690 G N -0.558 108.228 108.800 -0.023 0.000 2.646 690 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 690 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 690 G C -1.935 172.957 174.900 -0.013 0.000 1.445 690 G CA -0.420 44.675 45.100 -0.007 0.000 0.814 690 G HN 0.425 nan 8.290 nan 0.000 0.495 691 V N 1.556 121.494 119.914 0.039 0.000 2.524 691 V HA 0.319 4.439 4.120 -0.000 0.000 0.297 691 V C 0.370 176.562 176.094 0.163 0.000 1.035 691 V CA -0.597 61.746 62.300 0.071 0.000 0.867 691 V CB 1.422 33.282 31.823 0.063 0.000 1.004 691 V HN 0.739 nan 8.190 nan 0.000 0.426 692 I N 3.394 124.087 120.570 0.205 0.000 2.943 692 I HA -0.104 4.066 4.170 -0.000 0.000 0.296 692 I C 1.366 177.626 176.117 0.238 0.000 1.220 692 I CA 0.938 62.424 61.300 0.310 0.000 1.409 692 I CB 0.551 38.659 38.000 0.180 0.000 1.374 692 I HN 0.797 nan 8.210 nan 0.000 0.545 693 S N 7.721 123.527 115.700 0.178 0.000 2.655 693 S HA 0.216 4.686 4.470 -0.000 0.000 0.231 693 S C -0.217 174.451 174.600 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 0.643 5.303 4.660 -0.000 0.000 0.360 694 W C -0.655 175.728 176.519 -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 0.311 nan 8.180 nan 0.000 0.574 695 G N -0.261 108.456 108.800 -0.137 0.000 2.733 695 G HA2 0.523 4.483 3.960 -0.000 0.000 0.288 695 G HA3 0.523 4.483 3.960 -0.000 0.000 0.288 695 G C -0.780 174.091 174.900 -0.049 0.000 1.373 695 G CA -0.385 44.554 45.100 -0.269 0.000 0.895 695 G HN 0.397 nan 8.290 nan 0.000 0.479 696 V N -0.629 119.238 119.914 -0.080 0.000 2.426 696 V HA 0.129 4.249 4.120 -0.000 0.000 0.242 696 V C 0.743 176.899 176.094 0.104 0.000 1.036 696 V CA 0.789 63.141 62.300 0.087 0.000 1.044 696 V CB 0.109 32.005 31.823 0.122 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 0.396 4.516 4.120 -0.000 0.000 0.305 697 V C -0.582 175.512 176.094 -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 33.604 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 0.073 4.713 4.640 -0.000 0.000 0.229 698 D C 1.320 177.626 176.300 0.011 0.000 1.136 698 D CA 0.022 54.035 54.000 0.022 0.000 1.010 698 D CB 0.744 41.569 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 -0.009 0.000 2.688 699 V HA -0.187 3.933 4.120 -0.000 0.000 0.256 699 V C 1.699 177.798 176.094 0.008 0.000 1.084 699 V CA 0.873 63.166 62.300 -0.011 0.000 1.103 699 V CB -1.133 30.673 31.823 -0.027 0.000 0.688 699 V HN 0.563 nan 8.190 nan 0.000 0.480 700 c N 2.808 121.418 118.600 0.017 0.000 3.305 700 c HA 0.273 4.843 4.570 -0.000 0.000 0.566 700 c C 2.119 176.228 174.090 0.031 0.000 1.178 700 c CA -0.369 55.977 56.329 0.029 0.000 1.317 700 c CB -2.418 40.116 42.510 0.039 0.000 1.634 700 c HN 0.748 nan 8.230 nan 0.000 0.643 701 K N 2.263 122.679 120.400 0.027 0.000 2.220 701 K HA -0.249 4.070 4.320 -0.000 0.000 0.229 701 K C 0.231 176.852 176.600 0.035 0.000 0.800 701 K CA 1.971 58.276 56.287 0.030 0.000 0.965 701 K CB -0.222 32.294 32.500 0.027 0.000 0.560 701 K HN 0.791 nan 8.250 nan 0.000 0.785 702 N N -0.205 118.515 118.700 0.034 0.000 2.629 702 N HA 0.006 4.746 4.740 -0.000 0.000 0.277 702 N C -1.285 174.247 175.510 0.038 0.000 1.188 702 N CA 0.426 53.499 53.050 0.038 0.000 0.835 