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 2vgl_1_M DATA FIRST_RESID 1 DATA SEQUENCE MIGGLFIYNH KGEVLISRVY RDDIGRNAVD AFRVNVIHAR QQVRSPVTNI DATA SEQUENCE ARTSFFHVKR SNIWLAAVTK QNVNAAMVFE FLYKMCDVMA AYFGKISEEN DATA SEQUENCE IKNNFVLIYE LLDEILDFGY PQNSETGALK TFITQQGIKS QXXXXXXXXX DATA SEQUENCE XXXXXXXXIG WRREGIKYRR NELFLDVLES VNLLMSPQGQ VLSAHVSGRV DATA SEQUENCE VMKSYLSGMP ECKFGMNDKI VIXXXXXXXX XXXXXXXXXS IAIDDCTFHQ DATA SEQUENCE CVRLSXXXXX RSISFIPPDG EFELMRYRTT KDIILPFRVI PLVREVGRTK DATA SEQUENCE LEVKVVIKSN FKPSLLAQKI EVRIPTPLNT SGVQVICMKG KAKYKASENA DATA SEQUENCE IVWKIKRMAG MKESQISAEI ELLPTNDKKK WARPPISMNF EVPFAPSGLK DATA SEQUENCE VRYLKVFEPK LNYSDHDVIK WVRYIGRSGI YETRC 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.014 176.300 -0.476 0.000 1.140 1 M CA 0.000 54.993 55.300 -0.511 0.000 0.988 1 M CB 0.000 32.248 32.600 -0.586 0.000 1.302 2 I N 2.312 122.537 120.570 -0.574 0.000 2.533 2 I HA 0.162 4.333 4.170 0.001 0.000 0.284 2 I C 1.222 177.100 176.117 -0.399 0.000 1.109 2 I CA 0.636 61.632 61.300 -0.508 0.000 1.412 2 I CB 1.162 38.789 38.000 -0.622 0.000 1.396 2 I HN 0.759 nan 8.210 nan 0.000 0.543 3 G N 4.556 113.206 108.800 -0.251 0.000 2.796 3 G HA2 0.398 4.359 3.960 0.001 0.000 0.210 3 G HA3 0.398 4.359 3.960 0.001 0.000 0.210 3 G C 0.509 175.392 174.900 -0.027 0.000 1.146 3 G CA 0.321 45.330 45.100 -0.151 0.000 0.779 3 G HN 0.808 nan 8.290 nan 0.000 0.535 4 G N -0.632 108.164 108.800 -0.008 0.000 2.716 4 G HA2 0.457 4.417 3.960 0.001 0.000 0.299 4 G HA3 0.457 4.417 3.960 0.001 0.000 0.299 4 G C -2.238 172.574 174.900 -0.145 0.000 1.450 4 G CA -0.613 44.446 45.100 -0.069 0.000 0.968 4 G HN 0.274 nan 8.290 nan 0.000 0.566 5 L N 1.207 122.208 121.223 -0.369 0.000 2.333 5 L HA 0.890 5.230 4.340 0.001 0.000 0.280 5 L C -1.431 175.089 176.870 -0.582 0.000 1.004 5 L CA -0.849 53.855 54.840 -0.227 0.000 0.820 5 L CB 1.213 43.283 42.059 0.019 0.000 1.247 5 L HN 0.415 nan 8.230 nan 0.000 0.416 6 F N 5.527 125.460 119.950 -0.028 0.000 2.536 6 F HA 0.536 5.064 4.527 0.001 0.000 0.322 6 F C -0.225 175.541 175.800 -0.057 0.000 1.144 6 F CA -0.566 57.347 58.000 -0.145 0.000 0.924 6 F CB 1.488 40.318 39.000 -0.283 0.000 1.181 6 F HN 0.153 nan 8.300 nan 0.000 0.438 7 I N 4.066 124.683 120.570 0.079 0.000 2.354 7 I HA 0.351 4.522 4.170 0.001 0.000 0.292 7 I C -1.080 175.121 176.117 0.140 0.000 0.989 7 I CA -0.781 60.627 61.300 0.179 0.000 1.188 7 I CB 1.226 39.309 38.000 0.137 0.000 1.342 7 I HN 0.524 nan 8.210 nan 0.000 0.457 8 Y N 4.900 125.355 120.300 0.259 0.000 2.485 8 Y HA 0.298 4.849 4.550 0.002 0.000 0.345 8 Y C 0.534 176.577 175.900 0.239 0.000 0.998 8 Y CA -0.860 57.365 58.100 0.210 0.000 1.059 8 Y CB 1.551 40.118 38.460 0.178 0.000 1.234 8 Y HN 0.570 nan 8.280 nan 0.000 0.461 9 N N 1.731 120.619 118.700 0.314 0.000 2.413 9 N HA -0.027 4.714 4.740 0.001 0.000 0.266 9 N C 0.952 176.596 175.510 0.223 0.000 1.238 9 N CA -0.191 52.990 53.050 0.218 0.000 0.972 9 N CB 0.268 38.786 38.487 0.052 0.000 1.210 9 N HN 0.982 nan 8.380 nan 0.000 0.547 10 H N -0.605 118.633 119.070 0.280 0.000 2.518 10 