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 2h5g_1_A DATA FIRST_RESID 361 DATA SEQUENCE PTVEQQGEXA RSGGRXLATL EPEQRAEIIH HLADLLTDQR DEILLANKKD DATA SEQUENCE LEEAEGRLAA PLLKRLSLST SKLNSLAIGL RQIAASSQDS VGRVLRRTRI DATA SEQUENCE AKNLELEQVT VPIGVLLVIF ESRPDCLPQV AALAIASGNG LLLKGGKEAA DATA SEQUENCE HSNRILHLLT QEALSIHGVK EAVQLVNTRE EVXXXXXXXK XIDLIIPRGS DATA SEQUENCE SQLVRDIQKA AKGIPVXGHS EGICHXYVDS EASVDKVTRL VRDSKCEYPA DATA SEQUENCE ACNALETLLI HRDLLRTPLF DQIIDXLRVE QVKIHAGPKF ASXXXXXXXX DATA SEQUENCE XKSLRTEYGD LELCIEVVDN VQDAIDHIHK YGSSHTDVIV TEDENTAEFF DATA SEQUENCE LQHVDSACVF WNASTRFSDG YRFGLGAEVG ISTSRIHARG PVGLEGLLTT DATA SEQUENCE KWLLRGKDHV VSDFSEHGSL KYLHENLPIP QRN 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 361 P HA 0.000 nan 4.420 nan 0.000 0.216 361 P C 0.000 177.299 177.300 -0.001 0.000 1.155 361 P CA 0.000 63.102 63.100 0.004 0.000 0.800 361 P CB 0.000 31.705 31.700 0.009 0.000 0.726 362 T N -0.549 114.005 114.554 -0.001 0.000 2.860 362 T HA 0.154 4.504 4.350 0.000 0.000 0.299 362 T C 1.051 175.748 174.700 -0.004 0.000 1.045 362 T CA 0.202 62.300 62.100 -0.004 0.000 1.071 362 T CB 0.896 69.763 68.868 -0.002 0.000 0.985 362 T HN 0.273 nan 8.240 nan 0.000 0.537 363 V N 2.546 122.456 119.914 -0.007 0.000 2.626 363 V HA -0.051 4.069 4.120 0.000 0.000 0.252 363 V C 2.065 178.158 176.094 -0.003 0.000 1.067 363 V CA 2.056 64.352 62.300 -0.007 0.000 1.081 363 V CB -0.543 31.273 31.823 -0.011 0.000 0.686 363 V HN 0.876 nan 8.190 nan 0.000 0.468 364 E N -0.143 120.056 120.200 -0.002 0.000 2.106 364 E HA -0.212 4.138 4.350 0.000 0.000 0.192 364 E C 2.265 178.867 176.600 0.003 0.000 0.984 364 E CA 1.486 57.887 56.400 0.001 0.000 0.806 364 E CB -0.233 29.468 29.700 0.000 0.000 0.750 364 E HN 0.703 nan 8.360 nan 0.000 0.458 365 Q N 0.028 119.831 119.800 0.004 0.000 2.119 365 Q HA -0.134 4.206 4.340 0.000 0.000 0.201 365 Q C 2.176 178.182 176.000 0.009 0.000 0.972 365 Q CA 1.068 56.875 55.803 0.007 0.000 0.847 365 Q CB -0.001 28.741 28.738 0.006 0.000 0.903 365 Q HN 0.362 nan 8.270 nan 0.000 0.433 366 Q N -0.415 119.390 119.800 0.008 0.000 2.084 366 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 366 Q C 2.172 178.180 176.000 0.013 0.000 0.978 366 Q CA 1.232 57.042 55.803 0.012 0.000 0.844 366 Q CB -0.270 28.471 28.738 0.005 0.000 0.898 366 Q HN 0.494 nan 8.270 nan 0.000 0.426 367 G N 1.053 109.859 108.800 0.009 0.000 2.446 367 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 367 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 367 G C 0.729 175.636 174.900 0.011 0.000 1.168 367 G CA 0.820 45.925 45.100 0.009 0.000 0.771 367 G HN 0.305 nan 8.290 nan 0.000 0.551 371 R N 1.393 121.903 120.500 0.015 0.000 2.062 371 R HA -0.102 4.238 4.340 0.000 0.000 0.229 371 R C 2.329 178.636 176.300 0.011 0.000 1.128 371 R CA 2.451 58.558 56.100 0.012 0.000 0.960 371 R CB -0.187 30.119 30.300 0.010 0.000 0.855 371 R HN 0.624 nan 8.270 nan 0.000 0.432 372 S N -0.729 114.978 115.700 0.013 0.000 2.383 372 S HA -0.028 4.442 4.470 0.000 0.000 0.227 372 S C 2.146 176.754 174.600 0.013 0.000 1.026 372 S CA 0.854 59.061 58.200 0.012 0.000 0.981 372 S CB -0.591 62.616 63.200 0.012 0.000 0.818 372 S HN 0.503 nan 8.310 nan 0.000 0.472 373 G N 1.420 110.230 108.800 0.017 0.000 2.422 373 G HA2 0.108 4.069 3.960 0.000 0.000 0.218 373 G HA3 0.108 4.069 3.960 0.000 0.000 0.218 373 G C 1.420 176.329 174.900 0.016 0.000 1.146 373 G CA 0.624 45.736 45.100 0.019 0.000 0.769 373 G HN 0.651 nan 8.290 nan 0.000 0.547 374 G N 0.624 109.432 108.800 0.014 0.000 2.421 374 G HA2 -0.093 3.867 3.960 0.000 0.000 0.216 374 G HA3 -0.093 3.867 3.960 0.000 0.000 0.216 374 G C 1.242 176.145 174.900 0.005 0.000 1.171 374 G CA 0.171 45.277 45.100 0.010 0.000 0.775 374 G HN 0.418 nan 8.290 nan 0.000 0.543 378 A N 0.254 123.066 122.820 -0.013 0.000 2.070 378 A HA -0.148 4.172 4.320 0.000 0.000 0.220 378 A C 1.964 179.535 177.584 -0.021 0.000 1.159 378 A CA 2.301 54.328 52.037 -0.017 0.000 0.656 378 A CB -0.690 18.302 19.000 -0.013 0.000 0.800 378 A HN 0.571 nan 8.150 nan 0.000 0.453 379 T N -3.201 111.341 114.554 -0.020 0.000 3.065 379 T HA 0.298 4.648 4.350 0.000 0.000 0.252 379 T C 0.561 175.239 174.700 -0.035 0.000 1.099 379 T CA -0.266 61.820 62.100 -0.022 0.000 1.063 379 T CB -0.371 68.489 68.868 -0.014 0.000 0.948 379 T HN 0.024 nan 8.240 nan 0.000 0.506 380 L N 2.505 123.698 121.223 -0.050 0.000 2.492 380 L HA 0.237 4.577 4.340 0.000 0.000 0.280 380 L C 0.689 177.509 176.870 -0.083 0.000 1.240 380 L CA 0.263 55.049 54.840 -0.090 0.000 0.831 380 L CB 0.053 42.035 42.059 -0.129 0.000 1.100 380 L HN 0.251 nan 8.230 nan 0.000 0.505 381 E N 3.309 123.447 120.200 -0.102 0.000 2.398 381 E HA 0.053 4.403 4.350 0.000 0.000 0.263 381 E C -1.598 174.958 176.600 -0.072 0.000 1.046 381 E CA -1.585 54.770 56.400 -0.074 0.000 0.908 381 E CB 0.207 29.865 29.700 -0.069 0.000 0.963 381 E HN 0.370 nan 8.360 nan 0.000 0.431 382 P HA -0.177 nan 4.420 nan 0.000 0.216 382 P C 0.639 177.924 177.300 -0.025 0.000 1.150 382 P CA 1.388 64.469 63.100 -0.032 0.000 0.843 382 P CB 0.332 32.021 31.700 -0.018 0.000 0.787 383 E N -0.639 119.550 120.200 -0.019 0.000 2.204 383 E HA -0.187 4.163 4.350 0.000 0.000 0.195 383 E C 2.078 178.681 176.600 0.005 0.000 0.990 383 E CA 1.077 57.483 56.400 0.010 0.000 0.821 383 E CB -0.665 29.044 29.700 0.015 0.000 0.750 383 E HN 0.445 nan 8.360 nan 0.000 0.477 384 Q N -0.064 119.682 119.800 -0.089 0.000 2.137 384 Q HA 0.028 4.368 4.340 0.000 0.000 0.198 384 Q C 2.128 178.073 176.000 -0.091 0.000 0.960 384 Q CA 0.725 56.392 55.803 -0.226 0.000 0.847 384 Q CB 0.006 28.345 28.738 -0.665 0.000 0.915 384 Q HN 0.182 nan 8.270 nan 0.000 0.448 385 R N 0.506 120.965 120.500 -0.068 0.000 2.081 385 R HA -0.084 4.256 4.340 0.000 0.000 0.235 385 R C 2.298 178.608 176.300 0.017 0.000 1.131 385 R CA 1.161 57.253 56.100 -0.013 0.000 0.960 385 R CB -0.383 29.902 30.300 -0.024 0.000 0.856 385 R HN 0.186 nan 8.270 nan 0.000 0.436 386 A N 1.217 124.048 122.820 0.018 0.000 1.933 386 A HA -0.235 4.085 4.320 0.000 0.000 0.218 386 A C 2.043 179.690 177.584 0.106 0.000 1.175 386 A CA 1.544 53.591 52.037 0.017 0.000 0.628 386 A CB -0.435 18.595 19.000 0.051 0.000 0.814 386 A HN 0.412 nan 8.150 nan 0.000 0.444 387 E N -0.219 120.089 120.200 0.180 0.000 2.077 387 E HA -0.180 4.170 4.350 0.000 0.000 0.193 387 E C 1.857 178.589 176.600 0.219 0.000 0.989 387 E CA 1.300 57.849 56.400 0.247 0.000 0.800 387 E CB -0.231 29.624 29.700 0.258 0.000 0.746 387 E HN 0.680 nan 8.360 nan 0.000 0.452 388 I N 0.752 121.428 120.570 0.177 0.000 2.208 388 I HA -0.299 3.871 4.170 0.000 0.000 0.245 388 I C 2.311 178.503 176.117 0.125 0.000 1.097 388 I CA 1.054 62.435 61.300 0.135 0.000 1.363 388 I CB -0.181 37.884 38.000 0.108 0.000 1.051 388 I HN 0.209 nan 8.210 nan 0.000 0.413 389 I N -0.492 120.119 120.570 0.068 0.000 2.286 389 I HA -0.265 3.905 4.170 0.000 0.000 0.245 389 I C 2.582 178.711 176.117 0.020 0.000 1.104 389 I CA 1.014 62.319 61.300 0.008 0.000 1.397 389 I CB -0.626 37.332 38.000 -0.070 0.000 1.072 389 I HN 0.279 nan 8.210 nan 0.000 0.417 390 H N -0.433 118.683 119.070 0.076 0.000 2.352 390 H HA -0.242 4.314 4.556 0.000 0.000 0.299 390 H C 2.220 177.590 175.328 0.071 0.000 1.097 390 H CA 2.075 58.162 56.048 0.065 0.000 1.311 390 H CB -0.465 29.338 29.762 0.067 0.000 1.377 390 H HN 0.442 nan 8.280 nan 0.000 0.504 391 H N 0.414 119.570 119.070 0.143 0.000 2.353 391 H HA -0.059 4.497 4.556 0.000 0.000 0.300 391 H C 2.554 177.909 175.328 0.044 0.000 1.090 391 H CA 1.252 57.343 56.048 0.072 0.000 1.327 391 H CB -0.223 29.566 29.762 0.045 0.000 1.383 391 H HN 0.162 nan 8.280 nan 0.000 0.508 392 L N -0.271 121.040 121.223 0.147 0.000 2.017 392 L HA -0.186 4.154 4.340 0.000 0.000 0.208 392 L C 2.506 179.382 176.870 0.010 0.000 1.073 392 L CA 1.387 56.267 54.840 0.067 0.000 0.745 392 L CB -0.733 41.360 42.059 0.057 0.000 0.894 392 L HN 0.505 nan 8.230 nan 0.000 0.432 393 A N -0.288 122.545 122.820 0.022 0.000 1.908 393 A HA -0.280 4.041 4.320 0.000 0.000 0.218 393 A C 1.825 179.401 177.584 -0.014 0.000 1.181 393 A CA 2.132 54.175 52.037 0.010 0.000 0.627 393 A CB -0.661 18.362 19.000 0.039 0.000 0.818 393 A HN 0.492 nan 8.150 nan 0.000 0.445 394 D N -0.065 120.311 120.400 -0.039 0.000 2.144 394 D HA -0.101 4.539 4.640 0.000 0.000 0.199 394 D C 1.925 178.157 176.300 -0.113 0.000 0.984 394 D CA 0.967 54.915 54.000 -0.087 0.000 0.834 394 D CB -0.327 40.383 40.800 -0.150 0.000 0.955 394 D HN 0.469 nan 8.370 nan 0.000 0.465 395 L N 0.263 121.400 121.223 -0.144 0.000 2.093 395 L HA -0.111 4.229 4.340 0.000 0.000 0.208 395 L C 2.495 179.335 176.870 -0.051 0.000 1.085 395 L CA 0.471 55.248 54.840 -0.106 0.000 0.755 395 L CB -0.306 41.705 42.059 -0.080 0.000 0.904 395 L HN 0.050 nan 8.230 nan 0.000 0.435 396 L N -0.842 120.359 121.223 -0.037 0.000 2.079 396 L HA -0.224 4.116 4.340 0.000 0.000 0.210 396 L C 2.526 179.380 176.870 -0.026 0.000 1.081 396 L CA 1.494 56.319 54.840 -0.024 0.000 0.752 396 L CB -0.851 41.194 42.059 -0.023 0.000 0.896 396 L HN 0.284 nan 8.230 nan 0.000 0.433 397 T N -1.306 113.229 114.554 -0.032 0.000 2.770 397 T HA -0.114 4.236 4.350 0.000 0.000 0.258 397 T C 1.467 176.150 174.700 -0.029 0.000 1.039 397 T CA 1.119 63.203 62.100 -0.028 0.000 1.143 397 T CB -0.152 68.700 68.868 -0.026 0.000 0.866 397 T HN 0.276 nan 8.240 nan 0.000 0.428 398 D N 1.510 121.886 120.400 -0.040 0.000 2.149 398 D HA -0.065 4.575 4.640 0.000 0.000 0.198 398 D C 1.782 178.066 176.300 -0.027 0.000 0.990 398 D CA 0.982 54.959 54.000 -0.037 0.000 0.839 398 D CB -0.142 40.626 40.800 -0.054 0.000 0.948 398 D HN 0.285 nan 8.370 nan 0.000 0.460 399 Q N 0.458 120.243 119.800 -0.026 0.000 2.212 399 Q HA 0.083 4.423 4.340 0.000 0.000 0.213 399 Q C 1.706 177.700 176.000 -0.010 0.000 0.874 399 Q CA -0.125 55.670 55.803 -0.015 0.000 0.965 399 Q CB 0.368 29.100 28.738 -0.010 0.000 1.074 399 Q HN 0.521 nan 8.270 nan 0.000 0.473 400 R N -0.290 120.202 120.500 -0.014 0.000 2.103 400 R HA -0.168 4.172 4.340 0.000 0.000 0.242 400 R C 0.621 176.916 176.300 -0.008 0.000 1.142 400 R CA 1.639 57.732 56.100 -0.011 0.000 0.960 400 R CB -0.267 30.024 30.300 -0.015 0.000 0.858 400 R HN -0.015 nan 8.270 nan 0.000 0.439 401 D N 0.608 121.003 120.400 -0.009 0.000 2.117 401 D HA -0.121 4.519 4.640 0.000 0.000 0.197 401 D C 2.197 178.493 176.300 -0.006 0.000 0.987 401 D CA 1.750 55.745 54.000 -0.008 0.000 0.829 401 D CB -0.164 40.630 40.800 -0.009 0.000 0.961 401 D HN 0.435 nan 8.370 nan 0.000 0.460 402 E N 0.366 120.564 120.200 -0.003 0.000 2.107 402 E HA -0.069 4.281 4.350 0.000 0.000 0.191 402 E C 2.526 179.130 176.600 0.007 0.000 0.982 402 E CA 0.333 56.734 56.400 0.001 0.000 0.809 402 E CB -0.631 29.072 29.700 0.004 0.000 0.756 402 E HN 0.471 nan 8.360 nan 0.000 0.459 403 I N 0.647 121.222 120.570 0.009 0.000 2.151 403 I HA -0.259 3.912 4.170 0.000 0.000 0.243 403 I C 2.612 178.737 176.117 0.014 0.000 1.080 403 I CA 1.537 62.846 61.300 0.016 0.000 1.339 403 I CB -0.390 37.618 38.000 0.012 0.000 1.039 403 I HN 0.154 nan 8.210 nan 0.000 0.409 404 L N 0.043 121.267 121.223 0.003 0.000 2.156 404 L HA -0.185 4.155 4.340 0.000 0.000 0.208 404 L C 2.928 179.795 176.870 -0.005 0.000 1.095 404 L CA 0.890 55.729 54.840 -0.001 0.000 0.770 404 L CB -0.835 41.220 42.059 -0.007 0.000 0.914 404 L HN 0.351 nan 8.230 nan 0.000 0.439 405 L N -0.768 120.449 121.223 -0.010 0.000 2.056 405 L HA -0.005 4.335 4.340 0.000 0.000 0.207 405 L C 2.809 179.657 176.870 -0.036 0.000 1.078 405 L CA 2.204 57.030 54.840 -0.024 0.000 0.749 405 L CB -1.849 40.196 42.059 -0.025 0.000 0.901 405 L HN 0.339 nan 8.230 nan 0.000 0.433 406 A N -0.818 121.993 122.820 -0.014 0.000 1.930 406 A HA -0.219 4.101 4.320 0.000 0.000 0.217 406 A C 2.291 179.895 177.584 0.034 0.000 1.175 406 A CA 1.477 53.514 52.037 0.001 0.000 0.627 406 A CB -0.835 18.203 19.000 0.063 0.000 0.815 406 A HN 0.767 nan 8.150 nan 0.000 0.443 407 N N -0.196 118.525 118.700 0.036 0.000 2.188 407 N HA -0.180 4.560 4.740 0.000 0.000 0.184 407 N C 1.867 177.391 175.510 0.022 0.000 1.018 407 N CA 1.471 54.547 53.050 0.042 0.000 0.858 407 N CB -0.185 38.322 38.487 0.033 0.000 0.989 407 N HN 0.553 nan 8.380 nan 0.000 0.426 408 K N 1.175 121.574 120.400 -0.002 0.000 2.063 408 K HA -0.138 4.182 4.320 0.000 0.000 0.208 408 K C 2.124 178.710 176.600 -0.024 0.000 1.048 408 K CA 1.104 57.383 56.287 -0.014 0.000 0.928 408 K CB 0.106 32.592 32.500 -0.023 0.000 0.713 408 K HN -0.046 nan 8.250 nan 0.000 0.442 409 K N 0.774 121.136 120.400 -0.063 0.000 2.057 409 K HA -0.126 4.194 4.320 0.000 0.000 0.207 409 K C 1.701 178.308 176.600 0.012 0.000 1.049 409 K CA 1.868 58.085 56.287 -0.115 0.000 0.931 409 K CB -0.608 31.649 32.500 -0.405 0.000 0.714 409 K HN 0.409 nan 8.250 nan 0.000 0.440 410 D N 0.490 120.950 120.400 0.100 0.000 2.104 410 D HA -0.080 4.560 4.640 0.000 0.000 0.194 410 D C 1.940 178.283 176.300 0.072 0.000 0.994 410 D CA 1.225 55.313 54.000 0.146 0.000 0.830 410 D CB -0.247 40.629 40.800 0.127 0.000 0.959 410 D HN 0.189 nan 8.370 nan 0.000 0.452 411 L N 0.701 121.950 121.223 0.043 0.000 2.046 411 L HA -0.165 4.176 4.340 0.000 0.000 0.208 411 L C 2.343 179.225 176.870 0.019 0.000 1.077 411 L CA 1.189 56.044 54.840 0.026 0.000 0.747 411 L CB -0.315 41.752 42.059 0.015 0.000 0.896 411 L HN 0.024 nan 8.230 nan 0.000 0.432 412 E N -0.124 120.084 120.200 0.014 0.000 2.106 412 E HA -0.199 4.151 4.350 0.000 0.000 0.192 412 E C 2.029 178.639 176.600 0.017 0.000 0.984 412 E CA 0.946 57.351 56.400 0.008 0.000 0.806 412 E CB 0.022 29.720 29.700 -0.005 0.000 0.750 412 E HN 0.508 nan 8.360 nan 0.000 0.458 413 E N 0.240 120.460 120.200 0.032 0.000 2.268 413 E HA -0.105 4.245 4.350 0.000 0.000 0.195 413 E C 1.808 178.426 176.600 0.030 0.000 0.995 413 E CA 0.681 57.105 56.400 0.040 0.000 0.836 413 E CB 0.073 29.817 29.700 0.074 0.000 0.763 413 E HN 0.192 nan 8.360 nan 0.000 0.491 414 A N 1.300 124.137 122.820 0.029 0.000 2.030 414 