702 N CB 1.465 39.975 38.487 0.039 0.000 1.420 702 N HN 0.491 nan 8.380 nan 0.000 0.542 703 Q N 0.607 120.431 119.800 0.040 0.000 2.460 703 Q HA -0.224 4.116 4.340 -0.000 0.000 0.248 703 Q C -1.468 174.552 176.000 0.032 0.000 0.847 703 Q CA 1.709 57.536 55.803 0.039 0.000 1.214 703 Q CB -1.552 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 0.757 5.077 4.320 -0.000 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 4.689 4.340 -0.000 0.000 0.285 705 R C -0.820 175.491 176.300 0.018 0.000 1.207 705 R CA -0.637 55.478 56.100 0.025 0.000 1.091 705 R CB 1.320 31.642 30.300 0.038 0.000 1.263 705 R HN 0.797 nan 8.270 nan 0.000 0.403 706 Q N 1.572 121.378 119.800 0.011 0.000 2.654 706 Q HA 0.066 4.406 4.340 -0.000 0.000 0.320 706 Q C -0.850 175.150 176.000 -0.000 0.000 0.673 706 Q CA -0.137 55.669 55.803 0.006 0.000 1.087 706 Q CB 0.193 28.936 28.738 0.007 0.000 1.182 706 Q HN 0.636 nan 8.270 nan 0.000 0.473 707 K N -0.792 119.608 120.400 -0.001 0.000 9.746 707 K HA -0.265 4.055 4.320 -0.000 0.000 0.453 707 K C -0.670 175.925 176.600 -0.009 0.000 0.567 707 K CA 2.007 58.292 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 0.554 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 4.724 4.340 -0.000 0.000 0.252 708 Q C -1.105 174.869 176.000 -0.042 0.000 1.015 708 Q CA -0.500 55.289 55.803 -0.023 0.000 0.720 708 Q CB 1.933 30.661 28.738 -0.016 0.000 1.215 708 Q HN 0.324 nan 8.270 nan 0.000 0.500 709 V N -0.011 119.870 119.914 -0.055 0.000 2.432 709 V HA 0.562 4.682 4.120 -0.000 0.000 0.275 709 V C -2.223 173.784 176.094 -0.144 0.000 1.043 709 V CA -1.934 60.312 62.300 -0.090 0.000 0.925 709 V CB 0.143 31.922 31.823 -0.074 0.000 0.985 709 V HN 0.429 nan 8.190 nan 0.000 0.466 710 P HA 0.369 nan 4.420 nan 0.000 0.269 710 P C 0.740 177.804 177.300 -0.393 0.000 1.215 710 P CA 0.018 62.875 63.100 -0.405 0.000 0.780 710 P CB 1.018 32.214 31.700 -0.841 0.000 0.898 711 A N 1.405 124.037 122.820 -0.314 0.000 2.067 711 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 711 A C 1.341 178.802 177.584 -0.205 0.000 1.156 711 A CA 1.267 53.188 52.037 -0.194 0.000 0.683 711 A CB -1.316 17.624 19.000 -0.099 0.000 0.808 711 A HN 0.825 nan 8.150 nan 0.000 0.455 712 H N -2.253 116.673 119.070 -0.240 0.000 2.526 712 H HA 0.630 5.186 4.556 -0.000 0.000 0.274 712 H C 0.648 175.864 175.328 -0.186 0.000 0.999 712 H CA 0.102 55.988 56.048 -0.271 0.000 1.157 712 H CB -0.463 28.927 29.762 -0.621 0.000 1.407 712 H HN 0.249 nan 8.280 nan 0.000 0.568 713 A N 2.464 125.068 122.820 -0.359 0.000 2.785 713 A HA 0.193 4.513 4.320 -0.000 0.000 0.294 713 A C -0.015 177.441 177.584 -0.214 0.000 1.597 713 A CA -0.568 51.319 52.037 -0.250 0.000 1.283 713 A CB -0.368 18.486 19.000 -0.243 0.000 1.088 713 A HN 0.307 nan 8.150 nan 0.000 0.568 714 R N 1.704 122.060 120.500 -0.240 0.000 2.668 714 R HA 0.526 4.866 4.340 -0.000 0.000 0.279 714 R C -1.390 174.542 176.300 -0.614 0.000 0.976 714 R CA -0.745 55.100 56.100 -0.425 0.000 0.978 714 R CB 1.178 31.171 30.300 -0.511 0.000 1.133 714 R HN 0.506 nan 8.270 nan 0.000 0.484 715 D N 1.531 121.480 120.400 -0.751 0.000 2.375 715 D HA 0.390 5.030 4.640 -0.000 0.000 0.247 715 D C -0.665 174.884 