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 3jrx_1_A DATA FIRST_RESID 237 DATA SEQUENCE DLHRDFTVAS PAEFVTRFGG DRVIEKVLIA NNGIAAVKCM RSIRRWAYEM DATA SEQUENCE FRNERAIRFV VMVTPEDLKA NAEYIKMADH YVPVPGGPNN NNYANVELIV DATA SEQUENCE DIAKRIPVQA VWAGWGHASE NPKLPELLCK NGVAFLGPPS EAMWALGDKI DATA SEQUENCE ASTVVAQTLQ VPTLPWSGSG LTVEWXXXXX XQGKRISVPE DVYDKGCVKD DATA SEQUENCE VDEGLEAAER IGFPLMIKAS EGGGGKGIRK AESAEDFPIL FRQVQSEIPG DATA SEQUENCE SPIFLMKLAQ HARHLEVQIL ADQYGNAVSL FGRDCSIQRR HQKIVEEAPA DATA SEQUENCE TIAPLAIFEF MEQCAIRLAK TVGYVSAGTV EYLYSQDGSF HFLELNPRLQ DATA SEQUENCE VEHPCTEMIA DVNLPAAQLQ IAMGVPLHRL KDIRLLYGES PWGVTPISFE DATA SEQUENCE TPSNPPLARG HVIAARITSX XXXXXXXXXS GTVQELNFRS SKNVWGYFSV DATA SEQUENCE AXXXXXXXXX XSQFGHCFSW GENREEAISN MVVALKELSI RGDFRTTVEY DATA SEQUENCE LINLLETESF QNNDIDTGWL DY 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 237 D HA 0.000 nan 4.640 nan 0.000 0.175 237 D C 0.000 176.374 176.300 0.123 0.000 2.045 237 D CA 0.000 54.075 54.000 0.124 0.000 0.868 237 D CB 0.000 40.906 40.800 0.176 0.000 0.688 238 L N 3.314 124.614 121.223 0.128 0.000 2.728 238 L HA 0.212 4.538 4.340 -0.024 0.000 0.238 238 L C 1.893 178.831 176.870 0.115 0.000 1.143 238 L CA -0.239 54.663 54.840 0.102 0.000 0.937 238 L CB -0.190 41.922 42.059 0.088 0.000 1.225 238 L HN 0.540 nan 8.230 nan 0.000 0.507 239 H N 0.865 119.972 119.070 0.061 0.000 2.457 239 H HA -0.144 4.397 4.556 -0.024 0.000 0.297 239 H C 1.955 177.330 175.328 0.079 0.000 1.092 239 H CA 1.439 57.521 56.048 0.057 0.000 1.309 239 H CB -0.054 29.735 29.762 0.047 0.000 1.382 239 H HN 0.331 nan 8.280 nan 0.000 0.535 240 R N 0.702 120.986 120.500 -0.361 0.000 2.334 240 R HA 0.106 4.432 4.340 -0.024 0.000 0.220 240 R C -0.829 175.553 176.300 0.136 0.000 0.917 240 R CA -0.034 55.949 56.100 -0.196 0.000 1.073 240 R CB -0.057 30.087 30.300 -0.259 0.000 1.056 240 R HN 0.243 nan 8.270 nan 0.000 0.506 241 D N 2.098 122.566 120.400 0.113 0.000 2.383 241 D HA 0.022 4.648 4.640 -0.024 0.000 0.252 241 D C -0.865 175.396 176.300 -0.065 0.000 1.166 241 D CA 0.090 54.191 54.000 0.168 0.000 0.879 241 D CB 0.530 41.369 40.800 0.066 0.000 1.164 241 D HN 0.046 nan 8.370 nan 0.000 0.462 242 F N 2.584 122.159 119.950 -0.625 0.000 2.408 242 F HA 0.399 4.911 4.527 -0.024 0.000 0.344 242 F C 0.135 175.491 175.800 -0.741 0.000 1.112 242 F CA -0.509 56.920 58.000 -0.951 0.000 1.096 242 F CB 0.956 38.870 39.000 -1.809 0.000 1.129 242 F HN 0.221 nan 8.300 nan 0.000 0.486 243 T N 3.943 117.760 114.554 -1.227 0.000 2.906 243 T HA 0.775 5.110 4.350 -0.024 0.000 0.295 243 T C -0.700 173.390 174.700 -1.015 0.000 1.075 243 T CA -0.567 60.936 62.100 -0.995 0.000 1.005 243 T CB 1.259 69.775 68.868 -0.587 0.000 1.136 243 T HN 0.787 nan 8.240 nan 0.000 0.498 244 V N -1.341 118.188 119.914 -0.641 0.000 3.113 244 V HA 0.932 5.037 4.120 -0.024 0.000 0.316 244 V C 1.312 177.371 176.094 -0.059 0.000 1.125 244 V CA -0.563 61.560 62.300 -0.295 0.000 1.026 244 V CB 0.962 32.759 31.823 -0.044 0.000 1.080 244 V HN 1.197 nan 8.190 nan 0.000 0.444 245 A N 0.999 123.835 122.820 0.027 0.000 2.016 245 A HA 0.466 4.772 4.320 -0.024 0.000 0.217 245 A C 1.155 178.802 177.584 0.105 0.000 1.162 245 A CA 1.270 53.338 52.037 0.051 0.000 0.662 245 A CB -0.596 18.414 19.000 0.017 0.000 0.812 245 A HN 1.956 nan 8.150 nan 0.000 0.450 246 S N -4.206 111.607 115.700 0.188 0.000 2.615 246 S HA 0.463 4.919 4.470 -0.024 0.000 0.268 246 S C -2.847 171.830 174.600 0.128 0.000 1.146 246 S CA -0.605 57.598 58.200 0.006 0.000 0.818 246 S CB 0.814 63.988 63.200 -0.043 0.000 1.111 246 S HN -0.136 nan 8.310 nan 0.000 0.465 247 P HA -0.043 nan 4.420 nan 0.000 0.216 247 P C 1.585 179.060 177.300 0.291 0.000 1.150 247 P CA 2.349 65.514 63.100 0.108 0.000 0.843 247 P CB -0.194 31.451 31.700 -0.092 0.000 0.787 248 A N -0.153 122.763 122.820 0.160 0.000 1.898 248 A HA -0.236 4.069 4.320 -0.024 0.000 0.216 248 A C 2.318 180.018 177.584 0.192 0.000 1.181 248 A CA 1.798 53.927 52.037 0.153 0.000 0.620 248 A CB -1.247 17.803 19.000 0.083 0.000 0.819 248 A HN 0.240 nan 8.150 nan 0.000 0.442 249 E N -1.313 119.014 120.200 0.212 0.000 2.150 249 E HA -0.173 4.162 4.350 -0.024 0.000 0.193 249 E C 1.729 178.516 176.600 0.312 0.000 0.985 249 E CA 1.086 57.611 56.400 0.209 0.000 0.814 249 E CB -0.271 29.532 29.700 0.172 0.000 0.752 249 E HN 0.626 nan 8.360 nan 0.000 0.466 250 F N 0.716 120.854 119.950 0.314 0.000 2.102 250 F HA -0.186 4.327 4.527 -0.024 0.000 0.298 250 F C 1.919 177.985 175.800 0.444 0.000 1.105 250 F CA 1.381 59.632 58.000 0.418 0.000 1.239 250 F CB -0.235 39.002 39.000 0.395 0.000 0.991 250 F HN -0.114 nan 8.300 nan 0.000 0.474 251 V N 0.730 120.770 119.914 0.210 0.000 2.343 251 V HA -0.316 3.789 4.120 -0.024 0.000 0.247 251 V C 2.507 178.620 176.094 0.032 0.000 1.051 251 V CA 2.401 64.739 62.300 0.064 0.000 1.036 251 V CB -1.402 30.537 31.823 0.193 0.000 0.654 251 V HN 0.640 nan 8.190 nan 0.000 0.451 252 T N -1.526 113.075 114.554 0.079 0.000 2.896 252 T HA -0.114 4.222 4.350 -0.024 0.000 0.263 252 T C 1.848 176.553 174.700 0.010 0.000 1.050 252 T CA 0.668 62.797 62.100 0.047 0.000 1.140 252 T CB -0.274 68.628 68.868 0.056 0.000 0.877 252 T HN 0.340 nan 8.240 nan 0.000 0.457 253 R N -0.142 120.377 120.500 0.032 0.000 2.313 253 R HA 0.230 4.556 4.340 -0.024 0.000 0.199 253 R C 0.160 176.254 176.300 -0.343 0.000 0.958 253 R CA 0.364 56.409 56.100 -0.092 0.000 1.047 253 R CB -0.102 30.200 30.300 0.003 0.000 0.955 253 R HN 0.436 nan 8.270 nan 0.000 0.481 254 F N -0.772 119.048 119.950 -0.216 0.000 2.775 254 F HA 0.269 4.781 4.527 -0.024 0.000 0.313 254 F C 1.132 176.817 175.800 -0.192 0.000 1.121 254 F CA -0.022 57.823 58.000 -0.259 0.000 1.206 254 F CB 1.259 39.928 39.000 -0.552 0.000 1.052 254 F HN 0.084 nan 8.300 nan 0.000 0.524 255 G N 0.900 109.689 108.800 -0.018 0.000 2.176 255 G HA2 -0.186 3.760 3.960 -0.024 0.000 0.252 255 G HA3 -0.186 3.760 3.960 -0.024 0.000 0.252 255 G C 0.658 175.585 174.900 0.045 0.000 1.024 255 G CA -0.021 45.075 45.100 -0.007 0.000 0.755 255 G HN 0.746 nan 8.290 nan 0.000 0.507 256 G N -0.732 108.098 108.800 0.051 0.000 2.535 256 G HA2 0.600 4.546 3.960 -0.024 0.000 0.303 256 G HA3 0.600 4.546 3.960 -0.024 0.000 0.303 256 G C 0.459 175.425 174.900 0.110 0.000 1.237 256 G CA 0.468 45.631 45.100 0.105 0.000 0.986 256 G HN 0.568 nan 8.290 nan 0.000 0.494 257 D N -2.869 117.606 120.400 0.124 0.000 2.486 257 D HA 0.095 4.720 4.640 -0.024 0.000 0.243 257 D C 0.787 177.140 176.300 0.089 0.000 1.146 257 D CA -0.263 53.799 54.000 0.103 0.000 0.821 257 D CB 0.526 41.394 40.800 0.114 0.000 1.201 257 D HN 0.335 nan 8.370 nan 0.000 0.525 258 R N 0.943 121.501 120.500 0.097 0.000 2.575 258 R HA 0.589 4.914 4.340 -0.024 0.000 0.293 258 R C -1.673 174.690 176.300 0.106 0.000 0.983 258 R CA -0.744 55.407 56.100 0.085 0.000 0.887 258 R CB 2.183 32.524 30.300 0.069 0.000 1.184 258 R HN -0.097 nan 8.270 nan 0.000 0.445 259 V N 6.390 126.359 119.914 0.092 0.000 2.432 259 V HA 0.393 4.499 4.120 -0.024 0.000 0.275 259 V C 0.175 176.310 176.094 0.068 0.000 1.043 259 V CA -0.319 62.042 62.300 0.102 0.000 0.925 259 V CB 1.411 33.283 31.823 0.082 0.000 0.985 259 V HN 0.635 nan 8.190 nan 0.000 0.466 260 I N 5.094 125.707 120.570 0.073 0.000 2.439 260 I HA 0.372 4.527 4.170 -0.024 0.000 0.283 260 I C 0.698 176.800 176.117 -0.024 0.000 1.023 260 I CA -0.141 61.172 61.300 0.022 0.000 1.100 260 I CB 1.616 39.633 38.000 0.028 0.000 1.238 260 I HN 0.821 nan 8.210 nan 0.000 0.445 261 E N 4.235 124.394 120.200 -0.069 0.000 2.572 261 E HA 0.184 4.520 4.350 -0.024 0.000 0.220 261 E C 0.151 176.643 176.600 -0.180 0.000 0.945 261 E CA -0.402 55.918 56.400 -0.133 0.000 1.070 261 E CB 0.897 30.525 29.700 -0.120 0.000 1.090 261 E HN 0.333 nan 8.360 nan 0.000 0.506 262 K N 1.428 121.739 120.400 -0.149 0.000 2.541 262 K HA 0.396 4.702 4.320 -0.024 0.000 0.250 262 K C -1.763 174.757 176.600 -0.134 0.000 0.950 262 K CA -0.623 55.568 56.287 -0.161 0.000 0.805 262 K CB 2.243 34.690 32.500 -0.088 0.000 1.166 262 K HN -0.040 nan 8.250 nan 0.000 0.430 263 V N 4.823 124.619 119.914 -0.197 0.000 2.604 263 V HA 0.455 4.561 4.120 -0.024 0.000 0.305 263 V C -0.982 175.181 176.094 0.115 0.000 1.043 263 V CA -1.045 61.231 62.300 -0.040 0.000 0.888 263 V CB 1.504 33.301 31.823 -0.044 0.000 0.995 263 V HN 0.719 nan 8.190 nan 0.000 0.429 264 L N 6.243 127.562 121.223 0.160 0.000 2.264 264 L HA 0.585 4.911 4.340 -0.024 0.000 0.289 264 L C -0.412 176.620 176.870 0.271 0.000 1.044 264 L CA 0.296 55.255 54.840 0.199 0.000 0.807 264 L CB 0.723 42.872 42.059 0.149 0.000 1.192 264 L HN 0.537 nan 8.230 nan 0.000 0.425 265 I N 5.989 126.738 120.570 0.298 0.000 2.297 265 I HA 0.320 4.476 4.170 -0.024 0.000 0.291 265 I C 0.558 176.837 176.117 0.270 0.000 1.033 265 I CA -0.358 61.136 61.300 0.323 0.000 1.253 265 I CB 1.423 39.571 38.000 0.248 0.000 1.396 265 I HN 0.837 nan 8.210 nan 0.000 0.476 266 A N 6.052 129.018 122.820 0.244 0.000 3.202 266 A HA 0.420 4.726 4.320 -0.024 0.000 0.258 266 A C -0.023 177.646 177.584 0.142 0.000 1.572 266 A CA -0.034 52.133 52.037 0.218 0.000 1.241 266 A CB -0.590 18.508 19.000 0.164 0.000 1.127 266 A HN 0.887 nan 8.150 nan 0.000 0.648 267 N N -0.509 118.209 118.700 0.030 0.000 3.348 267 N HA 0.309 5.035 4.740 -0.024 0.000 0.233 267 N C -1.341 173.815 175.510 -0.592 0.000 1.440 267 N CA -0.527 52.309 53.050 -0.357 0.000 0.887 267 N CB 0.934 39.294 38.487 -0.212 0.000 1.410 267 N HN 0.476 nan 8.380 nan 0.000 0.502 268 N N 0.126 118.315 118.700 -0.851 0.000 3.343 268 N HA 0.684 5.410 4.740 -0.024 0.000 0.330 268 N C 0.523 175.608 175.510 -0.708 0.000 1.560 268 N CA 0.251 52.633 53.050 -1.113 0.000 0.752 268 N CB 0.001 37.808 38.487 -1.133 0.000 1.863 268 N HN 0.835 nan 8.380 nan 0.000 0.636 269 G N 0.387 108.803 108.800 -0.640 0.000 2.564 269 G HA2 -0.325 3.621 3.960 -0.024 0.000 0.273 269 G HA3 -0.325 3.621 3.960 -0.024 0.000 0.273 269 G C 0.677 175.466 174.900 -0.184 0.000 1.242 269 G CA 0.519 45.472 45.100 -0.245 0.000 0.951 269 G HN 0.839 nan 8.290 nan 0.000 0.564 270 I N 1.528 122.026 120.570 -0.120 0.000 2.286 270 I HA 0.071 4.227 4.170 -0.024 0.000 0.248 270 I C 3.105 179.192 176.117 -0.049 0.000 1.115 270 I CA 2.760 63.975 61.300 -0.142 0.000 1.392 270 I CB -0.891 36.850 38.000 -0.432 0.000 1.065 270 I HN 1.027 nan 8.210 nan 0.000 0.418 271 A N 0.399 123.160 122.820 -0.099 0.000 1.883 271 A HA -0.170 4.136 4.320 -0.024 0.000 0.217 271 A C 2.512 180.005 177.584 -0.151 0.000 1.186 271 A CA 2.129 53.995 52.037 -0.285 0.000 0.624 271 A CB -1.358 17.117 19.000 -0.875 0.000 0.822 271 A HN 0.519 nan 8.150 nan 0.000 0.444 272 A N -0.838 121.853 122.820 -0.215 0.000 1.898 272 A HA 0.060 4.365 4.320 -0.024 0.000 0.216 272 A C 2.243 179.671 177.584 -0.259 0.000 1.181 272 A CA 1.682 53.577 52.037 -0.236 0.000 0.620 272 A CB -0.853 17.985 19.000 -0.270 0.000 0.819 272 A HN 0.374 nan 8.150 nan 0.000 0.442 273 V N 0.308 120.123 119.914 -0.166 0.000 2.307 273 V HA -0.234 3.872 4.120 -0.024 0.000 0.245 273 V C 2.589 178.565 176.094 -0.198 0.000 1.045 273 V CA 2.427 64.647 62.300 -0.133 0.000 1.024 273 V CB -0.601 31.192 31.823 -0.049 0.000 0.651 273 V HN 0.612 nan 8.190 nan 0.000 0.449 274 K N 0.258 120.564 120.400 -0.157 0.000 2.032 274 K HA -0.211 4.094 4.320 -0.024 0.000 0.209 274 K C 2.236 178.669 176.600 -0.279 0.000 1.048 274 K CA 2.276 58.481 56.287 -0.137 0.000 0.927 274 K CB -1.400 31.154 32.500 0.090 0.000 0.712 274 K HN 0.519 nan 8.250 nan 0.000 0.441 275 C N 0.414 119.398 119.300 -0.528 0.000 2.413 275 C HA -0.091 4.354 4.460 -0.024 0.000 0.277 275 C C 2.530 177.041 174.990 -0.798 0.000 1.228 275 C CA 1.478 59.927 59.018 -0.948 0.000 1.731 275 C CB -0.941 25.657 27.740 -1.904 0.000 2.042 275 C HN 0.640 nan 8.230 nan 0.000 0.468 276 M N -0.315 118.775 119.600 -0.851 0.000 2.117 276 M HA -0.138 4.328 4.480 -0.024 0.000 0.262 276 M C 2.465 178.502 176.300 -0.438 0.000 1.065 276 M CA 1.960 56.689 55.300 -0.952 0.000 1.114 276 M CB -0.548 31.601 32.600 -0.751 0.000 1.361 276 M HN 0.328 nan 8.290 nan 0.000 0.408 277 R N -0.072 120.244 120.500 -0.307 0.000 2.073 277 R HA -0.074 4.252 4.340 -0.024 0.000 0.234 277 R C 2.370 178.591 176.300 -0.131 0.000 1.134 277 R CA 1.851 57.842 56.100 -0.182 0.000 0.952 277 R CB -0.236 29.959 30.300 -0.174 0.000 0.850 277 R HN 0.240 nan 8.270 nan 0.000 0.433 278 S N 0.191 115.797 115.700 -0.157 0.000 2.356 278 S HA -0.104 4.352 4.470 -0.024 0.000 0.223 278 S C 1.871 176.476 174.600 0.007 0.000 1.032 278 S CA 1.323 59.473 58.200 -0.084 0.000 1.005 278 S CB -0.191 62.952 63.200 -0.095 0.000 0.867 278 S HN 0.246 nan 8.310 nan 0.000 0.449 279 I N 1.000 121.567 120.570 -0.004 0.000 2.315 279 I HA -0.156 4.000 4.170 -0.024 0.000 0.248 279 I C 2.632 178.925 176.117 0.292 0.000 1.117 279 I CA 1.020 62.429 61.300 0.182 0.000 1.404 279 I CB -0.275 37.878 38.000 0.255 0.000 1.071 279 I HN 0.171 nan 8.210 nan 0.000 0.419 280 R N 0.537 121.152 120.500 0.193 0.000 2.091 280 R HA -0.222 4.104 4.340 -0.024 0.000 0.238 280 R C 2.409 178.810 176.300 0.168 0.000 1.136 280 R CA 1.650 57.863 56.100 0.188 0.000 0.959 280 R CB -0.397 29.968 30.300 0.107 0.000 0.856 280 R HN 0.256 nan 8.270 nan 0.000 0.437 281 R N 0.152 120.730 120.500 0.131 0.000 2.096 281 R HA -0.203 4.122 4.340 -0.024 0.000 0.235 281 R C 1.891 178.303 176.300 0.188 0.000 1.127 281 R CA 1.722 57.909 56.100 0.145 0.000 0.968 281 R CB -0.672 29.678 30.300 0.083 0.000 0.861 281 R HN 0.375 nan 8.270 nan 0.000 0.440 282 W N 0.760 122.076 121.300 0.027 0.000 2.358 282 W HA -0.012 4.634 4.660 -0.023 0.000 0.303 282 W C 1.978 178.478 176.519 -0.032 0.000 1.208 282 W CA 1.956 59.285 57.345 -0.026 0.000 1.274 282 W CB -0.539 28.886 29.460 -0.059 0.000 1.138 282 W HN 0.233 nan 8.180 nan 0.000 0.515 283 A N -0.418 122.401 122.820 -0.001 0.000 1.933 283 A HA -0.256 4.050 4.320 -0.024 0.000 0.218 283 A C 1.883 179.415 177.584 -0.086 0.000 1.175 283 A CA 1.746 53.772 52.037 -0.017 0.000 0.628 283 A CB -1.603 17.519 19.000 0.204 0.000 0.814 283 A HN 0.608 nan 8.150 nan 0.000 0.444 284 Y N 0.925 121.165 120.300 -0.100 0.000 2.181 284 Y HA -0.165 4.370 4.550 -0.024 0.000 0.288 284 Y C 2.081 177.863 175.900 -0.197 0.000 1.146 284 Y CA 2.125 60.163 58.100 -0.104 0.000 1.164 284 Y CB -0.447 37.977 38.460 -0.060 0.000 0.982 284 Y HN 0.473 nan 8.280 nan 0.000 0.515 285 E N -0.679 119.154 120.200 -0.611 0.000 2.106 285 E HA -0.180 4.155 4.350 -0.024 0.000 0.192 285 E C 2.075 178.246 176.600 -0.714 0.000 0.984 285 E CA 1.294 57.306 56.400 -0.646 0.000 0.806 285 E CB -0.085 29.451 29.700 -0.273 0.000 0.750 285 E HN 0.479 nan 8.360 nan 0.000 0.458 286 M N -0.866 118.116 119.600 -1.030 0.000 2.466 286 M HA 0.061 4.527 4.480 -0.024 0.000 0.265 286 M C 0.828 176.336 176.300 -1.319 0.000 1.122 286 M CA 0.992 55.492 55.300 -1.332 0.000 1.157 286 M CB 0.314 31.627 32.600 -2.146 0.000 1.352 286 M HN 0.109 nan 8.290 nan 0.000 0.464 287 F N -0.794 118.823 119.950 -0.554 0.000 2.728 287 F HA 0.347 4.859 4.527 -0.024 0.000 0.314 287 F C 0.714 176.331 175.800 -0.305 0.000 1.094 287 F CA -0.317 57.454 58.000 -0.381 0.000 1.217 287 F CB 0.260 39.071 39.000 -0.314 0.000 1.056 287 F HN 0.003 nan 8.300 nan 0.000 0.577 288 R N 1.003 121.349 120.500 -0.257 0.000 3.875 288 R HA -0.272 4.054 4.340 -0.024 0.000 0.321 288 R C -0.407 175.925 176.300 0.053 0.000 1.196 288 R CA 0.894 56.880 56.100 -0.190 0.000 0.868 288 R CB -2.695 27.522 30.300 -0.138 0.000 1.333 288 R HN 0.601 nan 8.270 nan 0.000 0.522 289 N N 0.199 118.945 118.700 0.077 0.000 2.609 289 N HA 0.094 4.820 4.740 -0.024 0.000 0.268 289 N C 0.728 176.298 175.510 0.100 0.000 1.106 289 N CA -0.230 52.870 53.050 0.083 0.000 0.823 289 N CB 1.067 39.566 38.487 0.020 0.000 1.263 289 N HN 0.140 nan 8.380 nan 0.000 0.533 290 E N 1.530 121.810 120.200 0.132 0.000 2.171 290 E HA -0.152 4.183 4.350 -0.024 0.000 0.197 290 E C 0.515 177.170 176.600 0.093 0.000 0.997 290 E CA 1.168 57.644 56.400 0.126 0.000 0.810 290 E CB 0.321 30.073 29.700 0.087 0.000 0.738 290 E HN 0.515 nan 8.360 nan 0.000 0.467 291 R N -0.716 119.811 120.500 0.045 0.000 2.466 291 R HA 0.218 4.544 4.340 -0.024 0.000 0.279 291 R C 1.307 177.570 176.300 -0.062 0.000 0.976 291 R CA 0.497 56.610 56.100 0.021 0.000 1.081 291 R CB -0.040 30.266 30.300 0.010 0.000 1.215 291 R HN 0.113 nan 8.270 nan 0.000 0.546 292 A N 1.009 123.756 122.820 -0.122 0.000 1.978 292 A HA -0.075 4.231 4.320 -0.024 0.000 0.220 292 A C 0.971 178.364 177.584 -0.319 0.000 1.170 292 A CA 0.969 52.811 52.037 -0.324 0.000 0.636 292 A CB -0.065 18.501 19.000 -0.723 0.000 0.810 292 A HN 0.080 nan 8.150 nan 0.000 0.448 293 I N 1.280 121.713 120.570 -0.228 0.000 2.328 293 I HA 0.283 4.438 4.170 -0.024 0.000 0.287 293 I C -0.172 175.684 176.117 -0.435 0.000 1.012 293 I CA -0.523 60.590 61.300 -0.311 0.000 1.195 293 I CB 0.618 38.463 38.000 -0.258 0.000 1.350 293 I HN 0.196 nan 8.210 nan 0.000 0.464 294 R N 5.103 125.381 120.500 -0.371 0.000 2.615 294 R HA 0.514 4.840 4.340 -0.024 0.000 0.270 294 R C -0.989 175.015 176.300 -0.494 0.000 1.081 294 R CA -0.277 55.668 56.100 -0.258 0.000 1.154 294 R CB 0.699 30.954 30.300 -0.075 0.000 1.063 294 R HN 0.230 nan 8.270 nan 0.000 0.519 