H HA 0.003 4.560 4.556 0.002 0.000 0.292 10 H C 0.312 175.750 175.328 0.185 0.000 1.068 10 H CA 0.931 57.149 56.048 0.283 0.000 1.275 10 H CB -0.007 29.887 29.762 0.221 0.000 1.375 10 H HN 0.551 nan 8.280 nan 0.000 0.563 11 K N 0.413 120.675 120.400 -0.230 0.000 2.459 11 K HA 0.088 4.408 4.320 0.001 0.000 0.193 11 K C 1.068 177.682 176.600 0.024 0.000 1.030 11 K CA 0.394 56.668 56.287 -0.021 0.000 1.026 11 K CB 0.397 32.835 32.500 -0.103 0.000 0.809 11 K HN 0.508 nan 8.250 nan 0.000 0.504 12 G N 2.445 111.192 108.800 -0.089 0.000 2.198 12 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 12 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 12 G C -0.590 174.401 174.900 0.151 0.000 1.025 12 G CA 0.071 45.082 45.100 -0.149 0.000 0.769 12 G HN 0.399 nan 8.290 nan 0.000 0.507 13 E N -0.348 119.939 120.200 0.145 0.000 2.229 13 E HA 0.401 4.752 4.350 0.001 0.000 0.283 13 E C 0.606 177.296 176.600 0.151 0.000 1.030 13 E CA -0.756 55.728 56.400 0.140 0.000 0.836 13 E CB 1.662 31.403 29.700 0.068 0.000 1.068 13 E HN 0.093 nan 8.360 nan 0.000 0.401 14 V N 6.378 126.311 119.914 0.033 0.000 2.393 14 V HA -0.094 4.027 4.120 0.001 0.000 0.257 14 V C 1.455 177.533 176.094 -0.027 0.000 1.040 14 V CA 0.502 62.702 62.300 -0.166 0.000 1.097 14 V CB -0.629 31.060 31.823 -0.223 0.000 1.101 14 V HN 0.755 nan 8.190 nan 0.000 0.479 15 L N 4.702 125.948 121.223 0.038 0.000 1.970 15 L HA 0.006 4.347 4.340 0.001 0.000 0.212 15 L C 0.915 177.800 176.870 0.024 0.000 1.071 15 L CA 1.894 56.804 54.840 0.116 0.000 0.751 15 L CB -0.072 42.111 42.059 0.207 0.000 0.889 15 L HN 0.519 nan 8.230 nan 0.000 0.432 16 I N -1.340 119.220 120.570 -0.017 0.000 2.752 16 I HA 0.353 4.524 4.170 0.001 0.000 0.295 16 I C -0.797 175.243 176.117 -0.129 0.000 1.219 16 I CA -0.234 60.986 61.300 -0.133 0.000 1.030 16 I CB 2.107 39.987 38.000 -0.200 0.000 1.259 16 I HN 0.133 nan 8.210 nan 0.000 0.423 17 S N 5.881 121.498 115.700 -0.138 0.000 2.656 17 S HA 0.792 5.263 4.470 0.001 0.000 0.273 17 S C -1.068 173.375 174.600 -0.262 0.000 1.168 17 S CA -0.896 57.136 58.200 -0.280 0.000 0.817 17 S CB 2.225 65.235 63.200 -0.316 0.000 1.146 17 S HN 0.852 nan 8.310 nan 0.000 0.475 18 R N 0.741 120.933 120.500 -0.512 0.000 2.572 18 R HA 0.558 4.899 4.340 0.001 0.000 0.273 18 R C -2.283 173.563 176.300 -0.757 0.000 1.168 18 R CA -0.423 55.348 56.100 -0.548 0.000 1.021 18 R CB 1.671 31.628 30.300 -0.571 0.000 1.249 18 R HN 0.651 nan 8.270 nan 0.000 0.423 19 V N 5.900 125.483 119.914 -0.552 0.000 2.432 19 V HA 0.232 4.353 4.120 0.001 0.000 0.275 19 V C -0.089 175.746 176.094 -0.433 0.000 1.043 19 V CA 0.092 62.166 62.300 -0.377 0.000 0.925 19 V CB 1.313 33.047 31.823 -0.148 0.000 0.985 19 V HN 0.820 nan 8.190 nan 0.000 0.466 20 Y N 4.024 124.237 120.300 -0.146 0.000 2.458 20 Y HA 0.366 4.917 4.550 0.001 0.000 0.254 20 Y C 1.065 176.891 175.900 -0.122 0.000 1.120 20 Y CA -0.261 57.765 58.100 -0.124 0.000 1.282 20 Y CB 0.550 38.870 38.460 -0.233 0.000 1.109 20 Y HN 0.474 nan 8.280 nan 0.000 0.526 21 R N -0.672 119.814 120.500 -0.022 0.000 2.643 21 R HA 0.226 4.567 