A HA -0.053 4.267 4.320 0.000 0.000 0.215 414 A C 1.182 178.775 177.584 0.016 0.000 1.164 414 A CA 0.036 52.086 52.037 0.021 0.000 0.697 414 A CB 0.095 19.109 19.000 0.024 0.000 0.827 414 A HN 0.117 nan 8.150 nan 0.000 0.457 415 E N 0.033 120.242 120.200 0.014 0.000 2.585 415 E HA 0.321 4.671 4.350 0.000 0.000 0.252 415 E C 1.200 177.806 176.600 0.009 0.000 0.981 415 E CA 0.668 57.074 56.400 0.010 0.000 0.943 415 E CB -0.537 29.168 29.700 0.007 0.000 0.923 415 E HN 1.735 nan 8.360 nan 0.000 0.486 416 G N 4.728 113.534 108.800 0.009 0.000 2.199 416 G HA2 -0.342 3.618 3.960 0.000 0.000 0.254 416 G HA3 -0.342 3.618 3.960 0.000 0.000 0.254 416 G C 0.957 175.861 174.900 0.008 0.000 0.982 416 G CA 0.692 45.797 45.100 0.008 0.000 0.632 416 G HN 0.642 nan 8.290 nan 0.000 0.529 417 R N -1.524 118.981 120.500 0.009 0.000 2.562 417 R HA 0.409 4.749 4.340 0.000 0.000 0.191 417 R C 0.825 177.130 176.300 0.008 0.000 0.835 417 R CA -0.010 56.095 56.100 0.008 0.000 1.036 417 R CB 0.235 30.539 30.300 0.007 0.000 1.437 417 R HN 0.353 nan 8.270 nan 0.000 0.654 418 L N 2.133 123.362 121.223 0.010 0.000 2.397 418 L HA 0.404 4.744 4.340 0.000 0.000 0.271 418 L C -0.159 176.720 176.870 0.014 0.000 1.148 418 L CA -0.312 54.534 54.840 0.011 0.000 0.825 418 L CB 0.947 43.014 42.059 0.013 0.000 1.117 418 L HN 0.194 nan 8.230 nan 0.000 0.456 419 A N 4.373 127.202 122.820 0.014 0.000 2.540 419 A HA 0.412 4.732 4.320 0.000 0.000 0.239 419 A C 1.453 179.053 177.584 0.027 0.000 1.061 419 A CA 0.415 52.463 52.037 0.018 0.000 0.758 419 A CB -0.103 18.906 19.000 0.016 0.000 0.991 419 A HN 1.266 nan 8.150 nan 0.000 0.502 420 A N 4.385 127.223 122.820 0.030 0.000 1.903 420 A HA -0.123 4.197 4.320 0.000 0.000 0.219 420 A C 0.230 177.847 177.584 0.054 0.000 1.191 420 A CA 2.072 54.132 52.037 0.039 0.000 0.638 420 A CB -1.657 17.366 19.000 0.039 0.000 0.823 420 A HN 0.705 nan 8.150 nan 0.000 0.451 421 P HA -0.168 nan 4.420 nan 0.000 0.216 421 P C 1.561 178.906 177.300 0.075 0.000 1.153 421 P CA 1.129 64.272 63.100 0.071 0.000 0.858 421 P CB -0.231 31.499 31.700 0.050 0.000 0.789 422 L N -1.601 119.654 121.223 0.053 0.000 2.072 422 L HA -0.110 4.230 4.340 0.000 0.000 0.205 422 L C 2.656 179.557 176.870 0.051 0.000 1.079 422 L CA 0.626 55.496 54.840 0.050 0.000 0.752 422 L CB -0.966 41.111 42.059 0.030 0.000 0.906 422 L HN -0.057 nan 8.230 nan 0.000 0.436 423 L N 0.269 121.517 121.223 0.043 0.000 2.046 423 L HA -0.225 4.115 4.340 0.000 0.000 0.208 423 L C 2.744 179.636 176.870 0.037 0.000 1.077 423 L CA 1.852 56.713 54.840 0.035 0.000 0.747 423 L CB -0.697 41.378 42.059 0.028 0.000 0.896 423 L HN -0.013 nan 8.230 nan 0.000 0.432 424 K N -0.280 120.150 120.400 0.051 0.000 2.147 424 K HA -0.102 4.218 4.320 0.000 0.000 0.205 424 K C 2.161 178.785 176.600 0.040 0.000 1.049 424 K CA 1.632 57.942 56.287 0.038 0.000 0.936 424 K CB -0.404 32.145 32.500 0.082 0.000 0.722 424 K HN 0.588 nan 8.250 nan 0.000 0.446 425 R N -0.284 120.267 120.500 0.086 0.000 2.310 425 R HA 0.177 4.517 4.340 0.000 0.000 0.202 425 R C 1.789 178.131 176.300 0.071 0.000 0.933 425 R CA 0.273 56.431 56.100 0.097 0.000 1.054 425 R CB -0.046 30.334 30.300 0.133 0.000 0.985 425 R HN 0.149 nan 8.270 nan 0.000 0.489 426 L N 0.375 121.629 121.223 0.051 0.000 2.307 426 L HA 0.091 4.431 4.340 0.000 0.000 0.211 426 L C 0.476 177.369 176.870 0.038 0.000 1.099 426 L CA 0.798 55.667 54.840 0.049 0.000 0.816 426 L CB 0.139 42.223 42.059 0.041 0.000 0.952 426 L HN -0.043 nan 8.230 nan 0.000 0.455 427 S N 0.098 115.809 115.700 0.019 0.000 2.565 427 S HA 0.452 4.922 4.470 0.000 0.000 0.276 427 S C -0.274 174.328 174.600 0.004 0.000 1.326 427 S CA -0.570 57.634 58.200 0.007 0.000 1.045 427 S CB 0.858 64.051 63.200 -0.011 0.000 0.918 427 S HN 0.168 nan 8.310 nan 0.000 0.505 428 L N 2.913 124.139 121.223 0.005 0.000 2.325 428 L HA 0.483 4.823 4.340 0.000 0.000 0.281 428 L C 0.285 177.148 176.870 -0.012 0.000 1.004 428 L CA -0.508 54.331 54.840 -0.002 0.000 0.823 428 L CB 1.979 44.044 42.059 0.010 0.000 1.236 428 L HN 0.983 nan 8.230 nan 0.000 0.415 429 S N 0.132 115.818 115.700 -0.023 0.000 2.638 429 S HA 0.214 4.684 4.470 0.000 0.000 0.298 429 S C 0.822 175.406 174.600 -0.027 0.000 1.111 429 S CA -0.388 57.797 58.200 -0.026 0.000 1.027 429 S CB 1.824 65.004 63.200 -0.034 0.000 1.064 429 S HN 0.613 nan 8.310 nan 0.000 0.525 430 T N 0.955 115.495 114.554 -0.024 0.000 2.803 430 T HA -0.151 4.199 4.350 0.000 0.000 0.269 430 T C 1.920 176.602 174.700 -0.031 0.000 1.052 430 T CA 2.161 64.247 62.100 -0.024 0.000 1.136 430 T CB -0.738 68.118 68.868 -0.019 0.000 0.864 430 T HN 0.711 nan 8.240 nan 0.000 0.467 431 S N -0.176 115.504 115.700 -0.033 0.000 2.345 431 S HA -0.125 4.346 4.470 0.000 0.000 0.220 431 S C 2.299 176.863 174.600 -0.060 0.000 1.031 431 S CA 2.036 60.213 58.200 -0.039 0.000 0.996 431 S CB -0.517 62.663 63.200 -0.034 0.000 0.882 431 S HN 0.463 nan 8.310 nan 0.000 0.445 432 K N 0.800 121.163 120.400 -0.062 0.000 2.032 432 K HA 0.086 4.406 4.320 0.000 0.000 0.209 432 K C 2.241 178.786 176.600 -0.091 0.000 1.048 432 K CA 1.491 57.729 56.287 -0.081 0.000 0.927 432 K CB -1.170 31.295 32.500 -0.058 0.000 0.712 432 K HN 0.630 nan 8.250 nan 0.000 0.441 433 L N 0.912 122.098 121.223 -0.062 0.000 2.127 433 L HA -0.164 4.176 4.340 0.000 0.000 0.211 433 L C 2.593 179.423 176.870 -0.066 0.000 1.089 433 L CA 1.906 56.713 54.840 -0.055 0.000 0.757 433 L CB -0.535 41.504 42.059 -0.034 0.000 0.899 433 L HN 0.402 nan 8.230 nan 0.000 0.434 434 N N -0.528 118.132 118.700 -0.066 0.000 2.188 434 N HA -0.143 4.597 4.740 0.000 0.000 0.184 434 N C 1.851 177.303 175.510 -0.097 0.000 1.018 434 N CA 1.567 54.581 53.050 -0.060 0.000 0.858 434 N CB 0.074 38.538 38.487 -0.038 0.000 0.989 434 N HN 0.101 nan 8.380 nan 0.000 0.426 435 S N 0.180 115.776 115.700 -0.173 0.000 2.387 435 S HA 0.031 4.501 4.470 0.000 0.000 0.226 435 S C 1.932 176.290 174.600 -0.404 0.000 1.026 435 S CA 0.533 58.508 58.200 -0.376 0.000 0.972 435 S CB -0.278 62.602 63.200 -0.532 0.000 0.814 435 S HN 0.290 nan 8.310 nan 0.000 0.477 436 L N 1.414 122.488 121.223 -0.247 0.000 1.990 436 L HA -0.212 4.128 4.340 0.000 0.000 0.213 436 L C 2.871 179.688 176.870 -0.088 0.000 1.072 436 L CA 1.448 56.196 54.840 -0.153 0.000 0.755 436 L CB -0.796 41.206 42.059 -0.096 0.000 0.889 436 L HN 0.341 nan 8.230 nan 0.000 0.432 437 A N 0.184 122.964 122.820 -0.066 0.000 1.883 437 A HA -0.201 4.119 4.320 0.000 0.000 0.217 437 A C 2.206 179.792 177.584 0.003 0.000 1.186 437 A CA 1.761 53.783 52.037 -0.024 0.000 0.624 437 A CB -0.759 18.231 19.000 -0.018 0.000 0.822 437 A HN 0.372 nan 8.150 nan 0.000 0.444 438 I N -0.304 120.264 120.570 -0.002 0.000 2.208 438 I HA -0.220 3.950 4.170 0.000 0.000 0.245 438 I C 2.686 178.880 176.117 0.130 0.000 1.097 438 I CA 1.228 62.572 61.300 0.073 0.000 1.363 438 I CB -0.577 37.494 38.000 0.119 0.000 1.051 438 I HN 0.399 nan 8.210 nan 0.000 0.413 439 G N 0.724 109.586 108.800 0.104 0.000 2.402 439 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 439 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 439 G C 1.555 176.512 174.900 0.094 0.000 1.162 439 G CA 0.409 45.631 45.100 0.203 0.000 0.777 439 G HN 0.153 nan 8.290 nan 0.000 0.539 440 L N 0.446 121.688 121.223 0.031 0.000 2.083 440 L HA 0.021 4.361 4.340 0.000 0.000 0.209 440 L C 2.963 179.810 176.870 -0.038 0.000 1.083 440 L CA 1.312 56.150 54.840 -0.004 0.000 0.752 440 L CB -0.458 41.593 42.059 -0.014 0.000 0.899 440 L HN 0.151 nan 8.230 nan 0.000 0.433 441 R N -1.098 119.401 120.500 -0.002 0.000 2.092 441 R HA -0.152 4.188 4.340 0.000 0.000 0.231 441 R C 2.215 178.509 176.300 -0.010 0.000 1.119 441 R CA 1.076 57.166 56.100 -0.016 0.000 0.970 441 R CB -0.321 30.047 30.300 0.113 0.000 0.864 441 R HN 0.509 nan 8.270 nan 0.000 0.440 442 Q N 0.496 120.320 119.800 0.041 0.000 2.084 442 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 442 Q C 2.148 178.153 176.000 0.010 0.000 0.978 442 Q CA 1.368 57.197 55.803 0.044 0.000 0.844 442 Q CB -0.118 28.667 28.738 0.078 0.000 0.898 442 Q HN 0.357 nan 8.270 nan 0.000 0.426 443 I N 0.518 121.087 120.570 -0.002 0.000 2.142 443 I HA -0.311 3.859 4.170 0.000 0.000 0.240 443 I C 2.459 178.536 176.117 -0.065 0.000 1.078 443 I CA 1.082 62.370 61.300 -0.020 0.000 1.343 443 I CB -0.501 37.489 38.000 -0.016 0.000 1.046 443 I HN 0.173 nan 8.210 nan 0.000 0.405 444 A N 0.709 123.437 122.820 -0.153 0.000 1.917 444 A HA -0.237 4.083 4.320 0.000 0.000 0.219 444 A C 2.449 179.959 177.584 -0.123 0.000 1.182 444 A CA 2.215 54.099 52.037 -0.256 0.000 0.633 444 A CB -0.939 17.598 19.000 -0.772 0.000 0.819 444 A HN 0.477 nan 8.150 nan 0.000 0.448 445 A N -0.618 122.166 122.820 -0.060 0.000 2.119 445 A HA 0.123 4.443 4.320 0.000 0.000 0.216 445 A C 2.160 179.757 177.584 0.023 0.000 1.152 445 A CA 1.833 53.893 52.037 0.037 0.000 0.708 445 A CB -0.441 18.605 19.000 0.076 0.000 0.805 445 A HN 1.073 nan 8.150 nan 0.000 0.460 446 S N -1.085 114.617 115.700 0.004 0.000 2.559 446 S HA 0.070 4.540 4.470 0.000 0.000 0.226 446 S C 1.194 175.794 174.600 0.001 0.000 1.000 446 S CA 0.699 58.903 58.200 0.007 0.000 0.948 446 S CB -0.318 62.887 63.200 0.009 0.000 0.870 446 S HN 0.699 nan 8.310 nan 0.000 0.497 447 S N 0.352 116.049 115.700 -0.006 0.000 2.572 447 S HA 0.266 4.736 4.470 0.000 0.000 0.228 447 S C 1.359 175.954 174.600 -0.008 0.000 0.963 447 S CA -0.465 57.730 58.200 -0.009 0.000 0.939 447 S CB -0.210 62.980 63.200 -0.016 0.000 0.804 447 S HN 0.478 nan 8.310 nan 0.000 0.480 448 Q N 1.583 121.381 119.800 -0.003 0.000 2.230 448 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 448 Q C 0.836 176.831 176.000 -0.009 0.000 0.963 448 Q CA 1.402 57.203 55.803 -0.004 0.000 0.866 448 Q CB -0.132 28.609 28.738 0.005 0.000 0.931 448 Q HN 0.820 nan 8.270 nan 0.000 0.452 449 D N -1.124 119.270 120.400 -0.009 0.000 2.358 449 D HA 0.057 4.697 4.640 0.000 0.000 0.224 449 D C 0.955 177.244 176.300 -0.018 0.000 1.123 449 D CA 0.044 54.036 54.000 -0.014 0.000 0.833 449 D CB 0.361 41.153 40.800 -0.012 0.000 0.946 449 D HN -0.173 nan 8.370 nan 0.000 0.505 450 S N -0.548 115.142 115.700 -0.017 0.000 2.345 450 S HA 0.034 4.504 4.470 0.000 0.000 0.219 450 S C 0.963 175.548 174.600 -0.025 0.000 1.031 450 S CA 0.280 58.469 58.200 -0.019 0.000 0.984 450 S CB 0.214 63.406 63.200 -0.015 0.000 0.874 450 S HN 0.209 nan 8.310 nan 0.000 0.451 451 V N 1.139 121.038 119.914 -0.025 0.000 2.432 451 V HA 0.592 4.712 4.120 0.000 0.000 0.275 451 V C 1.116 177.192 176.094 -0.032 0.000 1.043 451 V CA 0.242 62.525 62.300 -0.028 0.000 0.925 451 V CB 0.325 32.133 31.823 -0.025 0.000 0.985 451 V HN 0.620 nan 8.190 nan 0.000 0.466 452 G N 4.059 112.836 108.800 -0.039 0.000 2.143 452 G HA2 -0.278 3.682 3.960 0.000 0.000 0.249 452 G HA3 -0.278 3.682 3.960 0.000 0.000 0.249 452 G C 0.389 175.262 174.900 -0.045 0.000 0.981 452 G CA 0.349 45.425 45.100 -0.041 0.000 0.665 452 G HN 0.768 nan 8.290 nan 0.000 0.528 453 R N 0.217 120.688 120.500 -0.049 0.000 2.489 453 R HA 0.411 4.751 4.340 0.000 0.000 0.287 453 R C 0.467 176.726 176.300 -0.067 0.000 1.053 453 R CA -0.274 55.797 56.100 -0.049 0.000 1.036 453 R CB 0.477 30.749 30.300 -0.046 0.000 0.966 453 R HN 0.078 nan 8.270 nan 0.000 0.432 454 V N 7.654 127.532 119.914 -0.060 0.000 2.427 454 V HA 0.021 4.141 4.120 0.000 0.000 0.268 454 V C 1.235 177.280 176.094 -0.081 0.000 1.046 454 V CA 0.072 62.328 62.300 -0.073 0.000 0.970 454 V CB 1.080 32.873 31.823 -0.049 0.000 1.001 454 V HN 0.839 nan 8.190 nan 0.000 0.476 455 L N 4.357 125.507 121.223 -0.123 0.000 2.253 455 L HA 0.302 4.642 4.340 0.000 0.000 0.205 455 L C 1.013 177.821 176.870 -0.104 0.000 1.078 455 L CA 0.749 55.515 54.840 -0.123 0.000 0.805 455 L CB 0.030 41.980 42.059 -0.183 0.000 0.963 455 L HN 0.519 nan 8.230 nan 0.000 0.459 456 R N -0.378 120.049 120.500 -0.123 0.000 2.698 456 R HA 0.569 4.909 4.340 0.000 0.000 0.275 456 R C -0.935 175.350 176.300 -0.024 0.000 1.001 456 R CA -0.691 55.376 56.100 -0.056 0.000 0.896 456 R CB 2.758 33.038 30.300 -0.034 0.000 1.218 456 R HN -0.084 nan 8.270 nan 0.000 0.462 457 R N 1.317 121.826 120.500 0.016 0.000 2.510 457 R HA 0.360 4.700 4.340 0.000 0.000 0.294 457 R C -1.633 174.700 176.300 0.054 0.000 1.056 457 R CA -0.254 55.865 56.100 0.032 0.000 0.918 457 R CB 2.169 32.478 30.300 0.015 0.000 1.187 457 R HN 0.632 nan 8.270 nan 0.000 0.437 458 T N 3.330 117.931 114.554 0.077 0.000 2.881 458 T HA 0.295 4.645 4.350 0.000 0.000 0.290 458 T C -0.722 174.027 174.700 0.082 0.000 1.000 458 T CA -0.691 61.462 62.100 0.088 0.000 0.978 458 T CB 1.617 70.554 68.868 0.115 0.000 0.997 458 T HN 0.450 nan 8.240 nan 0.000 0.443 459 R N 4.107 124.651 120.500 0.073 0.000 2.272 459 R HA 0.196 4.536 4.340 0.000 0.000 0.334 459 R C 1.028 177.370 176.300 0.070 0.000 1.117 459 R CA -0.448 55.687 56.100 0.059 0.000 0.966 459 R CB -0.223 30.106 30.300 0.048 0.000 1.049 459 R HN 0.510 nan 8.270 nan 0.000 0.477 460 I N 2.398 123.003 120.570 0.058 0.000 2.179 460 I HA -0.083 4.088 4.170 0.000 0.000 0.242 460 I C 1.066 177.184 176.117 0.001 0.000 1.088 460 I CA 1.314 62.642 61.300 0.047 0.000 1.357 460 I CB -1.175 36.837 38.000 0.020 0.000 1.051 460 I HN 0.667 nan 8.210 nan 0.000 0.409 461 A N -0.270 122.563 122.820 0.021 0.000 2.599 461 A HA 0.390 4.710 4.320 0.000 0.000 0.290 461 A C -0.160 177.458 177.584 0.057 0.000 1.101 461 A CA -0.721 51.363 52.037 0.079 0.000 0.674 461 A CB 0.838 19.972 19.000 0.223 0.000 1.277 461 A HN 0.056 nan 8.150 nan 0.000 0.419 462 K N 1.152 121.601 120.400 0.081 0.000 2.491 462 K HA 0.016 4.336 4.320 0.000 0.000 0.279 462 K C -0.060 176.607 176.600 0.113 0.000 1.026 462 K CA 1.044 57.378 56.287 0.079 0.000 1.070 462 K CB -0.150 32.392 32.500 0.071 0.000 0.887 462 K HN 0.635 nan 8.250 nan 0.000 0.481 463 N N 1.212 119.963 118.700 0.084 0.000 2.741 463 N HA -0.240 4.500 4.740 0.000 0.000 0.251 463 N C -1.193 174.341 175.510 0.039 0.000 1.112 463 N CA 0.948 54.064 53.050 0.110 0.000 0.750 463 N