295 F N -0.415 119.565 119.950 0.050 0.000 2.540 295 F HA 0.378 4.891 4.527 -0.024 0.000 0.317 295 F C -0.190 175.678 175.800 0.115 0.000 1.104 295 F CA -0.889 57.146 58.000 0.058 0.000 0.913 295 F CB 2.003 41.015 39.000 0.019 0.000 1.170 295 F HN -0.012 nan 8.300 nan 0.000 0.450 296 V N 3.887 123.992 119.914 0.318 0.000 2.540 296 V HA 0.702 4.807 4.120 -0.024 0.000 0.302 296 V C -0.711 175.554 176.094 0.285 0.000 1.035 296 V CA -0.897 61.566 62.300 0.272 0.000 0.873 296 V CB 1.868 33.800 31.823 0.182 0.000 0.992 296 V HN 0.615 nan 8.190 nan 0.000 0.428 297 V N 2.338 122.434 119.914 0.304 0.000 2.815 297 V HA 0.691 4.797 4.120 -0.024 0.000 0.314 297 V C -0.292 176.013 176.094 0.353 0.000 1.064 297 V CA -0.984 61.521 62.300 0.341 0.000 0.952 297 V CB 2.048 34.127 31.823 0.427 0.000 1.020 297 V HN 0.782 nan 8.190 nan 0.000 0.439 298 M N 2.965 122.792 119.600 0.379 0.000 2.188 298 M HA 0.641 5.106 4.480 -0.024 0.000 0.357 298 M C -1.016 175.548 176.300 0.440 0.000 1.204 298 M CA -0.462 55.028 55.300 0.318 0.000 1.095 298 M CB 1.684 34.421 32.600 0.229 0.000 1.604 298 M HN 0.595 nan 8.290 nan 0.000 0.464 299 V N 1.812 121.897 119.914 0.285 0.000 2.638 299 V HA 0.471 4.577 4.120 -0.024 0.000 0.306 299 V C 0.112 176.286 176.094 0.133 0.000 1.052 299 V CA -0.873 61.598 62.300 0.285 0.000 0.885 299 V CB 2.029 33.935 31.823 0.138 0.000 0.999 299 V HN 0.961 nan 8.190 nan 0.000 0.424 300 T N 2.027 116.671 114.554 0.148 0.000 2.902 300 T HA 0.415 4.750 4.350 -0.024 0.000 0.280 300 T C -1.971 172.771 174.700 0.070 0.000 0.992 300 T CA -1.948 60.186 62.100 0.057 0.000 1.015 300 T CB 1.809 70.720 68.868 0.072 0.000 1.044 300 T HN 0.378 nan 8.240 nan 0.000 0.520 301 P HA -0.092 nan 4.420 nan 0.000 0.216 301 P C 1.180 178.507 177.300 0.045 0.000 1.150 301 P CA 1.058 64.183 63.100 0.041 0.000 0.837 301 P CB 0.081 31.800 31.700 0.032 0.000 0.786 302 E N -0.507 119.730 120.200 0.062 0.000 2.031 302 E HA -0.176 4.160 4.350 -0.024 0.000 0.193 302 E C 1.819 178.465 176.600 0.078 0.000 0.994 302 E CA 1.341 57.783 56.400 0.070 0.000 0.800 302 E CB -1.162 28.590 29.700 0.087 0.000 0.752 302 E HN 0.237 nan 8.360 nan 0.000 0.447 303 D N -0.008 120.463 120.400 0.118 0.000 2.104 303 D HA -0.146 4.479 4.640 -0.024 0.000 0.194 303 D C 1.861 178.174 176.300 0.022 0.000 0.994 303 D CA 0.677 54.758 54.000 0.135 0.000 0.830 303 D CB -0.306 40.669 40.800 0.291 0.000 0.959 303 D HN 0.039 nan 8.370 nan 0.000 0.452 304 L N 0.960 122.171 121.223 -0.019 0.000 2.131 304 L HA -0.118 4.207 4.340 -0.024 0.000 0.210 304 L C 1.982 178.815 176.870 -0.062 0.000 1.092 304 L CA 1.664 56.441 54.840 -0.105 0.000 0.759 304 L CB -0.341 41.663 42.059 -0.092 0.000 0.903 304 L HN -0.102 nan 8.230 nan 0.000 0.435 305 K N -0.917 119.475 120.400 -0.014 0.000 2.103 305 K HA -0.008 4.298 4.320 -0.024 0.000 0.204 305 K C 1.585 178.183 176.600 -0.004 0.000 1.052 305 K CA 1.018 57.303 56.287 -0.003 0.000 0.945 305 K CB -0.093 32.416 32.500 0.015 0.000 0.722 305 K HN 0.371 nan 8.250 nan 0.000 0.443 306 A N 0.884 123.707 122.820 0.006 0.000 2.302 306 A HA 0.087 4.393 4.320 -0.024 0.000 0.219 306 A C -0.304 177.273 177.584 -0.012 0.000 1.243 306 A CA -0.035 52.009 52.037 0.011 0.000 0.856 306 A CB -0.486 18.538 19.000 0.039 0.000 0.893 306 A HN 0.568 nan 8.150 nan 0.000 0.491 307 N N -0.695 117.977 118.700 -0.047 0.000 2.699 307 N HA -0.180 4.546 4.740 -0.024 0.000 0.256 307 N C 0.199 175.654 175.510 -0.091 0.000 0.993 307 N CA 0.689 53.687 53.050 -0.088 0.000 0.759 307 N CB -1.414 37.033 38.487 -0.065 0.000 0.906 307 N HN 0.744 nan 8.380 nan 0.000 0.541 308 A N 0.236 123.000 122.820 -0.093 0.000 2.565 308 A HA 0.072 4.378 4.320 -0.024 0.000 0.237 308 A C 1.417 178.927 177.584 -0.124 0.000 1.053 308 A CA 0.154 52.167 52.037 -0.040 0.000 0.755 308 A CB 0.348 19.405 19.000 0.095 0.000 0.980 308 A HN 0.428 nan 8.150 nan 0.000 0.506 309 E N 1.094 121.284 120.200 -0.016 0.000 2.085 309 E HA -0.265 4.070 4.350 -0.024 0.000 0.194 309 E C 1.527 178.102 176.600 -0.042 0.000 0.994 309 E CA 2.381 58.765 56.400 -0.027 0.000 0.801 309 E CB -0.676 29.034 29.700 0.016 0.000 0.743 309 E HN 0.971 nan 8.360 nan 0.000 0.453 310 Y N 0.101 120.367 120.300 -0.057 0.000 2.315 310 Y HA -0.137 4.399 4.550 -0.024 0.000 0.288 310 Y C 1.835 177.702 175.900 -0.055 0.000 1.154 310 Y CA 0.952 59.013 58.100 -0.065 0.000 1.229 310 Y CB -0.542 37.878 38.460 -0.066 0.000 0.980 310 Y HN -0.013 nan 8.280 nan 0.000 0.540 311 I N 1.032 121.109 120.570 -0.822 0.000 2.163 311 I HA -0.251 3.904 4.170 -0.024 0.000 0.240 311 I C 2.236 178.175 176.117 -0.297 0.000 1.081 311 I CA 1.798 62.687 61.300 -0.685 0.000 1.353 311 I CB -0.430 37.090 38.000 -0.800 0.000 1.054 311 I HN 0.153 nan 8.210 nan 0.000 0.407 312 K N 0.421 120.681 120.400 -0.234 0.000 2.147 312 K HA -0.116 4.189 4.320 -0.024 0.000 0.205 312 K C 2.102 178.662 176.600 -0.067 0.000 1.049 312 K CA 1.324 57.539 56.287 -0.120 0.000 0.936 312 K CB -0.166 32.272 32.500 -0.102 0.000 0.722 312 K HN 0.286 nan 8.250 nan 0.000 0.446 313 M N 0.890 120.452 119.600 -0.063 0.000 2.229 313 M HA -0.031 4.435 4.480 -0.024 0.000 0.264 313 M C 0.774 177.074 176.300 -0.000 0.000 1.063 313 M CA 0.482 55.763 55.300 -0.031 0.000 1.114 313 M CB -0.027 32.553 32.600 -0.032 0.000 1.387 313 M HN 0.121 nan 8.290 nan 0.000 0.420 314 A N 0.652 123.486 122.820 0.022 0.000 2.386 314 A HA 0.009 4.315 4.320 -0.024 0.000 0.248 314 A C 0.588 178.211 177.584 0.066 0.000 1.082 314 A CA -0.333 51.762 52.037 0.097 0.000 0.789 314 A CB 0.155 19.252 19.000 0.160 0.000 1.025 314 A HN 0.359 nan 8.150 nan 0.000 0.490 315 D N -0.043 120.403 120.400 0.076 0.000 2.144 315 D HA -0.027 4.599 4.640 -0.024 0.000 0.200 315 D C -0.019 176.061 176.300 -0.367 0.000 0.978 315 D CA 1.752 55.682 54.000 -0.118 0.000 0.833 315 D CB 0.020 40.795 40.800 -0.041 0.000 0.961 315 D HN 0.755 nan 8.370 nan 0.000 0.470 316 H N -2.339 116.797 119.070 0.111 0.000 2.980 316 H HA 0.380 4.922 4.556 -0.024 0.000 0.367 316 H C -1.054 174.371 175.328 0.162 0.000 1.206 316 H CA -0.998 55.094 56.048 0.075 0.000 1.126 316 H CB 1.613 31.378 29.762 0.004 0.000 1.838 316 H HN -0.076 nan 8.280 nan 0.000 0.552 317 Y N -0.790 119.608 120.300 0.163 0.000 2.553 317 Y HA 0.649 5.185 4.550 -0.024 0.000 0.347 317 Y C -1.565 174.389 175.900 0.090 0.000 1.019 317 Y CA -1.478 56.688 58.100 0.110 0.000 1.032 317 Y CB 1.123 39.610 38.460 0.045 0.000 1.284 317 Y HN 0.482 nan 8.280 nan 0.000 0.466 318 V N 0.475 120.519 119.914 0.217 0.000 2.409 318 V HA 0.642 4.748 4.120 -0.024 0.000 0.290 318 V C -3.100 173.099 176.094 0.175 0.000 1.017 318 V CA -2.648 59.712 62.300 0.101 0.000 0.841 318 V CB 1.107 32.966 31.823 0.060 0.000 1.003 318 V HN 0.654 nan 8.190 nan 0.000 0.426 319 P HA 0.342 nan 4.420 nan 0.000 0.268 319 P C -0.230 177.104 177.300 0.056 0.000 1.204 319 P CA 0.251 63.440 63.100 0.148 0.000 0.768 319 P CB 1.148 32.932 31.700 0.141 0.000 0.842 320 V N 1.107 121.031 119.914 0.016 0.000 3.141 320 V HA 0.715 4.821 4.120 -0.024 0.000 0.312 320 V C -2.791 173.271 176.094 -0.053 0.000 1.157 320 V CA -3.263 59.012 62.300 -0.042 0.000 1.041 320 V CB 1.360 33.113 31.823 -0.116 0.000 1.071 320 V HN 0.218 nan 8.190 nan 0.000 0.441 321 P HA 0.289 nan 4.420 nan 0.000 0.266 321 P C 0.367 177.632 177.300 -0.058 0.000 1.193 321 P CA 0.922 63.995 63.100 -0.046 0.000 0.770 321 P CB 0.375 32.049 31.700 -0.043 0.000 0.836 322 G N 0.641 109.426 108.800 -0.024 0.000 2.531 322 G HA2 0.570 4.515 3.960 -0.024 0.000 0.253 322 G HA3 0.570 4.515 3.960 -0.024 0.000 0.253 322 G C 0.205 175.102 174.900 -0.004 0.000 1.439 322 G CA -0.182 44.913 45.100 -0.009 0.000 1.056 322 G HN 0.841 nan 8.290 nan 0.000 0.555 323 G N -0.887 107.925 108.800 0.021 0.000 2.725 323 G HA2 -0.019 3.927 3.960 -0.024 0.000 0.220 323 G HA3 -0.019 3.927 3.960 -0.024 0.000 0.220 323 G C -2.195 172.727 174.900 0.037 0.000 1.357 323 G CA -0.165 44.951 45.100 0.027 0.000 0.866 323 G HN 0.815 nan 8.290 nan 0.000 0.548 324 P HA 0.055 nan 4.420 nan 0.000 0.270 324 P C 1.051 178.384 177.300 0.054 0.000 1.221 324 P CA 0.581 63.717 63.100 0.060 0.000 0.788 324 P CB -0.023 31.709 31.700 0.052 0.000 0.904 325 N N 1.179 119.936 118.700 0.094 0.000 2.443 325 N HA -0.185 4.541 4.740 -0.024 0.000 0.184 325 N C 1.006 176.536 175.510 0.033 0.000 1.037 325 N CA 0.393 53.492 53.050 0.083 0.000 0.896 325 N CB -0.573 38.038 38.487 0.206 0.000 0.959 325 N HN 0.366 nan 8.380 nan 0.000 0.442 326 N N 0.821 119.544 118.700 0.038 0.000 2.520 326 N HA -0.145 4.580 4.740 -0.024 0.000 0.185 326 N C 0.319 175.824 175.510 -0.008 0.000 1.068 326 N CA 0.737 53.800 53.050 0.021 0.000 0.911 326 N CB -0.494 38.009 38.487 0.027 0.000 0.961 326 N HN 0.553 nan 8.380 nan 0.000 0.446 327 N N -0.148 118.538 118.700 -0.024 0.000 2.280 327 N HA 0.007 4.733 4.740 -0.024 0.000 0.192 327 N C 0.078 175.529 175.510 -0.099 0.000 1.109 327 N CA 0.063 53.085 53.050 -0.046 0.000 0.855 327 N CB 0.194 38.660 38.487 -0.034 0.000 0.974 327 N HN 0.468 nan 8.380 nan 0.000 0.482 328 N N -1.261 117.352 118.700 -0.145 0.000 2.820 328 N HA -0.044 4.682 4.740 -0.024 0.000 0.279 328 N C 0.533 175.864 175.510 -0.300 0.000 1.415 328 N CA -0.296 52.580 53.050 -0.290 0.000 1.471 328 N CB -0.295 37.890 38.487 -0.503 0.000 0.822 328 N HN -0.156 nan 8.380 nan 0.000 1.151 329 Y N 0.676 120.863 120.300 -0.189 0.000 2.256 329 Y HA 0.215 4.751 4.550 -0.024 0.000 0.288 329 Y C 2.086 177.852 175.900 -0.223 0.000 1.155 329 Y CA 1.354 59.257 58.100 -0.327 0.000 1.203 329 Y CB -0.494 37.459 38.460 -0.845 0.000 0.980 329 Y HN 0.569 nan 8.280 nan 0.000 0.530 330 A N -0.872 121.943 122.820 -0.008 0.000 2.387 330 A HA 0.076 4.382 4.320 -0.024 0.000 0.234 330 A C 0.701 178.299 177.584 0.023 0.000 1.253 330 A CA -0.271 51.803 52.037 0.062 0.000 0.894 330 A CB -0.352 18.722 19.000 0.123 0.000 0.963 330 A HN 0.214 nan 8.150 nan 0.000 0.508 331 N N 1.230 119.924 118.700 -0.010 0.000 2.482 331 N HA 0.169 4.895 4.740 -0.024 0.000 0.242 331 N C 1.041 176.543 175.510 -0.014 0.000 1.100 331 N CA 0.039 53.080 53.050 -0.015 0.000 0.946 331 N CB 1.089 39.557 38.487 -0.032 0.000 1.227 331 N HN 0.005 nan 8.380 nan 0.000 0.508 332 V N 3.858 123.764 119.914 -0.013 0.000 2.282 332 V HA -0.253 3.853 4.120 -0.024 0.000 0.249 332 V C 2.053 178.134 176.094 -0.022 0.000 1.057 332 V CA 1.785 64.069 62.300 -0.026 0.000 1.032 332 V CB -0.296 31.505 31.823 -0.037 0.000 0.645 332 V HN 0.668 nan 8.190 nan 0.000 0.447 333 E N -0.442 119.749 120.200 -0.015 0.000 2.150 333 E HA -0.213 4.122 4.350 -0.024 0.000 0.193 333 E C 2.119 178.712 176.600 -0.011 0.000 0.985 333 E CA 1.173 57.566 56.400 -0.012 0.000 0.814 333 E CB -0.195 29.501 29.700 -0.007 0.000 0.752 333 E HN 0.452 nan 8.360 nan 0.000 0.466 334 L N 1.222 122.436 121.223 -0.015 0.000 2.027 334 L HA -0.131 4.194 4.340 -0.024 0.000 0.206 334 L C 2.100 178.965 176.870 -0.008 0.000 1.074 334 L CA 1.421 56.250 54.840 -0.018 0.000 0.745 334 L CB -0.322 41.717 42.059 -0.034 0.000 0.898 334 L HN 0.042 nan 8.230 nan 0.000 0.433 335 I N -1.398 119.170 120.570 -0.002 0.000 2.151 335 I HA -0.331 3.825 4.170 -0.024 0.000 0.243 335 I C 2.346 178.476 176.117 0.022 0.000 1.080 335 I CA 1.540 62.852 61.300 0.021 0.000 1.339 335 I CB -0.448 37.570 38.000 0.031 0.000 1.039 335 I HN 0.098 nan 8.210 nan 0.000 0.409 336 V N 0.638 120.556 119.914 0.006 0.000 2.287 336 V HA -0.345 3.760 4.120 -0.024 0.000 0.248 336 V C 2.216 178.315 176.094 0.007 0.000 1.053 336 V CA 2.384 64.688 62.300 0.005 0.000 1.027 336 V CB -0.718 31.100 31.823 -0.008 0.000 0.646 336 V HN 0.475 nan 8.190 nan 0.000 0.447 337 D N -0.028 120.373 120.400 0.002 0.000 2.123 337 D HA -0.172 4.454 4.640 -0.024 0.000 0.196 337 D C 1.943 178.245 176.300 0.002 0.000 0.992 337 D CA 1.508 55.507 54.000 -0.000 0.000 0.833 337 D CB -0.172 40.625 40.800 -0.005 0.000 0.954 337 D HN 0.457 nan 8.370 nan 0.000 0.455 338 I N 0.234 120.809 120.570 0.008 0.000 2.252 338 I HA -0.218 3.938 4.170 -0.024 0.000 0.245 338 I C 2.455 178.583 176.117 0.018 0.000 1.102 338 I CA 0.983 62.291 61.300 0.013 0.000 1.385 338 I CB -0.329 37.687 38.000 0.026 0.000 1.064 338 I HN 0.034 nan 8.210 nan 0.000 0.414 339 A N 0.814 123.651 122.820 0.029 0.000 1.978 339 A HA -0.231 4.074 4.320 -0.024 0.000 0.220 339 A C 2.267 179.861 177.584 0.017 0.000 1.170 339 A CA 1.744 53.802 52.037 0.034 0.000 0.636 339 A CB -0.388 18.641 19.000 0.049 0.000 0.810 339 A HN 0.370 nan 8.150 nan 0.000 0.448 340 K N -1.056 119.350 120.400 0.010 0.000 2.137 340 K HA 0.060 4.365 4.320 -0.024 0.000 0.202 340 K C 2.220 178.816 176.600 -0.006 0.000 1.052 340 K CA 0.675 56.963 56.287 0.003 0.000 0.961 340 K CB -0.055 32.446 32.500 0.002 0.000 0.741 340 K HN 0.312 nan 8.250 nan 0.000 0.452 341 R N 0.694 121.189 120.500 -0.009 0.000 2.115 341 R HA 0.029 4.354 4.340 -0.024 0.000 0.226 341 R C 2.209 178.491 176.300 -0.030 0.000 1.100 341 R CA 0.819 56.907 56.100 -0.018 0.000 0.980 341 R CB -0.318 29.971 30.300 -0.018 0.000 0.875 341 R HN 0.167 nan 8.270 nan 0.000 0.445 342 I N 1.364 121.915 120.570 -0.031 0.000 2.069 342 I HA -0.178 3.977 4.170 -0.024 0.000 0.237 342 I C -0.886 175.194 176.117 -0.063 0.000 1.053 342 I CA 1.118 62.385 61.300 -0.055 0.000 1.311 342 I CB -1.096 36.875 38.000 -0.047 0.000 1.030 342 I HN 0.188 nan 8.210 nan 0.000 0.398 343 P HA 0.360 nan 4.420 nan 0.000 0.287 343 P C -1.008 176.277 177.300 -0.024 0.000 1.292 343 P CA -0.194 62.891 63.100 -0.025 0.000 0.879 343 P CB 2.386 34.076 31.700 -0.017 0.000 1.214 344 V N -1.648 118.262 119.914 -0.005 0.000 3.103 344 V HA 0.446 4.552 4.120 -0.024 0.000 0.318 344 V C 0.653 176.751 176.094 0.007 0.000 1.114 344 V CA -0.541 61.757 62.300 -0.003 0.000 1.020 344 V CB 1.466 33.302 31.823 0.021 0.000 1.085 344 V HN 0.342 nan 8.190 nan 0.000 0.446 345 Q N 0.735 120.538 119.800 0.004 0.000 2.352 345 Q HA 0.709 5.035 4.340 -0.024 0.000 0.212 345 Q C 0.409 176.431 176.000 0.037 0.000 0.888 345 Q CA 1.005 56.818 55.803 0.017 0.000 0.934 345 Q CB 1.002 29.746 28.738 0.010 0.000 1.093 345 Q HN 1.169 nan 8.270 nan 0.000 0.523 346 A N -0.734 122.114 122.820 0.046 0.000 2.609 346 A HA 0.766 5.072 4.320 -0.024 0.000 0.291 346 A C -1.448 176.210 177.584 0.123 0.000 1.096 346 A CA -0.629 51.456 52.037 0.080 0.000 0.684 346 A CB 1.485 20.521 19.000 0.060 0.000 1.282 346 A HN -0.067 nan 8.150 nan 0.000 0.412 347 V N -0.094 119.928 119.914 0.180 0.000 2.709 347 V HA 0.626 4.731 4.120 -0.024 0.000 0.308 347 V C -1.302 174.941 176.094 0.249 0.000 1.062 347 V CA -0.277 62.167 62.300 0.241 0.000 0.901 347 V CB 1.887 33.874 31.823 0.273 0.000 1.003 347 V HN 0.969 nan 8.190 nan 0.000 0.425 348 W N 3.649 124.976 121.300 0.044 0.000 2.600 348 W HA 0.703 5.349 4.660 -0.023 0.000 0.325 348 W C 0.228 176.744 176.519 -0.004 0.000 1.034 348 W CA -0.161 57.148 57.345 -0.061 0.000 1.226 348 W CB 2.193 31.626 29.460 -0.045 0.000 1.379 348 W HN 0.654 nan 8.180 nan 0.000 0.466 349 A N 4.378 126.944 122.820 -0.423 0.000 2.259 349 A HA 0.551 4.857 4.320 -0.024 0.000 0.213 349 A C 1.366 178.425 177.584 -0.875 0.000 1.209 349 A CA 0.991 52.821 52.037 -0.345 0.000 0.910 349 A CB -0.619 18.361 19.000 -0.034 0.000 0.946 349 A HN 1.587 nan 8.150 nan 0.000 0.497 350 G N -0.427 107.291 108.800 -1.803 0.000 2.543 350 G HA2 -0.268 3.678 3.960 -0.024 0.000 0.286 350 G HA3 -0.268 3.678 3.960 -0.024 0.000 0.286 350 G C -0.009 174.514 174.900 -0.628 0.000 1.153 350 G CA 0.783 44.801 45.100 -1.804 0.000 0.968 350 G HN 1.676 nan 8.290 nan 0.000 0.544 351 W N -0.733 120.359 121.300 -0.346 0.000 2.962 351 W HA 0.746 5.392 4.660 -0.024 0.000 0.341 351 W C 0.579 176.991 176.519 -0.179 0.000 1.155 351 W CA -0.559 56.671 57.345 -0.191 0.000 1.165 351 W CB 0.862 30.261 29.460 -0.102 0.000 1.435 351 W HN 2.499 nan 8.180 nan 0.000 0.546 352 G N 0.443 109.282 108.800 0.064 0.000 2.828 352 G HA2 -0.051 3.894 3.960 -0.024 0.000 0.463 352 G HA3 -0.051 3.894 3.960 -0.024 0.000 0.463 352 G C -0.072 174.739 174.900 -0.149 0.000 1.394 352 G CA 0.716 45.742 45.100 -0.123 0.000 0.862 352 G HN 1.636 nan 8.290 nan 0.000 0.540 353 H N -1.958 117.131 119.070 0.031 0.000 1.452 353 H HA -0.188 4.354 4.556 -0.024 0.000 0.090 353 H C 2.119 177.458 175.328 0.017 0.000 0.836 353 H CA 2.190 58.257 56.048 0.031 0.000 1.901 353 H CB -1.304 28.472 29.762 0.024 0.000 2.257 353 H HN 1.965 nan 8.280 nan 0.000 0.961 354 A N 0.725 123.651 122.820 0.177 0.000 2.379 354 A HA 0.206 4.511 4.320 -0.024 0.000 0.236 354 A C 1.944 179.546 177.584 0.029 0.000 1.272 354 A CA 0.733 52.809 52.037 0.065 0.000 0.886 354 A CB -0.354 18.670 19.000 0.039 0.000 0.962 354 A HN 0.602 nan 8.150 nan 0.000 0.504 355 S N 0.187 115.911 115.700 0.040 0.000 2.442 355 S HA -0.139 4.317 4.470 -0.024 0.000 0.236 355 S C 0.991 175.624 174.600 0.057 0.000 1.007 355 S CA 1.439 59.667 58.200 0.047 0.000 0.965 355 S CB -0.264 62.913 63.200 -0.039 0.000 0.773 355 S HN 0.664 nan 8.310 nan 0.000 0.504 356 E N 0.833 121.042 120.200 0.014 0.000 2.501 356 E HA 0.202 4.537 4.350 -0.024 0.000 0.201 356 E C -0.370 176.186 176.600 -0.073 0.000 1.016 356 E CA -0.324 56.070 56.400 -0.010 0.000 0.920 356 E CB 0.104 29.807 29.700 0.005 0.000 1.023 356 E HN 0.349 nan 8.360 nan 0.000 0.474 357 N N 2.693 121.335 