176.300 -1.251 0.000 1.061 715 D CA -0.204 53.295 54.000 -0.835 0.000 0.834 715 D CB 1.207 41.677 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 -0.000 0.000 0.332 716 F C 0.688 176.017 175.800 -0.784 0.000 1.103 716 F CA -0.638 56.851 58.000 -0.851 0.000 0.979 716 F CB 1.512 40.002 39.000 -0.850 0.000 1.137 716 F HN 0.140 nan 8.300 nan 0.000 0.463 717 H N 3.465 122.584 119.070 0.083 0.000 2.690 717 H HA 0.396 4.952 4.556 -0.000 0.000 0.368 717 H C -0.611 174.641 175.328 -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 2.566 123.069 120.570 -0.112 0.000 2.421 718 I HA -0.076 4.094 4.170 -0.000 0.000 0.291 718 I C 0.963 177.006 176.117 -0.124 0.000 1.089 718 I CA -0.282 60.832 61.300 -0.310 0.000 1.354 718 I CB -0.785 37.039 38.000 -0.293 0.000 1.413 718 I HN 0.436 nan 8.210 nan 0.000 0.513 719 N N 6.474 125.115 118.700 -0.099 0.000 2.440 719 N HA 0.007 4.747 4.740 -0.000 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 3.085 124.315 121.223 0.011 0.000 2.465 720 L HA -0.064 4.276 4.340 -0.000 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 -0.543 119.434 119.950 0.046 0.000 2.512 721 F HA -0.071 4.456 4.527 -0.000 0.000 0.296 721 F C 2.462 178.298 175.800 0.061 0.000 1.110 721 F CA 0.558 58.594 58.000 0.059 0.000 1.446 721 F CB 0.027 39.052 39.000 0.043 0.000 1.092 721 F HN 0.075 nan 8.300 nan 0.000 0.554 722 Q N 0.024 119.936 119.800 0.188 0.000 2.424 722 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 722 Q C 1.438 177.519 176.000 0.135 0.000 0.933 722 Q CA 0.776 56.649 55.803 0.117 0.000 0.929 722 Q CB 0.359 29.099 28.738 0.003 0.000 1.037 722 Q HN 0.431 nan 8.270 nan 0.000 0.511 723 V N -2.655 117.340 119.914 0.135 0.000 2.988 723 V HA 0.148 4.268 4.120 -0.000 0.000 0.356 723 V C 1.418 177.665 176.094 0.255 0.000 1.380 723 V CA -0.167 62.272 62.300 0.231 0.000 1.184 723 V CB -0.317 31.586 31.823 0.134 0.000 1.204 723 V HN 0.008 nan 8.190 nan 0.000 0.530 724 L N 1.876 123.200 121.223 0.169 0.000 1.989 724 L HA 0.096 4.436 4.340 -0.000 0.000 0.211 724 L C -0.200 176.691 176.870 0.036 0.000 1.071 724 L CA 2.676 57.571 54.840 0.093 0.000 0.749 724 L CB -1.449 40.675 42.059 0.107 0.000 0.890 724 L HN 0.290 nan 8.230 nan 0.000 0.431 725 P HA -0.204 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 0.127 121.413 121.300 -0.024 0.000 2.444 726 W HA -0.030 4.630 4.660 -0.000 0.000 0.308 726 W C 1.937 178.369 176.519 -0.144 0.000 1.183 726 W CA 1.059 58.375 57.345 -0.048 0.000 1.340 726 W CB -0.899 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 1.022 122.211 121.223 -0.057 0.000 2.187 727 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 727 L C 2.442 178.833 176.870 -0.799 0.000 1.100 727 L CA 1.589 56.194 54.840 -0.391 0.000 0.765 727 L CB -0.829 41.180 42.059 -0.083 0.000 0.904 727 L HN -0.010 nan 8.230 nan 0.000 0.437 728 K N -0.046 119.876 120.400 -0.797 0.000 2.365 728 K HA -0.189 4.131 4.320 -0.000 0.000 0.199 728 K C 1.907 178.180 176.600 -0.545 0.000 1.045 728 K CA 0.850 56.578 56.287 -0.931 0.000 0.962 728 K CB 0.327 32.487 32.500 -0.567 0.000 0.759 728 K HN 0.151 nan 8.250 nan 0.000 0.469 729 E N 0.438 120.347 120.200 -0.486 0.000 2.099 729 