CB -0.902 37.705 38.487 0.200 0.000 1.119 463 N HN 0.393 nan 8.380 nan 0.000 0.561 464 L N 0.903 122.073 121.223 -0.088 0.000 2.471 464 L HA 0.378 4.718 4.340 0.000 0.000 0.263 464 L C -0.915 175.911 176.870 -0.073 0.000 0.985 464 L CA -0.272 54.438 54.840 -0.217 0.000 0.868 464 L CB 1.182 42.908 42.059 -0.554 0.000 1.203 464 L HN -0.080 nan 8.230 nan 0.000 0.429 465 E N 4.393 124.580 120.200 -0.023 0.000 2.171 465 E HA 0.464 4.814 4.350 0.000 0.000 0.271 465 E C -1.340 175.284 176.600 0.038 0.000 0.916 465 E CA -0.666 55.745 56.400 0.018 0.000 0.774 465 E CB 2.907 32.623 29.700 0.027 0.000 1.128 465 E HN 0.477 nan 8.360 nan 0.000 0.403 466 L N 2.331 123.593 121.223 0.065 0.000 2.346 466 L HA 0.414 4.754 4.340 0.000 0.000 0.274 466 L C -0.563 176.371 176.870 0.106 0.000 1.007 466 L CA -0.262 54.642 54.840 0.108 0.000 0.818 466 L CB 1.369 43.517 42.059 0.149 0.000 1.284 466 L HN 0.545 nan 8.230 nan 0.000 0.424 467 E N 3.172 123.435 120.200 0.104 0.000 2.340 467 E HA 0.409 4.759 4.350 0.000 0.000 0.273 467 E C -1.671 174.910 176.600 -0.032 0.000 0.891 467 E CA -0.950 55.471 56.400 0.035 0.000 0.757 467 E CB 1.822 31.522 29.700 -0.000 0.000 1.231 467 E HN 0.607 nan 8.360 nan 0.000 0.439 468 Q N 2.208 121.874 119.800 -0.223 0.000 2.322 468 Q HA 0.481 4.821 4.340 0.000 0.000 0.265 468 Q C -1.020 174.766 176.000 -0.356 0.000 0.985 468 Q CA -0.844 54.622 55.803 -0.562 0.000 0.849 468 Q CB 1.953 29.999 28.738 -1.154 0.000 1.274 468 Q HN 0.593 nan 8.270 nan 0.000 0.449 469 V N 0.307 120.042 119.914 -0.299 0.000 3.074 469 V HA 0.718 4.838 4.120 0.000 0.000 0.314 469 V C -0.108 175.883 176.094 -0.171 0.000 1.117 469 V CA -0.694 61.496 62.300 -0.184 0.000 1.014 469 V CB 1.523 33.280 31.823 -0.109 0.000 1.057 469 V HN 0.857 nan 8.190 nan 0.000 0.438 470 T N 0.970 115.453 114.554 -0.119 0.000 2.897 470 T HA 0.729 5.079 4.350 0.000 0.000 0.294 470 T C -0.055 174.605 174.700 -0.067 0.000 1.004 470 T CA 0.093 62.139 62.100 -0.091 0.000 1.106 470 T CB 1.064 69.892 68.868 -0.068 0.000 0.949 470 T HN 2.073 nan 8.240 nan 0.000 0.520 471 V N -1.024 118.857 119.914 -0.055 0.000 3.159 471 V HA 0.794 4.914 4.120 0.000 0.000 0.308 471 V C -3.176 172.902 176.094 -0.027 0.000 1.190 471 V CA -3.189 59.089 62.300 -0.037 0.000 1.037 471 V CB 1.484 33.288 31.823 -0.032 0.000 1.060 471 V HN 0.690 nan 8.190 nan 0.000 0.437 472 P HA 0.428 nan 4.420 nan 0.000 0.272 472 P C 0.922 178.214 177.300 -0.013 0.000 1.230 472 P CA -0.091 62.999 63.100 -0.015 0.000 0.788 472 P CB 0.704 32.397 31.700 -0.011 0.000 0.949 473 I N 0.031 120.593 120.570 -0.013 0.000 2.394 473 I HA -0.108 4.062 4.170 0.000 0.000 0.251 473 I C 1.594 177.705 176.117 -0.009 0.000 1.136 473 I CA 2.046 63.338 61.300 -0.013 0.000 1.425 473 I CB -0.532 37.455 38.000 -0.021 0.000 1.079 473 I HN 0.685 nan 8.210 nan 0.000 0.425 474 G N -0.224 108.572 108.800 -0.007 0.000 1.695 474 G HA2 -0.122 3.838 3.960 0.000 0.000 0.089 474 G HA3 -0.122 3.838 3.960 0.000 0.000 0.089 474 G C -0.604 174.295 174.900 -0.001 0.000 1.061 474 G CA -0.238 44.860 45.100 -0.003 0.000 1.207 474 G HN -0.076 nan 8.290 nan 0.000 0.389 475 V N 2.266 122.180 119.914 -0.001 0.000 2.487 475 V HA 0.688 4.808 4.120 0.000 0.000 0.298 475 V C 0.095 176.189 176.094 -0.000 0.000 1.028 475 V CA -0.550 61.752 62.300 0.003 0.000 0.860 475 V CB 1.315 33.141 31.823 0.006 0.000 0.991 475 V HN 0.597 nan 8.190 nan 0.000 0.427 476 L N 5.078 126.302 121.223 0.002 0.000 2.322 476 L HA 0.621 4.961 4.340 0.000 0.000 0.279 476 L C -0.683 176.193 176.870 0.011 0.000 1.036 476 L CA -0.737 54.103 54.840 0.000 0.000 0.807 476 L CB 1.613 43.670 42.059 -0.003 0.000 1.226 476 L HN 0.435 nan 8.230 nan 0.000 0.433 477 L N 3.644 124.874 121.223 0.011 0.000 2.319 477 L HA 0.527 4.867 4.340 0.000 0.000 0.281 477 L C -0.709 176.184 176.870 0.039 0.000 1.005 477 L CA -0.241 54.614 54.840 0.026 0.000 0.828 477 L CB 1.686 43.756 42.059 0.018 0.000 1.227 477 L HN 0.262 nan 8.230 nan 0.000 0.415 478 V N 7.026 126.983 119.914 0.072 0.000 2.370 478 V HA 0.451 4.571 4.120 0.000 0.000 0.283 478 V C 0.121 176.351 176.094 0.227 0.000 1.023 478 V CA -0.315 62.050 62.300 0.108 0.000 0.857 478 V CB 1.379 33.231 31.823 0.050 0.000 0.985 478 V HN 0.595 nan 8.190 nan 0.000 0.443 479 I N 7.012 127.696 120.570 0.190 0.000 2.359 479 I HA 0.482 4.652 4.170 0.000 0.000 0.284 479 I C -0.569 175.681 176.117 0.222 0.000 1.018 479 I CA -0.269 61.122 61.300 0.151 0.000 1.173 479 I CB 0.530 38.559 38.000 0.048 0.000 1.326 479 I HN 0.624 nan 8.210 nan 0.000 0.462 480 F N 3.588 123.528 119.950 -0.017 0.000 2.540 480 F HA 0.704 5.231 4.527 0.000 0.000 0.317 480 F C -0.300 175.494 175.800 -0.010 0.000 1.104 480 F CA -0.980 57.014 58.000 -0.011 0.000 0.913 480 F CB 1.129 40.128 39.000 -0.002 0.000 1.170 480 F HN 0.370 nan 8.300 nan 0.000 0.450 481 E N 1.996 122.215 120.200 0.031 0.000 2.231 481 E HA 0.484 4.834 4.350 0.000 0.000 0.277 481 E C 0.217 176.845 176.600 0.046 0.000 0.999 481 E CA -0.787 55.590 56.400 -0.038 0.000 0.827 481 E CB 1.745 31.434 29.700 -0.019 0.000 1.101 481 E HN 0.963 nan 8.360 nan 0.000 0.393 482 S N 2.792 118.495 115.700 0.005 0.000 3.736 482 S HA -0.378 4.092 4.470 0.000 0.000 0.627 482 S C 0.148 174.860 174.600 0.187 0.000 2.426 482 S CA 1.592 59.832 58.200 0.067 0.000 4.022 482 S CB -0.909 62.332 63.200 0.068 0.000 0.237 482 S HN 0.952 nan 8.310 nan 0.000 0.967 483 R N -0.589 120.020 120.500 0.181 0.000 3.251 483 R HA -0.137 4.204 4.340 0.000 0.000 0.249 483 R C -1.968 174.479 176.300 0.244 0.000 0.949 483 R CA 0.669 56.892 56.100 0.204 0.000 0.645 483 R CB -1.643 28.788 30.300 0.218 0.000 1.065 483 R HN 0.612 nan 8.270 nan 0.000 0.452 484 P HA -0.211 nan 4.420 nan 0.000 0.221 484 P C 0.813 178.163 177.300 0.083 0.000 1.145 484 P CA 1.650 64.872 63.100 0.202 0.000 0.795 484 P CB 0.017 31.801 31.700 0.140 0.000 0.775 485 D N 0.267 120.695 120.400 0.045 0.000 2.309 485 D HA -0.149 4.491 4.640 0.000 0.000 0.212 485 D C 1.836 178.103 176.300 -0.055 0.000 0.968 485 D CA 0.941 54.938 54.000 -0.005 0.000 0.882 485 D CB -1.455 39.342 40.800 -0.005 0.000 0.918 485 D HN 0.296 nan 8.370 nan 0.000 0.503 486 C N -0.694 118.542 119.300 -0.107 0.000 2.514 486 C HA 0.271 4.731 4.460 0.000 0.000 0.271 486 C C 2.643 177.447 174.990 -0.309 0.000 1.399 486 C CA -0.463 58.430 59.018 -0.209 0.000 1.765 486 C CB -1.734 25.853 27.740 -0.255 0.000 1.893 486 C HN 0.316 nan 8.230 nan 0.000 0.531 487 L N 2.005 123.037 121.223 -0.320 0.000 1.970 487 L HA -0.009 4.331 4.340 0.000 0.000 0.212 487 L C -0.137 176.666 176.870 -0.111 0.000 1.071 487 L CA 2.274 56.965 54.840 -0.249 0.000 0.751 487 L CB -1.188 40.847 42.059 -0.039 0.000 0.889 487 L HN 0.170 nan 8.230 nan 0.000 0.432 488 P HA -0.183 nan 4.420 nan 0.000 0.218 488 P C 1.263 178.537 177.300 -0.042 0.000 1.149 488 P CA 1.390 64.471 63.100 -0.033 0.000 0.817 488 P CB -0.083 31.604 31.700 -0.022 0.000 0.785 489 Q N -0.241 119.522 119.800 -0.062 0.000 2.050 489 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 489 Q C 2.210 178.180 176.000 -0.050 0.000 0.980 489 Q CA 1.993 57.768 55.803 -0.046 0.000 0.840 489 Q CB -0.758 27.952 28.738 -0.046 0.000 0.898 489 Q HN 0.246 nan 8.270 nan 0.000 0.424 490 V N -2.240 117.621 119.914 -0.089 0.000 2.591 490 V HA -0.002 4.118 4.120 0.000 0.000 0.249 490 V C 2.120 178.187 176.094 -0.044 0.000 1.053 490 V CA 1.391 63.645 62.300 -0.076 0.000 1.068 490 V CB -0.964 30.785 31.823 -0.123 0.000 0.689 490 V HN 0.245 nan 8.190 nan 0.000 0.462 491 A N 1.023 123.820 122.820 -0.038 0.000 1.873 491 A HA 0.111 4.431 4.320 0.000 0.000 0.215 491 A C 2.504 180.086 177.584 -0.003 0.000 1.186 491 A CA 2.260 54.294 52.037 -0.005 0.000 0.616 491 A CB -1.135 17.873 19.000 0.014 0.000 0.823 491 A HN 0.928 nan 8.150 nan 0.000 0.442 492 A N -0.408 122.407 122.820 -0.009 0.000 1.933 492 A HA -0.024 4.296 4.320 0.000 0.000 0.218 492 A C 2.161 179.740 177.584 -0.008 0.000 1.175 492 A CA 1.485 53.517 52.037 -0.008 0.000 0.628 492 A CB -0.556 18.437 19.000 -0.011 0.000 0.814 492 A HN 0.471 nan 8.150 nan 0.000 0.444 493 L N -1.057 120.160 121.223 -0.009 0.000 2.109 493 L HA -0.133 4.207 4.340 0.000 0.000 0.207 493 L C 3.081 179.947 176.870 -0.005 0.000 1.086 493 L CA 0.882 55.719 54.840 -0.005 0.000 0.760 493 L CB -0.483 41.574 42.059 -0.003 0.000 0.910 493 L HN 0.438 nan 8.230 nan 0.000 0.437 494 A N 0.537 123.353 122.820 -0.006 0.000 1.855 494 A HA -0.173 4.147 4.320 0.000 0.000 0.215 494 A C 2.196 179.780 177.584 -0.000 0.000 1.191 494 A CA 1.411 53.447 52.037 -0.003 0.000 0.613 494 A CB -0.663 18.338 19.000 0.002 0.000 0.829 494 A HN 0.303 nan 8.150 nan 0.000 0.442 495 I N 0.022 120.593 120.570 0.002 0.000 2.151 495 I HA -0.352 3.818 4.170 0.000 0.000 0.243 495 I C 2.890 179.005 176.117 -0.004 0.000 1.080 495 I CA 1.394 62.696 61.300 0.003 0.000 1.339 495 I CB -0.346 37.659 38.000 0.008 0.000 1.039 495 I HN 0.360 nan 8.210 nan 0.000 0.409 496 A N 0.217 123.032 122.820 -0.008 0.000 2.067 496 A HA -0.139 4.181 4.320 0.000 0.000 0.219 496 A C 2.230 179.807 177.584 -0.012 0.000 1.158 496 A CA 1.806 53.836 52.037 -0.013 0.000 0.661 496 A CB -0.510 18.481 19.000 -0.015 0.000 0.801 496 A HN 0.545 nan 8.150 nan 0.000 0.452 497 S N -2.468 113.226 115.700 -0.009 0.000 2.557 497 S HA 0.428 4.898 4.470 0.000 0.000 0.223 497 S C 1.196 175.789 174.600 -0.011 0.000 0.969 497 S CA 0.777 58.971 58.200 -0.011 0.000 0.927 497 S CB -0.034 63.161 63.200 -0.009 0.000 0.806 497 S HN 1.807 nan 8.310 nan 0.000 0.489 498 G N 1.747 110.541 108.800 -0.010 0.000 2.147 498 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 498 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 498 G C -0.265 174.632 174.900 -0.005 0.000 1.005 498 G CA -0.186 44.909 45.100 -0.009 0.000 0.713 498 G HN 0.515 nan 8.290 nan 0.000 0.515 499 N N 0.247 118.946 118.700 -0.002 0.000 2.492 499 N HA 0.577 5.317 4.740 0.000 0.000 0.289 499 N C 0.722 176.236 175.510 0.007 0.000 1.133 499 N CA 0.450 53.499 53.050 0.000 0.000 0.961 499 N CB 1.480 39.966 38.487 -0.002 0.000 1.186 499 N HN 0.367 nan 8.380 nan 0.000 0.493 500 G N 0.139 108.944 108.800 0.009 0.000 2.448 500 G HA2 0.510 4.470 3.960 0.000 0.000 0.285 500 G HA3 0.510 4.470 3.960 0.000 0.000 0.285 500 G C -0.911 174.000 174.900 0.019 0.000 1.176 500 G CA -0.106 45.004 45.100 0.017 0.000 0.852 500 G HN 0.401 nan 8.290 nan 0.000 0.530 501 L N 0.699 121.940 121.223 0.030 0.000 2.464 501 L HA 0.641 4.981 4.340 0.000 0.000 0.266 501 L C -1.168 175.729 176.870 0.045 0.000 0.965 501 L CA -0.601 54.259 54.840 0.034 0.000 0.833 501 L CB 1.949 44.029 42.059 0.035 0.000 1.296 501 L HN 0.430 nan 8.230 nan 0.000 0.405 502 L N 5.638 126.885 121.223 0.040 0.000 2.322 502 L HA 0.581 4.921 4.340 0.000 0.000 0.281 502 L C -1.012 175.897 176.870 0.064 0.000 1.014 502 L CA -0.654 54.210 54.840 0.040 0.000 0.815 502 L CB 1.822 43.895 42.059 0.024 0.000 1.247 502 L HN 0.536 nan 8.230 nan 0.000 0.421 503 L N 3.845 125.114 121.223 0.076 0.000 2.305 503 L HA 0.468 4.808 4.340 0.000 0.000 0.284 503 L C -0.347 176.591 176.870 0.114 0.000 1.013 503 L CA -0.501 54.449 54.840 0.182 0.000 0.819 503 L CB 1.566 43.762 42.059 0.228 0.000 1.227 503 L HN 0.367 nan 8.230 nan 0.000 0.417 504 K N 2.660 123.130 120.400 0.116 0.000 2.521 504 K HA 0.610 4.930 4.320 0.000 0.000 0.248 504 K C -0.260 176.127 176.600 -0.355 0.000 0.978 504 K CA -0.283 55.958 56.287 -0.077 0.000 0.947 504 K CB 1.322 33.794 32.500 -0.047 0.000 1.165 504 K HN 0.577 nan 8.250 nan 0.000 0.445 505 G N 1.146 109.603 108.800 -0.570 0.000 2.552 505 G HA2 0.618 4.578 3.960 0.000 0.000 0.318 505 G HA3 0.618 4.578 3.960 0.000 0.000 0.318 505 G C -0.474 174.122 174.900 -0.506 0.000 1.240 505 G CA -0.822 43.665 45.100 -1.021 0.000 1.002 505 G HN 0.632 nan 8.290 nan 0.000 0.493 506 G N -1.736 106.809 108.800 -0.425 0.000 2.488 506 G HA2 0.407 4.368 3.960 0.000 0.000 0.318 506 G HA3 0.407 4.368 3.960 0.000 0.000 0.318 506 G C 0.879 175.676 174.900 -0.172 0.000 1.188 506 G CA -0.261 44.701 45.100 -0.230 0.000 0.944 506 G HN 0.496 nan 8.290 nan 0.000 0.495 507 K N 0.138 120.463 120.400 -0.125 0.000 2.063 507 K HA -0.111 4.209 4.320 0.000 0.000 0.208 507 K C 2.574 179.118 176.600 -0.093 0.000 1.048 507 K CA 1.945 58.167 56.287 -0.108 0.000 0.928 507 K CB -0.347 32.105 32.500 -0.080 0.000 0.713 507 K HN 0.828 nan 8.250 nan 0.000 0.442 508 E N 0.506 120.666 120.200 -0.068 0.000 2.209 508 E HA -0.143 4.207 4.350 0.000 0.000 0.196 508 E C 1.382 177.970 176.600 -0.019 0.000 0.993 508 E CA 1.748 58.128 56.400 -0.032 0.000 0.819 508 E CB -0.266 29.422 29.700 -0.019 0.000 0.745 508 E HN 0.388 nan 8.360 nan 0.000 0.477 509 A N 0.314 123.106 122.820 -0.047 0.000 2.535 509 A HA 0.650 4.970 4.320 0.000 0.000 0.273 509 A C 1.981 179.545 177.584 -0.033 0.000 1.267 509 A CA 0.441 52.472 52.037 -0.010 0.000 0.940 509 A CB 0.141 19.149 19.000 0.014 0.000 1.101 509 A HN 0.284 nan 8.150 nan 0.000 0.521 510 A N -0.018 122.733 122.820 -0.115 0.000 1.917 510 A HA -0.225 4.095 4.320 0.000 0.000 0.219 510 A C 1.980 179.469 177.584 -0.160 0.000 1.182 510 A CA 1.873 53.799 52.037 -0.186 0.000 0.633 510 A CB -0.826 17.995 19.000 -0.297 0.000 0.819 510 A HN 0.648 nan 8.150 nan 0.000 0.448 511 H N -0.426 118.651 119.070 0.012 0.000 2.363 511 H HA -0.011 4.545 4.556 0.000 0.000 0.301 511 H C 2.609 177.957 175.328 0.035 0.000 1.074 511 H CA 1.523 57.583 56.048 0.021 0.000 1.354 511 H CB -0.388 29.383 29.762 0.015 0.000 1.397 511 H HN 0.501 nan 8.280 nan 0.000 0.516 512 S N 1.272 117.066 115.700 0.157 0.000 2.348 512 S HA -0.130 4.340 4.470 0.000 0.000 0.221 512 S C 1.993 176.662 174.600 0.116 0.000 1.033 512 S CA 1.101 59.371 58.200 0.117 0.000 1.010 512 S CB -0.117 63.145 63.200 0.103 0.000 0.891 512 S HN 0.456 nan 8.310 nan 0.000 0.442 513 N N 1.224 119.993 118.700 0.115 0.000 2.104 513 N HA -0.095 4.645 4.740 0.000 0.000 0.190 513 N C 1.954 177.546 175.510 0.136 0.000 1.024 513 N CA 0.804 53.942 53.050 0.145 0.000 0.853 513 N CB -0.613 37.944 38.487 