118.700 -0.098 0.000 2.415 357 N HA 0.049 4.775 4.740 -0.024 0.000 0.246 357 N C -1.532 173.810 175.510 -0.280 0.000 1.078 357 N CA -2.072 50.888 53.050 -0.149 0.000 0.942 357 N CB 1.095 39.526 38.487 -0.095 0.000 1.140 357 N HN -0.080 nan 8.380 nan 0.000 0.501 358 P HA -0.170 nan 4.420 nan 0.000 0.220 358 P C 0.435 177.417 177.300 -0.530 0.000 1.144 358 P CA 1.193 63.894 63.100 -0.664 0.000 0.800 358 P CB 0.433 31.372 31.700 -1.268 0.000 0.772 359 K N -0.931 119.285 120.400 -0.307 0.000 2.365 359 K HA -0.057 4.249 4.320 -0.024 0.000 0.199 359 K C 2.082 178.579 176.600 -0.173 0.000 1.045 359 K CA 0.436 56.656 56.287 -0.111 0.000 0.962 359 K CB -0.490 32.014 32.500 0.006 0.000 0.759 359 K HN 0.151 nan 8.250 nan 0.000 0.469 360 L N 2.668 123.717 121.223 -0.288 0.000 1.973 360 L HA -0.084 4.242 4.340 -0.024 0.000 0.208 360 L C -1.138 175.447 176.870 -0.475 0.000 1.073 360 L CA 1.749 56.372 54.840 -0.362 0.000 0.746 360 L CB -1.100 40.679 42.059 -0.466 0.000 0.891 360 L HN 0.005 nan 8.230 nan 0.000 0.433 361 P HA -0.226 nan 4.420 nan 0.000 0.219 361 P C 1.339 178.493 177.300 -0.244 0.000 1.146 361 P CA 1.604 64.350 63.100 -0.589 0.000 0.808 361 P CB -0.052 31.289 31.700 -0.599 0.000 0.779 362 E N 0.014 120.093 120.200 -0.202 0.000 2.031 362 E HA -0.145 4.191 4.350 -0.024 0.000 0.193 362 E C 2.174 178.755 176.600 -0.031 0.000 0.994 362 E CA 0.777 57.145 56.400 -0.052 0.000 0.800 362 E CB -0.490 29.238 29.700 0.047 0.000 0.752 362 E HN 0.158 nan 8.360 nan 0.000 0.447 363 L N 0.592 121.782 121.223 -0.055 0.000 2.217 363 L HA -0.118 4.208 4.340 -0.024 0.000 0.211 363 L C 2.336 179.187 176.870 -0.033 0.000 1.107 363 L CA 0.426 55.247 54.840 -0.032 0.000 0.783 363 L CB 0.015 42.053 42.059 -0.036 0.000 0.919 363 L HN 0.245 nan 8.230 nan 0.000 0.442 364 L N -1.855 119.332 121.223 -0.059 0.000 2.044 364 L HA -0.274 4.052 4.340 -0.024 0.000 0.205 364 L C 2.745 179.615 176.870 -0.000 0.000 1.075 364 L CA 1.000 55.826 54.840 -0.023 0.000 0.747 364 L CB -0.683 41.365 42.059 -0.018 0.000 0.903 364 L HN 0.378 nan 8.230 nan 0.000 0.435 365 C N 0.445 119.740 119.300 -0.008 0.000 2.413 365 C HA -0.217 4.228 4.460 -0.024 0.000 0.276 365 C C 2.918 177.916 174.990 0.012 0.000 1.236 365 C CA 1.203 60.227 59.018 0.009 0.000 1.735 365 C CB -0.604 27.140 27.740 0.006 0.000 2.031 365 C HN 0.414 nan 8.230 nan 0.000 0.474 366 K N -0.073 120.332 120.400 0.009 0.000 2.360 366 K HA -0.082 4.224 4.320 -0.024 0.000 0.201 366 K C 0.649 177.255 176.600 0.010 0.000 1.046 366 K CA 1.439 57.733 56.287 0.011 0.000 0.945 366 K CB -0.192 32.315 32.500 0.012 0.000 0.750 366 K HN 0.619 nan 8.250 nan 0.000 0.464 367 N N -0.985 117.721 118.700 0.009 0.000 2.234 367 N HA 0.127 4.852 4.740 -0.024 0.000 0.227 367 N C -0.018 175.500 175.510 0.014 0.000 1.151 367 N CA 0.450 53.506 53.050 0.010 0.000 0.865 367 N CB 1.571 40.062 38.487 0.007 0.000 1.066 367 N HN 0.237 nan 8.380 nan 0.000 0.515 368 G N 0.013 108.823 108.800 0.018 0.000 2.153 368 G HA2 -0.258 3.688 3.960 -0.024 0.000 0.252 368 G HA3 -0.258 3.688 3.960 -0.024 0.000 0.252 368 G C -0.245 174.672 174.900 0.028 0.000 0.994 368 G CA 0.214 45.327 45.100 0.022 0.000 0.698 368 G HN 0.195 nan 8.290 nan 0.000 0.521 369 V N 0.769 120.703 119.914 0.033 0.000 2.370 369 V HA 0.768 4.874 4.120 -0.024 0.000 0.283 369 V C 0.894 177.030 176.094 0.070 0.000 1.023 369 V CA -0.477 61.852 62.300 0.048 0.000 0.857 369 V CB 1.273 33.126 31.823 0.048 0.000 0.985 369 V HN 0.997 nan 8.190 nan 0.000 0.443 370 A N 4.782 127.649 122.820 0.079 0.000 2.406 370 A HA 0.642 4.948 4.320 -0.024 0.000 0.243 370 A C -0.793 176.902 177.584 0.186 0.000 1.082 370 A CA 0.072 52.170 52.037 0.101 0.000 0.786 370 A CB 0.251 19.291 19.000 0.068 0.000 1.029 370 A HN 0.775 nan 8.150 nan 0.000 0.495 371 F N 0.838 120.781 119.950 -0.012 0.000 2.529 371 F HA 0.529 5.041 4.527 -0.024 0.000 0.320 371 F C -0.613 175.179 175.800 -0.014 0.000 1.118 371 F CA -1.267 56.723 58.000 -0.017 0.000 0.915 371 F CB 1.557 40.524 39.000 -0.054 0.000 1.161 371 F HN 0.270 nan 8.300 nan 0.000 0.445 372 L N 6.269 127.153 121.223 -0.565 0.000 2.533 372 L HA 0.521 4.847 4.340 -0.024 0.000 0.239 372 L C 0.456 176.811 176.870 -0.859 0.000 1.376 372 L CA 0.434 54.997 54.840 -0.462 0.000 1.240 372 L CB -0.740 41.285 42.059 -0.057 0.000 1.487 372 L HN 0.802 nan 8.230 nan 0.000 0.419 373 G N -0.217 108.059 108.800 -0.873 0.000 2.490 373 G HA2 0.419 4.365 3.960 -0.024 0.000 0.308 373 G HA3 0.419 4.365 3.960 -0.024 0.000 0.308 373 G C -3.259 171.528 174.900 -0.190 0.000 1.286 373 G CA -0.640 44.103 45.100 -0.595 0.000 0.825 373 G HN -0.096 nan 8.290 nan 0.000 0.479 374 P HA 0.324 nan 4.420 nan 0.000 0.274 374 P C -2.632 174.629 177.300 -0.064 0.000 1.231 374 P CA -1.082 61.817 63.100 -0.335 0.000 0.790 374 P CB 1.125 32.436 31.700 -0.649 0.000 0.951 375 P HA 0.014 nan 4.420 nan 0.000 0.274 375 P C 1.119 178.339 177.300 -0.133 0.000 1.237 375 P CA -0.114 62.944 63.100 -0.070 0.000 0.793 375 P CB 0.484 32.152 31.700 -0.054 0.000 0.977 376 S N 1.224 116.822 115.700 -0.170 0.000 2.370 376 S HA -0.216 4.240 4.470 -0.024 0.000 0.226 376 S C 1.468 175.932 174.600 -0.225 0.000 1.033 376 S CA 1.167 59.165 58.200 -0.337 0.000 1.011 376 S CB -1.166 61.879 63.200 -0.259 0.000 0.852 376 S HN 0.581 nan 8.310 nan 0.000 0.457 377 E N 2.422 122.643 120.200 0.034 0.000 2.209 377 E HA -0.101 4.235 4.350 -0.024 0.000 0.196 377 E C 2.185 178.839 176.600 0.091 0.000 0.993 377 E CA 1.223 57.719 56.400 0.160 0.000 0.819 377 E CB -0.579 29.192 29.700 0.119 0.000 0.745 377 E HN 0.747 nan 8.360 nan 0.000 0.477 378 A N 0.981 123.803 122.820 0.003 0.000 2.067 378 A HA 0.050 4.356 4.320 -0.024 0.000 0.217 378 A C 2.166 179.762 177.584 0.021 0.000 1.156 378 A CA 0.690 52.736 52.037 0.015 0.000 0.683 378 A CB -0.253 18.721 19.000 -0.043 0.000 0.808 378 A HN 0.129 nan 8.150 nan 0.000 0.455 379 M N -2.918 116.630 119.600 -0.086 0.000 2.486 379 M HA 0.032 4.498 4.480 -0.024 0.000 0.264 379 M C 1.866 178.115 176.300 -0.085 0.000 1.125 379 M CA 0.534 55.753 55.300 -0.135 0.000 1.144 379 M CB -0.120 32.293 32.600 -0.312 0.000 1.353 379 M HN 0.630 nan 8.290 nan 0.000 0.466 380 W N 0.396 121.698 121.300 0.003 0.000 2.418 380 W HA -0.020 4.625 4.660 -0.025 0.000 0.292 380 W C 2.590 179.107 176.519 -0.004 0.000 1.213 380 W CA 0.705 58.044 57.345 -0.009 0.000 1.283 380 W CB -0.016 29.433 29.460 -0.018 0.000 1.119 380 W HN 0.181 nan 8.180 nan 0.000 0.542 381 A N -0.119 122.837 122.820 0.227 0.000 1.898 381 A HA -0.120 4.186 4.320 -0.024 0.000 0.214 381 A C 1.833 179.463 177.584 0.077 0.000 1.183 381 A CA 1.107 53.217 52.037 0.122 0.000 0.622 381 A CB -0.834 18.212 19.000 0.077 0.000 0.824 381 A HN 0.308 nan 8.150 nan 0.000 0.444 382 L N -1.127 120.138 121.223 0.071 0.000 2.240 382 L HA 0.238 4.563 4.340 -0.024 0.000 0.211 382 L C 1.515 178.430 176.870 0.075 0.000 1.106 382 L CA 1.153 56.020 54.840 0.044 0.000 0.793 382 L CB -0.512 41.578 42.059 0.052 0.000 0.927 382 L HN 0.647 nan 8.230 nan 0.000 0.446 383 G N 0.128 108.996 108.800 0.113 0.000 2.578 383 G HA2 -0.407 3.539 3.960 -0.024 0.000 0.284 383 G HA3 -0.407 3.539 3.960 -0.024 0.000 0.284 383 G C -0.071 174.898 174.900 0.116 0.000 1.283 383 G CA 0.324 45.516 45.100 0.153 0.000 0.944 383 G HN 0.595 nan 8.290 nan 0.000 0.558 384 D N -0.112 120.382 120.400 0.155 0.000 2.301 384 D HA 0.280 4.906 4.640 -0.024 0.000 0.287 384 D C 1.677 177.988 176.300 0.019 0.000 1.179 384 D CA 0.544 54.606 54.000 0.104 0.000 1.060 384 D CB -0.100 40.798 40.800 0.164 0.000 1.135 384 D HN 0.525 nan 8.370 nan 0.000 0.531 385 K N -0.526 119.832 120.400 -0.071 0.000 2.116 385 K HA 0.089 4.395 4.320 -0.024 0.000 0.203 385 K C 2.135 178.466 176.600 -0.448 0.000 1.052 385 K CA 0.853 56.991 56.287 -0.249 0.000 0.952 385 K CB -0.519 31.802 32.500 -0.298 0.000 0.729 385 K HN 0.459 nan 8.250 nan 0.000 0.446 386 I N 0.550 120.838 120.570 -0.470 0.000 2.142 386 I HA -0.249 3.906 4.170 -0.024 0.000 0.240 386 I C 2.336 178.375 176.117 -0.129 0.000 1.078 386 I CA 1.267 62.306 61.300 -0.435 0.000 1.343 386 I CB -0.561 37.062 38.000 -0.627 0.000 1.046 386 I HN 0.253 nan 8.210 nan 0.000 0.405 387 A N 1.183 124.044 122.820 0.069 0.000 1.858 387 A HA -0.246 4.060 4.320 -0.024 0.000 0.216 387 A C 2.531 180.137 177.584 0.036 0.000 1.190 387 A CA 2.557 54.691 52.037 0.162 0.000 0.617 387 A CB -1.042 18.105 19.000 0.244 0.000 0.827 387 A HN 0.537 nan 8.150 nan 0.000 0.443 388 S N -0.932 114.769 115.700 0.001 0.000 2.382 388 S HA -0.152 4.304 4.470 -0.024 0.000 0.228 388 S C 1.813 176.342 174.600 -0.119 0.000 1.027 388 S CA 1.966 60.143 58.200 -0.038 0.000 0.991 388 S CB -1.197 62.057 63.200 0.090 0.000 0.823 388 S HN 0.510 nan 8.310 nan 0.000 0.469 389 T N 2.113 116.603 114.554 -0.106 0.000 2.777 389 T HA 0.033 4.369 4.350 -0.024 0.000 0.266 389 T C 1.904 176.575 174.700 -0.048 0.000 1.040 389 T CA 1.227 63.223 62.100 -0.173 0.000 1.141 389 T CB -0.559 67.869 68.868 -0.735 0.000 0.868 389 T HN 0.272 nan 8.240 nan 0.000 0.444 390 V N 1.296 121.254 119.914 0.073 0.000 2.343 390 V HA -0.148 3.957 4.120 -0.024 0.000 0.247 390 V C 2.649 178.747 176.094 0.007 0.000 1.051 390 V CA 1.317 63.708 62.300 0.151 0.000 1.036 390 V CB -0.602 31.320 31.823 0.165 0.000 0.654 390 V HN 0.310 nan 8.190 nan 0.000 0.451 391 V N 0.131 119.995 119.914 -0.082 0.000 2.343 391 V HA -0.245 3.861 4.120 -0.024 0.000 0.247 391 V C 2.678 178.627 176.094 -0.242 0.000 1.051 391 V CA 1.939 64.134 62.300 -0.175 0.000 1.036 391 V CB -1.044 30.651 31.823 -0.212 0.000 0.654 391 V HN 0.569 nan 8.190 nan 0.000 0.451 392 A N -0.784 121.829 122.820 -0.347 0.000 1.908 392 A HA -0.311 3.995 4.320 -0.024 0.000 0.218 392 A C 2.161 179.636 177.584 -0.182 0.000 1.181 392 A CA 2.071 53.851 52.037 -0.428 0.000 0.627 392 A CB -0.496 18.032 19.000 -0.787 0.000 0.818 392 A HN 0.625 nan 8.150 nan 0.000 0.445 393 Q N -1.061 118.694 119.800 -0.075 0.000 2.124 393 Q HA -0.118 4.208 4.340 -0.024 0.000 0.202 393 Q C 2.159 178.164 176.000 0.008 0.000 0.977 393 Q CA 1.866 57.680 55.803 0.018 0.000 0.850 393 Q CB -0.368 28.432 28.738 0.102 0.000 0.901 393 Q HN 0.667 nan 8.270 nan 0.000 0.429 394 T N 1.213 115.756 114.554 -0.019 0.000 2.788 394 T HA -0.082 4.253 4.350 -0.024 0.000 0.268 394 T C 1.401 176.103 174.700 0.003 0.000 1.044 394 T CA 0.890 62.990 62.100 0.001 0.000 1.139 394 T CB -0.059 68.785 68.868 -0.040 0.000 0.867 394 T HN 0.205 nan 8.240 nan 0.000 0.454 395 L N 0.878 122.063 121.223 -0.063 0.000 2.645 395 L HA 0.206 4.531 4.340 -0.024 0.000 0.234 395 L C 0.548 177.419 176.870 0.002 0.000 1.165 395 L CA 0.135 54.954 54.840 -0.036 0.000 0.944 395 L CB -0.644 41.348 42.059 -0.111 0.000 1.149 395 L HN 0.296 nan 8.230 nan 0.000 0.446 396 Q N -0.343 119.467 119.800 0.017 0.000 2.468 396 Q HA -0.174 4.152 4.340 -0.024 0.000 0.289 396 Q C -0.536 175.489 176.000 0.041 0.000 1.299 396 Q CA 0.123 55.952 55.803 0.043 0.000 0.838 396 Q CB -1.487 27.295 28.738 0.072 0.000 1.195 396 Q HN 0.299 nan 8.270 nan 0.000 0.456 397 V N 0.843 120.759 119.914 0.003 0.000 2.439 397 V HA 0.328 4.433 4.120 -0.024 0.000 0.282 397 V C -1.796 174.322 176.094 0.041 0.000 1.039 397 V CA -1.655 60.659 62.300 0.022 0.000 0.913 397 V CB 1.397 33.215 31.823 -0.010 0.000 0.983 397 V HN 0.076 nan 8.190 nan 0.000 0.460 398 P HA 0.197 nan 4.420 nan 0.000 0.265 398 P C -0.231 177.185 177.300 0.193 0.000 1.193 398 P CA 0.287 63.384 63.100 -0.005 0.000 0.765 398 P CB 0.321 31.807 31.700 -0.356 0.000 0.823 399 T N 0.049 114.769 114.554 0.277 0.000 2.883 399 T HA 0.598 4.934 4.350 -0.024 0.000 0.296 399 T C -0.256 174.565 174.700 0.203 0.000 1.117 399 T CA -1.036 61.224 62.100 0.266 0.000 1.006 399 T CB 0.631 69.606 68.868 0.178 0.000 1.191 399 T HN 0.067 nan 8.240 nan 0.000 0.508 400 L N 1.377 122.615 121.223 0.025 0.000 2.436 400 L HA 0.407 4.733 4.340 -0.024 0.000 0.265 400 L C -2.199 174.743 176.870 0.120 0.000 1.168 400 L CA -2.325 52.457 54.840 -0.097 0.000 0.815 400 L CB 0.446 42.428 42.059 -0.128 0.000 1.109 400 L HN 0.480 nan 8.230 nan 0.000 0.462 401 P HA -0.018 nan 4.420 nan 0.000 0.267 401 P C -1.180 176.301 177.300 0.301 0.000 1.209 401 P CA 0.198 63.403 63.100 0.175 0.000 0.763 401 P CB 0.258 31.991 31.700 0.054 0.000 0.816 402 W N 1.024 122.327 121.300 0.004 0.000 2.988 402 W HA 0.268 4.928 4.660 0.001 0.000 0.355 402 W C 0.410 176.947 176.519 0.029 0.000 1.233 402 W CA -0.974 56.395 57.345 0.040 0.000 1.176 402 W CB 0.023 29.537 29.460 0.090 0.000 1.477 402 W HN 0.332 nan 8.180 nan 0.000 0.582 403 S N -0.363 115.303 115.700 -0.057 0.000 2.571 403 S HA 0.033 4.489 4.470 -0.024 0.000 0.245 403 S C 1.249 175.392 174.600 -0.763 0.000 0.976 403 S CA 1.376 59.408 58.200 -0.281 0.000 0.954 403 S CB -0.614 62.568 63.200 -0.029 0.000 0.756 403 S HN 0.915 nan 8.310 nan 0.000 0.535 404 G N 0.172 107.836 108.800 -1.894 0.000 3.192 404 G HA2 0.298 4.243 3.960 -0.024 0.000 0.239 404 G HA3 0.298 4.243 3.960 -0.024 0.000 0.239 404 G C 0.072 174.170 174.900 -1.338 0.000 1.084 404 G CA -0.429 43.398 45.100 -2.121 0.000 0.784 404 G HN 0.422 nan 8.290 nan 0.000 0.540 405 S N 0.229 115.252 115.700 -1.127 0.000 2.573 405 S HA 0.362 4.817 4.470 -0.024 0.000 0.297 405 S C 1.622 176.124 174.600 -0.162 0.000 1.280 405 S CA 1.251 59.287 58.200 -0.273 0.000 1.061 405 S CB 0.584 63.725 63.200 -0.099 0.000 0.812 405 S HN 1.340 nan 8.310 nan 0.000 0.500 406 G N 2.071 110.859 108.800 -0.020 0.000 2.268 406 G HA2 -0.231 3.715 3.960 -0.024 0.000 0.240 406 G HA3 -0.231 3.715 3.960 -0.024 0.000 0.240 406 G C 0.072 174.963 174.900 -0.016 0.000 1.010 406 G CA -0.086 45.003 45.100 -0.019 0.000 0.618 406 G HN 0.607 nan 8.290 nan 0.000 0.516 407 L N 2.189 123.388 121.223 -0.040 0.000 2.416 407 L HA 0.567 4.893 4.340 -0.024 0.000 0.272 407 L C 0.996 177.892 176.870 0.043 0.000 1.161 407 L CA 0.708 55.538 54.840 -0.016 0.000 0.845 407 L CB 0.965 42.991 42.059 -0.054 0.000 1.119 407 L HN 0.509 nan 8.230 nan 0.000 0.464 408 T N -0.379 114.202 114.554 0.044 0.000 2.843 408 T HA 0.671 5.007 4.350 -0.024 0.000 0.302 408 T C -0.568 174.173 174.700 0.069 0.000 1.232 408 T CA -0.793 61.342 62.100 0.059 0.000 1.009 408 T CB 1.782 70.687 68.868 0.062 0.000 1.254 408 T HN 0.147 nan 8.240 nan 0.000 0.504 409 V N 1.388 121.353 119.914 0.084 0.000 2.975 409 V HA 0.463 4.569 4.120 -0.024 0.000 0.318 409 V C 0.375 176.567 176.094 0.164 0.000 1.077 409 V CA -1.184 61.182 62.300 0.111 0.000 1.000 409 V CB 1.640 33.523 31.823 0.100 0.000 1.066 409 V HN 1.083 nan 8.190 nan 0.000 0.452 410 E N 3.121 123.423 120.200 0.170 0.000 2.328 410 E HA 0.194 4.529 4.350 -0.024 0.000 0.265 410 E C -0.824 175.960 176.600 0.307 0.000 1.057 410 E CA -0.083 56.419 56.400 0.171 0.000 0.916 410 E CB 0.979 30.746 29.700 0.112 0.000 0.993 410 E HN 0.665 nan 8.360 nan 0.000 0.446 419 G N 2.424 111.261 108.800 0.062 0.000 2.545 419 G HA2 -0.252 3.693 3.960 -0.024 0.000 0.216 419 G HA3 -0.252 3.693 3.960 -0.024 0.000 0.216 419 G C -0.938 174.041 174.900 0.133 0.000 1.314 419 G CA -0.068 45.091 45.100 0.099 0.000 0.906 419 G HN 0.417 nan 8.290 nan 0.000 0.563 420 K N -0.314 120.168 120.400 0.138 0.000 6.228 420 K HA -0.161 4.145 4.320 -0.024 0.000 0.581 420 K C 1.024 177.810 176.600 0.311 0.000 1.437 420 K CA 1.202 57.592 56.287 0.172 0.000 1.549 420 K CB -0.629 31.949 32.500 0.130 0.000 1.807 420 K HN 1.110 nan 8.250 nan 0.000 0.358 421 R N 3.530 124.167 120.500 0.228 0.000 2.784 421 R HA 0.197 4.522 4.340 -0.024 0.000 0.266 421 R C 0.818 177.208 176.300 0.150 0.000 1.044 421 R CA -0.371 55.837 56.100 0.180 0.000 1.151 421 R CB 0.468 30.817 30.300 0.082 0.000 1.037 421 R HN 0.497 nan 8.270 nan 0.000 0.478 422 I N 1.161 121.607 120.570 -0.206 0.000 2.779 422 I HA 0.040 4.196 4.170 -0.024 0.000 0.285 422 I C -0.076 175.990 176.117 -0.085 0.000 1.134 422 I CA 0.330 61.430 61.300 -0.333 0.000 1.398 422 I CB 0.977 38.414 38.000 -0.938 0.000 1.404 422 I HN 0.996 nan 8.210 nan 0.000 0.587 423 S N 5.785 121.490 115.700 0.008 0.000 2.627 423 S HA 0.645 5.101 4.470 -0.024 0.000 0.283 423 S C -1.143 173.488 174.600 0.051 0.000 1.127 423 S CA -0.801 57.423 58.200 0.040 0.000 0.863 423 S CB 1.905 65.145 63.200 0.066 0.000 1.121 423 S HN 0.384 nan 8.310 nan 0.000 0.479 424 V N 2.561 122.515 119.914 0.067 0.000 2.357 424 V HA 0.472 4.577 4.120 -0.024 0.000 0.284 424 V C -2.411 173.737 176.094 0.090 0.000 1.018 424 V CA -1.639 60.720 62.300 0.098 0.000 0.841 424 V CB 0.790 32.709 31.823 0.161 0.000 0.991 424 V HN 0.828 nan 8.190 nan 0.000 0.437 425 P HA 0.088 nan 4.420 nan 0.000 0.266 425 P C 0.975 178.323 177.300 0.081 0.000 1.195 425 P CA -0.031 63.108 63.100 0.064 0.000 0.768 425 P CB 0.811 32.549 31.700 0.063 0.000 0.838 426 E N 2.092 122.315 120.200 0.038 0.000 2.160 426 E HA -0.237 4.099 4.350 -0.024 0.000 0.195 426 E C 0.912 177.571 176.600 0.099 0.000 0.991 426 E CA 1.403 57.826 56.400 0.039 0.000 0.810 426 E CB 0.061 29.752 29.700 -0.015 0.000 0.742 426 E HN 0.556 nan 8.360 nan 0.000 0.466 427 D N -0.400 120.045 120.400 0.074 0.000 2.224 427 D HA -0.102 4.524 4.640 -0.024 0.000 0.205 427 D C 1.973 178.323 176.300 0.082 0.000 0.965 427 D CA 0.560 54.602 54.000 0.070 0.000 0.852 427 D CB -0.063 40.764 40.800 0.046 0.000 0.947 427 D HN 