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 729 E C 1.421 177.759 176.600 -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 0.296 120.307 120.400 -0.649 0.000 2.116 730 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 730 K C 1.398 177.621 176.600 -0.628 0.000 1.052 730 K CA 0.681 56.576 56.287 -0.653 0.000 0.952 730 K CB -0.121 31.815 32.500 -0.939 0.000 0.729 730 K HN 0.246 nan 8.250 nan 0.000 0.446 731 L N 2.873 123.732 121.223 -0.608 0.000 2.805 731 L HA 0.107 4.447 4.340 -0.000 0.000 0.237 731 L C 1.998 178.775 176.870 -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 -1.200 118.487 119.800 -0.187 0.000 2.172 732 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 732 Q C 0.430 176.418 176.000 -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 -0.117 0.000 0.918 732 Q HN 0.326 nan 8.270 nan 0.000 0.444 733 D N 0.537 120.921 120.400 -0.026 0.000 2.340 733 D HA 0.013 4.653 4.640 -0.000 0.000 0.217 733 D C 0.683 177.018 176.300 0.057 0.000 1.081 733 D CA 0.153 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 0.608 120.848 120.200 0.067 0.000 2.502 734 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 734 E C 0.107 176.770 176.600 0.106 0.000 1.062 734 E CA 0.097 56.570 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 0.370 120.817 120.400 0.078 0.000 2.697 735 D HA -0.204 4.436 4.640 -0.000 0.000 0.238 735 D C 0.498 176.821 176.300 0.039 0.000 1.152 735 D CA 0.261 54.297 54.000 0.060 0.000 0.666 735 D CB -1.159 39.677 40.800 0.060 0.000 1.037 735 D HN 0.248 nan 8.370 nan 0.000 0.423 736 L N -0.112 121.125 121.223 0.023 0.000 2.221 736 L HA 0.228 4.568 4.340 -0.000 0.000 0.202 736 L C 2.020 178.803 176.870 -0.145 0.000 1.074 736 L CA 0.750 55.537 54.840 -0.088 0.000 0.795 736 L CB -0.102 41.840 42.059 -0.194 0.000 0.960 736 L HN 0.458 nan 8.230 nan 0.000 0.458 737 G N 0.176 108.932 108.800 -0.073 0.000 2.288 737 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.205 737 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.205 737 G C -0.085 174.769 174.900 -0.076 0.000 1.071 737 G CA -0.729 44.340 45.100 -0.052 0.000 0.788 737 G HN 0.005 nan 8.290 nan 0.000 0.491 738 F N -0.195 119.735 119.950 -0.033 0.000 2.589 738 F HA 0.338 4.865 4.527 -0.000 0.000 0.352 738 F C 1.681 177.471 175.800 -0.016 0.000 1.168 738 F CA 0.100 58.080 58.000 -0.032 0.000 1.353 738 F CB 0.492 39.466 39.000 -0.044 0.000 1.116 738 F HN 0.060 nan 8.300 nan 0.000 0.608 739 L N 3.546 124.882 121.223 0.189 0.000 2.313 739 L HA 0.201 4.540 4.340 -0.000 0.000 0.282 739 L C 1.240 178.178 176.870 0.113 0.000 1.092 739 L CA -0.467 54.442 54.840 0.115 0.000 0.831 739 L CB 0.827 42.941 42.059 0.092 0.000 1.159 739 L HN 0.880 nan 8.230 nan 0.000 0.442 740 A N 3.323 126.190 122.820 0.078 0.000 2.076 740 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 740 A C 1.442 179.057 177.584 0.053 0.000 1.160 740 A CA 1.308 53.379 52.037 0.056 0.000 0.653 740 A CB -0.256 18.767 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 4.320 4.320 -0.000 0.000 0.244 741 A CA 0.000 52.072 52.037 0.059 0.000 0.836 741 A CB 0.000 19.034 19.000 0.056 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486