4.340 0.001 0.000 0.269 21 R C -1.238 175.051 176.300 -0.019 0.000 1.037 21 R CA -0.654 55.416 56.100 -0.049 0.000 0.894 21 R CB 1.095 31.278 30.300 -0.194 0.000 1.238 21 R HN -0.035 nan 8.270 nan 0.000 0.459 22 D N -0.011 120.393 120.400 0.008 0.000 2.328 22 D HA -0.030 4.611 4.640 0.001 0.000 0.226 22 D C 0.075 176.379 176.300 0.007 0.000 1.066 22 D CA 0.399 54.406 54.000 0.012 0.000 0.861 22 D CB 0.208 41.022 40.800 0.023 0.000 0.912 22 D HN 0.376 nan 8.370 nan 0.000 0.521 23 D N 0.236 120.632 120.400 -0.006 0.000 2.460 23 D HA 0.176 4.817 4.640 0.001 0.000 0.229 23 D C -0.391 175.909 176.300 -0.000 0.000 1.170 23 D CA 0.017 54.013 54.000 -0.006 0.000 0.827 23 D CB 0.079 40.867 40.800 -0.020 0.000 0.973 23 D HN 0.207 nan 8.370 nan 0.000 0.496 24 I N 0.331 120.911 120.570 0.017 0.000 2.787 24 I HA 0.265 4.436 4.170 0.001 0.000 0.275 24 I C 0.891 177.052 176.117 0.074 0.000 1.371 24 I CA -0.666 60.660 61.300 0.042 0.000 0.949 24 I CB 1.396 39.425 38.000 0.047 0.000 1.407 24 I HN -0.113 nan 8.210 nan 0.000 0.557 25 G N 2.117 110.950 108.800 0.056 0.000 2.546 25 G HA2 0.231 4.192 3.960 0.001 0.000 0.239 25 G HA3 0.231 4.192 3.960 0.001 0.000 0.239 25 G C 0.842 175.776 174.900 0.056 0.000 1.476 25 G CA -0.254 44.879 45.100 0.054 0.000 1.064 25 G HN 0.455 nan 8.290 nan 0.000 0.561 26 R N -0.433 120.091 120.500 0.040 0.000 2.117 26 R HA -0.128 4.213 4.340 0.001 0.000 0.243 26 R C 2.408 178.724 176.300 0.026 0.000 1.143 26 R CA 1.559 57.676 56.100 0.029 0.000 0.968 26 R CB -0.253 30.059 30.300 0.021 0.000 0.863 26 R HN 0.370 nan 8.270 nan 0.000 0.444 27 N N 0.616 119.337 118.700 0.036 0.000 2.094 27 N HA -0.199 4.542 4.740 0.001 0.000 0.191 27 N C 1.621 177.180 175.510 0.081 0.000 1.023 27 N CA 1.758 54.836 53.050 0.048 0.000 0.857 27 N CB -0.435 38.083 38.487 0.051 0.000 1.013 27 N HN 0.293 nan 8.380 nan 0.000 0.426 28 A N 0.529 123.408 122.820 0.098 0.000 1.877 28 A HA -0.088 4.233 4.320 0.001 0.000 0.216 28 A C 2.545 180.214 177.584 0.141 0.000 1.186 28 A CA 1.509 53.666 52.037 0.200 0.000 0.620 28 A CB -0.891 18.178 19.000 0.114 0.000 0.822 28 A HN 0.103 nan 8.150 nan 0.000 0.443 29 V N 0.801 120.676 119.914 -0.064 0.000 2.255 29 V HA -0.275 3.845 4.120 0.001 0.000 0.247 29 V C 2.197 178.313 176.094 0.036 0.000 1.051 29 V CA 2.483 64.722 62.300 -0.102 0.000 1.018 29 V CB -0.898 30.816 31.823 -0.182 0.000 0.641 29 V HN 0.521 nan 8.190 nan 0.000 0.445 30 D N 0.177 120.581 120.400 0.006 0.000 2.144 30 D HA -0.066 4.575 4.640 0.001 0.000 0.200 30 D C 2.213 178.465 176.300 -0.080 0.000 0.978 30 D CA 1.431 55.419 54.000 -0.021 0.000 0.833 30 D CB -0.496 40.297 40.800 -0.011 0.000 0.961 30 D HN 0.413 nan 8.370 nan 0.000 0.470 31 A N 0.569 123.350 122.820 -0.064 0.000 1.884 31 A HA -0.238 4.083 4.320 0.001 0.000 0.219 31 A C 2.123 179.478 177.584 -0.381 0.000 1.197 31 A CA 1.454 53.393 52.037 -0.163 0.000 0.637 31 A CB -1.130 17.838 19.000 -0.053 0.000 0.827 31 A HN 0.310 nan 8.150 nan 0.000 0.450 32 F N 0.176 119.783 119.950 -0.573 0.000 2.325 32 F HA -0.012 4.516 4.527 0.002 0.000 0.299 32 F C 2.311 177.718 