0.141 nan 8.370 nan 0.000 0.494 428 V N 0.365 120.338 119.914 0.100 0.000 2.446 428 V HA -0.196 3.909 4.120 -0.024 0.000 0.244 428 V C 2.304 178.472 176.094 0.122 0.000 1.039 428 V CA 0.923 63.276 62.300 0.090 0.000 1.045 428 V CB -0.937 30.941 31.823 0.092 0.000 0.681 428 V HN 0.076 nan 8.190 nan 0.000 0.459 429 Y N 1.847 122.171 120.300 0.040 0.000 2.081 429 Y HA -0.307 4.229 4.550 -0.023 0.000 0.280 429 Y C 2.451 178.385 175.900 0.056 0.000 1.163 429 Y CA 2.253 60.389 58.100 0.059 0.000 1.135 429 Y CB -0.346 38.151 38.460 0.061 0.000 0.970 429 Y HN 0.319 nan 8.280 nan 0.000 0.498 430 D N 0.092 120.661 120.400 0.283 0.000 2.190 430 D HA -0.190 4.435 4.640 -0.024 0.000 0.200 430 D C 1.836 178.172 176.300 0.060 0.000 0.992 430 D CA 1.541 55.649 54.000 0.180 0.000 0.854 430 D CB -0.291 40.597 40.800 0.147 0.000 0.936 430 D HN 0.456 nan 8.370 nan 0.000 0.462 431 K N 0.036 120.446 120.400 0.017 0.000 2.362 431 K HA -0.008 4.298 4.320 -0.024 0.000 0.200 431 K C 1.880 178.399 176.600 -0.135 0.000 1.046 431 K CA 0.860 57.119 56.287 -0.046 0.000 0.952 431 K CB 0.028 32.497 32.500 -0.051 0.000 0.753 431 K HN 0.106 nan 8.250 nan 0.000 0.466 432 G N 0.131 108.827 108.800 -0.174 0.000 2.939 432 G HA2 -0.010 3.936 3.960 -0.024 0.000 0.210 432 G HA3 -0.010 3.936 3.960 -0.024 0.000 0.210 432 G C 0.304 175.136 174.900 -0.113 0.000 1.160 432 G CA -0.247 44.658 45.100 -0.326 0.000 0.770 432 G HN 0.171 nan 8.290 nan 0.000 0.543 433 C N 0.099 119.393 119.300 -0.011 0.000 2.349 433 C HA 0.709 5.155 4.460 -0.024 0.000 0.361 433 C C 0.247 175.315 174.990 0.130 0.000 1.189 433 C CA -0.944 58.150 59.018 0.126 0.000 2.155 433 C CB 1.318 29.152 27.740 0.156 0.000 2.336 433 C HN 0.280 nan 8.230 nan 0.000 0.540 434 V N 0.399 120.441 119.914 0.214 0.000 2.407 434 V HA 0.510 4.615 4.120 -0.024 0.000 0.291 434 V C -0.153 176.122 176.094 0.301 0.000 1.018 434 V CA -0.485 61.947 62.300 0.220 0.000 0.842 434 V CB 1.160 33.146 31.823 0.272 0.000 0.996 434 V HN 0.824 nan 8.190 nan 0.000 0.426 435 K N 2.410 122.936 120.400 0.211 0.000 2.400 435 K HA 0.235 4.541 4.320 -0.024 0.000 0.194 435 K C 0.044 176.803 176.600 0.265 0.000 1.033 435 K CA 0.882 57.303 56.287 0.224 0.000 1.021 435 K CB -0.081 32.501 32.500 0.137 0.000 0.808 435 K HN 1.107 nan 8.250 nan 0.000 0.505 436 D N -4.115 116.383 120.400 0.162 0.000 2.622 436 D HA 0.083 4.709 4.640 -0.024 0.000 0.255 436 D C 0.407 176.469 176.300 -0.396 0.000 1.246 436 D CA -0.819 53.189 54.000 0.013 0.000 0.795 436 D CB 0.853 41.673 40.800 0.033 0.000 1.369 436 D HN -0.271 nan 8.370 nan 0.000 0.425 437 V N 0.484 120.131 119.914 -0.446 0.000 2.392 437 V HA -0.221 3.884 4.120 -0.024 0.000 0.249 437 V C 1.345 177.348 176.094 -0.152 0.000 1.059 437 V CA 2.188 64.234 62.300 -0.422 0.000 1.051 437 V CB -0.674 31.054 31.823 -0.157 0.000 0.658 437 V HN 0.613 nan 8.190 nan 0.000 0.455 438 D N 0.413 120.752 120.400 -0.102 0.000 2.078 438 D HA -0.192 4.434 4.640 -0.024 0.000 0.193 438 D C 2.228 178.478 176.300 -0.084 0.000 0.990 438 D CA 1.828 55.790 54.000 -0.064 0.000 0.827 438 D CB -0.342 40.435 40.800 -0.037 0.000 0.975 438 D HN 0.792 nan 8.370 nan 0.000 0.451 439 E N 0.317 120.470 120.200 -0.080 0.000 2.204 439 E HA -0.050 4.286 4.350 -0.024 0.000 0.194 439 E C 2.134 178.669 176.600 -0.108 0.000 0.989 439 E CA 1.169 57.523 56.400 -0.076 0.000 0.824 439 E CB -0.558 29.119 29.700 -0.040 0.000 0.756 439 E HN 0.194 nan 8.360 nan 0.000 0.477 440 G N 1.583 110.307 108.800 -0.126 0.000 2.432 440 G HA2 -0.187 3.758 3.960 -0.024 0.000 0.219 440 G HA3 -0.187 3.758 3.960 -0.024 0.000 0.219 440 G C 1.588 176.213 174.900 -0.460 0.000 1.135 440 G CA 0.608 45.645 45.100 -0.105 0.000 0.767 440 G HN 0.201 nan 8.290 nan 0.000 0.550 441 L N -0.049 120.959 121.223 -0.359 0.000 2.156 441 L HA 0.031 4.357 4.340 -0.024 0.000 0.208 441 L C 2.878 179.574 176.870 -0.290 0.000 1.095 441 L CA 0.824 55.416 54.840 -0.413 0.000 0.770 441 L CB -0.221 41.743 42.059 -0.159 0.000 0.914 441 L HN 0.318 nan 8.230 nan 0.000 0.439 442 E N 0.146 120.226 120.200 -0.200 0.000 2.072 442 E HA -0.173 4.163 4.350 -0.024 0.000 0.191 442 E C 2.261 178.753 176.600 -0.180 0.000 0.985 442 E CA 1.096 57.405 56.400 -0.152 0.000 0.801 442 E CB -0.131 29.506 29.700 -0.106 0.000 0.750 442 E HN 0.473 nan 8.360 nan 0.000 0.452 443 A N 1.596 124.296 122.820 -0.199 0.000 1.969 443 A HA -0.000 4.305 4.320 -0.024 0.000 0.218 443 A C 2.376 179.804 177.584 -0.260 0.000 1.169 443 A CA 1.401 53.325 52.037 -0.190 0.000 0.635 443 A CB -0.428 18.488 19.000 -0.139 0.000 0.810 443 A HN 0.266 nan 8.150 nan 0.000 0.445 444 A N -0.477 122.103 122.820 -0.401 0.000 2.014 444 A HA -0.059 4.246 4.320 -0.024 0.000 0.218 444 A C 1.881 179.139 177.584 -0.543 0.000 1.163 444 A CA 1.459 53.149 52.037 -0.578 0.000 0.652 444 A CB -0.279 18.214 19.000 -0.845 0.000 0.808 444 A HN 0.419 nan 8.150 nan 0.000 0.449 445 E N 0.510 120.513 120.200 -0.328 0.000 2.072 445 E HA -0.190 4.145 4.350 -0.024 0.000 0.191 445 E C 2.257 178.749 176.600 -0.181 0.000 0.985 445 E CA 1.546 57.823 56.400 -0.205 0.000 0.801 445 E CB -0.402 29.226 29.700 -0.119 0.000 0.750 445 E HN 0.867 nan 8.360 nan 0.000 0.452 446 R N 0.419 120.818 120.500 -0.169 0.000 2.119 446 R HA 0.094 4.420 4.340 -0.024 0.000 0.222 446 R C 2.440 178.658 176.300 -0.136 0.000 1.088 446 R CA 0.889 56.913 56.100 -0.127 0.000 0.984 446 R CB -0.593 29.643 30.300 -0.107 0.000 0.884 446 R HN 0.116 nan 8.270 nan 0.000 0.447 447 I N 1.284 121.743 120.570 -0.185 0.000 2.252 447 I HA -0.024 4.132 4.170 -0.024 0.000 0.245 447 I C 1.011 177.013 176.117 -0.191 0.000 1.102 447 I CA 1.288 62.492 61.300 -0.161 0.000 1.385 447 I CB -0.669 37.233 38.000 -0.164 0.000 1.064 447 I HN 0.523 nan 8.210 nan 0.000 0.414 448 G N 0.490 109.093 108.800 -0.328 0.000 2.705 448 G HA2 -0.194 3.751 3.960 -0.024 0.000 0.686 448 G HA3 -0.194 3.751 3.960 -0.024 0.000 0.686 448 G C -0.736 173.946 174.900 -0.364 0.000 1.285 448 G CA -0.905 44.024 45.100 -0.286 0.000 0.800 448 G HN 0.020 nan 8.290 nan 0.000 0.611 449 F N 2.143 122.101 119.950 0.012 0.000 2.432 449 F HA 0.672 5.187 4.527 -0.019 0.000 0.329 449 F C -0.734 175.085 175.800 0.032 0.000 1.076 449 F CA -1.600 56.418 58.000 0.029 0.000 1.018 449 F CB 1.469 40.489 39.000 0.032 0.000 1.201 449 F HN 0.469 nan 8.300 nan 0.000 0.489 450 P HA 0.465 nan 4.420 nan 0.000 0.277 450 P C -1.469 175.951 177.300 0.199 0.000 1.240 450 P CA -0.280 62.990 63.100 0.282 0.000 0.798 450 P CB 1.430 33.229 31.700 0.166 0.000 0.979 451 L N -0.826 120.549 121.223 0.253 0.000 2.479 451 L HA 0.658 4.983 4.340 -0.024 0.000 0.255 451 L C -0.755 176.222 176.870 0.178 0.000 1.026 451 L CA -1.038 53.893 54.840 0.152 0.000 0.842 451 L CB 1.072 43.159 42.059 0.047 0.000 1.444 451 L HN 0.080 nan 8.230 nan 0.000 0.409 452 M N 2.233 121.907 119.600 0.123 0.000 2.336 452 M HA 0.549 5.015 4.480 -0.024 0.000 0.342 452 M C -0.743 175.581 176.300 0.039 0.000 1.128 452 M CA -0.349 54.998 55.300 0.078 0.000 1.016 452 M CB 1.516 34.135 32.600 0.032 0.000 1.665 452 M HN 0.586 nan 8.290 nan 0.000 0.445 453 I N 3.544 124.123 120.570 0.014 0.000 2.312 453 I HA 0.336 4.492 4.170 -0.024 0.000 0.290 453 I C -0.054 175.936 176.117 -0.212 0.000 1.008 453 I CA -0.417 60.859 61.300 -0.040 0.000 1.226 453 I CB 0.729 38.727 38.000 -0.003 0.000 1.371 453 I HN 0.528 nan 8.210 nan 0.000 0.468 454 K N 5.158 125.281 120.400 -0.461 0.000 2.371 454 K HA 0.781 5.087 4.320 -0.024 0.000 0.251 454 K C -0.916 175.395 176.600 -0.482 0.000 0.934 454 K CA -0.816 55.149 56.287 -0.537 0.000 0.798 454 K CB 2.696 34.743 32.500 -0.756 0.000 1.204 454 K HN 0.602 nan 8.250 nan 0.000 0.427 455 A N 1.367 124.067 122.820 -0.201 0.000 2.249 455 A HA 0.248 4.554 4.320 -0.024 0.000 0.314 455 A C 1.146 178.798 177.584 0.113 0.000 1.290 455 A CA -0.508 51.507 52.037 -0.037 0.000 0.893 455 A CB 0.444 19.413 19.000 -0.051 0.000 1.165 455 A HN 0.862 nan 8.150 nan 0.000 0.530 456 S N 2.329 118.212 115.700 0.305 0.000 2.380 456 S HA -0.260 4.196 4.470 -0.024 0.000 0.229 456 S C 1.021 175.737 174.600 0.193 0.000 1.043 456 S CA 1.968 60.375 58.200 0.346 0.000 1.038 456 S CB -0.564 62.856 63.200 0.367 0.000 0.872 456 S HN 0.795 nan 8.310 nan 0.000 0.456 457 E N 1.764 122.051 120.200 0.144 0.000 2.516 457 E HA 0.160 4.496 4.350 -0.024 0.000 0.199 457 E C 1.103 177.741 176.600 0.062 0.000 1.069 457 E CA 0.227 56.685 56.400 0.097 0.000 0.876 457 E CB -0.313 29.435 29.700 0.080 0.000 0.843 457 E HN 0.673 nan 8.360 nan 0.000 0.530 458 G N 0.554 109.385 108.800 0.052 0.000 2.504 458 G HA2 0.536 4.482 3.960 -0.024 0.000 0.288 458 G HA3 0.536 4.482 3.960 -0.024 0.000 0.288 458 G C -0.140 174.768 174.900 0.013 0.000 1.182 458 G CA 0.139 45.248 45.100 0.016 0.000 0.894 458 G HN 0.180 nan 8.290 nan 0.000 0.521 459 G N -2.485 106.309 108.800 -0.009 0.000 2.411 459 G HA2 0.557 4.502 3.960 -0.024 0.000 0.295 459 G HA3 0.557 4.502 3.960 -0.024 0.000 0.295 459 G C 0.259 175.141 174.900 -0.030 0.000 1.542 459 G CA 0.480 45.568 45.100 -0.020 0.000 0.814 459 G HN 2.049 nan 8.290 nan 0.000 0.557 460 G N -1.036 107.736 108.800 -0.047 0.000 2.246 460 G HA2 0.357 4.302 3.960 -0.024 0.000 0.273 460 G HA3 0.357 4.302 3.960 -0.024 0.000 0.273 460 G C 1.777 176.650 174.900 -0.045 0.000 1.055 460 G CA 1.322 46.400 45.100 -0.037 0.000 0.851 460 G HN 2.864 nan 8.290 nan 0.000 0.500 461 G N -1.658 107.085 108.800 -0.095 0.000 2.179 461 G HA2 -0.259 3.687 3.960 -0.024 0.000 0.260 461 G HA3 -0.259 3.687 3.960 -0.024 0.000 0.260 461 G C 0.397 175.266 174.900 -0.051 0.000 0.977 461 G CA 1.025 46.081 45.100 -0.074 0.000 0.641 461 G HN 0.907 nan 8.290 nan 0.000 0.533 462 K N 0.210 120.580 120.400 -0.050 0.000 2.159 462 K HA 0.546 4.851 4.320 -0.024 0.000 0.266 462 K C 1.166 177.734 176.600 -0.053 0.000 0.975 462 K CA 0.104 56.367 56.287 -0.040 0.000 0.865 462 K CB 1.240 33.726 32.500 -0.023 0.000 1.087 462 K HN 1.233 nan 8.250 nan 0.000 0.446 463 G N 2.405 111.169 108.800 -0.059 0.000 2.198 463 G HA2 -0.253 3.693 3.960 -0.024 0.000 0.260 463 G HA3 -0.253 3.693 3.960 -0.024 0.000 0.260 463 G C 0.031 174.869 174.900 -0.104 0.000 1.025 463 G CA 0.197 45.249 45.100 -0.080 0.000 0.769 463 G HN 0.522 nan 8.290 nan 0.000 0.507 464 I N -1.102 119.413 120.570 -0.093 0.000 2.646 464 I HA 0.816 4.972 4.170 -0.024 0.000 0.299 464 I C 0.178 176.256 176.117 -0.065 0.000 1.036 464 I CA -1.254 59.987 61.300 -0.098 0.000 1.074 464 I CB 2.296 40.235 38.000 -0.102 0.000 1.258 464 I HN 0.036 nan 8.210 nan 0.000 0.430 465 R N 3.577 124.045 120.500 -0.053 0.000 2.594 465 R HA 0.315 4.641 4.340 -0.024 0.000 0.265 465 R C -1.400 174.910 176.300 0.016 0.000 1.070 465 R CA -0.884 55.203 56.100 -0.023 0.000 0.909 465 R CB 1.759 32.028 30.300 -0.051 0.000 1.243 465 R HN 0.527 nan 8.270 nan 0.000 0.455 466 K N 2.113 122.538 120.400 0.042 0.000 2.213 466 K HA 0.759 5.065 4.320 -0.024 0.000 0.270 466 K C -1.119 175.542 176.600 0.102 0.000 1.002 466 K CA -0.484 55.852 56.287 0.081 0.000 0.868 466 K CB 1.362 33.906 32.500 0.074 0.000 1.093 466 K HN 0.649 nan 8.250 nan 0.000 0.454 467 A N 4.155 127.089 122.820 0.191 0.000 2.292 467 A HA 0.258 4.564 4.320 -0.024 0.000 0.319 467 A C 0.105 177.803 177.584 0.190 0.000 1.206 467 A CA -0.530 51.640 52.037 0.222 0.000 0.835 467 A CB 0.668 19.968 19.000 0.499 0.000 1.164 467 A HN 0.987 nan 8.150 nan 0.000 0.505 468 E N 0.914 121.099 120.200 -0.025 0.000 2.389 468 E HA 0.083 4.419 4.350 -0.024 0.000 0.199 468 E C 0.337 176.697 176.600 -0.400 0.000 0.978 468 E CA 0.820 57.177 56.400 -0.072 0.000 0.912 468 E CB 0.382 30.058 29.700 -0.041 0.000 0.907 468 E HN 0.749 nan 8.360 nan 0.000 0.494 469 S N -1.293 113.942 115.700 -0.774 0.000 2.607 469 S HA 0.570 5.025 4.470 -0.024 0.000 0.273 469 S C 0.498 174.376 174.600 -1.202 0.000 1.148 469 S CA -0.357 57.209 58.200 -1.057 0.000 0.833 469 S CB 1.585 64.544 63.200 -0.402 0.000 1.130 469 S HN -0.017 nan 8.310 nan 0.000 0.470 470 A N 0.533 122.872 122.820 -0.802 0.000 2.067 470 A HA 0.049 4.354 4.320 -0.024 0.000 0.219 470 A C 1.655 179.223 177.584 -0.027 0.000 1.158 470 A CA 1.674 53.629 52.037 -0.137 0.000 0.661 470 A CB -0.969 18.102 19.000 0.118 0.000 0.801 470 A HN 0.847 nan 8.150 nan 0.000 0.452 471 E N 0.517 120.657 120.200 -0.099 0.000 2.107 471 E HA -0.096 4.240 4.350 -0.024 0.000 0.191 471 E C 1.179 177.776 176.600 -0.005 0.000 0.982 471 E CA 1.305 57.686 56.400 -0.032 0.000 0.809 471 E CB -0.118 29.553 29.700 -0.048 0.000 0.756 471 E HN 0.553 nan 8.360 nan 0.000 0.459 472 D N -0.503 119.872 120.400 -0.042 0.000 2.323 472 D HA -0.050 4.575 4.640 -0.024 0.000 0.209 472 D C 1.461 177.790 176.300 0.048 0.000 0.973 472 D CA 0.082 54.074 54.000 -0.012 0.000 0.874 472 D CB -0.102 40.671 40.800 -0.045 0.000 0.930 472 D HN 0.086 nan 8.370 nan 0.000 0.521 473 F N 2.405 122.339 119.950 -0.026 0.000 2.045 473 F HA -0.201 4.314 4.527 -0.020 0.000 0.297 473 F C -0.909 174.958 175.800 0.111 0.000 1.114 473 F CA 1.720 59.771 58.000 0.085 0.000 1.207 473 F CB -1.344 37.747 39.000 0.151 0.000 0.964 473 F HN -0.003 nan 8.300 nan 0.000 0.486 474 P HA -0.235 nan 4.420 nan 0.000 0.215 474 P C 1.843 179.136 177.300 -0.011 0.000 1.163 474 P CA 2.385 65.494 63.100 0.014 0.000 0.894 474 P CB -0.141 31.605 31.700 0.077 0.000 0.791 475 I N -1.567 118.997 120.570 -0.010 0.000 2.163 475 I HA -0.231 3.925 4.170 -0.024 0.000 0.243 475 I C 2.429 178.518 176.117 -0.046 0.000 1.085 475 I CA 1.600 62.891 61.300 -0.015 0.000 1.347 475 I CB -1.303 36.689 38.000 -0.013 0.000 1.044 475 I HN -0.135 nan 8.210 nan 0.000 0.408 476 L N -0.861 120.313 121.223 -0.082 0.000 2.046 476 L HA -0.223 4.103 4.340 -0.024 0.000 0.208 476 L C 2.575 179.353 176.870 -0.154 0.000 1.077 476 L CA 1.508 56.283 54.840 -0.108 0.000 0.747 476 L CB -0.794 41.207 42.059 -0.096 0.000 0.896 476 L HN 0.222 nan 8.230 nan 0.000 0.432 477 F N 1.032 120.723 119.950 -0.432 0.000 2.126 477 F HA -0.211 4.303 4.527 -0.022 0.000 0.299 477 F C 2.667 178.342 175.800 -0.208 0.000 1.096 477 F CA 1.526 59.272 58.000 -0.424 0.000 1.255 477 F CB -0.113 38.480 39.000 -0.677 0.000 0.997 477 F HN -0.152 nan 8.300 nan 0.000 0.479 478 R N -0.178 120.313 120.500 -0.015 0.000 2.148 478 R HA -0.088 4.238 4.340 -0.024 0.000 0.223 478 R C 2.243 178.473 176.300 -0.118 0.000 1.088 478 R CA 1.277 57.346 56.100 -0.051 0.000 0.985 478 R CB -0.334 30.000 30.300 0.056 0.000 0.880 478 R HN 0.455 nan 8.270 nan 0.000 0.451 479 Q N -0.014 119.720 119.800 -0.109 0.000 2.124 479 Q HA -0.116 4.210 4.340 -0.024 0.000 0.202 479 Q C 2.100 178.021 176.000 -0.132 0.000 0.977 479 Q CA 1.384 57.130 55.803 -0.096 0.000 0.850 479 Q CB 0.088 28.781 28.738 -0.075 0.000 0.901 479 Q HN 0.192 nan 8.270 nan 0.000 0.429 480 V N 1.008 120.802 119.914 -0.200 0.000 2.358 480 V HA -0.268 3.838 4.120 -0.024 0.000 0.246 480 V C 2.137 178.094 176.094 -0.228 0.000 1.047 480 V CA 1.728 63.895 62.300 -0.222 0.000 1.035 480 V CB -0.534 31.111 31.823 -0.296 0.000 0.658 480 V HN 0.358 nan 8.190 nan 0.000 0.452 481 Q N -0.143 119.477 119.800 -0.300 0.000 2.084 481 Q HA -0.178 4.148 4.340 -0.024 0.000 0.202 481 Q C 2.537 178.464 176.000 -0.122 0.000 0.978 481 Q CA 1.990 57.655 55.803 -0.230 0.000 0.844 481 Q CB -0.223 28.372 28.738 -0.239 0.000 0.898 481 Q HN 0.613 nan 8.270 nan 0.000 0.426 482 S N 0.653 116.293 115.700 -0.101 0.000 2.368 482 S HA -0.195 4.261 4.470 -0.024 0.000 0.225 482 S C 1.776 176.344 174.600 -0.053 0.000 1.030 482 S CA 1.284 59.448 58.200 -0.060 0.000 0.999 482 S CB -0.164 63.006 63.200 -0.049 0.000 0.844 482 S HN 0.363 nan 8.310 nan 0.000 0.459 483 E N 0.271 120.432 120.200 -0.065 0.000 2.028 483 E HA -0.055 4.281 4.350 -0.024 0.000 0.191 483 E C -0.035 176.539 176.600 -0.043 0.000 0.988 483 E CA 0.859 57.228 56.400 -0.051 0.000 0.799 483 E CB 0.189 29.854 29.700 -0.059 0.000 0.755 483 E HN 0.258 nan 8.360 nan 0.000 0.447 484 I N 2.640 123.178 120.570 -0.055 0.000 2.859 484 I HA 0.249 4.404 4.170 -0.024 0.000 0.296 484 I C -2.429 173.666 176.117 -0.037 0.000 1.300 484 I CA -2.167 59.111 61.300 -0.036 0.000 1.020 484 I CB 0.209 38.192 38.000 -0.030 0.000 1.823 484 I HN -0.021 nan 8.210 nan 0.000 0.599 485 P HA 0.076 nan 4.420 nan 0.000 0.265 485 P C 0.953 178.249 177.300 -0.007 0.000 1.193 485 P CA 0.985 64.070 63.100 -0.025 0.000 0.765 485 P CB 1.053 32.743 31.700 -0.017 0.000 0.823 486 G N 1.257 110.056 108.800 -0.001 0.000 2.179 486 G HA2 -0.239 3.707 3.960 -0.024 0.000 0.260 486 G HA3 -0.239 3.707 3.960 -0.024 0.000 0.260 486 G C 0.280 175.200 174.900 0.033 0.000 0.977 486 G CA 0.322 45.433 45.100 0.018 0.000 0.641 486 G HN 0.880 nan 8.290 nan 0.000 0.533 487 S N 0.823 116.539 115.700 0.027 0.000 2.578 487 S HA 0.711 5.167 4.470 -0.024 0.000 0.283 487 S C -2.106 172.544 174.600 0.083 0.000 1.195 487 S CA -1.009 57.225 58.200 0.057 0.000 1.050 487 S CB 1.488 64.715 63.200 0.045 0.000 1.012 487 S HN 0.104 nan 8.310 nan 0.000 0.511 488 P HA 0.371 nan 4.420 nan 0.000 0.271 488 P C -1.046 176.376 177.300 0.203 0.000 1.218 488 P CA -0.083 63.143 63.100 0.210 0.000 0.780 488 P CB 0.355 32.254 31.700 0.331 0.000 0.901 489 I N 2.988 123.679 120.570 0.202 0.000 2.545 489 I HA 0.489 4.644 4.170 -0.024 0.000 0.292 489 I C -0.280 176.017 176.117 0.300 0.000 1.040 489 