0.118 0.000 1.008 513 N HN 0.185 nan 8.380 nan 0.000 0.424 514 R N 1.003 121.560 120.500 0.095 0.000 2.080 514 R HA 0.037 4.377 4.340 0.000 0.000 0.236 514 R C 2.263 178.646 176.300 0.139 0.000 1.137 514 R CA 1.102 57.268 56.100 0.109 0.000 0.943 514 R CB -1.131 29.213 30.300 0.074 0.000 0.846 514 R HN 0.476 nan 8.270 nan 0.000 0.431 515 I N -0.119 120.520 120.570 0.115 0.000 2.315 515 I HA -0.143 4.027 4.170 0.000 0.000 0.248 515 I C 2.128 178.296 176.117 0.085 0.000 1.117 515 I CA 1.524 62.878 61.300 0.090 0.000 1.404 515 I CB -0.043 38.001 38.000 0.072 0.000 1.071 515 I HN 0.279 nan 8.210 nan 0.000 0.419 516 L N -0.054 121.230 121.223 0.102 0.000 2.083 516 L HA -0.266 4.074 4.340 0.000 0.000 0.209 516 L C 2.679 179.613 176.870 0.107 0.000 1.083 516 L CA 1.379 56.273 54.840 0.090 0.000 0.752 516 L CB -1.003 41.112 42.059 0.093 0.000 0.899 516 L HN 0.426 nan 8.230 nan 0.000 0.433 517 H N -0.245 118.859 119.070 0.056 0.000 2.326 517 H HA -0.177 4.379 4.556 0.000 0.000 0.301 517 H C 2.378 177.732 175.328 0.044 0.000 1.081 517 H CA 1.820 57.899 56.048 0.052 0.000 1.334 517 H CB 0.124 29.921 29.762 0.058 0.000 1.385 517 H HN 0.213 nan 8.280 nan 0.000 0.504 518 L N 1.105 122.313 121.223 -0.025 0.000 1.990 518 L HA -0.186 4.154 4.340 0.000 0.000 0.213 518 L C 2.838 179.662 176.870 -0.076 0.000 1.072 518 L CA 1.775 56.575 54.840 -0.066 0.000 0.755 518 L CB -1.360 40.714 42.059 0.025 0.000 0.889 518 L HN 0.452 nan 8.230 nan 0.000 0.432 519 L N -1.004 120.205 121.223 -0.023 0.000 2.083 519 L HA -0.182 4.158 4.340 0.000 0.000 0.209 519 L C 2.590 179.455 176.870 -0.008 0.000 1.083 519 L CA 1.945 56.785 54.840 -0.000 0.000 0.752 519 L CB -1.158 40.910 42.059 0.015 0.000 0.899 519 L HN 0.387 nan 8.230 nan 0.000 0.433 520 T N -1.000 113.526 114.554 -0.045 0.000 2.746 520 T HA -0.216 4.134 4.350 0.000 0.000 0.267 520 T C 1.924 176.578 174.700 -0.078 0.000 1.039 520 T CA 1.225 63.299 62.100 -0.043 0.000 1.142 520 T CB -0.127 68.718 68.868 -0.038 0.000 0.866 520 T HN 0.374 nan 8.240 nan 0.000 0.444 521 Q N 0.346 120.040 119.800 -0.177 0.000 2.123 521 Q HA -0.090 4.250 4.340 0.000 0.000 0.199 521 Q C 2.403 178.354 176.000 -0.081 0.000 0.966 521 Q CA 1.015 56.721 55.803 -0.161 0.000 0.845 521 Q CB -0.115 28.465 28.738 -0.264 0.000 0.907 521 Q HN 0.625 nan 8.270 nan 0.000 0.439 522 E N 0.484 120.653 120.200 -0.052 0.000 2.085 522 E HA -0.213 4.137 4.350 0.000 0.000 0.194 522 E C 1.852 178.435 176.600 -0.029 0.000 0.994 522 E CA 1.062 57.454 56.400 -0.013 0.000 0.801 522 E CB -0.010 29.715 29.700 0.043 0.000 0.743 522 E HN 0.332 nan 8.360 nan 0.000 0.453 523 A N 0.746 123.589 122.820 0.038 0.000 1.898 523 A HA -0.133 4.187 4.320 0.000 0.000 0.216 523 A C 2.174 179.718 177.584 -0.066 0.000 1.181 523 A CA 1.099 53.155 52.037 0.032 0.000 0.620 523 A CB -0.624 18.465 19.000 0.148 0.000 0.819 523 A HN 0.299 nan 8.150 nan 0.000 0.442 524 L N 0.654 121.858 121.223 -0.032 0.000 2.131 524 L HA -0.177 4.163 4.340 0.000 0.000 0.210 524 L C 2.941 179.784 176.870 -0.044 0.000 1.092 524 L CA 1.432 56.261 54.840 -0.018 0.000 0.759 524 L CB -0.479 41.574 42.059 -0.010 0.000 0.903 524 L HN 0.611 nan 8.230 nan 0.000 0.435 525 S N 0.789 116.442 115.700 -0.078 0.000 2.419 525 S HA -0.209 4.261 4.470 0.000 0.000 0.235 525 S C 1.969 176.487 174.600 -0.138 0.000 1.019 525 S CA 1.235 59.383 58.200 -0.086 0.000 0.982 525 S CB -0.906 62.246 63.200 -0.081 0.000 0.789 525 S HN 0.611 nan 8.310 nan 0.000 0.490 526 I N -1.253 119.178 120.570 -0.233 0.000 2.454 526 I HA -0.103 4.067 4.170 0.000 0.000 0.254 526 I C 1.338 177.146 176.117 -0.516 0.000 1.156 526 I CA 1.597 62.669 61.300 -0.380 0.000 1.433 526 I CB -0.647 37.059 38.000 -0.490 0.000 1.082 526 I HN 0.280 nan 8.210 nan 0.000 0.432 527 H N 1.260 120.296 119.070 -0.056 0.000 2.581 527 H HA 0.326 4.882 4.556 0.000 0.000 0.275 527 H C 1.310 176.623 175.328 -0.026 0.000 1.126 527 H CA 0.300 56.328 56.048 -0.033 0.000 1.097 527 H CB 0.686 30.434 29.762 -0.024 0.000 1.626 527 H HN 0.538 nan 8.280 nan 0.000 0.565 528 G N 1.701 110.516 108.800 0.024 0.000 2.221 528 G HA2 -0.290 3.670 3.960 0.000 0.000 0.265 528 G HA3 -0.290 3.670 3.960 0.000 0.000 0.265 528 G C 0.684 175.599 174.900 0.025 0.000 1.041 528 G CA 0.669 45.778 45.100 0.016 0.000 0.807 528 G HN 0.411 nan 8.290 nan 0.000 0.502 529 V N -3.222 116.710 119.914 0.029 0.000 2.915 529 V HA 0.440 4.560 4.120 0.000 0.000 0.364 529 V C 1.758 177.862 176.094 0.017 0.000 1.354 529 V CA 0.374 62.691 62.300 0.028 0.000 1.213 529 V CB 0.264 32.110 31.823 0.039 0.000 1.268 529 V HN 0.279 nan 8.190 nan 0.000 0.557 530 K N 0.899 121.302 120.400 0.005 0.000 2.113 530 K HA -0.195 4.125 4.320 0.000 0.000 0.208 530 K C 1.817 178.429 176.600 0.020 0.000 1.047 530 K CA 2.249 58.535 56.287 -0.003 0.000 0.928 530 K CB -0.021 32.472 32.500 -0.012 0.000 0.716 530 K HN 0.632 nan 8.250 nan 0.000 0.446 531 E N 0.227 120.443 120.200 0.027 0.000 2.331 531 E HA -0.165 4.185 4.350 0.000 0.000 0.199 531 E C 1.825 178.452 176.600 0.046 0.000 1.008 531 E CA 0.631 57.054 56.400 0.039 0.000 0.843 531 E CB -0.053 29.665 29.700 0.030 0.000 0.761 531 E HN 0.345 nan 8.360 nan 0.000 0.507 532 A N 0.812 123.656 122.820 0.039 0.000 2.015 532 A HA -0.050 4.270 4.320 0.000 0.000 0.219 532 A C 1.178 178.795 177.584 0.055 0.000 1.163 532 A CA 0.687 52.747 52.037 0.038 0.000 0.646 532 A CB 0.370 19.387 19.000 0.029 0.000 0.806 532 A HN 0.046 nan 8.150 nan 0.000 0.448 533 V N 1.833 121.796 119.914 0.081 0.000 2.349 533 V HA 0.294 4.414 4.120 0.000 0.000 0.284 533 V C -0.976 175.256 176.094 0.231 0.000 1.014 533 V CA -0.779 61.599 62.300 0.130 0.000 0.826 533 V CB 1.345 33.244 31.823 0.127 0.000 1.009 533 V HN 0.407 nan 8.190 nan 0.000 0.431 534 Q N 3.211 123.099 119.800 0.147 0.000 2.245 534 Q HA 0.559 4.899 4.340 0.000 0.000 0.256 534 Q C -0.905 175.062 176.000 -0.057 0.000 0.942 534 Q CA -0.824 55.035 55.803 0.094 0.000 0.896 534 Q CB 3.023 31.787 28.738 0.044 0.000 1.272 534 Q HN 0.607 nan 8.270 nan 0.000 0.442 535 L N 2.558 123.601 121.223 -0.300 0.000 2.272 535 L HA 0.330 4.670 4.340 0.000 0.000 0.289 535 L C -0.944 175.818 176.870 -0.180 0.000 1.032 535 L CA -0.497 54.115 54.840 -0.380 0.000 0.810 535 L CB 1.423 43.027 42.059 -0.759 0.000 1.205 535 L HN 0.321 nan 8.230 nan 0.000 0.422 536 V N 5.232 125.080 119.914 -0.109 0.000 2.498 536 V HA 0.247 4.367 4.120 0.000 0.000 0.279 536 V C 0.601 176.642 176.094 -0.088 0.000 1.048 536 V CA -0.766 61.489 62.300 -0.075 0.000 0.967 536 V CB 1.123 32.917 31.823 -0.048 0.000 0.988 536 V HN 0.772 nan 8.190 nan 0.000 0.473 537 N N 2.861 121.518 118.700 -0.072 0.000 2.458 537 N HA -0.009 4.731 4.740 0.000 0.000 0.258 537 N C 1.179 176.644 175.510 -0.075 0.000 1.219 537 N CA 0.333 53.341 53.050 -0.070 0.000 0.902 537 N CB 1.398 39.855 38.487 -0.051 0.000 1.076 537 N HN 0.743 nan 8.380 nan 0.000 0.455 538 T N 3.083 117.585 114.554 -0.087 0.000 3.139 538 T HA -0.124 4.226 4.350 0.000 0.000 0.267 538 T C 2.063 176.722 174.700 -0.069 0.000 1.164 538 T CA 1.378 63.423 62.100 -0.092 0.000 1.075 538 T CB -0.132 68.672 68.868 -0.106 0.000 0.904 538 T HN 0.686 nan 8.240 nan 0.000 0.540 539 R N 1.943 122.409 120.500 -0.057 0.000 2.096 539 R HA -0.011 4.329 4.340 0.000 0.000 0.235 539 R C 1.178 177.454 176.300 -0.040 0.000 1.127 539 R CA 1.039 57.113 56.100 -0.043 0.000 0.968 539 R CB -0.760 29.518 30.300 -0.036 0.000 0.861 539 R HN 0.514 nan 8.270 nan 0.000 0.440 540 E N 0.344 120.518 120.200 -0.043 0.000 2.366 540 E HA 0.418 4.768 4.350 0.000 0.000 0.266 540 E C -0.111 176.467 176.600 -0.037 0.000 1.051 540 E CA 0.443 56.822 56.400 -0.036 0.000 0.884 540 E CB 0.833 30.513 29.700 -0.033 0.000 1.006 540 E HN 0.677 nan 8.360 nan 0.000 0.417 541 E N 1.439 121.621 120.200 -0.030 0.000 2.250 541 E HA 0.485 4.835 4.350 0.000 0.000 0.265 541 E C -0.116 176.469 176.600 -0.025 0.000 1.033 541 E CA -0.761 55.622 56.400 -0.028 0.000 0.888 541 E CB 0.955 30.641 29.700 -0.023 0.000 1.151 541 E HN 0.275 nan 8.360 nan 0.000 0.412 553 D N 4.447 124.843 120.400 -0.007 0.000 2.366 553 D HA 0.282 4.922 4.640 0.000 0.000 0.205 553 D C -0.006 176.281 176.300 -0.022 0.000 1.022 553 D CA 0.860 54.854 54.000 -0.011 0.000 0.868 553 D CB 1.504 42.298 40.800 -0.010 0.000 0.953 553 D HN 0.188 nan 8.370 nan 0.000 0.514 554 L N 1.189 122.398 121.223 -0.024 0.000 2.565 554 L HA 0.363 4.703 4.340 0.000 0.000 0.261 554 L C -1.670 175.184 176.870 -0.027 0.000 0.932 554 L CA -0.496 54.321 54.840 -0.039 0.000 0.878 554 L CB 2.670 44.696 42.059 -0.055 0.000 1.333 554 L HN -0.269 nan 8.230 nan 0.000 0.409 555 I N 4.873 125.426 120.570 -0.029 0.000 2.377 555 I HA 0.417 4.587 4.170 0.000 0.000 0.293 555 I C -0.531 175.574 176.117 -0.019 0.000 0.987 555 I CA -0.456 60.835 61.300 -0.015 0.000 1.185 555 I CB 1.935 39.930 38.000 -0.008 0.000 1.341 555 I HN 0.403 nan 8.210 nan 0.000 0.455 556 I N 8.271 128.839 120.570 -0.005 0.000 2.437 556 I HA 0.308 4.478 4.170 0.000 0.000 0.279 556 I C -2.390 173.736 176.117 0.015 0.000 1.028 556 I CA -1.783 59.514 61.300 -0.005 0.000 1.142 556 I CB 1.488 39.482 38.000 -0.010 0.000 1.266 556 I HN 0.279 nan 8.210 nan 0.000 0.461 557 P HA 0.349 nan 4.420 nan 0.000 0.285 557 P C -0.995 176.305 177.300 0.000 0.000 1.259 557 P CA -0.679 62.427 63.100 0.009 0.000 0.794 557 P CB 1.096 32.785 31.700 -0.017 0.000 0.940 558 R N 2.107 122.637 120.500 0.050 0.000 2.467 558 R HA 0.717 5.058 4.340 0.000 0.000 0.299 558 R C 0.278 176.617 176.300 0.066 0.000 1.120 558 R CA -0.389 55.742 56.100 0.050 0.000 0.940 558 R CB 1.471 31.831 30.300 0.098 0.000 1.161 558 R HN 0.875 nan 8.270 nan 0.000 0.506 559 G N 0.318 109.125 108.800 0.012 0.000 2.392 559 G HA2 0.052 4.012 3.960 0.000 0.000 0.260 559 G HA3 0.052 4.012 3.960 0.000 0.000 0.260 559 G C -0.941 173.955 174.900 -0.006 0.000 1.226 559 G CA -0.275 44.836 45.100 0.018 0.000 0.913 559 G HN 0.399 nan 8.290 nan 0.000 0.483 560 S N -0.037 115.662 115.700 -0.001 0.000 2.584 560 S HA 0.408 4.878 4.470 0.000 0.000 0.270 560 S C 1.541 176.132 174.600 -0.014 0.000 1.346 560 S CA 0.894 59.092 58.200 -0.003 0.000 1.018 560 S CB 1.367 64.567 63.200 -0.000 0.000 0.899 560 S HN 1.093 nan 8.310 nan 0.000 0.542 561 S N 1.747 117.443 115.700 -0.006 0.000 2.387 561 S HA -0.173 4.297 4.470 0.000 0.000 0.230 561 S C 2.631 177.224 174.600 -0.010 0.000 1.035 561 S CA 1.718 59.914 58.200 -0.006 0.000 1.014 561 S CB -1.319 61.881 63.200 0.001 0.000 0.836 561 S HN 0.936 nan 8.310 nan 0.000 0.466 562 Q N 1.178 120.972 119.800 -0.010 0.000 2.020 562 Q HA 0.006 4.346 4.340 0.000 0.000 0.202 562 Q C 2.231 178.224 176.000 -0.012 0.000 0.982 562 Q CA 1.777 57.574 55.803 -0.010 0.000 0.838 562 Q CB -1.251 27.481 28.738 -0.009 0.000 0.899 562 Q HN 0.537 nan 8.270 nan 0.000 0.423 563 L N 0.180 121.395 121.223 -0.013 0.000 2.012 563 L HA -0.124 4.216 4.340 0.000 0.000 0.210 563 L C 2.545 179.404 176.870 -0.018 0.000 1.073 563 L CA 2.078 56.909 54.840 -0.015 0.000 0.748 563 L CB -0.475 41.575 42.059 -0.014 0.000 0.891 563 L HN 0.283 nan 8.230 nan 0.000 0.431 564 V N 0.176 120.075 119.914 -0.025 0.000 2.407 564 V HA -0.278 3.842 4.120 0.000 0.000 0.248 564 V C 3.188 179.270 176.094 -0.019 0.000 1.055 564 V CA 2.308 64.588 62.300 -0.033 0.000 1.049 564 V CB -1.169 30.616 31.823 -0.062 0.000 0.662 564 V HN 0.666 nan 8.190 nan 0.000 0.455 565 R N -0.053 120.439 120.500 -0.014 0.000 2.161 565 R HA -0.027 4.313 4.340 0.000 0.000 0.213 565 R C 1.973 178.269 176.300 -0.007 0.000 1.055 565 R CA 1.848 57.944 56.100 -0.007 0.000 0.996 565 R CB -1.862 28.435 30.300 -0.005 0.000 0.901 565 R HN 0.706 nan 8.270 nan 0.000 0.456 566 D N 0.768 121.162 120.400 -0.010 0.000 2.144 566 D HA 0.011 4.651 4.640 0.000 0.000 0.200 566 D C 1.995 178.289 176.300 -0.009 0.000 0.978 566 D CA 1.378 55.373 54.000 -0.009 0.000 0.833 566 D CB -0.224 40.570 40.800 -0.011 0.000 0.961 566 D HN 0.532 nan 8.370 nan 0.000 0.470 567 I N -0.280 120.284 120.570 -0.010 0.000 2.233 567 I HA -0.189 3.981 4.170 0.000 0.000 0.243 567 I C 2.939 179.053 176.117 -0.006 0.000 1.093 567 I CA 0.992 62.287 61.300 -0.008 0.000 1.380 567 I CB -0.329 37.666 38.000 -0.009 0.000 1.067 567 I HN 0.221 nan 8.210 nan 0.000 0.413 568 Q N 0.466 120.263 119.800 -0.004 0.000 2.173 568 Q HA -0.264 4.076 4.340 0.000 0.000 0.208 568 Q C 2.470 178.470 176.000 0.000 0.000 0.989 568 Q CA 2.151 57.954 55.803 0.000 0.000 0.872 568 Q CB -0.071 28.669 28.738 0.003 0.000 0.909 568 Q HN 0.284 nan 8.270 nan 0.000 0.420 569 K N -0.574 119.825 120.400 -0.002 0.000 2.044 569 K HA 0.045 4.365 4.320 0.000 0.000 0.204 569 K C 1.975 178.574 176.600 -0.003 0.000 1.049 569 K CA 0.912 57.198 56.287 -0.002 0.000 0.945 569 K CB -0.496 32.002 32.500 -0.004 0.000 0.724 569 K HN 0.420 nan 8.250 nan 0.000 0.440 570 A N 0.492 123.309 122.820 -0.004 0.000 2.119 570 A HA 0.316 4.636 4.320 0.000 0.000 0.217 570 A C 1.560 179.141 177.584 -0.004 0.000 1.153 570 A CA 0.967 53.001 52.037 -0.005 0.000 0.692 570 A CB -0.305 18.690 19.000 -0.007 0.000 0.799 570 A HN 0.387 nan 8.150 nan 0.000 0.458 571 A N 1.421 124.239 122.820 -0.003 0.000 2.923 571 A HA 0.463 4.783 4.320 0.000 0.000 0.306 571 A C 0.367 177.951 177.584 -0.000 0.000 1.542 571 A CA -0.353 51.682 52.037 -0.002 0.000 1.225 571 A CB -0.814 18.184 19.000 -0.003 0.000 1.147 571 A HN 0.358 nan 8.150 nan 0.000 0.542 572 K N 0.841 121.241 120.400 -0.000 0.000 2.258 572 K HA 0.726 5.046 4.320 0.000 0.000 0.284 572 K C 1.086 177.686 176.600 0.001 0.000 1.051 572 K CA -0.025 56.262 56.287 0.001 0.000 0.923 572 K CB 0.657 33.157 32.500 0.001 0.000 1.046 572 K HN 2.099 nan 8.250 nan 0.000 0.474 573 G N 1.870 110.671 108.800 0.003 0.000 3.642 573 G HA2 -0.218 3.742 3.960 0.000 0.000 0.205 573 G HA3 -0.218 3.742 3.960 0.000 0.000 0.205 573 G C 0.141 175.041 174.900 0.001 0.000 1.526 573 G CA -0.216 44.885 45.100 0.002 0.000 1.097 573 G HN 0.781 nan 8.290 nan 0.000 0.596 574 I N 4.502 125.071 120.570 -0.002 0.000 2.533 574 I HA 0.285 4.455 4.170 0.000 0.000 0.284 