175.800 -0.655 0.000 1.090 32 F CA 1.487 59.048 58.000 -0.731 0.000 1.392 32 F CB -0.134 38.561 39.000 -0.509 0.000 1.053 32 F HN 0.232 nan 8.300 nan 0.000 0.521 33 R N -0.144 120.061 120.500 -0.491 0.000 2.090 33 R HA -0.083 4.258 4.340 0.001 0.000 0.228 33 R C 1.842 177.846 176.300 -0.494 0.000 1.110 33 R CA 1.781 57.525 56.100 -0.593 0.000 0.973 33 R CB -0.492 29.666 30.300 -0.236 0.000 0.869 33 R HN 0.288 nan 8.270 nan 0.000 0.440 34 V N 1.674 121.389 119.914 -0.331 0.000 2.346 34 V HA -0.124 3.997 4.120 0.001 0.000 0.244 34 V C 1.506 177.436 176.094 -0.273 0.000 1.037 34 V CA 1.787 63.960 62.300 -0.212 0.000 1.029 34 V CB -0.339 31.398 31.823 -0.144 0.000 0.663 34 V HN 0.455 nan 8.190 nan 0.000 0.454 35 N N -0.861 117.614 118.700 -0.374 0.000 2.299 35 N HA 0.094 4.835 4.740 0.001 0.000 0.187 35 N C 1.071 176.329 175.510 -0.421 0.000 1.099 35 N CA 0.543 53.397 53.050 -0.327 0.000 0.867 35 N CB 1.569 39.890 38.487 -0.277 0.000 0.974 35 N HN 0.357 nan 8.380 nan 0.000 0.477 36 V N 0.424 119.915 119.914 -0.705 0.000 3.134 36 V HA 0.121 4.242 4.120 0.001 0.000 0.222 36 V C 2.009 177.525 176.094 -0.963 0.000 1.247 36 V CA -0.007 61.807 62.300 -0.811 0.000 1.281 36 V CB 0.072 31.194 31.823 -1.169 0.000 1.169 36 V HN -0.029 nan 8.190 nan 0.000 0.512 37 I N 0.493 120.159 120.570 -1.507 0.000 2.264 37 I HA -0.231 3.940 4.170 0.001 0.000 0.248 37 I C 1.359 176.959 176.117 -0.861 0.000 1.111 37 I CA 1.969 62.281 61.300 -1.647 0.000 1.382 37 I CB -0.210 36.672 38.000 -1.864 0.000 1.060 37 I HN 0.453 nan 8.210 nan 0.000 0.418 38 H N 0.008 118.797 119.070 -0.469 0.000 2.481 38 H HA 0.481 5.038 4.556 0.001 0.000 0.273 38 H C 0.496 175.702 175.328 -0.204 0.000 1.145 38 H CA -0.613 55.284 56.048 -0.251 0.000 0.964 38 H CB 0.268 29.901 29.762 -0.214 0.000 1.722 38 H HN 0.213 nan 8.280 nan 0.000 0.573 39 A N 0.757 123.493 122.820 -0.140 0.000 2.507 39 A HA 0.172 4.493 4.320 0.001 0.000 0.235 39 A C 0.846 178.411 177.584 -0.032 0.000 1.070 39 A CA 0.158 52.134 52.037 -0.101 0.000 0.768 39 A CB 0.621 19.566 19.000 -0.093 0.000 1.011 39 A HN 0.612 nan 8.150 nan 0.000 0.502 40 R N -0.479 120.001 120.500 -0.034 0.000 1.895 40 R HA 0.188 4.529 4.340 0.001 0.000 0.129 40 R C 0.943 177.226 176.300 -0.028 0.000 2.021 40 R CA -0.275 55.817 56.100 -0.014 0.000 1.709 40 R CB -0.126 30.166 30.300 -0.013 0.000 1.397 40 R HN 0.777 nan 8.270 nan 0.000 0.484 41 Q N 1.618 121.386 119.800 -0.054 0.000 2.253 41 Q HA 0.095 4.436 4.340 0.001 0.000 0.210 41 Q C -0.552 175.406 176.000 -0.070 0.000 0.907 41 Q CA 0.233 55.986 55.803 -0.085 0.000 0.948 41 Q CB 0.906 29.563 28.738 -0.134 0.000 1.033 41 Q HN 0.296 nan 8.270 nan 0.000 0.471 42 Q N 0.594 120.362 119.800 -0.053 0.000 2.304 42 Q HA 0.157 4.498 4.340 0.001 0.000 0.260 42 Q C -0.313 175.672 176.000 -0.025 0.000 0.965 42 Q CA -0.257 55.520 55.803 -0.044 0.000 0.898 42 Q CB 1.486 30.193 28.738 -0.052 0.000 1.196 42 Q HN -0.005 nan 8.270 nan 0.000 0.402 43 V N 4.407 124.308 119.914 -0.021 0.000 2.416 43 V HA -0.063 4.057 4.120 0.001 0.000 0.267 43 V C 0.776 176.882 176.094 0.020 0.000 