I CA -0.858 60.536 61.300 0.156 0.000 1.068 489 I CB 1.332 39.335 38.000 0.005 0.000 1.251 489 I HN 0.322 nan 8.210 nan 0.000 0.424 490 F N 4.755 124.804 119.950 0.165 0.000 2.640 490 F HA 0.851 5.362 4.527 -0.027 0.000 0.324 490 F C -1.683 174.261 175.800 0.240 0.000 1.077 490 F CA -1.132 56.998 58.000 0.216 0.000 0.965 490 F CB 1.217 40.389 39.000 0.287 0.000 1.351 490 F HN 0.082 nan 8.300 nan 0.000 0.487 491 L N 2.491 123.947 121.223 0.389 0.000 2.362 491 L HA 0.686 5.011 4.340 -0.024 0.000 0.271 491 L C -0.837 176.269 176.870 0.394 0.000 1.002 491 L CA -0.815 54.180 54.840 0.259 0.000 0.818 491 L CB 2.053 44.244 42.059 0.221 0.000 1.298 491 L HN 0.866 nan 8.230 nan 0.000 0.420 492 M N 2.489 122.246 119.600 0.261 0.000 2.378 492 M HA 0.396 4.862 4.480 -0.024 0.000 0.289 492 M C -0.923 175.460 176.300 0.139 0.000 1.136 492 M CA -0.771 54.691 55.300 0.271 0.000 0.917 492 M CB 2.350 35.122 32.600 0.287 0.000 1.669 492 M HN 0.374 nan 8.290 nan 0.000 0.461 493 K N 2.659 123.122 120.400 0.104 0.000 2.489 493 K HA 0.193 4.499 4.320 -0.024 0.000 0.278 493 K C -1.006 175.620 176.600 0.043 0.000 1.000 493 K CA -0.086 56.227 56.287 0.044 0.000 1.012 493 K CB 0.388 32.894 32.500 0.010 0.000 0.903 493 K HN 0.637 nan 8.250 nan 0.000 0.485 494 L N 4.162 125.414 121.223 0.048 0.000 2.410 494 L HA 0.280 4.605 4.340 -0.024 0.000 0.273 494 L C -0.449 176.433 176.870 0.020 0.000 1.152 494 L CA 0.360 55.228 54.840 0.047 0.000 0.855 494 L CB 0.326 42.422 42.059 0.061 0.000 1.129 494 L HN 0.751 nan 8.230 nan 0.000 0.463 495 A N 5.528 128.361 122.820 0.021 0.000 2.496 495 A HA 0.100 4.405 4.320 -0.024 0.000 0.278 495 A C 0.893 178.465 177.584 -0.019 0.000 1.137 495 A CA 0.151 52.190 52.037 0.004 0.000 0.805 495 A CB -0.367 18.651 19.000 0.029 0.000 1.077 495 A HN 0.959 nan 8.150 nan 0.000 0.513 496 Q N 1.120 120.904 119.800 -0.028 0.000 1.098 496 Q HA -0.111 4.215 4.340 -0.024 0.000 0.752 496 Q C -0.279 175.571 176.000 -0.249 0.000 0.899 496 Q CA 1.423 57.156 55.803 -0.117 0.000 0.894 496 Q CB -0.076 28.711 28.738 0.082 0.000 0.959 496 Q HN 0.914 nan 8.270 nan 0.000 0.280 497 H N -0.656 118.447 119.070 0.054 0.000 2.375 497 H HA 0.555 5.097 4.556 -0.024 0.000 0.230 497 H C -1.036 174.328 175.328 0.061 0.000 1.511 497 H CA -0.121 55.966 56.048 0.066 0.000 1.215 497 H CB 0.630 30.431 29.762 0.065 0.000 1.580 497 H HN 0.330 nan 8.280 nan 0.000 0.537 498 A N 1.316 124.208 122.820 0.120 0.000 2.322 498 A HA 0.748 5.054 4.320 -0.024 0.000 0.327 498 A C 0.020 177.674 177.584 0.115 0.000 1.134 498 A CA -1.008 51.085 52.037 0.093 0.000 0.831 498 A CB 1.252 20.271 19.000 0.032 0.000 1.288 498 A HN 0.288 nan 8.150 nan 0.000 0.472 499 R N 0.718 121.310 120.500 0.154 0.000 2.532 499 R HA 0.398 4.724 4.340 -0.024 0.000 0.272 499 R C -0.856 175.520 176.300 0.127 0.000 1.032 499 R CA -0.295 55.934 56.100 0.216 0.000 1.089 499 R CB 0.520 31.000 30.300 0.301 0.000 1.098 499 R HN 0.794 nan 8.270 nan 0.000 0.526 500 H N 2.141 121.306 119.070 0.159 0.000 2.587 500 H HA 0.382 4.924 4.556 -0.024 0.000 0.325 500 H C -0.356 175.059 175.328 0.146 0.000 1.012 500 H CA -0.463 55.671 56.048 0.143 0.000 1.213 500 H CB 1.459 31.274 29.762 0.089 0.000 1.431 500 H HN 0.131 nan 8.280 nan 0.000 0.492 501 L N 2.820 124.200 121.223 0.262 0.000 2.346 501 L HA 0.440 4.766 4.340 -0.024 0.000 0.274 501 L C 0.050 177.082 176.870 0.269 0.000 1.007 501 L CA -0.673 54.319 54.840 0.254 0.000 0.818 501 L CB 2.333 44.551 42.059 0.264 0.000 1.284 501 L HN 0.503 nan 8.230 nan 0.000 0.424 502 E N 1.414 121.760 120.200 0.243 0.000 2.266 502 E HA 0.543 4.878 4.350 -0.024 0.000 0.268 502 E C -1.464 175.285 176.600 0.248 0.000 0.879 502 E CA -0.774 55.739 56.400 0.188 0.000 0.762 502 E CB 3.323 33.085 29.700 0.105 0.000 1.199 502 E HN 0.175 nan 8.360 nan 0.000 0.422 503 V N 2.625 122.649 119.914 0.183 0.000 2.417 503 V HA 0.164 4.269 4.120 -0.024 0.000 0.291 503 V C -0.226 175.914 176.094 0.078 0.000 1.024 503 V CA -0.764 61.634 62.300 0.163 0.000 0.861 503 V CB 1.494 33.358 31.823 0.068 0.000 0.985 503 V HN 0.614 nan 8.190 nan 0.000 0.436 504 Q N 4.407 124.261 119.800 0.091 0.000 2.304 504 Q HA 0.419 4.744 4.340 -0.024 0.000 0.260 504 Q C -0.993 175.004 176.000 -0.006 0.000 0.965 504 Q CA 0.207 56.037 55.803 0.044 0.000 0.898 504 Q CB 0.858 29.639 28.738 0.071 0.000 1.196 504 Q HN 0.569 nan 8.270 nan 0.000 0.402 505 I N 4.369 124.922 120.570 -0.028 0.000 2.646 505 I HA 0.457 4.613 4.170 -0.024 0.000 0.299 505 I C -1.240 174.874 176.117 -0.006 0.000 1.036 505 I CA -0.919 60.351 61.300 -0.050 0.000 1.074 505 I CB 1.693 39.626 38.000 -0.112 0.000 1.258 505 I HN 0.642 nan 8.210 nan 0.000 0.430 506 L N 5.243 126.455 121.223 -0.020 0.000 2.476 506 L HA 0.803 5.129 4.340 -0.024 0.000 0.269 506 L C -0.886 175.976 176.870 -0.014 0.000 0.965 506 L CA -0.132 54.707 54.840 -0.001 0.000 0.845 506 L CB 1.500 43.536 42.059 -0.038 0.000 1.259 506 L HN 0.710 nan 8.230 nan 0.000 0.403 507 A N 3.007 125.855 122.820 0.046 0.000 2.401 507 A HA 0.804 5.110 4.320 -0.024 0.000 0.310 507 A C -1.065 176.524 177.584 0.008 0.000 1.075 507 A CA -0.485 51.574 52.037 0.036 0.000 0.746 507 A CB 1.156 20.226 19.000 0.116 0.000 1.277 507 A HN 0.755 nan 8.150 nan 0.000 0.425 508 D N 0.075 120.488 120.400 0.023 0.000 2.539 508 D HA 0.262 4.887 4.640 -0.024 0.000 0.280 508 D C 0.295 176.532 176.300 -0.105 0.000 1.208 508 D CA -0.243 53.760 54.000 0.005 0.000 1.088 508 D CB 0.273 41.164 40.800 0.152 0.000 1.149 508 D HN 0.425 nan 8.370 nan 0.000 0.596 509 Q N -1.655 117.946 119.800 -0.332 0.000 2.246 509 Q HA 0.114 4.439 4.340 -0.024 0.000 0.202 509 Q C -0.429 175.142 176.000 -0.714 0.000 0.883 509 Q CA 0.033 55.514 55.803 -0.536 0.000 0.952 509 Q CB 0.108 28.456 28.738 -0.650 0.000 1.078 509 Q HN 0.441 nan 8.270 nan 0.000 0.493 510 Y N -1.554 118.783 120.300 0.062 0.000 2.706 510 Y HA 0.346 4.882 4.550 -0.024 0.000 0.255 510 Y C 1.317 177.263 175.900 0.076 0.000 1.163 510 Y CA -0.088 58.055 58.100 0.072 0.000 1.174 510 Y CB 0.953 39.466 38.460 0.088 0.000 1.200 510 Y HN 0.141 nan 8.280 nan 0.000 0.544 511 G N 0.318 109.197 108.800 0.133 0.000 2.199 511 G HA2 -0.318 3.628 3.960 -0.024 0.000 0.254 511 G HA3 -0.318 3.628 3.960 -0.024 0.000 0.254 511 G C 0.085 175.067 174.900 0.136 0.000 0.982 511 G CA 0.037 45.212 45.100 0.126 0.000 0.632 511 G HN 0.466 nan 8.290 nan 0.000 0.529 512 N N 0.957 119.761 118.700 0.173 0.000 2.525 512 N HA 0.614 5.340 4.740 -0.024 0.000 0.271 512 N C 0.065 175.615 175.510 0.066 0.000 1.194 512 N CA 0.631 53.783 53.050 0.169 0.000 0.964 512 N CB 1.216 39.868 38.487 0.275 0.000 1.126 512 N HN 0.918 nan 8.380 nan 0.000 0.452 513 A N 0.642 123.456 122.820 -0.010 0.000 2.574 513 A HA 0.678 4.984 4.320 -0.024 0.000 0.297 513 A C -1.104 176.343 177.584 -0.228 0.000 1.062 513 A CA -0.682 51.301 52.037 -0.090 0.000 0.686 513 A CB 0.959 19.951 19.000 -0.013 0.000 1.285 513 A HN 0.499 nan 8.150 nan 0.000 0.403 514 V N -0.804 118.945 119.914 -0.275 0.000 3.114 514 V HA 0.951 5.056 4.120 -0.024 0.000 0.308 514 V C -0.141 175.854 176.094 -0.164 0.000 1.168 514 V CA -0.191 61.929 62.300 -0.300 0.000 1.015 514 V CB 1.536 33.039 31.823 -0.534 0.000 1.050 514 V HN 1.748 nan 8.190 nan 0.000 0.433 515 S N 2.267 117.889 115.700 -0.131 0.000 2.541 515 S HA 0.748 5.203 4.470 -0.024 0.000 0.283 515 S C -0.340 174.128 174.600 -0.220 0.000 1.196 515 S CA -0.722 57.398 58.200 -0.133 0.000 1.062 515 S CB 1.230 64.358 63.200 -0.120 0.000 1.009 515 S HN 0.877 nan 8.310 nan 0.000 0.502 516 L N 3.470 124.590 121.223 -0.171 0.000 2.825 516 L HA 0.420 4.745 4.340 -0.024 0.000 0.236 516 L C -0.759 176.063 176.870 -0.080 0.000 1.301 516 L CA -0.526 54.183 54.840 -0.219 0.000 0.977 516 L CB -1.080 40.967 42.059 -0.020 0.000 1.300 516 L HN 0.818 nan 8.230 nan 0.000 0.486 517 F N -0.623 119.397 119.950 0.115 0.000 2.182 517 F HA -0.227 4.285 4.527 -0.024 0.000 0.318 517 F C 1.182 177.136 175.800 0.257 0.000 0.129 517 F CA 1.140 59.250 58.000 0.184 0.000 0.911 517 F CB -1.562 37.461 39.000 0.040 0.000 4.131 517 F HN 0.314 nan 8.300 nan 0.000 0.140 518 G N -0.973 108.075 108.800 0.414 0.000 2.749 518 G HA2 0.780 4.725 3.960 -0.024 0.000 0.300 518 G HA3 0.780 4.725 3.960 -0.024 0.000 0.300 518 G C -1.736 173.235 174.900 0.119 0.000 1.352 518 G CA -1.124 44.184 45.100 0.345 0.000 0.789 518 G HN 0.612 nan 8.290 nan 0.000 0.509 519 R N -0.466 120.104 120.500 0.116 0.000 2.808 519 R HA 0.476 4.801 4.340 -0.024 0.000 0.272 519 R C -1.885 174.451 176.300 0.060 0.000 0.995 519 R CA -0.892 55.234 56.100 0.044 0.000 0.917 519 R CB 2.612 32.947 30.300 0.058 0.000 1.217 519 R HN 0.486 nan 8.270 nan 0.000 0.471 520 D N 1.424 121.844 120.400 0.033 0.000 2.381 520 D HA 0.231 4.857 4.640 -0.024 0.000 0.235 520 D C -0.480 175.869 176.300 0.081 0.000 1.068 520 D CA -0.483 53.555 54.000 0.065 0.000 0.832 520 D CB 1.218 42.040 40.800 0.036 0.000 1.101 520 D HN 0.693 nan 8.370 nan 0.000 0.515 521 C N 2.346 121.710 119.300 0.107 0.000 2.975 521 C HA 0.472 4.918 4.460 -0.024 0.000 0.234 521 C C 1.469 176.504 174.990 0.075 0.000 1.666 521 C CA -0.706 58.355 59.018 0.071 0.000 1.534 521 C CB -1.078 26.687 27.740 0.041 0.000 2.642 521 C HN 0.381 nan 8.230 nan 0.000 0.516 522 S N 1.184 116.956 115.700 0.120 0.000 2.395 522 S HA 0.132 4.587 4.470 -0.024 0.000 0.225 522 S C 0.792 175.423 174.600 0.052 0.000 1.027 522 S CA 0.625 58.917 58.200 0.153 0.000 0.965 522 S CB -0.114 63.188 63.200 0.171 0.000 0.812 522 S HN 0.786 nan 8.310 nan 0.000 0.482 523 I N 2.885 123.465 120.570 0.016 0.000 2.372 523 I HA 0.115 4.271 4.170 -0.024 0.000 0.298 523 I C 0.008 176.081 176.117 -0.073 0.000 1.137 523 I CA 0.190 61.458 61.300 -0.053 0.000 1.314 523 I CB -0.118 37.837 38.000 -0.073 0.000 1.444 523 I HN 0.219 nan 8.210 nan 0.000 0.541 524 Q N 5.814 125.554 119.800 -0.099 0.000 2.433 524 Q HA 0.613 4.939 4.340 -0.024 0.000 0.279 524 Q C -0.574 175.353 176.000 -0.121 0.000 1.105 524 Q CA -1.101 54.635 55.803 -0.111 0.000 0.815 524 Q CB 3.028 31.671 28.738 -0.158 0.000 1.403 524 Q HN 0.428 nan 8.270 nan 0.000 0.435 525 R N 1.425 121.857 120.500 -0.114 0.000 2.487 525 R HA 0.224 4.550 4.340 -0.024 0.000 0.288 525 R C -1.120 175.089 176.300 -0.152 0.000 1.394 525 R CA -0.407 55.619 56.100 -0.123 0.000 1.155 525 R CB 0.449 30.690 30.300 -0.099 0.000 1.156 525 R HN 0.483 nan 8.270 nan 0.000 0.553 526 R N 4.260 124.620 120.500 -0.233 0.000 2.994 526 R HA -0.179 4.147 4.340 -0.024 0.000 0.267 526 R C -0.851 175.234 176.300 -0.358 0.000 0.914 526 R CA 0.900 56.760 56.100 -0.399 0.000 0.668 526 R CB -2.170 27.988 30.300 -0.236 0.000 1.524 526 R HN 0.988 nan 8.270 nan 0.000 0.478 527 H N -2.632 116.399 119.070 -0.065 0.000 2.770 527 H HA -0.183 4.359 4.556 -0.024 0.000 0.309 527 H C -0.043 175.244 175.328 -0.068 0.000 1.206 527 H CA 1.482 57.489 56.048 -0.069 0.000 1.147 527 H CB -0.967 28.767 29.762 -0.048 0.000 1.422 527 H HN 0.650 nan 8.280 nan 0.000 0.420 528 Q N 0.659 120.447 119.800 -0.020 0.000 2.275 528 Q HA 0.345 4.671 4.340 -0.024 0.000 0.258 528 Q C -0.864 175.118 176.000 -0.030 0.000 0.960 528 Q CA -0.586 55.204 55.803 -0.022 0.000 0.801 528 Q CB 1.276 29.986 28.738 -0.047 0.000 1.302 528 Q HN 0.240 nan 8.270 nan 0.000 0.433 529 K N 4.903 125.302 120.400 -0.002 0.000 2.363 529 K HA 0.140 4.445 4.320 -0.024 0.000 0.289 529 K C 0.455 177.075 176.600 0.034 0.000 1.063 529 K CA -0.028 56.262 56.287 0.005 0.000 0.967 529 K CB 0.661 33.175 32.500 0.022 0.000 0.987 529 K HN 0.588 nan 8.250 nan 0.000 0.473 530 I N 2.221 122.792 120.570 0.001 0.000 2.729 530 I HA -0.004 4.152 4.170 -0.024 0.000 0.256 530 I C 0.688 176.791 176.117 -0.023 0.000 1.115 530 I CA 0.754 62.057 61.300 0.004 0.000 1.446 530 I CB 0.149 38.157 38.000 0.013 0.000 1.176 530 I HN 0.189 nan 8.210 nan 0.000 0.446 531 V N 1.427 121.320 119.914 -0.035 0.000 2.531 531 V HA 0.416 4.521 4.120 -0.024 0.000 0.301 531 V C -0.531 175.575 176.094 0.019 0.000 1.034 531 V CA -0.706 61.571 62.300 -0.040 0.000 0.865 531 V CB 2.611 34.373 31.823 -0.102 0.000 0.995 531 V HN 0.205 nan 8.190 nan 0.000 0.424 532 E N 2.622 122.839 120.200 0.029 0.000 2.288 532 E HA 0.660 4.996 4.350 -0.024 0.000 0.268 532 E C -1.214 175.426 176.600 0.067 0.000 0.885 532 E CA -0.598 55.831 56.400 0.048 0.000 0.767 532 E CB 2.235 31.954 29.700 0.031 0.000 1.220 532 E HN 0.782 nan 8.360 nan 0.000 0.427 533 E N 0.806 121.040 120.200 0.057 0.000 2.312 533 E HA 0.747 5.083 4.350 -0.024 0.000 0.267 533 E C -1.555 174.983 176.600 -0.104 0.000 0.894 533 E CA -1.257 55.154 56.400 0.018 0.000 0.773 533 E CB 2.149 31.911 29.700 0.104 0.000 1.241 533 E HN 0.410 nan 8.360 nan 0.000 0.432 534 A N 2.774 125.417 122.820 -0.296 0.000 2.437 534 A HA 0.578 4.883 4.320 -0.024 0.000 0.293 534 A C -2.700 174.534 177.584 -0.583 0.000 1.038 534 A CA -1.323 50.531 52.037 -0.304 0.000 0.708 534 A CB 1.451 20.381 19.000 -0.118 0.000 1.251 534 A HN 0.339 nan 8.150 nan 0.000 0.409 535 P HA 0.476 nan 4.420 nan 0.000 0.297 535 P C 0.045 177.156 177.300 -0.315 0.000 1.303 535 P CA -0.112 62.794 63.100 -0.323 0.000 0.753 535 P CB 0.851 32.344 31.700 -0.346 0.000 1.281 536 A N -0.430 122.156 122.820 -0.389 0.000 2.316 536 A HA 0.517 4.823 4.320 -0.024 0.000 0.284 536 A C 0.893 178.251 177.584 -0.376 0.000 1.115 536 A CA 0.173 52.002 52.037 -0.346 0.000 0.812 536 A CB -0.280 18.474 19.000 -0.408 0.000 1.064 536 A HN 0.636 nan 8.150 nan 0.000 0.489 537 T N -0.738 113.683 114.554 -0.222 0.000 3.080 537 T HA 0.070 4.406 4.350 -0.024 0.000 0.280 537 T C 1.137 175.748 174.700 -0.147 0.000 0.926 537 T CA 0.459 62.450 62.100 -0.181 0.000 0.883 537 T CB -0.362 68.443 68.868 -0.104 0.000 1.194 537 T HN 0.323 nan 8.240 nan 0.000 0.541 538 I N 2.826 123.311 120.570 -0.143 0.000 2.493 538 I HA 0.379 4.535 4.170 -0.024 0.000 0.254 538 I C 1.124 177.163 176.117 -0.131 0.000 1.160 538 I CA 0.065 61.315 61.300 -0.083 0.000 1.445 538 I CB -0.480 37.513 38.000 -0.012 0.000 1.086 538 I HN 0.471 nan 8.210 nan 0.000 0.433 539 A N 0.424 123.041 122.820 -0.339 0.000 2.312 539 A HA 0.675 4.980 4.320 -0.024 0.000 0.328 539 A C -2.373 175.135 177.584 -0.126 0.000 1.158 539 A CA -1.407 50.372 52.037 -0.430 0.000 0.821 539 A CB -0.192 18.291 19.000 -0.863 0.000 1.170 539 A HN 0.050 nan 8.150 nan 0.000 0.490 540 P HA 0.036 nan 4.420 nan 0.000 0.267 540 P C 0.966 178.295 177.300 0.048 0.000 1.200 540 P CA -0.315 62.803 63.100 0.031 0.000 0.772 540 P CB 0.467 32.209 31.700 0.070 0.000 0.855 541 L N 3.888 125.140 121.223 0.048 0.000 2.081 541 L HA -0.233 4.093 4.340 -0.024 0.000 0.212 541 L C 2.093 179.039 176.870 0.126 0.000 1.080 541 L CA 2.416 57.313 54.840 0.094 0.000 0.754 541 L CB -1.338 40.760 42.059 0.066 0.000 0.893 541 L HN 0.462 nan 8.230 nan 0.000 0.433 542 A N -0.713 122.159 122.820 0.086 0.000 1.930 542 A HA -0.139 4.167 4.320 -0.024 0.000 0.217 542 A C 2.248 179.881 177.584 0.082 0.000 1.175 542 A CA 1.883 53.967 52.037 0.077 0.000 0.627 542 A CB -0.704 18.326 19.000 0.050 0.000 0.815 542 A HN 0.500 nan 8.150 nan 0.000 0.443 543 I N -2.192 118.427 120.570 0.083 0.000 2.233 543 I HA -0.165 3.991 4.170 -0.024 0.000 0.243 543 I C 2.321 178.410 176.117 -0.045 0.000 1.093 543 I CA 1.298 62.646 61.300 0.080 0.000 1.380 543 I CB -0.385 37.692 38.000 0.129 0.000 1.067 543 I HN 0.394 nan 8.210 nan 0.000 0.413 544 F N 2.136 122.000 119.950 -0.144 0.000 2.161 544 F HA -0.227 4.286 4.527 -0.023 0.000 0.300 544 F C 2.374 178.082 175.800 -0.153 0.000 1.089 544 F CA 1.731 59.603 58.000 -0.213 0.000 1.282 544 F CB -0.216 38.690 39.000 -0.156 0.000 1.010 544 F HN 0.068 nan 8.300 nan 0.000 0.485 545 E N -0.803 119.369 120.200 -0.046 0.000 2.150 545 E HA -0.225 4.111 4.350 -0.024 0.000 0.193 545 E C 2.123 178.663 176.600 -0.100 0.000 0.985 545 E CA 1.173 57.541 56.400 -0.052 0.000 0.814 545 E CB -0.442 29.305 29.700 0.077 0.000 0.752 545 E HN 0.567 nan 8.360 nan 0.000 0.466 546 F N 1.024 120.830 119.950 -0.239 0.000 2.146 546 F HA -0.169 4.342 4.527 -0.025 0.000 0.298 546 F C 2.234 177.807 175.800 -0.378 0.000 1.096 546 F CA 1.054 58.931 58.000 -0.205 0.000 1.275 546 F CB 0.071 39.011 39.000 -0.100 0.000 1.008 546 F HN -0.067 nan 8.300 nan 0.000 0.480 547 M N 0.127 119.239 119.600 -0.812 0.000 2.149 547 M HA -0.240 4.225 4.480 -0.024 0.000 0.261 547 M C 1.928 177.799 176.300 -0.716 0.000 1.064 547 M CA 1.845 56.408 55.300 -1.229 0.000 1.102 547 M CB -0.529 31.089 32.600 -1.636 0.000 1.369 547 M HN 0.206 nan 8.290 nan 0.000 0.408 548 E N 0.083 119.908 120.200 -0.625 0.000 2.077 548 E HA -0.220 4.116 4.350 -0.024 0.000 0.193 548 E C 2.063 178.529 176.600 -0.224 0.000 0.989 548 E CA 1.146 57.328 56.400 -0.362 0.000 0.800 548 E CB -0.158 29.367 29.700 -0.292 0.000 0.746 548 E HN 0.596 nan 8.360 nan 0.000 0.452 549 Q N -0.026 119.635 119.800 -0.231 0.000 2.135 549 Q HA -0.175 4.151 4.340 -0.024 0.000 0.204 549 Q C 2.387 178.270 176.000 -0.195 0.000 0.981 549 Q CA 1.415 57.124 55.803 -0.157 0.000 0.856 549 Q CB -0.185 28.498 28.738 -0.092 0.000 0.902 549 Q HN 0.345 nan 8.270 nan 0.000 0.425 550 C N 0.090 119.198 119.300 -0.320 0.000 2.446 550 C HA -0.050 4.396 4.460 -0.024 0.000 0.277 550 C C 2.873 177.823 174.990 -0.067 0.000 1.275 550 C CA 0.620 59.511 59.018 -0.211 0.000 