574 I C -1.584 174.527 176.117 -0.009 0.000 1.109 574 I CA -1.521 59.775 61.300 -0.007 0.000 1.412 574 I CB 0.059 38.054 38.000 -0.008 0.000 1.396 574 I HN 0.171 nan 8.210 nan 0.000 0.543 575 P HA 0.217 nan 4.420 nan 0.000 0.269 575 P C -0.243 177.033 177.300 -0.040 0.000 1.209 575 P CA -0.028 63.055 63.100 -0.027 0.000 0.776 575 P CB 1.411 33.078 31.700 -0.054 0.000 0.876 579 H N -2.104 117.007 119.070 0.068 0.000 2.894 579 H HA 0.716 5.272 4.556 0.000 0.000 0.367 579 H C 0.404 175.769 175.328 0.061 0.000 1.144 579 H CA -0.051 56.044 56.048 0.078 0.000 1.180 579 H CB 1.873 31.718 29.762 0.138 0.000 1.758 579 H HN 0.672 nan 8.280 nan 0.000 0.541 580 S N 1.258 117.037 115.700 0.132 0.000 2.535 580 S HA 0.127 4.598 4.470 0.000 0.000 0.214 580 S C 0.112 174.799 174.600 0.146 0.000 0.980 580 S CA 0.260 58.506 58.200 0.077 0.000 0.907 580 S CB -0.437 62.787 63.200 0.040 0.000 0.790 580 S HN 0.852 nan 8.310 nan 0.000 0.510 581 E N -1.022 119.324 120.200 0.243 0.000 2.390 581 E HA 0.561 4.911 4.350 0.000 0.000 0.280 581 E C -0.877 175.748 176.600 0.041 0.000 0.992 581 E CA -1.289 55.183 56.400 0.121 0.000 0.790 581 E CB 0.924 30.653 29.700 0.048 0.000 1.248 581 E HN 0.097 nan 8.360 nan 0.000 0.447 582 G N 2.676 111.419 108.800 -0.096 0.000 4.713 582 G HA2 0.413 4.373 3.960 0.000 0.000 0.318 582 G HA3 0.413 4.373 3.960 0.000 0.000 0.318 582 G C -0.540 174.247 174.900 -0.189 0.000 1.435 582 G CA -0.488 44.438 45.100 -0.289 0.000 0.965 582 G HN 0.437 nan 8.290 nan 0.000 0.542 583 I N 1.603 122.116 120.570 -0.095 0.000 2.278 583 I HA 0.194 4.364 4.170 0.000 0.000 0.296 583 I C 0.118 176.181 176.117 -0.090 0.000 1.121 583 I CA -0.331 60.913 61.300 -0.092 0.000 1.267 583 I CB 0.421 38.405 38.000 -0.026 0.000 1.447 583 I HN 0.141 nan 8.210 nan 0.000 0.509 584 C N 4.685 123.895 119.300 -0.150 0.000 2.355 584 C HA 0.567 5.027 4.460 0.000 0.000 0.332 584 C C 0.349 175.260 174.990 -0.131 0.000 1.255 584 C CA -0.541 58.440 59.018 -0.062 0.000 1.792 584 C CB 0.356 28.057 27.740 -0.064 0.000 2.300 584 C HN 0.650 nan 8.230 nan 0.000 0.515 588 V N 6.344 126.038 119.914 -0.366 0.000 2.339 588 V HA 0.179 4.299 4.120 0.000 0.000 0.261 588 V C 0.237 175.853 176.094 -0.796 0.000 1.058 588 V CA -0.151 61.896 62.300 -0.421 0.000 0.897 588 V CB 0.687 32.429 31.823 -0.135 0.000 1.052 588 V HN 0.775 nan 8.190 nan 0.000 0.480 589 D N 3.536 123.398 120.400 -0.897 0.000 2.357 589 D HA 0.095 4.735 4.640 0.000 0.000 0.242 589 D C 1.568 177.664 176.300 -0.339 0.000 1.153 589 D CA 0.572 54.147 54.000 -0.708 0.000 0.918 589 D CB 1.425 41.989 40.800 -0.394 0.000 1.181 589 D HN 0.523 nan 8.370 nan 0.000 0.435 590 S N 1.426 116.852 115.700 -0.457 0.000 2.419 590 S HA -0.179 4.291 4.470 0.000 0.000 0.235 590 S C 1.055 175.503 174.600 -0.253 0.000 1.019 590 S CA 0.855 58.743 58.200 -0.520 0.000 0.982 590 S CB -0.166 62.429 63.200 -1.008 0.000 0.789 590 S HN 0.535 nan 8.310 nan 0.000 0.490 591 E N 1.702 121.783 120.200 -0.199 0.000 2.394 591 E HA 0.476 4.826 4.350 0.000 0.000 0.191 591 E C 0.295 176.858 176.600 -0.061 0.000 1.044 591 E CA 0.071 56.410 56.400 -0.102 0.000 0.939 591 E CB 0.134 29.792 29.700 -0.069 0.000 1.089 591 E HN 0.663 nan 8.360 nan 0.000 0.456 592 A N 1.120 123.888 122.820 -0.087 0.000 2.477 592 A HA 0.136 4.456 4.320 0.000 0.000 0.246 592 A C 0.610 178.179 177.584 -0.025 0.000 1.078 592 A CA -0.057 51.947 52.037 -0.053 0.000 0.770 592 A CB 0.412 19.360 19.000 -0.087 0.000 1.011 592 A HN 0.081 nan 8.150 nan 0.000 0.494 593 S N 2.006 117.702 115.700 -0.006 0.000 2.488 593 S HA 0.112 4.582 4.470 0.000 0.000 0.278 593 S C 1.171 175.765 174.600 -0.010 0.000 1.259 593 S CA -0.015 58.181 58.200 -0.007 0.000 1.061 593 S CB 0.558 63.754 63.200 -0.007 0.000 0.910 593 S HN 1.284 nan 8.310 nan 0.000 0.491 594 V N 4.739 124.648 119.914 -0.008 0.000 2.568 594 V HA -0.117 4.003 4.120 0.000 0.000 0.253 594 V C 1.573 177.662 176.094 -0.007 0.000 1.072 594 V CA 2.297 64.594 62.300 -0.005 0.000 1.084 594 V CB -0.435 31.388 31.823 0.001 0.000 0.676 594 V HN 0.911 nan 8.190 nan 0.000 0.469 595 D N -0.759 119.635 120.400 -0.009 0.000 2.347 595 D HA -0.049 4.591 4.640 0.000 0.000 0.215 595 D C 1.955 178.247 176.300 -0.013 0.000 0.976 595 D CA 0.785 54.778 54.000 -0.011 0.000 0.884 595 D CB 0.197 40.989 40.800 -0.013 0.000 0.915 595 D HN 0.546 nan 8.370 nan 0.000 0.526 596 K N -0.171 120.221 120.400 -0.013 0.000 2.365 596 K HA 0.089 4.409 4.320 0.000 0.000 0.195 596 K C 2.069 178.666 176.600 -0.005 0.000 1.079 596 K CA 0.026 56.306 56.287 -0.012 0.000 0.979 596 K CB 0.870 33.358 32.500 -0.020 0.000 0.929 596 K HN -0.120 nan 8.250 nan 0.000 0.523 597 V N 1.665 121.574 119.914 -0.008 0.000 2.261 597 V HA -0.247 3.873 4.120 0.000 0.000 0.246 597 V C 2.089 178.178 176.094 -0.008 0.000 1.047 597 V CA 2.208 64.503 62.300 -0.009 0.000 1.015 597 V CB -0.663 31.149 31.823 -0.017 0.000 0.642 597 V HN 0.332 nan 8.190 nan 0.000 0.446 598 T N 1.057 115.602 114.554 -0.015 0.000 2.684 598 T HA -0.226 4.124 4.350 0.000 0.000 0.267 598 T C 1.942 176.637 174.700 -0.008 0.000 1.036 598 T CA 2.002 64.089 62.100 -0.021 0.000 1.148 598 T CB -0.340 68.512 68.868 -0.027 0.000 0.863 598 T HN 0.666 nan 8.240 nan 0.000 0.436 599 R N 1.122 121.623 120.500 0.002 0.000 2.148 599 R HA 0.088 4.428 4.340 0.000 0.000 0.227 599 R C 2.278 178.596 176.300 0.030 0.000 1.103 599 R CA 1.037 57.144 56.100 0.013 0.000 0.983 599 R CB -0.778 29.530 30.300 0.014 0.000 0.874 599 R HN 0.328 nan 8.270 nan 0.000 0.451 600 L N 1.110 122.354 121.223 0.036 0.000 2.027 600 L HA -0.109 4.231 4.340 0.000 0.000 0.206 600 L C 2.544 179.450 176.870 0.060 0.000 1.074 600 L CA 0.899 55.778 54.840 0.064 0.000 0.745 600 L CB -0.263 41.835 42.059 0.065 0.000 0.898 600 L HN 0.006 nan 8.230 nan 0.000 0.433 601 V N -0.374 119.559 119.914 0.033 0.000 2.307 601 V HA -0.276 3.845 4.120 0.000 0.000 0.245 601 V C 2.630 178.733 176.094 0.015 0.000 1.045 601 V CA 1.731 64.044 62.300 0.021 0.000 1.024 601 V CB -0.711 31.108 31.823 -0.006 0.000 0.651 601 V HN 0.443 nan 8.190 nan 0.000 0.449 602 R N 0.176 120.679 120.500 0.006 0.000 2.096 602 R HA -0.276 4.064 4.340 0.000 0.000 0.240 602 R C 2.138 178.449 176.300 0.019 0.000 1.139 602 R CA 2.615 58.717 56.100 0.004 0.000 0.952 602 R CB -0.526 29.773 30.300 -0.002 0.000 0.854 602 R HN 0.638 nan 8.270 nan 0.000 0.436 603 D N -0.557 119.862 120.400 0.031 0.000 2.097 603 D HA -0.081 4.559 4.640 0.000 0.000 0.197 603 D C 1.756 178.081 176.300 0.042 0.000 0.984 603 D CA 1.692 55.713 54.000 0.034 0.000 0.826 603 D CB 0.050 40.875 40.800 0.042 0.000 0.973 603 D HN 0.127 nan 8.370 nan 0.000 0.460 604 S N -0.519 115.217 115.700 0.059 0.000 2.383 604 S HA -0.173 4.297 4.470 0.000 0.000 0.229 604 S C 1.764 176.388 174.600 0.040 0.000 1.030 604 S CA 1.327 59.567 58.200 0.066 0.000 1.002 604 S CB -0.183 63.071 63.200 0.090 0.000 0.829 604 S HN 0.199 nan 8.310 nan 0.000 0.467 605 K N 0.469 120.887 120.400 0.031 0.000 2.190 605 K HA 0.185 4.505 4.320 0.000 0.000 0.202 605 K C 1.737 178.354 176.600 0.027 0.000 1.045 605 K CA 1.067 57.365 56.287 0.019 0.000 0.976 605 K CB -0.439 32.063 32.500 0.002 0.000 0.849 605 K HN 0.344 nan 8.250 nan 0.000 0.468 606 C N 1.146 120.463 119.300 0.029 0.000 2.674 606 C HA 0.231 4.692 4.460 0.000 0.000 0.276 606 C C 2.175 177.198 174.990 0.055 0.000 1.300 606 C CA -0.392 58.646 59.018 0.034 0.000 1.732 606 C CB 0.092 27.840 27.740 0.015 0.000 2.076 606 C HN 0.570 nan 8.230 nan 0.000 0.548 607 E N 0.548 120.783 120.200 0.058 0.000 2.085 607 E HA -0.191 4.159 4.350 0.000 0.000 0.194 607 E C -0.123 176.556 176.600 0.133 0.000 0.994 607 E CA 1.300 57.737 56.400 0.061 0.000 0.801 607 E CB 0.059 29.782 29.700 0.038 0.000 0.743 607 E HN 0.631 nan 8.360 nan 0.000 0.453 608 Y N -0.473 119.818 120.300 -0.014 0.000 2.477 608 Y HA 0.284 4.834 4.550 0.000 0.000 0.332 608 Y C -2.419 173.480 175.900 -0.001 0.000 1.151 608 Y CA -2.936 55.158 58.100 -0.008 0.000 1.349 608 Y CB 1.034 39.486 38.460 -0.013 0.000 1.108 608 Y HN -0.130 nan 8.280 nan 0.000 0.567 609 P HA -0.114 nan 4.420 nan 0.000 0.218 609 P C 1.286 178.554 177.300 -0.054 0.000 1.148 609 P CA 2.260 65.392 63.100 0.054 0.000 0.822 609 P CB 0.300 32.048 31.700 0.081 0.000 0.784 610 A N -0.715 122.044 122.820 -0.102 0.000 2.167 610 A HA 0.290 4.610 4.320 0.000 0.000 0.214 610 A C 1.292 178.600 177.584 -0.460 0.000 1.151 610 A CA 0.443 52.361 52.037 -0.199 0.000 0.735 610 A CB -1.147 17.848 19.000 -0.007 0.000 0.802 610 A HN 0.241 nan 8.150 nan 0.000 0.467 611 A N -0.630 121.705 122.820 -0.808 0.000 2.498 611 A HA 0.222 4.542 4.320 0.000 0.000 0.239 611 A C 1.665 179.047 177.584 -0.336 0.000 1.068 611 A CA 0.194 51.828 52.037 -0.671 0.000 0.766 611 A CB -0.435 18.212 19.000 -0.587 0.000 1.003 611 A HN 1.247 nan 8.150 nan 0.000 0.497 612 C N 1.045 120.190 119.300 -0.258 0.000 2.410 612 C HA -0.108 4.352 4.460 0.000 0.000 0.281 612 C C 1.502 176.181 174.990 -0.518 0.000 1.318 612 C CA 0.995 59.822 59.018 -0.319 0.000 1.776 612 C CB -1.591 25.968 27.740 -0.301 0.000 1.942 612 C HN 0.920 nan 8.230 nan 0.000 0.508 613 N N 1.701 120.184 118.700 -0.361 0.000 2.235 613 N HA 0.330 5.070 4.740 0.000 0.000 0.209 613 N C 0.186 175.613 175.510 -0.138 0.000 1.122 613 N CA 0.372 53.259 53.050 -0.272 0.000 0.845 613 N CB -0.509 37.942 38.487 -0.060 0.000 1.004 613 N HN 0.713 nan 8.380 nan 0.000 0.499 614 A N 0.720 123.447 122.820 -0.154 0.000 2.498 614 A HA 0.288 4.608 4.320 0.000 0.000 0.239 614 A C 0.191 177.743 177.584 -0.054 0.000 1.068 614 A CA -0.551 51.437 52.037 -0.082 0.000 0.766 614 A CB -0.075 18.871 19.000 -0.089 0.000 1.003 614 A HN 0.466 nan 8.150 nan 0.000 0.497 615 L N 1.467 122.686 121.223 -0.008 0.000 2.559 615 L HA 0.120 4.460 4.340 0.000 0.000 0.274 615 L C 0.838 177.715 176.870 0.012 0.000 1.205 615 L CA 0.998 55.842 54.840 0.006 0.000 0.907 615 L CB 0.065 42.142 42.059 0.030 0.000 1.153 615 L HN 0.792 nan 8.230 nan 0.000 0.490 616 E N 2.335 122.531 120.200 -0.007 0.000 2.332 616 E HA 0.181 4.531 4.350 0.000 0.000 0.202 616 E C -0.118 176.531 176.600 0.081 0.000 0.877 616 E CA 0.450 56.898 56.400 0.081 0.000 0.979 616 E CB 0.448 30.168 29.700 0.035 0.000 0.969 616 E HN 0.663 nan 8.360 nan 0.000 0.495 617 T N 2.094 116.621 114.554 -0.046 0.000 2.881 617 T HA 0.383 4.733 4.350 0.000 0.000 0.291 617 T C -0.833 173.915 174.700 0.080 0.000 0.990 617 T CA -0.530 61.588 62.100 0.030 0.000 0.976 617 T CB 1.595 70.501 68.868 0.063 0.000 0.970 617 T HN -0.101 nan 8.240 nan 0.000 0.438 618 L N 5.198 126.459 121.223 0.064 0.000 2.260 618 L HA 0.554 4.894 4.340 0.000 0.000 0.289 618 L C -1.045 175.855 176.870 0.050 0.000 1.057 618 L CA -0.359 54.518 54.840 0.061 0.000 0.811 618 L CB 0.156 42.222 42.059 0.011 0.000 1.184 618 L HN 0.589 nan 8.230 nan 0.000 0.429 619 L N 6.899 128.193 121.223 0.118 0.000 2.272 619 L HA 0.488 4.828 4.340 0.000 0.000 0.289 619 L C -0.471 176.512 176.870 0.188 0.000 1.032 619 L CA -0.305 54.602 54.840 0.113 0.000 0.810 619 L CB 1.196 43.346 42.059 0.152 0.000 1.205 619 L HN 0.548 nan 8.230 nan 0.000 0.422 620 I N 2.240 122.867 120.570 0.094 0.000 2.362 620 I HA 0.211 4.381 4.170 0.000 0.000 0.289 620 I C 0.143 176.357 176.117 0.161 0.000 0.994 620 I CA -0.732 60.628 61.300 0.100 0.000 1.158 620 I CB 1.464 39.493 38.000 0.048 0.000 1.315 620 I HN 0.550 nan 8.210 nan 0.000 0.451 621 H N 4.837 123.995 119.070 0.148 0.000 3.001 621 H HA 0.045 4.601 4.556 0.000 0.000 0.334 621 H C 1.438 176.799 175.328 0.056 0.000 1.034 621 H CA 0.908 57.059 56.048 0.172 0.000 1.420 621 H CB 0.903 30.732 29.762 0.111 0.000 1.405 621 H HN 0.707 nan 8.280 nan 0.000 0.593 622 R N 3.216 123.637 120.500 -0.132 0.000 2.105 622 R HA -0.149 4.192 4.340 0.000 0.000 0.239 622 R C 1.524 177.889 176.300 0.108 0.000 1.135 622 R CA 1.886 57.968 56.100 -0.030 0.000 0.967 622 R CB -1.021 29.220 30.300 -0.098 0.000 0.861 622 R HN 0.820 nan 8.270 nan 0.000 0.442 623 D N 0.141 120.762 120.400 0.368 0.000 2.411 623 D HA -0.043 4.597 4.640 0.000 0.000 0.226 623 D C 1.088 177.451 176.300 0.105 0.000 0.988 623 D CA 0.849 54.983 54.000 0.224 0.000 0.938 623 D CB 0.137 41.045 40.800 0.181 0.000 0.883 623 D HN 0.506 nan 8.370 nan 0.000 0.525 624 L N -0.490 120.786 121.223 0.088 0.000 2.731 624 L HA 0.081 4.421 4.340 0.000 0.000 0.240 624 L C 1.935 178.771 176.870 -0.057 0.000 1.120 624 L CA -0.190 54.677 54.840 0.044 0.000 0.913 624 L CB 0.504 42.616 42.059 0.089 0.000 1.213 624 L HN -0.055 nan 8.230 nan 0.000 0.515 625 L N 1.005 122.125 121.223 -0.172 0.000 2.081 625 L HA -0.190 4.150 4.340 0.000 0.000 0.212 625 L C 2.230 178.928 176.870 -0.286 0.000 1.080 625 L CA 1.915 56.504 54.840 -0.419 0.000 0.754 625 L CB -1.009 40.888 42.059 -0.270 0.000 0.893 625 L HN 0.395 nan 8.230 nan 0.000 0.433 626 R N -0.368 120.075 120.500 -0.096 0.000 3.585 626 R HA 0.413 4.753 4.340 0.000 0.000 0.324 626 R C 0.132 176.449 176.300 0.028 0.000 1.372 626 R CA 0.128 56.214 56.100 -0.023 0.000 1.291 626 R CB -0.458 29.834 30.300 -0.014 0.000 1.470 626 R HN 0.160 nan 8.270 nan 0.000 0.633 627 T N -0.185 114.412 114.554 0.071 0.000 2.900 627 T HA 0.481 4.831 4.350 0.000 0.000 0.295 627 T C -2.020 172.758 174.700 0.131 0.000 1.044 627 T CA -1.712 60.442 62.100 0.090 0.000 0.995 627 T CB 2.076 70.991 68.868 0.079 0.000 1.072 627 T HN 0.126 nan 8.240 nan 0.000 0.473 628 P HA 0.018 nan 4.420 nan 0.000 0.218 628 P C 1.674 179.016 177.300 0.070 0.000 1.149 628 P CA 0.470 63.613 63.100 0.072 0.000 0.817 628 P CB 0.118 31.844 31.700 0.042 0.000 0.785 629 L N -1.712 119.555 121.223 0.074 0.000 2.012 629 L HA -0.197 4.143 4.340 0.000 0.000 0.210 629 L C 2.278 179.197 176.870 0.081 0.000 1.073 629 L CA 1.691 56.567 54.840 0.060 0.000 0.748 629 L CB -0.675 41.415 42.059 0.052 0.000 0.891 629 L HN -0.108 nan 8.230 nan 0.000 0.431 630 F N 0.857 120.807 119.950 -0.000 0.000 2.134 630 F HA -0.237 4.290 4.527 0.000 0.000 0.299 630 F C 1.995 177.802 175.800 0.011 0.000 1.097 630 F CA 1.925 59.928 58.000 0.004 0.000 1.264 