1.007 43 V CA 0.389 62.686 62.300 -0.004 0.000 1.102 43 V CB -0.546 31.272 31.823 -0.007 0.000 1.035 43 V HN 0.652 nan 8.190 nan 0.000 0.473 44 R N 4.315 124.839 120.500 0.039 0.000 2.640 44 R HA 0.277 4.617 4.340 0.001 0.000 0.270 44 R C 0.283 176.631 176.300 0.080 0.000 1.024 44 R CA 0.637 56.787 56.100 0.083 0.000 1.085 44 R CB 0.490 30.853 30.300 0.105 0.000 0.963 44 R HN 0.891 nan 8.270 nan 0.000 0.426 45 S N 3.047 118.816 115.700 0.116 0.000 2.570 45 S HA 0.379 4.850 4.470 0.001 0.000 0.270 45 S C -2.357 172.324 174.600 0.135 0.000 1.149 45 S CA -1.226 57.028 58.200 0.091 0.000 0.837 45 S CB 2.152 65.386 63.200 0.057 0.000 1.124 45 S HN 0.492 nan 8.310 nan 0.000 0.465 46 P HA 0.083 nan 4.420 nan 0.000 0.222 46 P C -0.223 177.211 177.300 0.224 0.000 1.147 46 P CA 0.827 63.964 63.100 0.062 0.000 0.790 46 P CB -0.090 31.627 31.700 0.028 0.000 0.780 47 V N -1.799 118.200 119.914 0.142 0.000 2.735 47 V HA 0.569 4.690 4.120 0.001 0.000 0.310 47 V C -0.236 175.893 176.094 0.059 0.000 1.061 47 V CA -0.540 61.761 62.300 0.002 0.000 0.913 47 V CB 2.002 33.708 31.823 -0.195 0.000 1.005 47 V HN -0.151 nan 8.190 nan 0.000 0.428 48 T N 2.145 116.764 114.554 0.108 0.000 2.923 48 T HA 0.428 4.779 4.350 0.001 0.000 0.311 48 T C -0.934 173.885 174.700 0.199 0.000 1.183 48 T CA -0.654 61.523 62.100 0.129 0.000 1.020 48 T CB 1.991 70.935 68.868 0.126 0.000 1.165 48 T HN 0.672 nan 8.240 nan 0.000 0.482 49 N N 1.988 120.772 118.700 0.139 0.000 2.417 49 N HA 0.567 5.307 4.740 0.001 0.000 0.274 49 N C -1.459 174.148 175.510 0.160 0.000 0.987 49 N CA -0.428 52.721 53.050 0.166 0.000 0.912 49 N CB 0.944 39.477 38.487 0.076 0.000 1.177 49 N HN 0.624 nan 8.380 nan 0.000 0.490 50 I N 2.059 122.777 120.570 0.247 0.000 2.569 50 I HA 0.307 4.478 4.170 0.001 0.000 0.290 50 I C 0.301 176.518 176.117 0.167 0.000 1.088 50 I CA -0.735 60.656 61.300 0.152 0.000 1.047 50 I CB 1.916 39.955 38.000 0.064 0.000 1.237 50 I HN 0.675 nan 8.210 nan 0.000 0.421 51 A N 5.266 128.141 122.820 0.091 0.000 2.466 51 A HA -0.244 4.077 4.320 0.001 0.000 0.295 51 A C 1.138 178.766 177.584 0.074 0.000 1.465 51 A CA 1.327 53.407 52.037 0.072 0.000 0.744 51 A CB -1.415 17.627 19.000 0.070 0.000 1.098 51 A HN 0.985 nan 8.150 nan 0.000 0.402 52 R N -2.662 117.875 120.500 0.062 0.000 3.946 52 R HA -0.198 4.143 4.340 0.001 0.000 0.329 52 R C -0.164 176.156 176.300 0.032 0.000 1.209 52 R CA 1.514 57.639 56.100 0.041 0.000 0.909 52 R CB -2.595 27.720 30.300 0.024 0.000 1.355 52 R HN 0.894 nan 8.270 nan 0.000 0.539 53 T N -0.155 114.439 114.554 0.067 0.000 2.812 53 T HA 0.425 4.776 4.350 0.001 0.000 0.282 53 T C -0.076 174.576 174.700 -0.081 0.000 0.990 53 T CA -0.550 61.526 62.100 -0.040 0.000 0.960 53 T CB 2.131 70.967 68.868 -0.053 0.000 0.948 53 T HN -0.012 nan 8.240 nan 0.000 0.438 54 S N 2.102 117.691 115.700 -0.185 0.000 2.616 54 S HA 0.705 5.176 4.470 0.001 0.000 0.277 54 S C -0.898 173.509 174.600 -0.321 0.000 1.234 54 S CA -0.552 57.576 58.200 -0.120 0.000 1.028 54 S CB 0.280 63.442 63.200 -0.065 0.000 0.988 54 S HN 0.542 nan 8.310 nan 0.000 0.522 55 