1.727 550 C CB -1.115 26.501 27.740 -0.207 0.000 2.010 550 C HN 0.624 nan 8.230 nan 0.000 0.486 551 A N 0.498 123.314 122.820 -0.007 0.000 1.933 551 A HA -0.117 4.189 4.320 -0.024 0.000 0.218 551 A C 2.004 179.541 177.584 -0.077 0.000 1.175 551 A CA 1.571 53.605 52.037 -0.006 0.000 0.628 551 A CB -0.571 18.441 19.000 0.021 0.000 0.814 551 A HN 0.619 nan 8.150 nan 0.000 0.444 552 I N -1.046 119.478 120.570 -0.076 0.000 2.353 552 I HA -0.214 3.941 4.170 -0.024 0.000 0.248 552 I C 2.714 178.804 176.117 -0.044 0.000 1.119 552 I CA 0.960 62.225 61.300 -0.060 0.000 1.417 552 I CB -0.335 37.640 38.000 -0.043 0.000 1.078 552 I HN 0.296 nan 8.210 nan 0.000 0.421 553 R N 0.295 120.765 120.500 -0.050 0.000 2.075 553 R HA -0.154 4.171 4.340 -0.024 0.000 0.232 553 R C 2.283 178.540 176.300 -0.071 0.000 1.126 553 R CA 1.133 57.212 56.100 -0.035 0.000 0.963 553 R CB -0.579 29.700 30.300 -0.035 0.000 0.858 553 R HN 0.236 nan 8.270 nan 0.000 0.435 554 L N 0.960 122.114 121.223 -0.116 0.000 2.083 554 L HA -0.097 4.229 4.340 -0.024 0.000 0.209 554 L C 2.303 179.092 176.870 -0.135 0.000 1.083 554 L CA 1.788 56.526 54.840 -0.171 0.000 0.752 554 L CB -0.534 41.390 42.059 -0.224 0.000 0.899 554 L HN 0.122 nan 8.230 nan 0.000 0.433 555 A N -0.830 121.926 122.820 -0.107 0.000 1.873 555 A HA -0.197 4.109 4.320 -0.024 0.000 0.215 555 A C 2.326 179.931 177.584 0.035 0.000 1.186 555 A CA 1.750 53.753 52.037 -0.058 0.000 0.616 555 A CB -0.434 18.517 19.000 -0.082 0.000 0.823 555 A HN 0.446 nan 8.150 nan 0.000 0.442 556 K N -0.893 119.520 120.400 0.022 0.000 2.057 556 K HA -0.093 4.213 4.320 -0.024 0.000 0.207 556 K C 2.062 178.694 176.600 0.054 0.000 1.049 556 K CA 1.712 58.033 56.287 0.056 0.000 0.931 556 K CB -0.441 32.098 32.500 0.065 0.000 0.714 556 K HN 0.422 nan 8.250 nan 0.000 0.440 557 T N 0.824 115.378 114.554 -0.001 0.000 2.833 557 T HA -0.081 4.255 4.350 -0.024 0.000 0.269 557 T C 1.680 176.306 174.700 -0.124 0.000 1.054 557 T CA 1.038 63.093 62.100 -0.075 0.000 1.135 557 T CB 0.060 68.764 68.868 -0.274 0.000 0.869 557 T HN -0.036 nan 8.240 nan 0.000 0.466 558 V N 0.030 119.900 119.914 -0.074 0.000 3.647 558 V HA 0.340 4.446 4.120 -0.024 0.000 0.279 558 V C 1.670 177.790 176.094 0.044 0.000 1.314 558 V CA 0.458 62.737 62.300 -0.034 0.000 1.125 558 V CB -0.481 31.330 31.823 -0.020 0.000 0.907 558 V HN 0.600 nan 8.190 nan 0.000 0.434 559 G N -0.001 108.838 108.800 0.065 0.000 2.225 559 G HA2 -0.340 3.606 3.960 -0.024 0.000 0.264 559 G HA3 -0.340 3.606 3.960 -0.024 0.000 0.264 559 G C -0.066 174.876 174.900 0.070 0.000 1.060 559 G CA 0.201 45.343 45.100 0.069 0.000 0.833 559 G HN 0.503 nan 8.290 nan 0.000 0.498 560 Y N -0.460 119.828 120.300 -0.020 0.000 2.578 560 Y HA 0.403 4.939 4.550 -0.024 0.000 0.339 560 Y C 0.652 176.537 175.900 -0.026 0.000 1.231 560 Y CA 0.629 58.715 58.100 -0.024 0.000 1.461 560 Y CB 0.835 39.276 38.460 -0.031 0.000 1.323 560 Y HN 0.251 nan 8.280 nan 0.000 0.590 561 V N 4.814 124.383 119.914 -0.574 0.000 2.925 561 V HA 0.551 4.657 4.120 -0.024 0.000 0.311 561 V C -0.047 175.771 176.094 -0.460 0.000 1.104 561 V CA -0.336 61.761 62.300 -0.339 0.000 0.954 561 V CB 1.539 33.215 31.823 -0.244 0.000 1.022 561 V HN 1.065 nan 8.190 nan 0.000 0.427 562 S N 0.980 116.575 115.700 -0.175 0.000 3.830 562 S HA -0.020 4.436 4.470 -0.024 0.000 0.635 562 S C 0.031 174.676 174.600 0.076 0.000 2.022 562 S CA 0.382 58.521 58.200 -0.102 0.000 2.279 562 S CB -1.074 62.008 63.200 -0.196 0.000 0.329 562 S HN 2.354 nan 8.310 nan 0.000 1.707 563 A N 0.458 123.324 122.820 0.076 0.000 2.304 563 A HA 0.816 5.122 4.320 -0.024 0.000 0.301 563 A C 0.611 178.338 177.584 0.238 0.000 1.132 563 A CA 0.590 52.705 52.037 0.130 0.000 0.819 563 A CB 0.826 19.852 19.000 0.044 0.000 1.094 563 A HN 2.039 nan 8.150 nan 0.000 0.492 564 G N -0.599 108.282 108.800 0.135 0.000 2.559 564 G HA2 0.576 4.521 3.960 -0.024 0.000 0.291 564 G HA3 0.576 4.521 3.960 -0.024 0.000 0.291 564 G C -1.179 173.681 174.900 -0.067 0.000 1.424 564 G CA -0.337 44.777 45.100 0.024 0.000 0.786 564 G HN 0.793 nan 8.290 nan 0.000 0.485 565 T N 0.032 114.531 114.554 -0.091 0.000 2.848 565 T HA 0.573 4.909 4.350 -0.024 0.000 0.285 565 T C -0.771 173.854 174.700 -0.125 0.000 0.995 565 T CA -0.342 61.712 62.100 -0.077 0.000 0.970 565 T CB 1.834 70.681 68.868 -0.035 0.000 0.976 565 T HN 0.479 nan 8.240 nan 0.000 0.441 566 V N 3.236 123.073 119.914 -0.129 0.000 2.384 566 V HA 0.405 4.511 4.120 -0.024 0.000 0.287 566 V C 0.181 176.099 176.094 -0.293 0.000 1.020 566 V CA -0.738 61.429 62.300 -0.222 0.000 0.850 566 V CB 1.471 33.159 31.823 -0.225 0.000 0.987 566 V HN 0.837 nan 8.190 nan 0.000 0.436 567 E N 3.697 123.676 120.200 -0.368 0.000 2.197 567 E HA 0.497 4.833 4.350 -0.024 0.000 0.281 567 E C -1.670 174.699 176.600 -0.385 0.000 0.995 567 E CA -0.416 55.835 56.400 -0.249 0.000 0.808 567 E CB 1.081 30.698 29.700 -0.137 0.000 1.093 567 E HN 0.608 nan 8.360 nan 0.000 0.394 568 Y N 2.218 122.527 120.300 0.016 0.000 2.562 568 Y HA 0.409 4.944 4.550 -0.025 0.000 0.343 568 Y C -0.494 175.448 175.900 0.071 0.000 1.025 568 Y CA -1.020 57.124 58.100 0.074 0.000 1.082 568 Y CB 1.274 39.806 38.460 0.120 0.000 1.264 568 Y HN 0.404 nan 8.280 nan 0.000 0.478 569 L N 2.357 123.767 121.223 0.310 0.000 2.287 569 L HA 0.380 4.706 4.340 -0.024 0.000 0.287 569 L C -1.544 175.534 176.870 0.347 0.000 1.022 569 L CA -0.897 54.036 54.840 0.155 0.000 0.814 569 L CB 0.446 42.559 42.059 0.089 0.000 1.217 569 L HN 0.561 nan 8.230 nan 0.000 0.420 570 Y N 3.502 123.889 120.300 0.145 0.000 2.335 570 Y HA 0.613 5.149 4.550 -0.024 0.000 0.338 570 Y C -0.054 175.933 175.900 0.145 0.000 0.977 570 Y CA -0.382 57.825 58.100 0.177 0.000 1.114 570 Y CB 1.482 40.031 38.460 0.149 0.000 1.182 570 Y HN 0.673 nan 8.280 nan 0.000 0.463 571 S N 4.809 120.329 115.700 -0.301 0.000 2.654 571 S HA 0.170 4.626 4.470 -0.024 0.000 0.283 571 S C 0.868 175.242 174.600 -0.376 0.000 1.180 571 S CA -0.835 57.237 58.200 -0.214 0.000 1.021 571 S CB 1.545 64.712 63.200 -0.055 0.000 1.018 571 S HN 0.791 nan 8.310 nan 0.000 0.532 572 Q N 1.512 121.228 119.800 -0.140 0.000 2.173 572 Q HA -0.213 4.112 4.340 -0.024 0.000 0.208 572 Q C 1.435 177.363 176.000 -0.119 0.000 0.989 572 Q CA 1.816 57.564 55.803 -0.091 0.000 0.872 572 Q CB -0.458 28.267 28.738 -0.020 0.000 0.909 572 Q HN 0.769 nan 8.270 nan 0.000 0.420 573 D N -0.984 119.345 120.400 -0.118 0.000 2.088 573 D HA -0.116 4.510 4.640 -0.024 0.000 0.196 573 D C 1.492 177.727 176.300 -0.110 0.000 0.983 573 D CA 1.709 55.660 54.000 -0.082 0.000 0.846 573 D CB -0.271 40.499 40.800 -0.050 0.000 0.992 573 D HN 0.378 nan 8.370 nan 0.000 0.448 574 G N -0.302 108.394 108.800 -0.174 0.000 4.611 574 G HA2 0.031 3.976 3.960 -0.024 0.000 0.220 574 G HA3 0.031 3.976 3.960 -0.024 0.000 0.220 574 G C 0.065 174.967 174.900 0.003 0.000 0.717 574 G CA 0.383 45.423 45.100 -0.100 0.000 0.953 574 G HN 0.629 nan 8.290 nan 0.000 0.728 575 S N 0.286 115.937 115.700 -0.081 0.000 2.652 575 S HA 0.882 5.338 4.470 -0.024 0.000 0.270 575 S C -0.327 174.298 174.600 0.042 0.000 1.243 575 S CA -0.540 57.631 58.200 -0.048 0.000 0.999 575 S CB 1.542 64.666 63.200 -0.126 0.000 0.973 575 S HN 1.344 nan 8.310 nan 0.000 0.544 576 F N -1.670 118.191 119.950 -0.148 0.000 2.626 576 F HA 0.829 5.344 4.527 -0.021 0.000 0.311 576 F C -1.230 174.399 175.800 -0.286 0.000 1.088 576 F CA -1.116 56.856 58.000 -0.045 0.000 0.949 576 F CB 0.985 40.046 39.000 0.102 0.000 1.322 576 F HN 0.691 nan 8.300 nan 0.000 0.461 577 H N 1.243 120.507 119.070 0.323 0.000 2.930 577 H HA 0.406 4.947 4.556 -0.025 0.000 0.371 577 H C -1.624 173.979 175.328 0.458 0.000 1.169 577 H CA -0.847 55.347 56.048 0.243 0.000 1.157 577 H CB 1.987 31.817 29.762 0.112 0.000 1.789 577 H HN 0.812 nan 8.280 nan 0.000 0.547 578 F N 2.831 123.004 119.950 0.371 0.000 2.495 578 F HA 0.153 4.665 4.527 -0.025 0.000 0.365 578 F C -0.214 175.584 175.800 -0.003 0.000 1.090 578 F CA 0.110 58.188 58.000 0.131 0.000 1.235 578 F CB 0.346 39.362 39.000 0.027 0.000 1.119 578 F HN 0.486 nan 8.300 nan 0.000 0.562 579 L N 3.197 123.891 121.223 -0.882 0.000 2.471 579 L HA 0.269 4.595 4.340 -0.024 0.000 0.186 579 L C 0.047 176.219 176.870 -1.164 0.000 1.191 579 L CA 0.410 54.819 54.840 -0.719 0.000 0.835 579 L CB 0.115 41.962 42.059 -0.352 0.000 1.092 579 L HN 0.822 nan 8.230 nan 0.000 0.495 580 E N -1.014 118.471 120.200 -1.191 0.000 2.449 580 E HA 0.407 4.743 4.350 -0.024 0.000 0.278 580 E C -1.436 174.859 176.600 -0.509 0.000 1.059 580 E CA -0.774 55.142 56.400 -0.806 0.000 0.854 580 E CB 2.022 31.516 29.700 -0.344 0.000 1.465 580 E HN 0.041 nan 8.360 nan 0.000 0.462 581 L N 1.560 122.687 121.223 -0.161 0.000 2.376 581 L HA 0.531 4.857 4.340 -0.024 0.000 0.275 581 L C -1.547 175.278 176.870 -0.075 0.000 0.987 581 L CA -0.842 53.944 54.840 -0.089 0.000 0.828 581 L CB 1.580 43.634 42.059 -0.008 0.000 1.249 581 L HN 0.510 nan 8.230 nan 0.000 0.409 582 N N 6.889 125.542 118.700 -0.078 0.000 2.437 582 N HA 0.245 4.971 4.740 -0.024 0.000 0.243 582 N C -2.255 173.262 175.510 0.011 0.000 1.041 582 N CA -1.276 51.758 53.050 -0.028 0.000 0.940 582 N CB 1.133 39.606 38.487 -0.024 0.000 1.133 582 N HN 0.465 nan 8.380 nan 0.000 0.506 583 P HA 0.025 nan 4.420 nan 0.000 0.238 583 P C -0.355 177.058 177.300 0.188 0.000 1.714 583 P CA 0.254 63.494 63.100 0.233 0.000 0.908 583 P CB -0.161 31.672 31.700 0.222 0.000 1.893 584 R N -1.663 118.914 120.500 0.129 0.000 2.829 584 R HA 0.442 4.767 4.340 -0.024 0.000 0.284 584 R C -1.587 174.741 176.300 0.047 0.000 1.006 584 R CA -1.150 54.987 56.100 0.061 0.000 0.844 584 R CB -0.178 30.146 30.300 0.040 0.000 1.309 584 R HN -0.168 nan 8.270 nan 0.000 0.494 585 L N 0.975 122.214 121.223 0.026 0.000 2.439 585 L HA 0.396 4.722 4.340 -0.024 0.000 0.261 585 L C -0.260 176.639 176.870 0.049 0.000 1.153 585 L CA 0.278 55.132 54.840 0.023 0.000 0.808 585 L CB 1.084 43.142 42.059 -0.002 0.000 1.126 585 L HN 0.631 nan 8.230 nan 0.000 0.460 586 Q N 0.372 120.116 119.800 -0.093 0.000 2.416 586 Q HA 0.275 4.601 4.340 -0.024 0.000 0.279 586 Q C 0.469 176.026 176.000 -0.740 0.000 1.101 586 Q CA -0.740 54.870 55.803 -0.323 0.000 0.830 586 Q CB 2.098 30.733 28.738 -0.171 0.000 1.402 586 Q HN 0.499 nan 8.270 nan 0.000 0.445 587 V N 1.372 120.522 119.914 -1.273 0.000 2.688 587 V HA -0.240 3.865 4.120 -0.024 0.000 0.256 587 V C 0.723 176.566 176.094 -0.418 0.000 1.084 587 V CA 2.177 63.752 62.300 -1.207 0.000 1.103 587 V CB -0.074 31.307 31.823 -0.736 0.000 0.688 587 V HN 0.713 nan 8.190 nan 0.000 0.480 588 E N -0.614 119.437 120.200 -0.247 0.000 2.465 588 E HA -0.012 4.324 4.350 -0.024 0.000 0.191 588 E C 1.788 178.374 176.600 -0.023 0.000 1.053 588 E CA 0.402 56.807 56.400 0.008 0.000 0.869 588 E CB -0.188 29.511 29.700 -0.001 0.000 0.977 588 E HN 0.905 nan 8.360 nan 0.000 0.483 589 H N -1.229 117.765 119.070 -0.127 0.000 2.457 589 H HA -0.006 4.536 4.556 -0.024 0.000 0.297 589 H C -1.030 174.243 175.328 -0.091 0.000 1.092 589 H CA 0.681 56.682 56.048 -0.078 0.000 1.309 589 H CB -1.515 28.210 29.762 -0.060 0.000 1.382 589 H HN 0.154 nan 8.280 nan 0.000 0.535 590 P HA -0.067 nan 4.420 nan 0.000 0.219 590 P C 1.550 178.673 177.300 -0.296 0.000 1.146 590 P CA 1.391 64.116 63.100 -0.625 0.000 0.808 590 P CB -0.165 30.896 31.700 -1.064 0.000 0.779 591 C N -1.494 117.747 119.300 -0.100 0.000 2.413 591 C HA -0.127 4.318 4.460 -0.024 0.000 0.276 591 C C 2.670 177.677 174.990 0.029 0.000 1.248 591 C CA 1.716 60.773 59.018 0.064 0.000 1.742 591 C CB -1.876 25.954 27.740 0.150 0.000 2.017 591 C HN 0.291 nan 8.230 nan 0.000 0.481 592 T N 0.582 115.156 114.554 0.033 0.000 2.777 592 T HA -0.141 4.194 4.350 -0.024 0.000 0.266 592 T C 1.655 176.391 174.700 0.060 0.000 1.040 592 T CA 1.299 63.444 62.100 0.074 0.000 1.141 592 T CB -0.307 68.621 68.868 0.100 0.000 0.868 592 T HN 0.648 nan 8.240 nan 0.000 0.444 593 E N 0.531 120.736 120.200 0.008 0.000 2.118 593 E HA -0.158 4.177 4.350 -0.024 0.000 0.195 593 E C 2.093 178.671 176.600 -0.036 0.000 0.992 593 E CA 1.115 57.509 56.400 -0.011 0.000 0.804 593 E CB -0.210 29.454 29.700 -0.060 0.000 0.741 593 E HN 0.304 nan 8.360 nan 0.000 0.458 594 M N 1.112 120.678 119.600 -0.057 0.000 2.123 594 M HA -0.070 4.396 4.480 -0.024 0.000 0.263 594 M C 2.109 178.395 176.300 -0.023 0.000 1.069 594 M CA 1.397 56.651 55.300 -0.075 0.000 1.133 594 M CB -0.110 32.464 32.600 -0.043 0.000 1.356 594 M HN 0.188 nan 8.290 nan 0.000 0.415 595 I N -2.494 118.100 120.570 0.040 0.000 3.251 595 I HA 0.212 4.367 4.170 -0.024 0.000 0.277 595 I C 1.570 177.694 176.117 0.011 0.000 1.268 595 I CA 1.006 62.320 61.300 0.024 0.000 1.449 595 I CB -0.573 37.388 38.000 -0.065 0.000 1.083 595 I HN 0.220 nan 8.210 nan 0.000 0.464 596 A N 0.603 123.482 122.820 0.098 0.000 2.431 596 A HA 0.116 4.421 4.320 -0.024 0.000 0.239 596 A C 0.845 178.488 177.584 0.097 0.000 1.230 596 A CA 0.410 52.567 52.037 0.200 0.000 0.928 596 A CB -0.155 19.023 19.000 0.297 0.000 1.006 596 A HN 0.498 nan 8.150 nan 0.000 0.520 597 D N -0.618 119.799 120.400 0.029 0.000 2.701 597 D HA -0.135 4.491 4.640 -0.024 0.000 0.235 597 D C -0.715 175.591 176.300 0.010 0.000 1.155 597 D CA 0.948 54.943 54.000 -0.009 0.000 0.649 597 D CB -1.513 39.276 40.800 -0.020 0.000 1.050 597 D HN 0.202 nan 8.370 nan 0.000 0.425 598 V N 1.531 121.457 119.914 0.020 0.000 2.495 598 V HA 0.345 4.451 4.120 -0.024 0.000 0.298 598 V C 0.521 176.621 176.094 0.009 0.000 1.031 598 V CA -1.036 61.277 62.300 0.022 0.000 0.871 598 V CB 1.824 33.671 31.823 0.039 0.000 0.988 598 V HN 0.293 nan 8.190 nan 0.000 0.432 599 N N 4.541 123.240 118.700 -0.002 0.000 2.555 599 N HA 0.251 4.977 4.740 -0.024 0.000 0.244 599 N C 0.925 176.421 175.510 -0.024 0.000 1.114 599 N CA -0.005 53.039 53.050 -0.010 0.000 0.963 599 N CB 0.840 39.325 38.487 -0.004 0.000 1.276 599 N HN 0.677 nan 8.380 nan 0.000 0.510 600 L N 4.119 125.356 121.223 0.024 0.000 1.990 600 L HA -0.133 4.192 4.340 -0.024 0.000 0.213 600 L C -0.604 176.255 176.870 -0.019 0.000 1.072 600 L CA 1.531 56.384 54.840 0.021 0.000 0.755 600 L CB -1.327 40.783 42.059 0.085 0.000 0.889 600 L HN 0.400 nan 8.230 nan 0.000 0.432 601 P HA -0.165 nan 4.420 nan 0.000 0.216 601 P C 1.330 178.549 177.300 -0.136 0.000 1.150 601 P CA 1.748 64.816 63.100 -0.053 0.000 0.837 601 P CB -0.011 31.610 31.700 -0.132 0.000 0.786 602 A N -0.249 122.460 122.820 -0.184 0.000 1.968 602 A HA 0.004 4.310 4.320 -0.024 0.000 0.217 602 A C 2.265 179.566 177.584 -0.471 0.000 1.169 602 A CA 1.680 53.479 52.037 -0.396 0.000 0.638 602 A CB -1.462 17.284 19.000 -0.424 0.000 0.812 602 A HN 0.180 nan 8.150 nan 0.000 0.446 603 A N -0.476 122.182 122.820 -0.269 0.000 1.898 603 A HA -0.188 4.118 4.320 -0.024 0.000 0.216 603 A C 2.111 179.601 177.584 -0.156 0.000 1.181 603 A CA 1.548 53.466 52.037 -0.198 0.000 0.620 603 A CB -0.537 18.404 19.000 -0.099 0.000 0.819 603 A HN 0.630 nan 8.150 nan 0.000 0.442 604 Q N -1.053 118.678 119.800 -0.115 0.000 2.084 604 Q HA -0.183 4.143 4.340 -0.024 0.000 0.202 604 Q C 2.123 178.064 176.000 -0.099 0.000 0.978 604 Q CA 1.541 57.297 55.803 -0.077 0.000 0.844 604 Q CB -0.374 28.363 28.738 -0.001 0.000 0.898 604 Q HN 0.614 nan 8.270 nan 0.000 0.426 605 L N 0.922 122.056 121.223 -0.148 0.000 2.017 605 L HA -0.213 4.113 4.340 -0.024 0.000 0.208 605 L C 2.085 178.862 176.870 -0.155 0.000 1.073 605 L CA 1.833 56.583 54.840 -0.151 0.000 0.745 605 L CB -0.422 41.513 42.059 -0.208 0.000 0.894 605 L HN 0.149 nan 8.230 nan 0.000 0.432 606 Q N -0.466 119.175 119.800 -0.266 0.000 2.084 606 Q HA -0.181 4.145 4.340 -0.024 0.000 0.202 606 Q C 2.337 178.348 176.000 0.019 0.000 0.978 606 Q CA 2.022 57.764 55.803 -0.102 0.000 0.844 606 Q CB -0.275 28.360 28.738 -0.173 0.000 0.898 606 Q HN 0.572 nan 8.270 nan 0.000 0.426 607 I N 0.795 121.345 120.570 -0.033 0.000 2.208 607 I HA -0.280 3.876 4.170 -0.024 0.000 0.245 607 I C 2.222 178.331 176.117 -0.014 0.000 1.097 607 I CA 1.065 62.359 61.300 -0.011 0.000 1.363 607 I CB -0.251 37.723 38.000 -0.043 0.000 1.051 607 I HN 0.164 nan 8.210 nan 0.000 0.413 608 A N -0.244 122.561 122.820 -0.025 0.000 2.168 608 A HA -0.063 4.243 4.320 -0.024 0.000 0.215 608 A C 2.196 179.798 177.584 0.030 0.000 1.152 608 A CA 0.910 52.938 52.037 -0.013 0.000 0.716 608 A CB -0.446 18.542 19.000 -0.020 0.000 0.794 608 A HN 0.383 nan 8.150 nan 0.000 0.465 609 M N -1.573 118.068 119.600 0.068 0.000 2.561 609 M HA 0.137 4.603 4.480 -0.024 0.000 0.238 609 M C 1.387 177.764 176.300 0.128 0.000 1.131 609 M CA 0.883 56.258 55.300 0.124 0.000 1.046 609 M CB 0.256 32.991 32.600 0.225 0.000 1.532 609 M HN 0.635 nan 8.290 nan 0.000 0.497 610 G N 0.673 109.538 108.800 0.108 0.000 2.159 610 G HA2 -0.189 3.757 3.960 -0.024 0.000 0.227 610 G HA3 -0.189 3.757 3.960 -0.024 0.000 0.227 610 G C 0.037 175.108 174.900 0.285 0.000 0.986 610 G CA -0.295 44.902 45.100 0.161 0.000 0.651 610 G HN 0.286 nan 8.290 nan 0.000 0.523 611 V N 3.492 123.530 119.914 0.207 0.000 2.521 611 V HA 0.361 4.467 4.120 -0.024 0.000 0.286 611 V C -0.792 175.441 176.094 0.231 0.000 1.034 611 V CA -0.786 61.625 62.300 0.185 0.000 1.045 611 V CB 1.011 32.929 31.823 0.160 0.000 0.974 611 V HN 0.312 nan 8.190 nan 