630 F CB -0.287 38.723 39.000 0.018 0.000 1.001 630 F HN 0.186 nan 8.300 nan 0.000 0.479 631 D N 0.144 120.590 120.400 0.075 0.000 2.104 631 D HA -0.208 4.432 4.640 0.000 0.000 0.194 631 D C 2.208 178.445 176.300 -0.105 0.000 0.994 631 D CA 1.577 55.567 54.000 -0.017 0.000 0.830 631 D CB -0.456 40.383 40.800 0.066 0.000 0.959 631 D HN 0.434 nan 8.370 nan 0.000 0.452 632 Q N -0.250 119.510 119.800 -0.066 0.000 2.226 632 Q HA -0.071 4.269 4.340 0.000 0.000 0.204 632 Q C 2.277 178.209 176.000 -0.114 0.000 0.975 632 Q CA 0.623 56.385 55.803 -0.068 0.000 0.866 632 Q CB 0.076 28.792 28.738 -0.036 0.000 0.915 632 Q HN 0.383 nan 8.270 nan 0.000 0.440 633 I N 0.484 120.945 120.570 -0.181 0.000 2.110 633 I HA -0.276 3.894 4.170 0.000 0.000 0.236 633 I C 2.251 178.219 176.117 -0.247 0.000 1.068 633 I CA 1.125 62.295 61.300 -0.216 0.000 1.333 633 I CB -0.517 37.317 38.000 -0.276 0.000 1.054 633 I HN 0.275 nan 8.210 nan 0.000 0.402 634 I N 0.960 121.297 120.570 -0.387 0.000 2.248 634 I HA -0.184 3.986 4.170 0.000 0.000 0.248 634 I C 1.520 177.546 176.117 -0.152 0.000 1.107 634 I CA 1.528 62.660 61.300 -0.280 0.000 1.373 634 I CB -1.888 35.934 38.000 -0.296 0.000 1.055 634 I HN 0.234 nan 8.210 nan 0.000 0.418 638 R N 0.365 120.828 120.500 -0.062 0.000 2.161 638 R HA 0.184 4.524 4.340 0.000 0.000 0.213 638 R C 1.680 177.957 176.300 -0.038 0.000 1.055 638 R CA 1.519 57.589 56.100 -0.049 0.000 0.996 638 R CB -1.103 29.171 30.300 -0.044 0.000 0.901 638 R HN 0.109 nan 8.270 nan 0.000 0.456 639 V N 0.922 120.813 119.914 -0.037 0.000 2.515 639 V HA -0.131 3.989 4.120 0.000 0.000 0.250 639 V C 1.898 177.977 176.094 -0.025 0.000 1.058 639 V CA 1.852 64.136 62.300 -0.028 0.000 1.064 639 V CB 0.056 31.864 31.823 -0.026 0.000 0.675 639 V HN 0.566 nan 8.190 nan 0.000 0.461 640 E N -0.252 119.931 120.200 -0.029 0.000 2.476 640 E HA 0.034 4.384 4.350 0.000 0.000 0.191 640 E C 0.769 177.353 176.600 -0.026 0.000 1.064 640 E CA -0.017 56.369 56.400 -0.024 0.000 0.866 640 E CB -0.233 29.452 29.700 -0.024 0.000 0.952 640 E HN 0.619 nan 8.360 nan 0.000 0.492 641 Q N -1.028 118.753 119.800 -0.031 0.000 2.453 641 Q HA -0.178 4.162 4.340 0.000 0.000 0.294 641 Q C -1.005 174.970 176.000 -0.042 0.000 1.295 641 Q CA 0.340 56.124 55.803 -0.032 0.000 0.853 641 Q CB -1.786 26.939 28.738 -0.021 0.000 1.193 641 Q HN 0.027 nan 8.270 nan 0.000 0.461 642 V N 0.633 120.513 119.914 -0.057 0.000 2.407 642 V HA 0.134 4.254 4.120 0.000 0.000 0.278 642 V C 0.442 176.467 176.094 -0.116 0.000 1.037 642 V CA -0.508 61.745 62.300 -0.079 0.000 0.900 642 V CB 1.685 33.462 31.823 -0.077 0.000 0.983 642 V HN 0.003 nan 8.190 nan 0.000 0.459 643 K N 5.753 126.062 120.400 -0.152 0.000 2.336 643 K HA 0.311 4.632 4.320 0.000 0.000 0.290 643 K C -0.101 176.280 176.600 -0.366 0.000 1.067 643 K CA -0.240 55.899 56.287 -0.245 0.000 0.962 643 K CB -0.105 32.245 32.500 -0.250 0.000 1.008 643 K HN 0.652 nan 8.250 nan 0.000 0.467 644 I N -0.239 120.162 120.570 -0.282 0.000 2.441 644 I HA 0.345 4.515 4.170 0.000 0.000 0.287 644 I C 0.347 176.267 176.117 -0.329 0.000 1.049 644 I CA -0.199 60.975 61.300 -0.210 0.000 1.381 644 I CB 0.581 38.562 38.000 -0.032 0.000 1.409 644 I HN 0.493 nan 8.210 nan 0.000 0.523 645 H N 5.239 124.310 119.070 0.001 0.000 2.481 645 H HA 0.537 5.093 4.556 0.000 0.000 0.333 645 H C -0.333 175.087 175.328 0.153 0.000 1.066 645 H CA -0.741 55.343 56.048 0.062 0.000 1.209 645 H CB 1.939 31.739 29.762 0.062 0.000 1.445 645 H HN 0.884 nan 8.280 nan 0.000 0.488 646 A N 3.227 126.209 122.820 0.270 0.000 2.451 646 A HA 0.391 4.711 4.320 0.000 0.000 0.266 646 A C 1.104 178.865 177.584 0.295 0.000 1.119 646 A CA 0.125 52.381 52.037 0.365 0.000 0.786 646 A CB -0.069 18.938 19.000 0.012 0.000 1.061 646 A HN 0.804 nan 8.150 nan 0.000 0.503 647 G N 3.247 112.261 108.800 0.357 0.000 2.664 647 G HA2 0.363 4.323 3.960 0.000 0.000 0.242 647 G HA3 0.363 4.323 3.960 0.000 0.000 0.242 647 G C -1.410 173.614 174.900 0.207 0.000 1.225 647 G CA -0.741 44.494 45.100 0.224 0.000 0.849 647 G HN 0.475 nan 8.290 nan 0.000 0.581 648 P HA -0.170 nan 4.420 nan 0.000 0.211 648 P C 1.869 179.234 177.300 0.108 0.000 1.181 648 P CA 1.654 64.813 63.100 0.098 0.000 0.929 648 P CB 0.089 31.839 31.700 0.083 0.000 0.789 649 K N -1.016 119.458 120.400 0.124 0.000 2.127 649 K HA -0.204 4.116 4.320 0.000 0.000 0.208 649 K C 2.036 178.738 176.600 0.170 0.000 1.047 649 K CA 1.608 57.965 56.287 0.117 0.000 0.927 649 K CB -1.137 31.425 32.500 0.104 0.000 0.716 649 K HN 0.086 nan 8.250 nan 0.000 0.450 650 F N -0.098 119.864 119.950 0.021 0.000 2.102 650 F HA -0.219 4.308 4.527 0.000 0.000 0.298 650 F C 1.995 177.804 175.800 0.015 0.000 1.105 650 F CA 0.974 58.985 58.000 0.018 0.000 1.239 650 F CB -0.207 38.820 39.000 0.045 0.000 0.991 650 F HN 0.147 nan 8.300 nan 0.000 0.474 651 A N 0.211 122.987 122.820 -0.073 0.000 1.940 651 A HA -0.125 4.196 4.320 0.000 0.000 0.219 651 A C 1.563 179.084 177.584 -0.105 0.000 1.176 651 A CA 1.395 53.321 52.037 -0.186 0.000 0.631 651 A CB -1.137 17.815 19.000 -0.079 0.000 0.814 651 A HN 0.438 nan 8.150 nan 0.000 0.446 663 S N -0.655 115.015 115.700 -0.050 0.000 2.535 663 S HA 0.601 5.071 4.470 0.000 0.000 0.272 663 S C -0.518 174.032 174.600 -0.083 0.000 1.149 663 S CA -0.343 57.819 58.200 -0.062 0.000 0.888 663 S CB 1.368 64.528 63.200 -0.066 0.000 1.110 663 S HN 0.473 nan 8.310 nan 0.000 0.463 664 L N 3.299 124.423 121.223 -0.166 0.000 2.591 664 L HA 0.348 4.688 4.340 0.000 0.000 0.228 664 L C 1.129 177.930 176.870 -0.116 0.000 1.133 664 L CA 0.381 55.063 54.840 -0.263 0.000 0.880 664 L CB -0.119 41.422 42.059 -0.865 0.000 1.033 664 L HN 0.436 nan 8.230 nan 0.000 0.450 665 R N -0.426 120.050 120.500 -0.039 0.000 3.335 665 R HA 0.262 4.602 4.340 0.000 0.000 0.337 665 R C -0.509 175.741 176.300 -0.083 0.000 1.283 665 R CA -0.096 56.013 56.100 0.015 0.000 1.246 665 R CB 0.591 30.933 30.300 0.071 0.000 1.464 665 R HN -0.073 nan 8.270 nan 0.000 0.607 666 T N 0.460 114.911 114.554 -0.172 0.000 2.807 666 T HA 0.180 4.530 4.350 0.000 0.000 0.279 666 T C -0.687 173.753 174.700 -0.434 0.000 0.993 666 T CA -0.535 61.345 62.100 -0.366 0.000 0.970 666 T CB 2.098 70.600 68.868 -0.611 0.000 0.950 666 T HN 0.215 nan 8.240 nan 0.000 0.441 667 E N 2.331 122.314 120.200 -0.361 0.000 2.081 667 E HA 0.244 4.594 4.350 0.000 0.000 0.276 667 E C -0.184 176.235 176.600 -0.301 0.000 0.950 667 E CA -0.397 55.843 56.400 -0.268 0.000 0.776 667 E CB 0.528 30.145 29.700 -0.139 0.000 1.094 667 E HN 0.683 nan 8.360 nan 0.000 0.402 668 Y N 2.815 123.100 120.300 -0.025 0.000 2.220 668 Y HA 0.077 4.627 4.550 0.000 0.000 0.291 668 Y C 2.002 177.896 175.900 -0.009 0.000 1.129 668 Y CA 0.932 59.029 58.100 -0.004 0.000 1.161 668 Y CB 0.120 38.594 38.460 0.023 0.000 0.997 668 Y HN 0.849 nan 8.280 nan 0.000 0.522 669 G N 1.004 109.874 108.800 0.116 0.000 2.258 669 G HA2 -0.267 3.693 3.960 0.000 0.000 0.274 669 G HA3 -0.267 3.693 3.960 0.000 0.000 0.274 669 G C -0.525 174.418 174.900 0.072 0.000 1.021 669 G CA 0.783 45.909 45.100 0.044 0.000 0.798 669 G HN 0.547 nan 8.290 nan 0.000 0.507 670 D N -2.259 118.207 120.400 0.111 0.000 2.851 670 D HA 0.249 4.889 4.640 0.000 0.000 0.339 670 D C 0.346 176.683 176.300 0.062 0.000 1.347 670 D CA -1.155 52.898 54.000 0.089 0.000 0.888 670 D CB -0.203 40.654 40.800 0.094 0.000 1.431 670 D HN 0.134 nan 8.370 nan 0.000 0.509 671 L N 0.272 121.515 121.223 0.033 0.000 2.650 671 L HA 0.262 4.602 4.340 0.000 0.000 0.239 671 L C 0.073 176.906 176.870 -0.061 0.000 1.412 671 L CA 0.451 55.285 54.840 -0.008 0.000 1.219 671 L CB -0.913 41.142 42.059 -0.006 0.000 1.534 671 L HN 0.149 nan 8.230 nan 0.000 0.430 672 E N 1.203 121.336 120.200 -0.112 0.000 2.340 672 E HA 0.690 5.040 4.350 0.000 0.000 0.273 672 E C -1.408 174.891 176.600 -0.503 0.000 0.891 672 E CA -0.969 55.244 56.400 -0.312 0.000 0.757 672 E CB 3.346 32.857 29.700 -0.315 0.000 1.231 672 E HN -0.002 nan 8.360 nan 0.000 0.439 673 L N 1.287 122.195 121.223 -0.524 0.000 2.526 673 L HA 0.384 4.724 4.340 0.000 0.000 0.263 673 L C -1.607 175.162 176.870 -0.168 0.000 0.943 673 L CA -0.562 54.087 54.840 -0.319 0.000 0.859 673 L CB 1.651 43.623 42.059 -0.144 0.000 1.313 673 L HN 0.791 nan 8.230 nan 0.000 0.406 674 C N 5.918 125.222 119.300 0.007 0.000 2.435 674 C HA 0.661 5.122 4.460 0.000 0.000 0.375 674 C C 0.116 175.151 174.990 0.076 0.000 1.281 674 C CA -0.487 58.611 59.018 0.134 0.000 1.963 674 C CB -0.967 26.912 27.740 0.232 0.000 2.490 674 C HN 0.690 nan 8.230 nan 0.000 0.557 675 I N 5.076 125.694 120.570 0.080 0.000 2.389 675 I HA 0.407 4.577 4.170 0.000 0.000 0.288 675 I C -0.431 175.635 176.117 -0.085 0.000 0.999 675 I CA 0.035 61.301 61.300 -0.058 0.000 1.129 675 I CB 1.520 39.431 38.000 -0.149 0.000 1.288 675 I HN 0.659 nan 8.210 nan 0.000 0.444 676 E N 5.640 125.762 120.200 -0.130 0.000 2.288 676 E HA 0.527 4.877 4.350 0.000 0.000 0.268 676 E C -1.602 174.914 176.600 -0.141 0.000 0.885 676 E CA -0.610 55.746 56.400 -0.072 0.000 0.767 676 E CB 2.134 31.810 29.700 -0.040 0.000 1.220 676 E HN 0.233 nan 8.360 nan 0.000 0.427 677 V N 4.256 124.139 119.914 -0.052 0.000 2.509 677 V HA 0.509 4.629 4.120 0.000 0.000 0.284 677 V C 0.039 176.123 176.094 -0.017 0.000 1.047 677 V CA -0.332 61.943 62.300 -0.042 0.000 0.952 677 V CB 1.153 32.993 31.823 0.028 0.000 0.988 677 V HN 0.618 nan 8.190 nan 0.000 0.469 678 V N 1.337 121.232 119.914 -0.031 0.000 3.113 678 V HA 0.671 4.791 4.120 0.000 0.000 0.316 678 V C 0.191 176.204 176.094 -0.135 0.000 1.125 678 V CA -0.595 61.674 62.300 -0.052 0.000 1.026 678 V CB 2.118 33.906 31.823 -0.059 0.000 1.080 678 V HN 0.603 nan 8.190 nan 0.000 0.444 679 D N 1.046 121.362 120.400 -0.141 0.000 2.277 679 D HA 0.172 4.812 4.640 0.000 0.000 0.209 679 D C 0.267 176.394 176.300 -0.288 0.000 0.970 679 D CA 1.690 55.574 54.000 -0.193 0.000 0.874 679 D CB 0.173 40.919 40.800 -0.089 0.000 0.982 679 D HN 0.933 nan 8.370 nan 0.000 0.504 680 N N -2.707 115.890 118.700 -0.171 0.000 3.261 680 N HA 0.077 4.817 4.740 0.000 0.000 0.248 680 N C 0.425 175.907 175.510 -0.048 0.000 1.498 680 N CA -0.569 52.473 53.050 -0.012 0.000 0.884 680 N CB 1.104 39.602 38.487 0.018 0.000 1.428 680 N HN -0.288 nan 8.380 nan 0.000 0.517 681 V N -1.126 118.817 119.914 0.048 0.000 2.324 681 V HA -0.256 3.864 4.120 0.000 0.000 0.250 681 V C 2.387 178.466 176.094 -0.025 0.000 1.060 681 V CA 2.250 64.540 62.300 -0.017 0.000 1.042 681 V CB -0.951 31.010 31.823 0.230 0.000 0.650 681 V HN 0.766 nan 8.190 nan 0.000 0.450 682 Q N 0.645 120.461 119.800 0.027 0.000 2.135 682 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 682 Q C 1.788 177.765 176.000 -0.039 0.000 0.981 682 Q CA 2.235 58.052 55.803 0.023 0.000 0.856 682 Q CB -0.616 28.133 28.738 0.018 0.000 0.902 682 Q HN 0.703 nan 8.270 nan 0.000 0.425 683 D N -0.935 119.428 120.400 -0.061 0.000 2.097 683 D HA -0.065 4.575 4.640 0.000 0.000 0.197 683 D C 1.622 177.888 176.300 -0.056 0.000 0.984 683 D CA 1.586 55.557 54.000 -0.049 0.000 0.826 683 D CB -0.272 40.489 40.800 -0.064 0.000 0.973 683 D HN 0.366 nan 8.370 nan 0.000 0.460 684 A N 0.244 122.950 122.820 -0.190 0.000 1.883 684 A HA -0.190 4.130 4.320 0.000 0.000 0.217 684 A C 2.303 179.838 177.584 -0.082 0.000 1.186 684 A CA 1.277 53.184 52.037 -0.218 0.000 0.624 684 A CB -0.897 17.682 19.000 -0.702 0.000 0.822 684 A HN 0.278 nan 8.150 nan 0.000 0.444 685 I N -0.105 120.394 120.570 -0.118 0.000 2.179 685 I HA -0.259 3.911 4.170 0.000 0.000 0.242 685 I C 1.945 178.005 176.117 -0.096 0.000 1.088 685 I CA 1.593 62.788 61.300 -0.175 0.000 1.357 685 I CB -0.474 37.404 38.000 -0.203 0.000 1.051 685 I HN 0.253 nan 8.210 nan 0.000 0.409 686 D N -0.328 120.041 120.400 -0.051 0.000 2.123 686 D HA -0.244 4.396 4.640 0.000 0.000 0.196 686 D C 2.056 178.366 176.300 0.017 0.000 0.992 686 D CA 1.311 55.301 54.000 -0.016 0.000 0.833 686 D CB -0.503 40.291 40.800 -0.010 0.000 0.954 686 D HN 0.408 nan 8.370 nan 0.000 0.455 687 H N 0.669 119.720 119.070 -0.031 0.000 2.321 687 H HA -0.037 4.519 4.556 0.000 0.000 0.300 687 H C 2.333 177.621 175.328 -0.066 0.000 1.087 687 H CA 0.989 57.068 56.048 0.051 0.000 1.319 687 H CB -0.245 29.573 29.762 0.093 0.000 1.379 687 H HN 0.137 nan 8.280 nan 0.000 0.501 688 I N 0.098 120.630 120.570 -0.064 0.000 2.226 688 I HA -0.292 3.878 4.170 0.000 0.000 0.245 688 I C 2.685 178.727 176.117 -0.126 0.000 1.100 688 I CA 1.610 62.732 61.300 -0.297 0.000 1.374 688 I CB -0.417 37.437 38.000 -0.243 0.000 1.057 688 I HN 0.299 nan 8.210 nan 0.000 0.413 689 H N 1.090 120.054 119.070 -0.177 0.000 2.357 689 H HA -0.174 4.382 4.556 0.000 0.000 0.301 689 H C 2.222 177.432 175.328 -0.198 0.000 1.082 689 H CA 1.888 57.840 56.048 -0.159 0.000 1.342 689 H CB 0.078 29.747 29.762 -0.153 0.000 1.389 689 H HN 0.115 nan 8.280 nan 0.000 0.511 690 K N -1.015 119.177 120.400 -0.347 0.000 2.031 690 K HA -0.123 4.197 4.320 0.000 0.000 0.205 690 K C 1.093 177.319 176.600 -0.623 0.000 1.049 690 K CA 1.542 57.458 56.287 -0.618 0.000 0.939 690 K CB 0.021 31.993 32.500 -0.880 0.000 0.717 690 K HN 0.333 nan 8.250 nan 0.000 0.438 691 Y N -0.385 119.789 120.300 -0.211 0.000 2.507 691 Y HA 0.285 4.835 4.550 0.000 0.000 0.263 691 Y C 1.210 177.136 175.900 0.043 0.000 1.093 691 Y CA -0.051 57.980 58.100 -0.114 0.000 1.285 691 Y CB 0.053 38.399 38.460 -0.189 0.000 1.115 691 Y HN 0.019 nan 8.280 nan 0.000 0.533 692 G N -0.022 108.911 108.800 0.222 0.000 2.599 692 G HA2 0.295 4.255 3.960 0.000 0.000 0.264 692 G HA3 0.295 4.255 3.960 0.000 0.000 0.264 692 G C 0.664 175.635 174.900 0.119 0.000 1.200 692 G CA 0.062 45.347 45.100 0.310 0.000 0.896 692 G HN 0.235 nan 8.290 nan 0.000 0.536 693 S N -1.611 114.160 115.700 0.118 0.000 2.577 693 S HA 0.248 4.718 4.470 0.000 0.000 0.219 693 S C 1.098 175.747 174.600 0.082 0.000 0.962 693 S CA 0.686 58.931 58.200 0.076 0.000 0.921 693 S CB 0.297 63.539 63.200 0.070 0.000 0.789 693 S HN 1.307 nan 8.310 nan 0.000 0.497 694 S N 0.641 116.390 115.700 0.082 