F N 2.062 122.013 119.950 0.000 0.000 2.612 55 F HA 0.487 5.015 4.527 0.001 0.000 0.332 55 F C -0.830 175.004 175.800 0.056 0.000 1.167 55 F CA -0.663 57.416 58.000 0.132 0.000 0.970 55 F CB 0.928 40.089 39.000 0.268 0.000 1.234 55 F HN 0.393 nan 8.300 nan 0.000 0.453 56 F N 2.790 122.813 119.950 0.121 0.000 2.432 56 F HA 0.584 5.112 4.527 0.002 0.000 0.329 56 F C 0.267 176.159 175.800 0.154 0.000 1.076 56 F CA -0.854 57.128 58.000 -0.030 0.000 1.018 56 F CB 1.311 40.030 39.000 -0.468 0.000 1.201 56 F HN 0.468 nan 8.300 nan 0.000 0.489 57 H N -0.659 118.640 119.070 0.382 0.000 3.112 57 H HA 0.642 5.198 4.556 0.001 0.000 0.347 57 H C -2.420 173.191 175.328 0.472 0.000 1.188 57 H CA -0.846 55.463 56.048 0.436 0.000 1.240 57 H CB 0.916 31.085 29.762 0.678 0.000 1.920 57 H HN 0.473 nan 8.280 nan 0.000 0.535 58 V N 3.031 123.223 119.914 0.463 0.000 2.628 58 V HA 0.302 4.423 4.120 0.001 0.000 0.306 58 V C 0.058 176.350 176.094 0.330 0.000 1.045 58 V CA -0.854 61.665 62.300 0.364 0.000 0.905 58 V CB 1.913 33.930 31.823 0.324 0.000 0.997 58 V HN 0.644 nan 8.190 nan 0.000 0.436 59 K N 4.263 124.752 120.400 0.148 0.000 2.211 59 K HA 0.536 4.857 4.320 0.001 0.000 0.275 59 K C -0.751 175.839 176.600 -0.017 0.000 1.024 59 K CA -0.742 55.483 56.287 -0.102 0.000 0.887 59 K CB 0.881 33.160 32.500 -0.368 0.000 1.084 59 K HN 0.416 nan 8.250 nan 0.000 0.463 60 R N 2.256 122.757 120.500 0.002 0.000 2.422 60 R HA 0.169 4.510 4.340 0.001 0.000 0.307 60 R C 0.125 176.443 176.300 0.030 0.000 1.004 60 R CA -0.331 55.792 56.100 0.039 0.000 0.882 60 R CB 1.041 31.396 30.300 0.092 0.000 1.164 60 R HN 0.938 nan 8.270 nan 0.000 0.489 61 S N 2.517 118.223 115.700 0.010 0.000 4.064 61 S HA -0.360 4.111 4.470 0.001 0.000 0.625 61 S C 0.949 175.559 174.600 0.018 0.000 2.010 61 S CA 1.998 60.212 58.200 0.023 0.000 4.186 61 S CB -0.957 62.277 63.200 0.055 0.000 0.211 61 S HN 0.957 nan 8.310 nan 0.000 0.605 62 N N 1.790 120.535 118.700 0.074 0.000 2.370 62 N HA 0.267 5.008 4.740 0.001 0.000 0.198 62 N C 0.161 175.793 175.510 0.203 0.000 1.156 62 N CA 0.103 53.235 53.050 0.137 0.000 0.839 62 N CB 0.000 38.603 38.487 0.192 0.000 0.989 62 N HN 0.394 nan 8.380 nan 0.000 0.468 63 I N 0.449 121.109 120.570 0.151 0.000 2.498 63 I HA 0.311 4.482 4.170 0.001 0.000 0.301 63 I C -0.558 175.690 176.117 0.219 0.000 0.984 63 I CA -1.007 60.438 61.300 0.243 0.000 1.204 63 I CB 0.480 38.608 38.000 0.214 0.000 1.362 63 I HN 0.125 nan 8.210 nan 0.000 0.471 64 W N 5.878 127.327 121.300 0.248 0.000 2.475 64 W HA 0.597 5.258 4.660 0.001 0.000 0.317 64 W C -0.744 175.984 176.519 0.348 0.000 1.046 64 W CA -0.444 57.080 57.345 0.299 0.000 1.215 64 W CB 1.070 30.702 29.460 0.287 0.000 1.335 64 W HN 0.140 nan 8.180 nan 0.000 0.471 65 L N 3.466 124.998 121.223 0.515 0.000 2.317 65 L HA 0.842 5.183 4.340 0.001 0.000 0.281 65 L C 0.108 177.221 176.870 0.404 0.000 1.024 65 L CA -0.598 54.482 54.840 0.400 0.000 0.810 65 L CB 1.511 43.736 42.059 0.276 0.000 1.240 65 L HN 0.521 nan 8.230 nan 0.000 0.427 66 A N 2.576 125.572 122.820 0.292 0.000 2.408 66 A HA 0.905 5.226 