0.000 0.480 612 P HA 0.122 nan 4.420 nan 0.000 0.274 612 P C 0.772 178.133 177.300 0.101 0.000 1.231 612 P CA -0.472 62.754 63.100 0.208 0.000 0.790 612 P CB 1.260 32.978 31.700 0.031 0.000 0.951 613 L N 2.417 123.762 121.223 0.203 0.000 2.013 613 L HA -0.224 4.102 4.340 -0.024 0.000 0.212 613 L C 2.629 179.639 176.870 0.233 0.000 1.073 613 L CA 2.413 57.358 54.840 0.176 0.000 0.753 613 L CB -1.997 40.148 42.059 0.145 0.000 0.890 613 L HN 0.631 nan 8.230 nan 0.000 0.432 614 H N -2.787 116.448 119.070 0.275 0.000 2.561 614 H HA 0.030 4.571 4.556 -0.024 0.000 0.278 614 H C 1.499 176.918 175.328 0.152 0.000 1.014 614 H CA 0.679 56.842 56.048 0.192 0.000 1.211 614 H CB -0.121 29.671 29.762 0.050 0.000 1.365 614 H HN 0.075 nan 8.280 nan 0.000 0.594 615 R N 0.655 120.992 120.500 -0.272 0.000 2.468 615 R HA 0.282 4.608 4.340 -0.024 0.000 0.280 615 R C -0.484 175.918 176.300 0.170 0.000 0.963 615 R CA -0.162 55.899 56.100 -0.064 0.000 1.083 615 R CB 0.380 30.609 30.300 -0.118 0.000 1.200 615 R HN 0.368 nan 8.270 nan 0.000 0.541 616 L N 1.346 122.643 121.223 0.122 0.000 2.257 616 L HA 0.216 4.541 4.340 -0.024 0.000 0.290 616 L C 1.788 178.718 176.870 0.100 0.000 1.044 616 L CA -0.317 54.595 54.840 0.121 0.000 0.810 616 L CB 1.464 43.566 42.059 0.071 0.000 1.193 616 L HN -0.159 nan 8.230 nan 0.000 0.425 617 K N 1.847 122.297 120.400 0.083 0.000 2.015 617 K HA -0.237 4.069 4.320 -0.024 0.000 0.216 617 K C 1.058 177.624 176.600 -0.056 0.000 1.052 617 K CA 2.156 58.391 56.287 -0.085 0.000 0.937 617 K CB 0.155 32.527 32.500 -0.213 0.000 0.719 617 K HN 0.675 nan 8.250 nan 0.000 0.446 618 D N 0.553 120.951 120.400 -0.003 0.000 2.133 618 D HA -0.176 4.450 4.640 -0.024 0.000 0.195 618 D C 1.892 178.230 176.300 0.064 0.000 0.997 618 D CA 0.895 54.905 54.000 0.016 0.000 0.840 618 D CB -0.148 40.666 40.800 0.023 0.000 0.947 618 D HN 0.211 nan 8.370 nan 0.000 0.452 619 I N 0.733 121.361 120.570 0.096 0.000 2.315 619 I HA -0.135 4.021 4.170 -0.024 0.000 0.248 619 I C 2.292 178.572 176.117 0.272 0.000 1.117 619 I CA 0.847 62.261 61.300 0.191 0.000 1.404 619 I CB -0.716 37.382 38.000 0.163 0.000 1.071 619 I HN 0.026 nan 8.210 nan 0.000 0.419 620 R N 0.501 121.101 120.500 0.167 0.000 2.075 620 R HA -0.079 4.247 4.340 -0.024 0.000 0.232 620 R C 2.356 178.729 176.300 0.122 0.000 1.126 620 R CA 1.073 57.261 56.100 0.146 0.000 0.963 620 R CB -0.338 29.993 30.300 0.051 0.000 0.858 620 R HN 0.315 nan 8.270 nan 0.000 0.435 621 L N 0.559 121.811 121.223 0.049 0.000 2.093 621 L HA -0.168 4.158 4.340 -0.024 0.000 0.208 621 L C 2.440 179.345 176.870 0.058 0.000 1.085 621 L CA 0.613 55.466 54.840 0.022 0.000 0.755 621 L CB -0.471 41.572 42.059 -0.028 0.000 0.904 621 L HN 0.181 nan 8.230 nan 0.000 0.435 622 L N -0.803 120.474 121.223 0.091 0.000 2.083 622 L HA -0.216 4.110 4.340 -0.024 0.000 0.209 622 L C 1.717 178.552 176.870 -0.058 0.000 1.083 622 L CA 1.834 56.700 54.840 0.042 0.000 0.752 622 L CB -0.508 41.592 42.059 0.069 0.000 0.899 622 L HN 0.131 nan 8.230 nan 0.000 0.433 623 Y N 0.098 120.456 120.300 0.097 0.000 2.532 623 Y HA 0.385 4.920 4.550 -0.024 0.000 0.283 623 Y C 1.551 177.488 175.900 0.062 0.000 1.181 623 Y CA 0.069 58.229 58.100 0.100 0.000 1.256 623 Y CB -0.317 38.230 38.460 0.145 0.000 1.112 623 Y HN 0.248 nan 8.280 nan 0.000 0.521 624 G N 0.941 109.810 108.800 0.116 0.000 2.366 624 G HA2 -0.249 3.697 3.960 -0.024 0.000 0.299 624 G HA3 -0.249 3.697 3.960 -0.024 0.000 0.299 624 G C -0.012 174.933 174.900 0.074 0.000 1.020 624 G CA 0.178 45.323 45.100 0.074 0.000 1.026 624 G HN 0.287 nan 8.290 nan 0.000 0.512 625 E N -0.432 119.814 120.200 0.076 0.000 2.334 625 E HA 0.599 4.935 4.350 -0.024 0.000 0.256 625 E C 0.757 177.363 176.600 0.009 0.000 0.958 625 E CA -0.095 56.334 56.400 0.049 0.000 0.821 625 E CB 1.168 30.906 29.700 0.064 0.000 1.269 625 E HN 0.500 nan 8.360 nan 0.000 0.413 626 S N 0.337 116.036 115.700 -0.001 0.000 2.562 626 S HA 0.117 4.573 4.470 -0.024 0.000 0.281 626 S C -1.988 172.551 174.600 -0.101 0.000 1.333 626 S CA -0.948 57.234 58.200 -0.029 0.000 1.052 626 S CB 0.874 64.077 63.200 0.004 0.000 0.884 626 S HN 0.173 nan 8.310 nan 0.000 0.506 627 P HA -0.075 nan 4.420 nan 0.000 0.216 627 P C -0.015 176.861 177.300 -0.707 0.000 1.153 627 P CA 1.439 64.166 63.100 -0.623 0.000 0.858 627 P CB -0.020 31.146 31.700 -0.890 0.000 0.789 628 W N -1.057 120.277 121.300 0.056 0.000 2.693 628 W HA 0.478 5.124 4.660 -0.024 0.000 0.415 628 W C 0.839 177.322 176.519 -0.060 0.000 0.932 628 W CA -0.722 56.638 57.345 0.024 0.000 2.200 628 W CB -0.222 29.191 29.460 -0.078 0.000 1.188 628 W HN -0.177 nan 8.180 nan 0.000 0.665 629 G N 0.245 109.109 108.800 0.105 0.000 2.572 629 G HA2 0.320 4.266 3.960 -0.024 0.000 0.261 629 G HA3 0.320 4.266 3.960 -0.024 0.000 0.261 629 G C 0.268 175.205 174.900 0.062 0.000 1.197 629 G CA -0.348 44.785 45.100 0.054 0.000 0.870 629 G HN -0.001 nan 8.290 nan 0.000 0.548 630 V N 0.218 120.154 119.914 0.036 0.000 3.578 630 V HA 0.066 4.172 4.120 -0.024 0.000 0.290 630 V C 1.178 177.347 176.094 0.124 0.000 1.376 630 V CA 0.356 62.702 62.300 0.076 0.000 1.083 630 V CB -0.212 31.613 31.823 0.002 0.000 0.911 630 V HN 0.662 nan 8.190 nan 0.000 0.433 631 T N 3.610 118.196 114.554 0.054 0.000 2.829 631 T HA 0.168 4.503 4.350 -0.024 0.000 0.293 631 T C -2.191 172.481 174.700 -0.048 0.000 0.970 631 T CA -0.501 61.590 62.100 -0.014 0.000 1.168 631 T CB 0.589 69.441 68.868 -0.027 0.000 0.911 631 T HN 0.185 nan 8.240 nan 0.000 0.535 632 P HA 0.176 nan 4.420 nan 0.000 0.267 632 P C -0.398 176.711 177.300 -0.318 0.000 1.200 632 P CA -0.069 62.765 63.100 -0.444 0.000 0.772 632 P CB 0.405 31.804 31.700 -0.502 0.000 0.855 633 I N 0.806 121.107 120.570 -0.448 0.000 2.441 633 I HA 0.201 4.357 4.170 -0.024 0.000 0.295 633 I C 0.525 176.085 176.117 -0.929 0.000 0.994 633 I CA -0.578 60.355 61.300 -0.612 0.000 1.144 633 I CB 1.796 39.395 38.000 -0.669 0.000 1.314 633 I HN 0.187 nan 8.210 nan 0.000 0.445 634 S N 5.086 120.442 115.700 -0.574 0.000 2.681 634 S HA 0.270 4.725 4.470 -0.024 0.000 0.313 634 S C 0.818 175.196 174.600 -0.371 0.000 1.137 634 S CA -0.449 57.500 58.200 -0.418 0.000 1.045 634 S CB -0.220 62.869 63.200 -0.185 0.000 1.208 634 S HN 0.432 nan 8.310 nan 0.000 0.523 635 F N 2.286 122.126 119.950 -0.183 0.000 2.451 635 F HA 0.052 4.564 4.527 -0.024 0.000 0.299 635 F C 2.179 177.979 175.800 0.000 0.000 1.101 635 F CA 0.609 58.489 58.000 -0.200 0.000 1.436 635 F CB -0.355 38.508 39.000 -0.228 0.000 1.074 635 F HN 0.582 nan 8.300 nan 0.000 0.553 636 E N 0.567 120.845 120.200 0.130 0.000 2.015 636 E HA -0.141 4.195 4.350 -0.024 0.000 0.191 636 E C 0.499 177.161 176.600 0.103 0.000 0.991 636 E CA 1.659 58.124 56.400 0.109 0.000 0.802 636 E CB 0.010 29.750 29.700 0.066 0.000 0.759 636 E HN 0.282 nan 8.360 nan 0.000 0.447 637 T N 0.891 115.486 114.554 0.070 0.000 3.410 637 T HA 0.392 4.727 4.350 -0.024 0.000 0.328 637 T C -2.498 172.243 174.700 0.069 0.000 1.567 637 T CA -1.673 60.470 62.100 0.071 0.000 1.626 637 T CB 1.147 70.042 68.868 0.044 0.000 0.939 637 T HN 0.006 nan 8.240 nan 0.000 0.656 638 P HA 0.173 nan 4.420 nan 0.000 0.271 638 P C 1.076 178.442 177.300 0.109 0.000 1.218 638 P CA -0.283 62.908 63.100 0.153 0.000 0.780 638 P CB 1.376 33.302 31.700 0.376 0.000 0.901 639 S N 1.132 116.881 115.700 0.082 0.000 2.461 639 S HA -0.016 4.439 4.470 -0.024 0.000 0.228 639 S C 0.718 175.357 174.600 0.066 0.000 1.005 639 S CA 0.252 58.487 58.200 0.058 0.000 0.942 639 S CB -0.467 62.755 63.200 0.036 0.000 0.776 639 S HN 0.457 nan 8.310 nan 0.000 0.514 640 N N 2.864 121.619 118.700 0.091 0.000 2.898 640 N HA 0.369 5.094 4.740 -0.024 0.000 0.245 640 N C -3.183 172.364 175.510 0.061 0.000 1.185 640 N CA -1.445 51.648 53.050 0.071 0.000 0.879 640 N CB 1.115 39.645 38.487 0.072 0.000 1.157 640 N HN 0.189 nan 8.380 nan 0.000 0.503 641 P HA -0.030 nan 4.420 nan 0.000 0.255 641 P C -2.236 175.056 177.300 -0.013 0.000 1.161 641 P CA -0.252 62.870 63.100 0.035 0.000 0.768 641 P CB -0.074 31.656 31.700 0.050 0.000 0.746 642 P HA 0.106 nan 4.420 nan 0.000 0.271 642 P C -0.760 176.629 177.300 0.148 0.000 1.220 642 P CA 0.412 63.440 63.100 -0.121 0.000 0.768 642 P CB 0.848 32.234 31.700 -0.522 0.000 0.848 643 L N 1.964 123.273 121.223 0.143 0.000 2.342 643 L HA 0.674 4.999 4.340 -0.024 0.000 0.271 643 L C 0.544 177.339 176.870 -0.124 0.000 1.008 643 L CA -1.334 53.544 54.840 0.063 0.000 0.818 643 L CB 1.909 43.968 42.059 -0.001 0.000 1.296 643 L HN 0.312 nan 8.230 nan 0.000 0.427 644 A N 2.167 124.641 122.820 -0.577 0.000 2.366 644 A HA 0.380 4.686 4.320 -0.024 0.000 0.272 644 A C -0.033 177.383 177.584 -0.281 0.000 1.135 644 A CA -0.313 51.251 52.037 -0.789 0.000 0.804 644 A CB 0.282 18.591 19.000 -1.151 0.000 1.064 644 A HN 0.798 nan 8.150 nan 0.000 0.499 645 R N 2.980 123.408 120.500 -0.120 0.000 2.205 645 R HA 0.471 4.797 4.340 -0.024 0.000 0.342 645 R C 0.749 177.204 176.300 0.258 0.000 1.058 645 R CA 1.003 57.139 56.100 0.060 0.000 0.904 645 R CB -0.304 30.039 30.300 0.072 0.000 1.089 645 R HN 1.726 nan 8.270 nan 0.000 0.471 646 G N 2.382 111.290 108.800 0.180 0.000 2.642 646 G HA2 -0.311 3.635 3.960 -0.024 0.000 0.231 646 G HA3 -0.311 3.635 3.960 -0.024 0.000 0.231 646 G C -1.215 173.648 174.900 -0.062 0.000 1.338 646 G CA -0.011 45.127 45.100 0.063 0.000 0.883 646 G HN 0.830 nan 8.290 nan 0.000 0.570 647 H N -2.162 116.663 119.070 -0.409 0.000 2.895 647 H HA 0.694 5.236 4.556 -0.024 0.000 0.373 647 H C -0.775 174.404 175.328 -0.248 0.000 1.174 647 H CA -0.257 55.626 56.048 -0.275 0.000 1.144 647 H CB 2.219 31.812 29.762 -0.282 0.000 1.793 647 H HN 0.663 nan 8.280 nan 0.000 0.551 648 V N 5.038 124.828 119.914 -0.206 0.000 2.789 648 V HA 0.396 4.501 4.120 -0.024 0.000 0.311 648 V C -0.843 175.301 176.094 0.084 0.000 1.073 648 V CA -0.738 61.585 62.300 0.037 0.000 0.921 648 V CB 1.919 33.812 31.823 0.118 0.000 1.009 648 V HN 0.579 nan 8.190 nan 0.000 0.426 649 I N 3.264 123.919 120.570 0.142 0.000 2.498 649 I HA 0.792 4.947 4.170 -0.024 0.000 0.290 649 I C 0.097 176.253 176.117 0.064 0.000 1.032 649 I CA -0.460 60.911 61.300 0.119 0.000 1.073 649 I CB 1.753 39.824 38.000 0.118 0.000 1.251 649 I HN 0.739 nan 8.210 nan 0.000 0.426 650 A N 4.780 127.596 122.820 -0.007 0.000 2.386 650 A HA 0.974 5.279 4.320 -0.024 0.000 0.311 650 A C -0.811 176.678 177.584 -0.159 0.000 1.068 650 A CA -0.519 51.401 52.037 -0.196 0.000 0.743 650 A CB 1.861 20.679 19.000 -0.303 0.000 1.258 650 A HN 0.862 nan 8.150 nan 0.000 0.429 651 A N 1.620 124.315 122.820 -0.209 0.000 2.449 651 A HA 0.763 5.068 4.320 -0.024 0.000 0.302 651 A C -0.281 177.203 177.584 -0.167 0.000 1.048 651 A CA -0.677 51.263 52.037 -0.162 0.000 0.708 651 A CB 1.121 19.993 19.000 -0.214 0.000 1.274 651 A HN 0.907 nan 8.150 nan 0.000 0.410 652 R N 2.041 122.447 120.500 -0.156 0.000 2.308 652 R HA 0.581 4.907 4.340 -0.024 0.000 0.305 652 R C -0.749 175.426 176.300 -0.208 0.000 1.053 652 R CA -0.241 55.660 56.100 -0.332 0.000 0.957 652 R CB 0.291 30.489 30.300 -0.170 0.000 1.022 652 R HN 0.774 nan 8.270 nan 0.000 0.461 653 I N 0.627 121.060 120.570 -0.228 0.000 2.569 653 I HA 0.578 4.733 4.170 -0.024 0.000 0.296 653 I C -0.631 175.559 176.117 0.121 0.000 1.028 653 I CA -0.772 60.471 61.300 -0.094 0.000 1.082 653 I CB 2.395 40.215 38.000 -0.299 0.000 1.264 653 I HN 0.609 nan 8.210 nan 0.000 0.429 654 T N 0.954 115.656 114.554 0.246 0.000 2.906 654 T HA 0.515 4.851 4.350 -0.024 0.000 0.295 654 T C -0.300 174.513 174.700 0.189 0.000 1.061 654 T CA -0.691 61.558 62.100 0.249 0.000 1.000 654 T CB 1.774 70.724 68.868 0.136 0.000 1.103 654 T HN 0.750 nan 8.240 nan 0.000 0.486 667 G N 0.894 109.771 108.800 0.128 0.000 2.777 667 G HA2 0.302 4.248 3.960 -0.024 0.000 0.211 667 G HA3 0.302 4.248 3.960 -0.024 0.000 0.211 667 G C 0.643 175.647 174.900 0.174 0.000 1.149 667 G CA 0.712 45.884 45.100 0.119 0.000 0.785 667 G HN 1.355 nan 8.290 nan 0.000 0.536 668 T N -1.061 113.576 114.554 0.138 0.000 2.851 668 T HA 0.503 4.839 4.350 -0.024 0.000 0.298 668 T C -0.384 174.348 174.700 0.054 0.000 0.977 668 T CA -0.666 61.492 62.100 0.096 0.000 1.126 668 T CB 2.187 71.096 68.868 0.069 0.000 0.916 668 T HN 0.188 nan 8.240 nan 0.000 0.529 669 V N 2.835 122.761 119.914 0.020 0.000 2.769 669 V HA 0.545 4.651 4.120 -0.024 0.000 0.312 669 V C -1.150 174.852 176.094 -0.153 0.000 1.061 669 V CA -0.812 61.473 62.300 -0.025 0.000 0.931 669 V CB 2.017 33.860 31.823 0.033 0.000 1.010 669 V HN 0.995 nan 8.190 nan 0.000 0.433 670 Q N 3.891 123.454 119.800 -0.395 0.000 2.339 670 Q HA 0.383 4.708 4.340 -0.024 0.000 0.268 670 Q C -0.732 175.006 176.000 -0.438 0.000 1.027 670 Q CA -0.296 55.165 55.803 -0.569 0.000 0.759 670 Q CB 1.822 29.778 28.738 -1.304 0.000 1.244 670 Q HN 0.832 nan 8.270 nan 0.000 0.464 671 E N 3.293 123.364 120.200 -0.214 0.000 2.324 671 E HA 0.184 4.520 4.350 -0.024 0.000 0.271 671 E C -0.680 175.739 176.600 -0.302 0.000 1.028 671 E CA -0.046 56.243 56.400 -0.186 0.000 0.890 671 E CB 0.704 30.422 29.700 0.029 0.000 1.004 671 E HN 0.430 nan 8.360 nan 0.000 0.431 672 L N 4.345 125.279 121.223 -0.483 0.000 2.296 672 L HA 0.357 4.683 4.340 -0.024 0.000 0.286 672 L C -0.442 176.019 176.870 -0.682 0.000 1.023 672 L CA -0.567 53.951 54.840 -0.536 0.000 0.812 672 L CB 1.227 42.978 42.059 -0.515 0.000 1.223 672 L HN 0.448 nan 8.230 nan 0.000 0.421 673 N N 2.362 120.682 118.700 -0.634 0.000 2.272 673 N HA 0.669 5.395 4.740 -0.024 0.000 0.305 673 N C -1.423 173.700 175.510 -0.645 0.000 1.103 673 N CA -0.399 52.387 53.050 -0.440 0.000 0.791 673 N CB 1.818 40.228 38.487 -0.128 0.000 1.356 673 N HN 0.208 nan 8.380 nan 0.000 0.486 674 F N 0.236 120.197 119.950 0.018 0.000 2.495 674 F HA 0.475 4.988 4.527 -0.024 0.000 0.327 674 F C 1.537 177.353 175.800 0.027 0.000 1.103 674 F CA -0.879 57.129 58.000 0.013 0.000 0.949 674 F CB 1.819 40.822 39.000 0.005 0.000 1.142 674 F HN 0.295 nan 8.300 nan 0.000 0.457 675 R N 0.522 121.126 120.500 0.173 0.000 2.193 675 R HA -0.033 4.292 4.340 -0.024 0.000 0.213 675 R C 1.600 177.971 176.300 0.117 0.000 1.055 675 R CA 0.916 57.084 56.100 0.113 0.000 0.995 675 R CB -0.246 30.099 30.300 0.074 0.000 0.893 675 R HN 0.608 nan 8.270 nan 0.000 0.459 676 S N 0.895 116.681 115.700 0.143 0.000 2.404 676 S HA -0.110 4.345 4.470 -0.024 0.000 0.216 676 S C 1.128 175.779 174.600 0.086 0.000 1.039 676 S CA 1.053 59.308 58.200 0.092 0.000 1.062 676 S CB -0.138 63.099 63.200 0.061 0.000 1.046 676 S HN 0.250 nan 8.310 nan 0.000 0.415 677 S N 1.304 117.063 115.700 0.097 0.000 2.454 677 S HA 0.312 4.768 4.470 -0.024 0.000 0.306 677 S C 0.647 175.339 174.600 0.154 0.000 1.100 677 S CA -0.911 57.347 58.200 0.096 0.000 1.087 677 S CB 0.934 64.165 63.200 0.051 0.000 1.019 677 S HN 0.344 nan 8.310 nan 0.000 0.480 678 K N 3.620 124.104 120.400 0.140 0.000 2.525 678 K HA 0.116 4.421 4.320 -0.024 0.000 0.192 678 K C -0.196 176.510 176.600 0.177 0.000 1.029 678 K CA 0.560 56.939 56.287 0.153 0.000 1.029 678 K CB -0.426 32.142 32.500 0.112 0.000 0.814 678 K HN 0.455 nan 8.250 nan 0.000 0.503 679 N N 1.062 119.876 118.700 0.190 0.000 2.279 679 N HA 0.101 4.827 4.740 -0.024 0.000 0.226 679 N C -0.910 174.755 175.510 0.258 0.000 1.126 679 N CA -0.050 53.143 53.050 0.238 0.000 0.846 679 N CB 0.899 39.562 38.487 0.294 0.000 1.050 679 N HN -0.048 nan 8.380 nan 0.000 0.502 680 V N 0.460 120.534 119.914 0.267 0.000 2.709 680 V HA 0.488 4.593 4.120 -0.024 0.000 0.308 680 V C -1.126 175.274 176.094 0.511 0.000 1.062 680 V CA -1.012 61.465 62.300 0.296 0.000 0.901 680 V CB 2.712 34.556 31.823 0.035 0.000 1.003 680 V HN 0.173 nan 8.190 nan 0.000 0.425 681 W N 2.880 124.389 121.300 0.349 0.000 3.032 681 W HA 0.822 5.468 4.660 -0.024 0.000 0.335 681 W C -0.077 176.714 176.519 0.453 0.000 1.154 681 W CA -0.157 57.406 57.345 0.362 0.000 1.204 681 W CB 2.225 31.824 29.460 0.231 0.000 1.416 681 W HN 0.877 nan 8.180 nan 0.000 0.521 682 G N 2.385 110.722 108.800 -0.773 0.000 2.682 682 G HA2 0.677 4.623 3.960 -0.024 0.000 0.290 682 G HA3 0.677 4.623 3.960 -0.024 0.000 0.290 682 G C -2.233 172.030 174.900 -1.062 0.000 1.425 682 G CA -0.294 44.417 45.100 -0.648 0.000 0.807 682 G HN 1.144 nan 8.290 nan 0.000 0.482 683 Y N -1.647 118.300 120.300 -0.587 0.000 2.713 683 Y HA 0.811 5.347 4.550 -0.024 0.000 0.335 683 Y C -1.775 174.079 175.900 -0.078 0.000 1.222 683 Y CA -2.442 55.411 58.100 -0.411 0.000 1.061 683 Y CB 1.245 39.519 38.460 -0.310 0.000 1.314 683 Y HN 1.421 nan 8.280 nan 0.000 0.453 684 F N -1.024 118.758 119.950 -0.280 0.000 2.703 684 F HA 0.841 5.354 4.527 -0.024 0.000 0.308 684 F C -1.879 173.937 175.800 0.028 0.000 1.126 684 F CA -1.383 56.464 58.000 -0.255 0.000 0.959 684 F CB 1.592 40.579 39.000 -0.021 0.000 1.297 684 F HN 0.507 nan 8.300 nan 0.000 0.441 685 S N 2.166 118.021 115.700 0.258 0.000 2.552 685 S HA 0.636 5.091 4.470 -0.024 0.000 0.314 685 S C -0.380 174.390 174.600 0.282 0.000 1.099 685 S CA -0.699 57.621 58.200 0.201 0.000 1.070 685 S CB 1.388 64.654 63.200 0.110 0.000 0.998 685 S HN 1.038 nan 8.310 nan 0.000 0.474 686 V N 1.820 121.901 119.914 0.278 0.000 2.924 686 V HA 0.783 4.889 4.120 -0.024 0.000 0.305 686 V C 0.818 177.010 176.094 0.163 0.000 1.073 