0.000 3.635 694 S HA -0.242 4.228 4.470 0.000 0.000 0.328 694 S C 0.691 175.327 174.600 0.060 0.000 1.135 694 S CA 1.000 59.232 58.200 0.054 0.000 0.942 694 S CB -1.771 61.439 63.200 0.017 0.000 0.930 694 S HN 0.897 nan 8.310 nan 0.000 0.512 695 H N 0.298 119.359 119.070 -0.015 0.000 2.296 695 H HA 0.337 4.893 4.556 0.000 0.000 0.328 695 H C 0.441 175.728 175.328 -0.070 0.000 1.162 695 H CA 1.649 57.663 56.048 -0.056 0.000 1.717 695 H CB 0.234 29.933 29.762 -0.106 0.000 1.514 695 H HN 0.434 nan 8.280 nan 0.000 0.621 696 T N 2.779 117.470 114.554 0.229 0.000 2.937 696 T HA 0.356 4.706 4.350 0.000 0.000 0.297 696 T C -1.322 173.382 174.700 0.007 0.000 0.991 696 T CA -0.836 61.269 62.100 0.007 0.000 0.990 696 T CB 2.098 70.967 68.868 0.002 0.000 0.991 696 T HN 0.264 nan 8.240 nan 0.000 0.440 697 D N 1.814 122.204 120.400 -0.017 0.000 2.819 697 D HA 0.574 5.214 4.640 0.000 0.000 0.232 697 D C -1.016 175.448 176.300 0.274 0.000 1.160 697 D CA -0.367 53.741 54.000 0.180 0.000 0.858 697 D CB 3.032 43.974 40.800 0.237 0.000 1.610 697 D HN 0.231 nan 8.370 nan 0.000 0.481 698 V N 2.004 122.143 119.914 0.376 0.000 2.789 698 V HA 0.468 4.588 4.120 0.000 0.000 0.311 698 V C -0.214 175.933 176.094 0.088 0.000 1.073 698 V CA -0.873 61.618 62.300 0.319 0.000 0.921 698 V CB 2.583 34.574 31.823 0.281 0.000 1.009 698 V HN 0.495 nan 8.190 nan 0.000 0.426 699 I N 3.927 124.364 120.570 -0.221 0.000 2.412 699 I HA 0.634 4.804 4.170 0.000 0.000 0.296 699 I C -0.978 175.103 176.117 -0.061 0.000 0.987 699 I CA -0.573 60.409 61.300 -0.530 0.000 1.180 699 I CB 1.717 39.008 38.000 -1.183 0.000 1.340 699 I HN 0.409 nan 8.210 nan 0.000 0.455 700 V N 6.586 126.438 119.914 -0.103 0.000 2.328 700 V HA 0.584 4.704 4.120 0.000 0.000 0.278 700 V C -0.064 176.009 176.094 -0.035 0.000 1.021 700 V CA -0.189 62.118 62.300 0.011 0.000 0.838 700 V CB 0.989 32.799 31.823 -0.021 0.000 0.999 700 V HN 0.853 nan 8.190 nan 0.000 0.447 701 T N 2.622 117.272 114.554 0.159 0.000 2.830 701 T HA 0.330 4.680 4.350 0.000 0.000 0.322 701 T C -0.040 174.852 174.700 0.321 0.000 1.501 701 T CA -0.377 61.793 62.100 0.117 0.000 1.036 701 T CB 2.166 71.024 68.868 -0.017 0.000 1.379 701 T HN 0.583 nan 8.240 nan 0.000 0.493 702 E N 0.852 121.160 120.200 0.179 0.000 2.431 702 E HA 0.116 4.466 4.350 0.000 0.000 0.200 702 E C -0.105 176.621 176.600 0.210 0.000 0.995 702 E CA 0.124 56.651 56.400 0.211 0.000 0.915 702 E CB 0.210 29.966 29.700 0.094 0.000 0.930 702 E HN 0.567 nan 8.360 nan 0.000 0.496 703 D N 1.783 122.243 120.400 0.100 0.000 2.338 703 D HA -0.022 4.618 4.640 0.000 0.000 0.255 703 D C 1.037 177.301 176.300 -0.059 0.000 1.237 703 D CA 0.181 54.198 54.000 0.028 0.000 0.883 703 D CB 0.746 41.532 40.800 -0.023 0.000 1.087 703 D HN -0.045 nan 8.370 nan 0.000 0.485 704 E N 3.078 123.271 120.200 -0.012 0.000 2.085 704 E HA -0.246 4.104 4.350 0.000 0.000 0.194 704 E C 1.030 177.499 176.600 -0.219 0.000 0.994 704 E CA 0.821 57.129 56.400 -0.154 0.000 0.801 704 E CB 0.238 29.989 29.700 0.085 0.000 0.743 704 E HN 0.449 nan 8.360 nan 0.000 0.453 705 N N -0.024 118.622 118.700 -0.091 0.000 2.069 705 N HA -0.138 4.602 4.740 0.000 0.000 0.191 705 N C 1.855 177.343 175.510 -0.036 0.000 1.031 705 N CA 1.884 54.906 53.050 -0.048 0.000 0.852 705 N CB -0.853 37.613 38.487 -0.035 0.000 1.018 705 N HN 0.144 nan 8.380 nan 0.000 0.423 706 T N 1.099 115.609 114.554 -0.074 0.000 2.674 706 T HA -0.055 4.295 4.350 0.000 0.000 0.265 706 T C 1.989 176.688 174.700 -0.002 0.000 1.039 706 T CA 1.491 63.584 62.100 -0.011 0.000 1.150 706 T CB -0.504 68.350 68.868 -0.023 0.000 0.864 706 T HN 0.354 nan 8.240 nan 0.000 0.427 707 A N 1.881 124.504 122.820 -0.328 0.000 1.892 707 A HA -0.190 4.130 4.320 0.000 0.000 0.218 707 A C 2.307 179.719 177.584 -0.288 0.000 1.188 707 A CA 1.562 53.210 52.037 -0.649 0.000 0.631 707 A CB -0.479 17.305 19.000 -2.026 0.000 0.822 707 A HN 0.343 nan 8.150 nan 0.000 0.447 708 E N -1.256 118.811 120.200 -0.222 0.000 2.150 708 E HA -0.114 4.236 4.350 0.000 0.000 0.193 708 E C 1.708 178.377 176.600 0.116 0.000 0.985 708 E CA 0.745 57.123 56.400 -0.036 0.000 0.814 708 E CB -0.469 29.215 29.700 -0.026 0.000 0.752 708 E HN 0.686 nan 8.360 nan 0.000 0.466 709 F N 0.743 120.721 119.950 0.048 0.000 2.075 709 F HA -0.223 4.304 4.527 0.000 0.000 0.297 709 F C 2.210 178.185 175.800 0.292 0.000 1.113 709 F CA 1.318 59.430 58.000 0.186 0.000 1.218 709 F CB -0.484 38.584 39.000 0.114 0.000 0.984 709 F HN -0.011 nan 8.300 nan 0.000 0.472 710 F N 0.101 120.157 119.950 0.176 0.000 2.091 710 F HA -0.260 4.267 4.527 0.000 0.000 0.299 710 F C 1.925 177.736 175.800 0.019 0.000 1.103 710 F CA 1.440 59.491 58.000 0.086 0.000 1.228 710 F CB -0.452 38.621 39.000 0.123 0.000 0.984 710 F HN -0.050 nan 8.300 nan 0.000 0.477 711 L N 0.268 121.648 121.223 0.262 0.000 2.083 711 L HA -0.194 4.146 4.340 0.000 0.000 0.209 711 L C 2.732 179.586 176.870 -0.027 0.000 1.083 711 L CA 1.790 56.724 54.840 0.157 0.000 0.752 711 L CB -1.768 40.388 42.059 0.162 0.000 0.899 711 L HN 0.278 nan 8.230 nan 0.000 0.433 712 Q N -1.460 118.269 119.800 -0.119 0.000 2.123 712 Q HA -0.165 4.175 4.340 0.000 0.000 0.199 712 Q C 2.125 177.838 176.000 -0.478 0.000 0.966 712 Q CA 1.803 57.417 55.803 -0.316 0.000 0.845 712 Q CB -0.318 28.158 28.738 -0.436 0.000 0.907 712 Q HN 0.775 nan 8.270 nan 0.000 0.439 713 H N -1.514 117.343 119.070 -0.354 0.000 2.595 713 H HA 0.382 4.938 4.556 0.000 0.000 0.265 713 H C 0.384 175.495 175.328 -0.360 0.000 0.953 713 H CA 0.358 56.162 56.048 -0.407 0.000 1.197 713 H CB 0.847 30.243 29.762 -0.610 0.000 1.438 713 H HN 0.173 nan 8.280 nan 0.000 0.531 714 V N 2.593 122.322 119.914 -0.308 0.000 2.470 714 V HA -0.053 4.067 4.120 0.000 0.000 0.276 714 V C 0.289 176.280 176.094 -0.172 0.000 1.040 714 V CA 0.243 62.351 62.300 -0.320 0.000 1.008 714 V CB 0.955 32.450 31.823 -0.547 0.000 0.990 714 V HN 0.404 nan 8.190 nan 0.000 0.477 715 D N 2.430 122.763 120.400 -0.111 0.000 2.336 715 D HA 0.088 4.728 4.640 0.000 0.000 0.228 715 D C 0.862 177.143 176.300 -0.033 0.000 1.120 715 D CA 0.176 54.139 54.000 -0.063 0.000 0.839 715 D CB 0.347 41.130 40.800 -0.028 0.000 0.932 715 D HN 0.500 nan 8.370 nan 0.000 0.509 716 S N 0.214 115.894 115.700 -0.033 0.000 2.593 716 S HA 0.306 4.776 4.470 0.000 0.000 0.269 716 S C 1.623 176.217 174.600 -0.011 0.000 1.334 716 S CA -0.292 57.902 58.200 -0.011 0.000 1.015 716 S CB 1.691 64.893 63.200 0.003 0.000 0.912 716 S HN 0.249 nan 8.310 nan 0.000 0.541 717 A N 0.396 123.204 122.820 -0.021 0.000 1.940 717 A HA -0.024 4.296 4.320 0.000 0.000 0.219 717 A C 0.837 178.448 177.584 0.045 0.000 1.176 717 A CA 0.880 52.910 52.037 -0.012 0.000 0.631 717 A CB -0.531 18.431 19.000 -0.063 0.000 0.814 717 A HN 0.734 nan 8.150 nan 0.000 0.446 718 C N -0.284 119.031 119.300 0.026 0.000 2.381 718 C HA 0.612 5.072 4.460 0.000 0.000 0.328 718 C C -0.484 174.465 174.990 -0.068 0.000 1.190 718 C CA -0.880 58.189 59.018 0.084 0.000 1.369 718 C CB 0.894 28.693 27.740 0.098 0.000 2.029 718 C HN 0.241 nan 8.230 nan 0.000 0.448 719 V N 4.442 124.417 119.914 0.100 0.000 2.487 719 V HA 0.637 4.757 4.120 0.000 0.000 0.298 719 V C -0.752 175.625 176.094 0.472 0.000 1.028 719 V CA -0.356 62.042 62.300 0.163 0.000 0.860 719 V CB 1.199 33.129 31.823 0.178 0.000 0.991 719 V HN 0.622 nan 8.190 nan 0.000 0.427 720 F N 2.637 122.778 119.950 0.318 0.000 2.538 720 F HA 0.654 5.181 4.527 0.000 0.000 0.325 720 F C -0.509 175.491 175.800 0.333 0.000 1.066 720 F CA -1.996 56.170 58.000 0.278 0.000 0.946 720 F CB 1.823 40.973 39.000 0.250 0.000 1.199 720 F HN 0.638 nan 8.300 nan 0.000 0.473 721 W N 4.269 125.720 121.300 0.251 0.000 2.475 721 W HA 0.409 5.069 4.660 0.000 0.000 0.320 721 W C -0.303 176.249 176.519 0.056 0.000 1.022 721 W CA -1.709 55.701 57.345 0.109 0.000 1.240 721 W CB 0.648 30.155 29.460 0.078 0.000 1.328 721 W HN 0.580 nan 8.180 nan 0.000 0.439 722 N N 2.837 121.646 118.700 0.180 0.000 2.735 722 N HA -0.184 4.556 4.740 0.000 0.000 0.248 722 N C -0.988 174.486 175.510 -0.059 0.000 1.083 722 N CA 1.649 54.661 53.050 -0.064 0.000 0.703 722 N CB -1.403 36.844 38.487 -0.400 0.000 1.005 722 N HN 0.625 nan 8.380 nan 0.000 0.550 723 A N -1.077 121.793 122.820 0.084 0.000 2.515 723 A HA 0.701 5.022 4.320 0.000 0.000 0.298 723 A C 0.227 178.028 177.584 0.362 0.000 1.059 723 A CA -0.110 51.985 52.037 0.097 0.000 0.698 723 A CB 1.588 20.467 19.000 -0.201 0.000 1.289 723 A HN 0.256 nan 8.150 nan 0.000 0.404 724 S N 0.257 116.234 115.700 0.461 0.000 2.563 724 S HA 0.192 4.663 4.470 0.000 0.000 0.284 724 S C 1.769 176.727 174.600 0.596 0.000 1.331 724 S CA 0.632 59.090 58.200 0.429 0.000 1.047 724 S CB 0.310 63.682 63.200 0.286 0.000 0.859 724 S HN 1.684 nan 8.310 nan 0.000 0.514 725 T N 2.754 117.552 114.554 0.407 0.000 2.849 725 T HA -0.093 4.257 4.350 0.000 0.000 0.270 725 T C 1.572 176.494 174.700 0.370 0.000 1.066 725 T CA 0.793 63.105 62.100 0.354 0.000 1.130 725 T CB -0.270 68.687 68.868 0.148 0.000 0.864 725 T HN 0.647 nan 8.240 nan 0.000 0.481 726 R N -0.028 120.609 120.500 0.230 0.000 2.316 726 R HA 0.137 4.477 4.340 0.000 0.000 0.202 726 R C 1.521 177.845 176.300 0.039 0.000 1.029 726 R CA 0.346 56.487 56.100 0.068 0.000 1.018 726 R CB -0.752 29.510 30.300 -0.063 0.000 0.888 726 R HN 0.494 nan 8.270 nan 0.000 0.471 727 F N 1.367 121.507 119.950 0.317 0.000 2.502 727 F HA -0.072 4.455 4.527 0.000 0.000 0.298 727 F C 1.191 177.108 175.800 0.195 0.000 1.111 727 F CA 0.480 58.617 58.000 0.228 0.000 1.445 727 F CB -0.166 38.857 39.000 0.039 0.000 1.081 727 F HN -0.158 nan 8.300 nan 0.000 0.558 728 S N 0.602 116.548 115.700 0.409 0.000 2.437 728 S HA 0.305 4.775 4.470 0.000 0.000 0.304 728 S C -0.550 173.893 174.600 -0.262 0.000 1.167 728 S CA -0.517 57.627 58.200 -0.093 0.000 1.106 728 S CB 0.372 63.655 63.200 0.138 0.000 1.099 728 S HN 0.364 nan 8.310 nan 0.000 0.524 729 D N 1.099 121.155 120.400 -0.574 0.000 2.734 729 D HA 0.432 5.072 4.640 0.000 0.000 0.224 729 D C 0.946 177.091 176.300 -0.257 0.000 1.222 729 D CA -0.160 53.701 54.000 -0.231 0.000 0.761 729 D CB 0.306 41.088 40.800 -0.030 0.000 1.569 729 D HN 0.289 nan 8.370 nan 0.000 0.477 730 G N 1.119 109.878 108.800 -0.069 0.000 2.433 730 G HA2 -0.286 3.675 3.960 0.000 0.000 0.216 730 G HA3 -0.286 3.675 3.960 0.000 0.000 0.216 730 G C 1.207 176.180 174.900 0.122 0.000 1.186 730 G CA 1.161 46.282 45.100 0.036 0.000 0.779 730 G HN 0.556 nan 8.290 nan 0.000 0.543 731 Y N 1.860 122.187 120.300 0.045 0.000 2.097 731 Y HA -0.170 4.380 4.550 0.000 0.000 0.282 731 Y C 3.029 179.002 175.900 0.122 0.000 1.152 731 Y CA 2.099 60.240 58.100 0.069 0.000 1.136 731 Y CB -0.272 38.215 38.460 0.046 0.000 0.975 731 Y HN 0.092 nan 8.280 nan 0.000 0.498 732 R N -1.295 119.220 120.500 0.026 0.000 2.127 732 R HA -0.181 4.159 4.340 0.000 0.000 0.238 732 R C 1.741 178.159 176.300 0.198 0.000 1.134 732 R CA 1.407 57.552 56.100 0.075 0.000 0.975 732 R CB -0.577 29.890 30.300 0.278 0.000 0.865 732 R HN 0.288 nan 8.270 nan 0.000 0.447 733 F N 0.021 119.953 119.950 -0.030 0.000 2.811 733 F HA 0.180 4.707 4.527 0.000 0.000 0.301 733 F C 1.582 177.337 175.800 -0.074 0.000 1.151 733 F CA 0.571 58.553 58.000 -0.029 0.000 1.412 733 F CB -0.134 38.884 39.000 0.031 0.000 1.113 733 F HN 0.279 nan 8.300 nan 0.000 0.579 734 G N 0.257 109.073 108.800 0.026 0.000 2.136 734 G HA2 -0.287 3.673 3.960 0.000 0.000 0.242 734 G HA3 -0.287 3.673 3.960 0.000 0.000 0.242 734 G C 1.051 175.963 174.900 0.021 0.000 0.989 734 G CA 0.384 45.461 45.100 -0.039 0.000 0.682 734 G HN 0.411 nan 8.290 nan 0.000 0.522 735 L N -0.327 120.941 121.223 0.076 0.000 2.558 735 L HA 0.339 4.679 4.340 0.000 0.000 0.225 735 L C 2.465 179.389 176.870 0.089 0.000 1.128 735 L CA 0.925 55.818 54.840 0.088 0.000 0.868 735 L CB -0.323 41.807 42.059 0.118 0.000 1.006 735 L HN 0.957 nan 8.230 nan 0.000 0.454 736 G N 0.412 109.283 108.800 0.118 0.000 2.498 736 G HA2 -0.288 3.673 3.960 0.000 0.000 0.229 736 G HA3 -0.288 3.673 3.960 0.000 0.000 0.229 736 G C 0.288 175.329 174.900 0.235 0.000 1.156 736 G CA 0.267 45.483 45.100 0.193 0.000 0.680 736 G HN 0.726 nan 8.290 nan 0.000 0.512 737 A N -0.724 122.188 122.820 0.153 0.000 2.483 737 A HA 0.751 5.071 4.320 0.000 0.000 0.294 737 A C -0.764 176.868 177.584 0.079 0.000 1.077 737 A CA 0.566 52.672 52.037 0.115 0.000 0.633 737 A CB 0.620 19.656 19.000 0.060 0.000 1.318 737 A HN 1.621 nan 8.150 nan 0.000 0.455 738 E N -0.759 119.472 120.200 0.052 0.000 2.393 738 E HA 0.591 4.941 4.350 0.000 0.000 0.273 738 E C 0.041 176.648 176.600 0.012 0.000 0.918 738 E CA -0.372 56.050 56.400 0.036 0.000 0.773 738 E CB 1.808 31.528 29.700 0.032 0.000 1.275 738 E HN 1.240 nan 8.360 nan 0.000 0.451 739 V N -1.373 118.547 119.914 0.009 0.000 3.506 739 V HA 0.509 4.629 4.120 0.000 0.000 0.263 739 V C 0.682 176.777 176.094 0.001 0.000 1.203 739 V CA 1.081 63.375 62.300 -0.011 0.000 1.133 739 V CB -0.665 31.151 31.823 -0.012 0.000 0.802 739 V HN 0.911 nan 8.190 nan 0.000 0.459 740 G N -0.404 108.413 108.800 0.029 0.000 2.341 740 G HA2 0.370 4.330 3.960 0.000 0.000 0.293 740 G HA3 0.370 4.330 3.960 0.000 0.000 0.293 740 G C -1.642 173.311 174.900 0.089 0.000 1.298 740 G CA -0.617 44.521 45.100 0.063 0.000 0.868 740 G HN 0.222 nan 8.290 nan 0.000 0.540 741 I N 1.202 121.876 120.570 0.173 0.000 2.406 741 I HA 0.527 4.697 4.170 0.000 0.000 0.290 741 I C 0.238 176.469 176.117 0.190 0.000 0.999 741 I CA -0.753 60.623 61.300 0.126 0.000 1.124 741 I CB 1.914 39.930 38.000 0.028 0.000 1.289 741 I HN 0.453 nan 8.210 nan 0.000 0.441 742 S N 3.066 118.814 115.700 0.080 0.000 2.462 742 S HA 0.368 4.838 4.470 0.000 0.000 0.294 742 S C 0.723 175.334 174.600 0.017 0.000 1.144 742 S CA -0.475 57.786 58.200 0.101 0.000 1.088 742 S CB 0.981 64.266 63.200 0.143 0.000 1.009 742 S HN 0.751 nan 8.310 nan 0.000 0.484 743 T N 0.923 115.507 114.554 0.050 0.000 3.092 743 T HA 0.244 4.594 4.350 0.000 0.000 0.258 743 T C 0.811 175.502 174.700 -0.014 0.000 1.031 743 T