4.320 0.001 0.000 0.295 66 A C -1.052 176.619 177.584 0.145 0.000 1.040 66 A CA -0.352 51.765 52.037 0.133 0.000 0.707 66 A CB 1.437 20.229 19.000 -0.347 0.000 1.235 66 A HN 0.728 nan 8.150 nan 0.000 0.418 67 A N 1.397 124.283 122.820 0.110 0.000 2.340 67 A HA 0.850 5.171 4.320 0.001 0.000 0.331 67 A C -0.710 176.914 177.584 0.067 0.000 1.140 67 A CA -0.561 51.484 52.037 0.013 0.000 0.801 67 A CB 1.237 20.108 19.000 -0.215 0.000 1.234 67 A HN 1.611 nan 8.150 nan 0.000 0.469 68 V N 1.196 121.093 119.914 -0.028 0.000 2.733 68 V HA 0.771 4.892 4.120 0.001 0.000 0.306 68 V C -0.275 175.724 176.094 -0.158 0.000 1.084 68 V CA -0.341 61.879 62.300 -0.134 0.000 0.905 68 V CB 1.589 33.332 31.823 -0.133 0.000 1.010 68 V HN 1.231 nan 8.190 nan 0.000 0.424 69 T N 0.339 114.796 114.554 -0.162 0.000 2.843 69 T HA 0.511 4.862 4.350 0.001 0.000 0.302 69 T C -0.300 174.322 174.700 -0.130 0.000 1.232 69 T CA -0.968 61.044 62.100 -0.147 0.000 1.009 69 T CB 2.458 71.243 68.868 -0.139 0.000 1.254 69 T HN 0.514 nan 8.240 nan 0.000 0.504 70 K N 0.416 120.753 120.400 -0.105 0.000 2.577 70 K HA 0.257 4.578 4.320 0.001 0.000 0.210 70 K C -0.042 176.528 176.600 -0.049 0.000 1.048 70 K CA -0.049 56.197 56.287 -0.069 0.000 1.188 70 K CB 0.217 32.684 32.500 -0.056 0.000 0.910 70 K HN 0.472 nan 8.250 nan 0.000 0.483 71 Q N 0.020 119.791 119.800 -0.049 0.000 2.484 71 Q HA 0.186 4.527 4.340 0.001 0.000 0.285 71 Q C -0.593 175.402 176.000 -0.010 0.000 1.097 71 Q CA -0.610 55.169 55.803 -0.039 0.000 0.802 71 Q CB 1.668 30.363 28.738 -0.073 0.000 1.444 71 Q HN 0.102 nan 8.270 nan 0.000 0.429 72 N N 1.131 119.828 118.700 -0.004 0.000 3.254 72 N HA 0.107 4.848 4.740 0.001 0.000 0.308 72 N C -0.829 174.692 175.510 0.019 0.000 1.281 72 N CA -0.097 52.962 53.050 0.016 0.000 1.212 72 N CB 0.290 38.785 38.487 0.013 0.000 1.478 72 N HN 0.193 nan 8.380 nan 0.000 0.548 73 V N 1.605 121.537 119.914 0.029 0.000 3.264 73 V HA 0.007 4.128 4.120 0.001 0.000 0.304 73 V C 1.025 177.137 176.094 0.029 0.000 1.086 73 V CA -0.600 61.696 62.300 -0.007 0.000 1.090 73 V CB 1.246 33.031 31.823 -0.065 0.000 1.112 73 V HN 0.550 nan 8.190 nan 0.000 0.472 74 N N 1.569 120.258 118.700 -0.019 0.000 2.549 74 N HA 0.094 4.835 4.740 0.001 0.000 0.267 74 N C 1.065 176.604 175.510 0.048 0.000 1.182 74 N CA 0.495 53.552 53.050 0.012 0.000 1.019 74 N CB 0.999 39.479 38.487 -0.012 0.000 1.380 74 N HN 0.786 nan 8.380 nan 0.000 0.505 75 A N 3.836 126.758 122.820 0.170 0.000 1.923 75 A HA -0.301 4.020 4.320 0.001 0.000 0.222 75 A C 2.102 179.874 177.584 0.314 0.000 1.258 75 A CA 2.464 54.709 52.037 0.347 0.000 0.670 75 A CB -0.811 18.371 19.000 0.303 0.000 0.834 75 A HN 0.681 nan 8.150 nan 0.000 0.470 76 A N -1.703 121.241 122.820 0.208 0.000 2.014 76 A HA 0.071 4.392 4.320 0.001 0.000 0.218 76 A C 2.187 179.861 177.584 0.151 0.000 1.163 76 A CA 1.596 53.762 52.037 0.214 0.000 0.652 76 A CB -0.466 18.620 19.000 0.142 0.000 0.808 76 A HN 0.657 nan 8.150 nan 0.000 0.449 77 M N -0.331 119.304 119.600 0.058 0.000 2.084 77 M HA -0.171 4.310 4.480 0.001 0.000 0.259 77 M C 1.997 178.259 