686 V CA -0.766 61.670 62.300 0.226 0.000 1.098 686 V CB -0.127 31.817 31.823 0.200 0.000 1.000 686 V HN 0.949 nan 8.190 nan 0.000 0.484 699 Q N -1.271 118.582 119.800 0.089 0.000 2.634 699 Q HA 0.544 4.870 4.340 -0.024 0.000 0.417 699 Q C -1.332 174.839 176.000 0.285 0.000 0.592 699 Q CA -0.536 55.391 55.803 0.207 0.000 0.952 699 Q CB 0.537 29.481 28.738 0.343 0.000 1.171 699 Q HN 0.625 nan 8.270 nan 0.000 0.369 700 F N -0.680 119.329 119.950 0.098 0.000 2.525 700 F HA 0.947 5.460 4.527 -0.024 0.000 0.346 700 F C 0.055 175.894 175.800 0.065 0.000 1.072 700 F CA -0.117 57.928 58.000 0.075 0.000 1.033 700 F CB 0.885 39.893 39.000 0.013 0.000 1.324 700 F HN 0.489 nan 8.300 nan 0.000 0.491 701 G N -0.614 108.044 108.800 -0.238 0.000 2.570 701 G HA2 0.524 4.470 3.960 -0.024 0.000 0.310 701 G HA3 0.524 4.470 3.960 -0.024 0.000 0.310 701 G C -2.475 171.987 174.900 -0.729 0.000 1.266 701 G CA -0.877 43.770 45.100 -0.755 0.000 0.825 701 G HN 0.949 nan 8.290 nan 0.000 0.483 702 H N -2.346 116.280 119.070 -0.740 0.000 2.930 702 H HA 0.631 5.173 4.556 -0.024 0.000 0.371 702 H C -1.031 174.122 175.328 -0.291 0.000 1.169 702 H CA -0.301 55.553 56.048 -0.322 0.000 1.157 702 H CB 2.184 31.899 29.762 -0.078 0.000 1.789 702 H HN 0.630 nan 8.280 nan 0.000 0.547 703 C N 2.483 121.656 119.300 -0.212 0.000 2.493 703 C HA 0.585 5.031 4.460 -0.024 0.000 0.326 703 C C -0.987 173.871 174.990 -0.221 0.000 1.200 703 C CA -0.689 58.267 59.018 -0.104 0.000 1.739 703 C CB -0.117 27.533 27.740 -0.149 0.000 2.300 703 C HN 0.609 nan 8.230 nan 0.000 0.500 704 F N 1.601 121.678 119.950 0.212 0.000 2.518 704 F HA 0.543 5.056 4.527 -0.024 0.000 0.323 704 F C 0.321 176.228 175.800 0.178 0.000 1.129 704 F CA -0.168 57.959 58.000 0.212 0.000 0.920 704 F CB 1.772 40.949 39.000 0.295 0.000 1.160 704 F HN 0.469 nan 8.300 nan 0.000 0.440 705 S N 3.442 119.312 115.700 0.284 0.000 2.532 705 S HA 0.569 5.025 4.470 -0.024 0.000 0.299 705 S C -1.636 173.116 174.600 0.254 0.000 1.105 705 S CA -0.422 57.905 58.200 0.211 0.000 1.018 705 S CB 0.711 63.950 63.200 0.066 0.000 1.021 705 S HN 0.603 nan 8.310 nan 0.000 0.483 706 W N 3.431 124.787 121.300 0.094 0.000 2.706 706 W HA 0.773 5.418 4.660 -0.024 0.000 0.346 706 W C -0.163 176.388 176.519 0.053 0.000 1.071 706 W CA -0.085 57.302 57.345 0.070 0.000 1.206 706 W CB 1.695 31.186 29.460 0.052 0.000 1.413 706 W HN 0.896 nan 8.180 nan 0.000 0.542 707 G N 2.313 110.354 108.800 -1.264 0.000 2.703 707 G HA2 0.174 4.119 3.960 -0.024 0.000 0.294 707 G HA3 0.174 4.119 3.960 -0.024 0.000 0.294 707 G C -0.564 173.389 174.900 -1.579 0.000 1.451 707 G CA -0.656 43.788 45.100 -1.092 0.000 0.869 707 G HN 0.501 nan 8.290 nan 0.000 0.516 708 E N -0.650 118.960 120.200 -0.982 0.000 2.267 708 E HA -0.068 4.268 4.350 -0.024 0.000 0.197 708 E C 1.120 177.501 176.600 -0.365 0.000 0.998 708 E CA 1.594 57.669 56.400 -0.541 0.000 0.830 708 E CB 0.021 29.609 29.700 -0.186 0.000 0.751 708 E HN 0.656 nan 8.360 nan 0.000 0.491 709 N N -2.455 116.026 118.700 -0.365 0.000 3.039 709 N HA 0.221 4.947 4.740 -0.024 0.000 0.257 709 N C 0.191 175.504 175.510 -0.328 0.000 1.497 709 N CA -0.884 52.005 53.050 -0.268 0.000 0.861 709 N CB 1.079 39.443 38.487 -0.204 0.000 1.479 709 N HN -0.242 nan 8.380 nan 0.000 0.547 710 R N 0.202 120.422 120.500 -0.468 0.000 2.105 710 R HA -0.226 4.099 4.340 -0.024 0.000 0.239 710 R C 1.836 177.898 176.300 -0.397 0.000 1.135 710 R CA 2.479 58.129 56.100 -0.750 0.000 0.967 710 R CB -0.247 29.464 30.300 -0.982 0.000 0.861 710 R HN 0.757 nan 8.270 nan 0.000 0.442 711 E N 0.521 120.548 120.200 -0.287 0.000 2.072 711 E HA -0.190 4.145 4.350 -0.024 0.000 0.191 711 E C 1.499 178.008 176.600 -0.150 0.000 0.985 711 E CA 1.649 57.938 56.400 -0.186 0.000 0.801 711 E CB -0.123 29.487 29.700 -0.150 0.000 0.750 711 E HN 0.271 nan 8.360 nan 0.000 0.452 712 E N 0.359 120.455 120.200 -0.173 0.000 2.204 712 E HA -0.040 4.296 4.350 -0.024 0.000 0.194 712 E C 1.959 178.472 176.600 -0.146 0.000 0.989 712 E CA 1.103 57.413 56.400 -0.150 0.000 0.824 712 E CB -0.394 29.202 29.700 -0.173 0.000 0.756 712 E HN 0.457 nan 8.360 nan 0.000 0.477 713 A N 0.954 123.667 122.820 -0.179 0.000 1.897 713 A HA -0.073 4.233 4.320 -0.024 0.000 0.215 713 A C 2.303 179.858 177.584 -0.049 0.000 1.181 713 A CA 0.789 52.757 52.037 -0.115 0.000 0.620 713 A CB -0.490 18.462 19.000 -0.079 0.000 0.821 713 A HN 0.160 nan 8.150 nan 0.000 0.443 714 I N -0.222 120.318 120.570 -0.050 0.000 2.252 714 I HA -0.199 3.956 4.170 -0.024 0.000 0.245 714 I C 2.632 178.730 176.117 -0.032 0.000 1.102 714 I CA 1.320 62.623 61.300 0.004 0.000 1.385 714 I CB -0.238 37.796 38.000 0.057 0.000 1.064 714 I HN 0.216 nan 8.210 nan 0.000 0.414 715 S N 0.757 116.426 115.700 -0.051 0.000 2.368 715 S HA -0.183 4.272 4.470 -0.024 0.000 0.225 715 S C 1.675 176.236 174.600 -0.065 0.000 1.030 715 S CA 1.696 59.864 58.200 -0.054 0.000 0.999 715 S CB -0.636 62.532 63.200 -0.053 0.000 0.844 715 S HN 0.499 nan 8.310 nan 0.000 0.459 716 N N 0.720 119.383 118.700 -0.062 0.000 2.120 716 N HA -0.129 4.597 4.740 -0.024 0.000 0.188 716 N C 1.813 177.250 175.510 -0.122 0.000 1.024 716 N CA 1.379 54.390 53.050 -0.065 0.000 0.852 716 N CB -0.201 38.272 38.487 -0.023 0.000 1.003 716 N HN 0.227 nan 8.380 nan 0.000 0.424 717 M N 1.048 120.580 119.600 -0.114 0.000 2.067 717 M HA -0.087 4.379 4.480 -0.024 0.000 0.260 717 M C 1.811 177.990 176.300 -0.202 0.000 1.069 717 M CA 1.395 56.593 55.300 -0.170 0.000 1.117 717 M CB -0.427 32.102 32.600 -0.117 0.000 1.334 717 M HN -0.084 nan 8.290 nan 0.000 0.407 718 V N -0.661 119.166 119.914 -0.145 0.000 2.282 718 V HA -0.294 3.812 4.120 -0.024 0.000 0.249 718 V C 2.411 178.420 176.094 -0.142 0.000 1.057 718 V CA 1.958 64.176 62.300 -0.137 0.000 1.032 718 V CB -1.166 30.602 31.823 -0.092 0.000 0.645 718 V HN 0.426 nan 8.190 nan 0.000 0.447 719 V N 0.342 120.180 119.914 -0.127 0.000 2.287 719 V HA -0.288 3.817 4.120 -0.024 0.000 0.248 719 V C 2.717 178.712 176.094 -0.164 0.000 1.053 719 V CA 2.199 64.433 62.300 -0.109 0.000 1.027 719 V CB -1.251 30.527 31.823 -0.076 0.000 0.646 719 V HN 0.575 nan 8.190 nan 0.000 0.447 720 A N -0.436 122.194 122.820 -0.317 0.000 1.933 720 A HA -0.114 4.192 4.320 -0.024 0.000 0.218 720 A C 2.203 179.507 177.584 -0.466 0.000 1.175 720 A CA 1.628 53.280 52.037 -0.641 0.000 0.628 720 A CB -0.489 17.684 19.000 -1.377 0.000 0.814 720 A HN 0.524 nan 8.150 nan 0.000 0.444 721 L N -0.917 120.099 121.223 -0.345 0.000 2.093 721 L HA -0.153 4.173 4.340 -0.024 0.000 0.208 721 L C 2.482 179.281 176.870 -0.119 0.000 1.085 721 L CA 1.409 56.111 54.840 -0.230 0.000 0.755 721 L CB -0.419 41.497 42.059 -0.237 0.000 0.904 721 L HN 0.342 nan 8.230 nan 0.000 0.435 722 K N 0.063 120.403 120.400 -0.101 0.000 2.097 722 K HA -0.229 4.077 4.320 -0.024 0.000 0.206 722 K C 2.006 178.605 176.600 -0.003 0.000 1.049 722 K CA 1.343 57.602 56.287 -0.048 0.000 0.933 722 K CB -0.060 32.415 32.500 -0.043 0.000 0.717 722 K HN 0.297 nan 8.250 nan 0.000 0.442 723 E N 1.110 121.322 120.200 0.020 0.000 2.106 723 E HA -0.143 4.193 4.350 -0.024 0.000 0.192 723 E C 1.956 178.632 176.600 0.127 0.000 0.984 723 E CA 0.581 57.041 56.400 0.100 0.000 0.806 723 E CB 0.095 29.919 29.700 0.208 0.000 0.750 723 E HN 0.225 nan 8.360 nan 0.000 0.458 724 L N 0.726 122.023 121.223 0.123 0.000 2.093 724 L HA -0.158 4.167 4.340 -0.024 0.000 0.208 724 L C 2.711 179.645 176.870 0.107 0.000 1.085 724 L CA 1.345 56.246 54.840 0.102 0.000 0.755 724 L CB -0.364 41.669 42.059 -0.043 0.000 0.904 724 L HN 0.266 nan 8.230 nan 0.000 0.435 725 S N 0.043 115.780 115.700 0.062 0.000 2.400 725 S HA -0.212 4.244 4.470 -0.024 0.000 0.232 725 S C 1.842 176.479 174.600 0.061 0.000 1.025 725 S CA 1.129 59.367 58.200 0.065 0.000 0.993 725 S CB -0.780 62.434 63.200 0.024 0.000 0.808 725 S HN 0.404 nan 8.310 nan 0.000 0.478 726 I N 1.455 122.059 120.570 0.056 0.000 2.361 726 I HA -0.121 4.035 4.170 -0.024 0.000 0.251 726 I C 1.714 177.860 176.117 0.050 0.000 1.133 726 I CA 0.856 62.183 61.300 0.046 0.000 1.413 726 I CB -0.310 37.717 38.000 0.045 0.000 1.073 726 I HN 0.177 nan 8.210 nan 0.000 0.424 727 R N 0.480 121.026 120.500 0.077 0.000 2.707 727 R HA 0.132 4.458 4.340 -0.024 0.000 0.270 727 R C 1.436 177.760 176.300 0.040 0.000 1.083 727 R CA 0.325 56.468 56.100 0.071 0.000 1.182 727 R CB 0.158 30.534 30.300 0.126 0.000 1.084 727 R HN 0.158 nan 8.270 nan 0.000 0.528 728 G N 1.218 110.014 108.800 -0.006 0.000 2.404 728 G HA2 -0.278 3.667 3.960 -0.024 0.000 0.214 728 G HA3 -0.278 3.667 3.960 -0.024 0.000 0.214 728 G C 0.705 175.528 174.900 -0.128 0.000 1.189 728 G CA 1.029 46.098 45.100 -0.052 0.000 0.789 728 G HN 0.775 nan 8.290 nan 0.000 0.533 729 D N 0.695 120.949 120.400 -0.243 0.000 2.172 729 D HA -0.165 4.461 4.640 -0.024 0.000 0.196 729 D C 1.005 176.877 176.300 -0.715 0.000 0.999 729 D CA 0.927 54.583 54.000 -0.574 0.000 0.856 729 D CB -0.558 39.683 40.800 -0.932 0.000 0.934 729 D HN 0.445 nan 8.370 nan 0.000 0.453 730 F N -0.058 119.815 119.950 -0.127 0.000 2.928 730 F HA 0.359 4.871 4.527 -0.024 0.000 0.337 730 F C 0.878 176.643 175.800 -0.058 0.000 1.259 730 F CA -0.876 57.066 58.000 -0.096 0.000 1.267 730 F CB 0.143 39.081 39.000 -0.103 0.000 0.986 730 F HN -0.131 nan 8.300 nan 0.000 0.507 731 R N -1.865 118.664 120.500 0.048 0.000 2.541 731 R HA 0.328 4.653 4.340 -0.024 0.000 0.245 731 R C -0.044 176.272 176.300 0.026 0.000 1.154 731 R CA 0.514 56.634 56.100 0.034 0.000 1.179 731 R CB -0.288 30.014 30.300 0.003 0.000 1.189 731 R HN 0.246 nan 8.270 nan 0.000 0.526 732 T N -1.520 113.061 114.554 0.045 0.000 3.822 732 T HA -0.094 4.242 4.350 -0.024 0.000 0.318 732 T C 1.289 176.039 174.700 0.083 0.000 0.894 732 T CA 0.520 62.644 62.100 0.041 0.000 1.147 732 T CB -0.207 68.668 68.868 0.012 0.000 1.088 732 T HN 0.438 nan 8.240 nan 0.000 0.529 733 T N 1.753 116.369 114.554 0.103 0.000 2.977 733 T HA -0.043 4.292 4.350 -0.024 0.000 0.271 733 T C 1.722 176.579 174.700 0.261 0.000 1.105 733 T CA 1.461 63.669 62.100 0.180 0.000 1.116 733 T CB -0.595 68.364 68.868 0.151 0.000 0.878 733 T HN 0.464 nan 8.240 nan 0.000 0.509 734 V N -2.239 117.750 119.914 0.125 0.000 3.621 734 V HA 0.451 4.557 4.120 -0.024 0.000 0.285 734 V C 2.076 178.087 176.094 -0.138 0.000 1.346 734 V CA 0.372 62.638 62.300 -0.058 0.000 1.104 734 V CB 0.009 31.783 31.823 -0.081 0.000 0.913 734 V HN 0.193 nan 8.190 nan 0.000 0.432 735 E N 1.727 121.920 120.200 -0.013 0.000 2.150 735 E HA -0.158 4.178 4.350 -0.024 0.000 0.193 735 E C 1.837 178.418 176.600 -0.032 0.000 0.985 735 E CA 1.920 58.306 56.400 -0.023 0.000 0.814 735 E CB -0.561 29.152 29.700 0.022 0.000 0.752 735 E HN 0.958 nan 8.360 nan 0.000 0.466 736 Y N -1.039 119.239 120.300 -0.037 0.000 2.373 736 Y HA 0.054 4.590 4.550 -0.024 0.000 0.293 736 Y C 1.656 177.551 175.900 -0.008 0.000 1.129 736 Y CA 0.723 58.809 58.100 -0.023 0.000 1.226 736 Y CB -0.468 37.983 38.460 -0.016 0.000 1.000 736 Y HN -0.042 nan 8.280 nan 0.000 0.549 737 L N 0.220 120.885 121.223 -0.931 0.000 2.072 737 L HA -0.090 4.236 4.340 -0.024 0.000 0.205 737 L C 2.428 179.062 176.870 -0.394 0.000 1.079 737 L CA 1.063 55.454 54.840 -0.747 0.000 0.752 737 L CB -0.399 41.202 42.059 -0.764 0.000 0.906 737 L HN 0.259 nan 8.230 nan 0.000 0.436 738 I N -0.028 120.368 120.570 -0.290 0.000 2.226 738 I HA -0.298 3.858 4.170 -0.024 0.000 0.245 738 I C 1.973 178.009 176.117 -0.134 0.000 1.100 738 I CA 1.636 62.823 61.300 -0.188 0.000 1.374 738 I CB -0.494 37.427 38.000 -0.133 0.000 1.057 738 I HN 0.338 nan 8.210 nan 0.000 0.413 739 N N 0.848 119.493 118.700 -0.092 0.000 2.188 739 N HA -0.164 4.562 4.740 -0.024 0.000 0.184 739 N C 2.027 177.512 175.510 -0.041 0.000 1.018 739 N CA 0.789 53.824 53.050 -0.024 0.000 0.858 739 N CB -0.035 38.471 38.487 0.032 0.000 0.989 739 N HN 0.324 nan 8.380 nan 0.000 0.426 740 L N 1.200 122.357 121.223 -0.109 0.000 2.027 740 L HA -0.086 4.239 4.340 -0.024 0.000 0.206 740 L C 1.938 178.571 176.870 -0.395 0.000 1.074 740 L CA 1.103 55.801 54.840 -0.236 0.000 0.745 740 L CB -0.151 41.731 42.059 -0.294 0.000 0.898 740 L HN 0.188 nan 8.230 nan 0.000 0.433 741 L N -0.328 120.637 121.223 -0.431 0.000 2.191 741 L HA -0.174 4.152 4.340 -0.024 0.000 0.212 741 L C 1.849 178.679 176.870 -0.066 0.000 1.103 741 L CA 1.108 55.693 54.840 -0.425 0.000 0.769 741 L CB -0.393 41.490 42.059 -0.294 0.000 0.908 741 L HN 0.393 nan 8.230 nan 0.000 0.438 742 E N -0.446 119.724 120.200 -0.050 0.000 2.463 742 E HA 0.034 4.370 4.350 -0.024 0.000 0.193 742 E C 0.600 177.241 176.600 0.068 0.000 1.041 742 E CA -0.055 56.360 56.400 0.025 0.000 0.879 742 E CB 0.206 29.907 29.700 0.001 0.000 0.997 742 E HN 0.442 nan 8.360 nan 0.000 0.478 743 T N -1.102 113.503 114.554 0.085 0.000 2.898 743 T HA 0.055 4.391 4.350 -0.024 0.000 0.301 743 T C 1.084 175.888 174.700 0.173 0.000 1.049 743 T CA -0.436 61.754 62.100 0.150 0.000 1.095 743 T CB 1.878 70.846 68.868 0.166 0.000 0.976 743 T HN -0.153 nan 8.240 nan 0.000 0.539 744 E N 1.331 121.634 120.200 0.171 0.000 2.051 744 E HA -0.145 4.190 4.350 -0.024 0.000 0.192 744 E C 2.419 179.105 176.600 0.142 0.000 0.991 744 E CA 1.982 58.461 56.400 0.132 0.000 0.799 744 E CB -0.593 29.177 29.700 0.115 0.000 0.748 744 E HN 0.855 nan 8.360 nan 0.000 0.449 745 S N -0.565 115.264 115.700 0.214 0.000 2.383 745 S HA -0.190 4.266 4.470 -0.024 0.000 0.229 745 S C 2.072 176.762 174.600 0.150 0.000 1.030 745 S CA 1.132 59.456 58.200 0.207 0.000 1.002 745 S CB -0.694 62.720 63.200 0.358 0.000 0.829 745 S HN 0.354 nan 8.310 nan 0.000 0.467 746 F N 2.460 122.414 119.950 0.007 0.000 2.098 746 F HA 0.055 4.567 4.527 -0.024 0.000 0.294 746 F C 2.787 178.562 175.800 -0.042 0.000 1.107 746 F CA 1.417 59.391 58.000 -0.045 0.000 1.234 746 F CB -0.526 38.422 39.000 -0.086 0.000 1.002 746 F HN 0.059 nan 8.300 nan 0.000 0.472 747 Q N 0.477 120.332 119.800 0.092 0.000 2.133 747 Q HA -0.231 4.095 4.340 -0.024 0.000 0.208 747 Q C 1.586 177.518 176.000 -0.114 0.000 0.991 747 Q CA 1.623 57.413 55.803 -0.021 0.000 0.867 747 Q CB -0.871 27.892 28.738 0.041 0.000 0.911 747 Q HN 0.460 nan 8.270 nan 0.000 0.417 748 N N 0.950 119.611 118.700 -0.066 0.000 2.461 748 N HA -0.055 4.670 4.740 -0.024 0.000 0.188 748 N C -0.269 175.174 175.510 -0.112 0.000 1.134 748 N CA 0.046 53.053 53.050 -0.071 0.000 0.878 748 N CB -0.366 38.111 38.487 -0.017 0.000 0.972 748 N HN 0.376 nan 8.380 nan 0.000 0.456 749 N N 1.244 119.825 118.700 -0.199 0.000 2.696 749 N HA -0.158 4.567 4.740 -0.024 0.000 0.256 749 N C -1.481 173.970 175.510 -0.099 0.000 1.031 749 N CA 0.084 52.998 53.050 -0.227 0.000 0.730 749 N CB -0.398 37.952 38.487 -0.228 0.000 0.894 749 N HN 0.125 nan 8.380 nan 0.000 0.544 750 D N 0.563 120.939 120.400 -0.041 0.000 2.312 750 D HA 0.150 4.776 4.640 -0.024 0.000 0.248 750 D C 1.342 177.674 176.300 0.054 0.000 1.086 750 D CA -0.497 53.519 54.000 0.028 0.000 0.948 750 D CB 1.171 42.016 40.800 0.076 0.000 1.162 750 D HN 0.274 nan 8.370 nan 0.000 0.446 751 I N 0.669 121.288 120.570 0.082 0.000 2.333 751 I HA -0.141 4.015 4.170 -0.024 0.000 0.246 751 I C 0.360 176.555 176.117 0.130 0.000 1.106 751 I CA 0.762 62.132 61.300 0.116 0.000 1.411 751 I CB 0.075 38.150 38.000 0.125 0.000 1.082 751 I HN 0.277 nan 8.210 nan 0.000 0.420 752 D N 0.811 121.291 120.400 0.134 0.000 2.508 752 D HA 0.001 4.627 4.640 -0.024 0.000 0.224 752 D C 0.543 176.988 176.300 0.242 0.000 1.171 752 D CA 0.319 54.423 54.000 0.174 0.000 1.006 752 D CB -0.320 40.572 40.800 0.153 0.000 1.073 752 D HN 0.395 nan 8.370 nan 0.000 0.513 753 T N -2.646 112.012 114.554 0.173 0.000 3.288 753 T HA 0.324 4.660 4.350 -0.024 0.000 0.293 753 T C 1.576 176.244 174.700 -0.054 0.000 1.008 753 T CA -0.125 62.004 62.100 0.048 0.000 0.929 753 T CB 0.310 69.189 68.868 0.017 0.000 1.152 753 T HN 0.184 nan 8.240 nan 0.000 0.517 754 G N 1.470 110.336 108.800 0.110 0.000 2.470 754 G HA2 -0.104 3.842 3.960 -0.024 0.000 0.220 754 G HA3 -0.104 3.842 3.960 -0.024 0.000 0.220 754 G C 1.308 176.241 174.900 0.054 0.000 1.121 754 G CA 0.638 45.790 45.100 0.086 0.000 0.766 754 G HN 0.797 nan 8.290 nan 0.000 0.553 755 W N 0.767 122.078 121.300 0.018 0.000 2.595 755 W HA 0.187 4.833 4.660 -0.024 0.000 0.257 755 W C 1.182 177.632 176.519 -0.116 0.000 1.267 755 W CA -0.163 57.179 57.345 -0.005 0.000 1.300 755 W CB -0.865 28.620 29.460 0.043 0.000 1.120 755 W HN 0.134 nan 8.180 nan 0.000 0.618 756 L N 1.399 122.070 121.223 -0.920 0.000 2.450 756 L HA -0.189 4.137 4.340 -0.024 0.000 0.224 756 L C 1.394 177.623 176.870 -1.067 0.000 1.149 756 L CA 1.358 55.536 54.840 -1.102 0.000 0.816 756 L CB -0.736 40.831 42.059 -0.819 0.000 0.932 756 L HN -0.147 nan 8.230 nan 0.000 0.449 757 D N -1.783 118.243 120.400 -0.622 0.000 2.317 757 D HA -0.028 4.598 4.640 -0.024 0.000 0.211 757 D C -0.290 175.770 176.300 -0.400 0.000 0.966 757 D CA 0.381 54.102 54.000 -0.464 0.000 0.876 757 D CB 0.132 40.817 40.800 -0.192 0.000 0.927 757 D HN 0.041 nan 8.370 nan 0.000 0.519 758 Y N 0.000 120.323 120.300 0.038 0.000 2.660 758 Y HA 0.000 4.536 4.550 -0.024 0.000 0.201 758 Y CA 0.000 58.160 58.100 0.101 0.000 1.940 758 Y CB 0.000 38.482 38.460 0.036 0.000 1.050 758 Y HN 0.000 nan 8.280 nan 0.000 0.758