CA -0.258 61.844 62.100 0.003 0.000 0.925 743 T CB 0.011 68.909 68.868 0.050 0.000 1.036 743 T HN 0.476 nan 8.240 nan 0.000 0.544 744 S N 1.055 116.734 115.700 -0.035 0.000 2.573 744 S HA 0.175 4.645 4.470 0.000 0.000 0.277 744 S C 1.145 175.641 174.600 -0.172 0.000 1.346 744 S CA -0.519 57.598 58.200 -0.139 0.000 1.034 744 S CB 0.504 63.495 63.200 -0.347 0.000 0.879 744 S HN 0.500 nan 8.310 nan 0.000 0.528 745 R N 1.630 122.033 120.500 -0.161 0.000 2.362 745 R HA 0.271 4.611 4.340 0.000 0.000 0.227 745 R C 0.284 176.486 176.300 -0.164 0.000 0.905 745 R CA 0.084 56.107 56.100 -0.130 0.000 1.067 745 R CB -0.278 29.977 30.300 -0.075 0.000 1.078 745 R HN 0.718 nan 8.270 nan 0.000 0.516 746 I N -2.262 118.137 120.570 -0.286 0.000 2.648 746 I HA 0.304 4.474 4.170 0.000 0.000 0.304 746 I C 1.121 176.951 176.117 -0.479 0.000 1.009 746 I CA -0.656 60.491 61.300 -0.254 0.000 1.114 746 I CB 1.324 39.260 38.000 -0.105 0.000 1.293 746 I HN 0.247 nan 8.210 nan 0.000 0.449 747 H N 2.098 121.174 119.070 0.010 0.000 4.783 747 H HA -0.234 4.322 4.556 0.000 0.000 0.059 747 H C -0.193 175.142 175.328 0.011 0.000 0.608 747 H CA 0.579 56.633 56.048 0.011 0.000 0.928 747 H CB -1.797 27.972 29.762 0.011 0.000 0.441 747 H HN 1.478 nan 8.280 nan 0.000 0.808 748 A N 1.806 124.728 122.820 0.171 0.000 2.532 748 A HA 0.712 5.032 4.320 0.000 0.000 0.296 748 A C -0.703 176.930 177.584 0.083 0.000 1.058 748 A CA 0.058 52.190 52.037 0.159 0.000 0.729 748 A CB 2.026 21.153 19.000 0.211 0.000 1.285 748 A HN 0.674 nan 8.150 nan 0.000 0.396 749 R N 1.614 122.139 120.500 0.042 0.000 2.621 749 R HA 0.666 5.006 4.340 0.000 0.000 0.292 749 R C 0.639 176.961 176.300 0.038 0.000 0.969 749 R CA 0.983 57.090 56.100 0.011 0.000 0.887 749 R CB 1.690 31.983 30.300 -0.013 0.000 1.180 749 R HN 2.591 nan 8.270 nan 0.000 0.450 750 G N 3.566 112.366 108.800 0.000 0.000 2.584 750 G HA2 -0.224 3.736 3.960 0.000 0.000 0.229 750 G HA3 -0.224 3.736 3.960 0.000 0.000 0.229 750 G C -2.577 172.326 174.900 0.005 0.000 1.320 750 G CA -0.828 44.270 45.100 -0.003 0.000 0.891 750 G HN 0.512 nan 8.290 nan 0.000 0.573 751 P HA 0.401 nan 4.420 nan 0.000 0.267 751 P C -0.062 177.276 177.300 0.064 0.000 1.205 751 P CA -0.227 62.872 63.100 -0.000 0.000 0.765 751 P CB 1.040 32.688 31.700 -0.087 0.000 0.828 752 V N 4.248 124.196 119.914 0.057 0.000 2.350 752 V HA 0.541 4.661 4.120 0.000 0.000 0.276 752 V C 1.039 177.165 176.094 0.053 0.000 1.028 752 V CA -0.057 62.281 62.300 0.063 0.000 0.860 752 V CB 0.882 32.742 31.823 0.061 0.000 0.990 752 V HN 0.720 nan 8.190 nan 0.000 0.453 753 G N 2.852 111.687 108.800 0.059 0.000 2.641 753 G HA2 0.441 4.401 3.960 0.000 0.000 0.239 753 G HA3 0.441 4.401 3.960 0.000 0.000 0.239 753 G C 0.812 175.731 174.900 0.033 0.000 1.402 753 G CA -0.224 44.905 45.100 0.049 0.000 1.046 753 G HN 0.812 nan 8.290 nan 0.000 0.565 754 L N -1.693 119.546 121.223 0.025 0.000 2.131 754 L HA 0.103 4.443 4.340 0.000 0.000 0.210 754 L C 2.099 178.975 176.870 0.011 0.000 1.092 754 L CA 2.148 56.995 54.840 0.013 0.000 0.759 754 L CB -0.636 41.427 42.059 0.007 0.000 0.903 754 L HN 0.402 nan 8.230 nan 0.000 0.435 755 E N 1.079 121.289 120.200 0.016 0.000 2.153 755 E HA -0.119 4.231 4.350 0.000 0.000 0.194 755 E C 2.155 178.765 176.600 0.017 0.000 0.988 755 E CA 1.235 57.643 56.400 0.013 0.000 0.811 755 E CB -0.453 29.256 29.700 0.015 0.000 0.746 755 E HN 0.728 nan 8.360 nan 0.000 0.466 756 G N 0.714 109.531 108.800 0.028 0.000 2.776 756 G HA2 -0.035 3.925 3.960 0.000 0.000 0.209 756 G HA3 -0.035 3.925 3.960 0.000 0.000 0.209 756 G C 1.269 176.174 174.900 0.008 0.000 1.145 756 G CA -0.053 45.067 45.100 0.033 0.000 0.791 756 G HN 0.136 nan 8.290 nan 0.000 0.530 757 L N -0.039 121.185 121.223 0.001 0.000 2.769 757 L HA 0.440 4.780 4.340 0.000 0.000 0.240 757 L C 0.064 176.927 176.870 -0.012 0.000 1.163 757 L CA -0.092 54.742 54.840 -0.010 0.000 0.962 757 L CB 0.144 42.198 42.059 -0.008 0.000 1.258 757 L HN 0.048 nan 8.230 nan 0.000 0.513 758 L N -1.214 120.003 121.223 -0.010 0.000 2.333 758 L HA 0.584 4.925 4.340 0.000 0.000 0.269 758 L C 0.204 177.064 176.870 -0.017 0.000 1.010 758 L CA -0.150 54.680 54.840 -0.017 0.000 0.818 758 L CB 2.147 44.193 42.059 -0.021 0.000 1.306 758 L HN -0.164 nan 8.230 nan 0.000 0.430 759 T N -0.767 113.773 114.554 -0.023 0.000 2.598 759 T HA 0.699 5.049 4.350 0.000 0.000 0.254 759 T C -0.520 174.149 174.700 -0.051 0.000 0.889 759 T CA 0.125 62.211 62.100 -0.023 0.000 1.091 759 T CB 1.820 70.683 68.868 -0.008 0.000 1.437 759 T HN 0.822 nan 8.240 nan 0.000 0.542 760 T N -0.486 114.030 114.554 -0.064 0.000 2.865 760 T HA 0.753 5.103 4.350 0.000 0.000 0.294 760 T C -1.333 173.296 174.700 -0.118 0.000 1.119 760 T CA -0.862 61.156 62.100 -0.137 0.000 1.007 760 T CB 1.893 70.611 68.868 -0.250 0.000 1.225 760 T HN 0.743 nan 8.240 nan 0.000 0.515 761 K N 0.239 120.525 120.400 -0.189 0.000 2.501 761 K HA 0.524 4.844 4.320 0.000 0.000 0.252 761 K C -2.082 174.413 176.600 -0.174 0.000 0.934 761 K CA -0.799 55.435 56.287 -0.089 0.000 0.797 761 K CB 1.678 34.163 32.500 -0.025 0.000 1.270 761 K HN 0.704 nan 8.250 nan 0.000 0.431 762 W N 5.381 126.677 121.300 -0.007 0.000 2.335 762 W HA 0.436 5.096 4.660 0.000 0.000 0.307 762 W C -0.705 175.810 176.519 -0.006 0.000 1.117 762 W CA -0.552 56.787 57.345 -0.009 0.000 1.228 762 W CB 0.853 30.305 29.460 -0.014 0.000 1.240 762 W HN 0.228 nan 8.180 nan 0.000 0.468 763 L N 5.106 126.443 121.223 0.189 0.000 2.322 763 L HA 0.570 4.911 4.340 0.000 0.000 0.281 763 L C -0.702 176.241 176.870 0.121 0.000 1.014 763 L CA -1.146 53.766 54.840 0.121 0.000 0.815 763 L CB 1.113 43.208 42.059 0.061 0.000 1.247 763 L HN 0.207 nan 8.230 nan 0.000 0.421 764 L N 4.247 125.526 121.223 0.094 0.000 2.349 764 L HA 0.524 4.865 4.340 0.000 0.000 0.278 764 L C -0.751 176.149 176.870 0.051 0.000 0.996 764 L CA -0.177 54.704 54.840 0.068 0.000 0.825 764 L CB 1.377 43.467 42.059 0.052 0.000 1.243 764 L HN 0.496 nan 8.230 nan 0.000 0.412 765 R N 3.941 124.466 120.500 0.042 0.000 2.360 765 R HA 0.743 5.083 4.340 0.000 0.000 0.318 765 R C -0.089 176.237 176.300 0.044 0.000 0.950 765 R CA -0.540 55.588 56.100 0.046 0.000 0.837 765 R CB 1.673 31.999 30.300 0.043 0.000 1.165 765 R HN 0.843 nan 8.270 nan 0.000 0.458 766 G N 0.828 109.677 108.800 0.082 0.000 3.016 766 G HA2 0.229 4.189 3.960 0.000 0.000 0.270 766 G HA3 0.229 4.189 3.960 0.000 0.000 0.270 766 G C -0.222 174.820 174.900 0.237 0.000 1.352 766 G CA -0.369 44.828 45.100 0.163 0.000 1.060 766 G HN 0.368 nan 8.290 nan 0.000 0.538 767 K N -1.126 119.523 120.400 0.415 0.000 2.159 767 K HA 0.083 4.403 4.320 0.000 0.000 0.210 767 K C 0.126 176.771 176.600 0.076 0.000 1.026 767 K CA 1.285 57.674 56.287 0.171 0.000 0.959 767 K CB 0.331 32.886 32.500 0.092 0.000 0.890 767 K HN 0.560 nan 8.250 nan 0.000 0.459 768 D N -0.766 119.618 120.400 -0.025 0.000 2.996 768 D HA 0.060 4.700 4.640 0.000 0.000 0.343 768 D C -0.921 175.352 176.300 -0.046 0.000 1.574 768 D CA -0.430 53.547 54.000 -0.038 0.000 0.773 768 D CB -0.983 39.768 40.800 -0.082 0.000 1.241 768 D HN 0.035 nan 8.370 nan 0.000 0.469 769 H N 0.317 119.431 119.070 0.074 0.000 2.722 769 H HA 0.480 5.036 4.556 0.000 0.000 0.328 769 H C 0.511 175.913 175.328 0.122 0.000 1.067 769 H CA -0.165 55.958 56.048 0.124 0.000 1.447 769 H CB 1.511 31.375 29.762 0.170 0.000 1.469 769 H HN 0.164 nan 8.280 nan 0.000 0.544 770 V N 1.333 121.393 119.914 0.244 0.000 2.735 770 V HA 0.250 4.370 4.120 0.000 0.000 0.310 770 V C 0.588 176.852 176.094 0.284 0.000 1.061 770 V CA -0.877 61.538 62.300 0.190 0.000 0.913 770 V CB 1.662 33.543 31.823 0.097 0.000 1.005 770 V HN 0.638 nan 8.190 nan 0.000 0.428 771 V N 3.122 123.163 119.914 0.211 0.000 2.515 771 V HA -0.173 3.947 4.120 0.000 0.000 0.250 771 V C 2.833 179.068 176.094 0.234 0.000 1.058 771 V CA 2.685 65.124 62.300 0.231 0.000 1.064 771 V CB -0.396 31.502 31.823 0.124 0.000 0.675 771 V HN 1.210 nan 8.190 nan 0.000 0.461 772 S N 0.103 115.890 115.700 0.144 0.000 2.387 772 S HA -0.300 4.170 4.470 0.000 0.000 0.230 772 S C 1.618 176.259 174.600 0.068 0.000 1.035 772 S CA 1.832 60.089 58.200 0.095 0.000 1.014 772 S CB -0.615 62.620 63.200 0.058 0.000 0.836 772 S HN 0.567 nan 8.310 nan 0.000 0.466 773 D N 0.761 121.189 120.400 0.047 0.000 2.263 773 D HA 0.040 4.681 4.640 0.000 0.000 0.208 773 D C 0.873 176.997 176.300 -0.293 0.000 0.971 773 D CA 0.773 54.690 54.000 -0.139 0.000 0.867 773 D CB -0.344 40.317 40.800 -0.231 0.000 0.929 773 D HN 0.587 nan 8.370 nan 0.000 0.492 774 F N 0.184 120.071 119.950 -0.105 0.000 2.727 774 F HA 0.120 4.647 4.527 0.000 0.000 0.302 774 F C 1.463 177.216 175.800 -0.078 0.000 1.097 774 F CA -0.411 57.472 58.000 -0.195 0.000 1.330 774 F CB 0.065 38.828 39.000 -0.395 0.000 1.084 774 F HN -0.226 nan 8.300 nan 0.000 0.578 775 S N -0.465 115.292 115.700 0.094 0.000 2.626 775 S HA -0.013 4.457 4.470 0.000 0.000 0.257 775 S C 1.493 176.081 174.600 -0.020 0.000 1.288 775 S CA -0.392 57.843 58.200 0.057 0.000 0.980 775 S CB 0.679 63.908 63.200 0.050 0.000 0.975 775 S HN 0.406 nan 8.310 nan 0.000 0.577 776 E N 0.241 120.381 120.200 -0.101 0.000 2.114 776 E HA -0.254 4.096 4.350 0.000 0.000 0.199 776 E C 0.834 177.247 176.600 -0.311 0.000 1.008 776 E CA 1.523 57.768 56.400 -0.258 0.000 0.810 776 E CB -0.201 29.217 29.700 -0.471 0.000 0.739 776 E HN 0.761 nan 8.360 nan 0.000 0.456 777 H N -1.027 118.044 119.070 0.001 0.000 2.505 777 H HA 0.254 4.810 4.556 0.000 0.000 0.289 777 H C 0.580 175.889 175.328 -0.033 0.000 1.052 777 H CA 0.411 56.451 56.048 -0.013 0.000 1.156 777 H CB 0.281 30.038 29.762 -0.009 0.000 1.507 777 H HN 0.098 nan 8.280 nan 0.000 0.548 778 G N 0.348 109.156 108.800 0.014 0.000 2.563 778 G HA2 0.172 4.132 3.960 0.000 0.000 0.283 778 G HA3 0.172 4.132 3.960 0.000 0.000 0.283 778 G C 1.010 175.852 174.900 -0.097 0.000 1.309 778 G CA 0.108 45.179 45.100 -0.048 0.000 1.022 778 G HN 0.303 nan 8.290 nan 0.000 0.501 779 S N -1.519 114.084 115.700 -0.162 0.000 2.503 779 S HA 0.258 4.728 4.470 0.000 0.000 0.217 779 S C 0.723 175.174 174.600 -0.249 0.000 0.999 779 S CA -0.152 57.947 58.200 -0.169 0.000 0.914 779 S CB -0.184 62.923 63.200 -0.155 0.000 0.782 779 S HN 0.298 nan 8.310 nan 0.000 0.520 780 L N 2.094 123.063 121.223 -0.422 0.000 2.334 780 L HA 0.586 4.926 4.340 0.000 0.000 0.273 780 L C -0.410 176.142 176.870 -0.530 0.000 1.013 780 L CA -0.973 53.496 54.840 -0.618 0.000 0.816 780 L CB 1.949 43.278 42.059 -1.217 0.000 1.278 780 L HN 0.185 nan 8.230 nan 0.000 0.431 781 K N 0.748 120.965 120.400 -0.306 0.000 2.259 781 K HA 0.524 4.844 4.320 0.000 0.000 0.249 781 K C -1.361 175.257 176.600 0.029 0.000 0.942 781 K CA -0.878 55.349 56.287 -0.100 0.000 0.816 781 K CB 1.455 33.941 32.500 -0.024 0.000 1.155 781 K HN 0.173 nan 8.250 nan 0.000 0.428 782 Y N 1.542 121.954 120.300 0.187 0.000 2.379 782 Y HA 0.063 4.613 4.550 0.000 0.000 0.337 782 Y C 1.232 177.055 175.900 -0.128 0.000 1.238 782 Y CA -0.235 57.814 58.100 -0.085 0.000 1.405 782 Y CB 0.687 38.882 38.460 -0.443 0.000 1.310 782 Y HN 0.494 nan 8.280 nan 0.000 0.569 783 L N 0.590 121.808 121.223 -0.008 0.000 2.445 783 L HA 0.040 4.380 4.340 0.000 0.000 0.207 783 L C 0.090 176.989 176.870 0.047 0.000 1.053 783 L CA 0.056 54.910 54.840 0.023 0.000 0.841 783 L CB -0.152 41.931 42.059 0.040 0.000 1.074 783 L HN 0.680 nan 8.230 nan 0.000 0.479 784 H N 1.838 120.966 119.070 0.096 0.000 2.506 784 H HA -0.153 4.403 4.556 0.000 0.000 0.323 784 H C -0.258 175.088 175.328 0.030 0.000 1.076 784 H CA 0.514 56.581 56.048 0.031 0.000 1.108 784 H CB -1.751 28.001 29.762 -0.016 0.000 1.569 784 H HN 0.505 nan 8.280 nan 0.000 0.399 785 E N 1.642 121.920 120.200 0.130 0.000 2.081 785 E HA 0.168 4.518 4.350 0.000 0.000 0.276 785 E C 0.241 176.885 176.600 0.074 0.000 0.950 785 E CA -0.771 55.680 56.400 0.085 0.000 0.776 785 E CB 0.745 30.483 29.700 0.063 0.000 1.094 785 E HN 0.257 nan 8.360 nan 0.000 0.402 786 N N 3.194 121.931 118.700 0.061 0.000 2.483 786 N HA 0.131 4.871 4.740 0.000 0.000 0.264 786 N C -0.539 174.994 175.510 0.038 0.000 1.197 786 N CA 0.279 53.358 53.050 0.048 0.000 0.927 786 N CB 0.672 39.181 38.487 0.037 0.000 1.065 786 N HN 0.351 nan 8.380 nan 0.000 0.461 787 L N 2.836 124.079 121.223 0.034 0.000 2.334 787 L HA 0.520 4.860 4.340 0.000 0.000 0.272 787 L C -1.950 174.930 176.870 0.018 0.000 1.020 787 L CA -1.999 52.856 54.840 0.026 0.000 0.812 787 L CB 1.093 43.168 42.059 0.027 0.000 1.264 787 L HN 0.252 nan 8.230 nan 0.000 0.439 788 P HA 0.226 nan 4.420 nan 0.000 0.268 788 P C -0.953 176.349 177.300 0.004 0.000 1.205 788 P CA 0.236 63.341 63.100 0.008 0.000 0.771 788 P CB 0.514 32.219 31.700 0.008 0.000 0.858 789 I N 4.084 124.653 120.570 -0.001 0.000 2.465 789 I HA 0.277 4.447 4.170 0.000 0.000 0.291 789 I C -1.809 174.304 176.117 -0.007 0.000 1.014 789 I CA -2.430 58.866 61.300 -0.006 0.000 1.093 789 I CB 1.461 39.453 38.000 -0.013 0.000 1.267 789 I HN 0.268 nan 8.210 nan 0.000 0.431 790 P HA -0.018 nan 4.420 nan 0.000 0.261 790 P C -0.207 177.087 177.300 -0.009 0.000 1.158 790 P CA 0.334 63.429 63.100 -0.008 0.000 0.758 790 P CB 0.145 31.839 31.700 -0.009 0.000 0.763 791 Q N 3.164 122.959 119.800 -0.007 0.000 2.368 791 Q HA 0.270 4.610 4.340 0.000 0.000 0.237 791 Q C 0.598 176.593 176.000 -0.009 0.000 0.987 791 Q CA 0.022 55.820 55.803 -0.008 0.000 0.896 791 Q CB 0.483 29.218 28.738 -0.006 0.000 1.241 791 Q HN 0.546 nan 8.270 nan 0.000 0.485 792 R N -0.412 120.082 120.500 -0.010 0.000 2.608 792 R HA 0.773 5.113 4.340 0.000 0.000 0.255 792 R C 0.368 176.664 176.300 -0.007 0.000 1.086 792 R CA 0.318 56.413 56.100 -0.009 0.000 1.125 792 R CB 1.013 31.306 30.300 -0.011 0.000 1.193 792 R HN 0.984 nan 8.270 nan 0.000 0.553 793 N N 0.000 118.697 118.700 -0.006 0.000 1.763 793 N HA 0.000 4.740 4.740 0.000 0.000 0.220 793 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 793 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 793 N HN 0.000 nan 8.380 nan 0.000 0.667