176.300 -0.064 0.000 1.072 77 M CA 2.266 57.561 55.300 -0.009 0.000 1.107 77 M CB -0.318 32.240 32.600 -0.070 0.000 1.299 77 M HN 0.208 nan 8.290 nan 0.000 0.413 78 V N 0.523 120.290 119.914 -0.245 0.000 2.282 78 V HA -0.330 3.791 4.120 0.001 0.000 0.249 78 V C 2.115 178.019 176.094 -0.316 0.000 1.057 78 V CA 2.298 64.298 62.300 -0.501 0.000 1.032 78 V CB -0.937 30.152 31.823 -1.223 0.000 0.645 78 V HN 0.466 nan 8.190 nan 0.000 0.447 79 F N -0.176 119.694 119.950 -0.133 0.000 2.102 79 F HA -0.137 4.391 4.527 0.002 0.000 0.298 79 F C 2.640 178.110 175.800 -0.551 0.000 1.105 79 F CA 1.628 59.445 58.000 -0.305 0.000 1.239 79 F CB -0.311 38.566 39.000 -0.205 0.000 0.991 79 F HN 0.110 nan 8.300 nan 0.000 0.474 80 E N 0.153 120.339 120.200 -0.023 0.000 2.038 80 E HA -0.263 4.088 4.350 0.001 0.000 0.195 80 E C 2.059 178.689 176.600 0.048 0.000 1.000 80 E CA 1.453 57.900 56.400 0.077 0.000 0.803 80 E CB -1.058 28.732 29.700 0.151 0.000 0.750 80 E HN 0.413 nan 8.360 nan 0.000 0.448 81 F N 1.852 121.744 119.950 -0.096 0.000 2.032 81 F HA -0.291 4.236 4.527 0.001 0.000 0.297 81 F C 2.308 178.054 175.800 -0.091 0.000 1.125 81 F CA 1.798 59.739 58.000 -0.098 0.000 1.202 81 F CB -0.608 38.298 39.000 -0.156 0.000 0.958 81 F HN -0.062 nan 8.300 nan 0.000 0.491 82 L N -0.912 120.247 121.223 -0.107 0.000 2.189 82 L HA -0.295 4.046 4.340 0.001 0.000 0.214 82 L C 2.386 179.186 176.870 -0.118 0.000 1.097 82 L CA 1.203 55.941 54.840 -0.170 0.000 0.764 82 L CB -0.946 41.087 42.059 -0.043 0.000 0.900 82 L HN 0.285 nan 8.230 nan 0.000 0.436 83 Y N -0.156 120.147 120.300 0.004 0.000 2.314 83 Y HA -0.117 4.434 4.550 0.002 0.000 0.293 83 Y C 2.505 178.360 175.900 -0.075 0.000 1.129 83 Y CA 0.530 58.627 58.100 -0.004 0.000 1.201 83 Y CB -0.387 38.094 38.460 0.035 0.000 0.999 83 Y HN 0.055 nan 8.280 nan 0.000 0.541 84 K N -0.188 120.206 120.400 -0.010 0.000 2.211 84 K HA -0.038 4.283 4.320 0.001 0.000 0.201 84 K C 2.141 178.631 176.600 -0.183 0.000 1.052 84 K CA 0.714 56.955 56.287 -0.076 0.000 0.973 84 K CB -0.629 31.831 32.500 -0.067 0.000 0.766 84 K HN 0.395 nan 8.250 nan 0.000 0.466 85 M N 0.717 120.085 119.600 -0.387 0.000 2.089 85 M HA -0.248 4.233 4.480 0.001 0.000 0.257 85 M C 1.804 178.005 176.300 -0.166 0.000 1.071 85 M CA 1.876 56.959 55.300 -0.362 0.000 1.096 85 M CB -0.272 32.000 32.600 -0.547 0.000 1.330 85 M HN 0.095 nan 8.290 nan 0.000 0.403 86 C N 0.673 119.916 119.300 -0.094 0.000 2.456 86 C HA -0.064 4.396 4.460 0.001 0.000 0.279 86 C C 1.846 176.814 174.990 -0.037 0.000 1.427 86 C CA 0.771 59.773 59.018 -0.027 0.000 1.778 86 C CB -1.509 26.262 27.740 0.052 0.000 1.842 86 C HN 0.644 nan 8.230 nan 0.000 0.531 87 D N 0.664 121.042 120.400 -0.036 0.000 2.075 87 D HA -0.104 4.537 4.640 0.001 0.000 0.196 87 D C 2.137 178.408 176.300 -0.049 0.000 0.985 87 D CA 1.173 55.153 54.000 -0.033 0.000 0.834 87 D CB -0.160 40.630 40.800 -0.017 0.000 0.987 87 D HN 0.126 nan 8.370 nan 0.000 0.452 88 V N 0.636 120.521 119.914 -0.049 0.000 2.215 88 V HA -0.364 3.757 4.120 0.001 0.000 0.249 88 V C 2.462 178.527 176.094 -0.049 0.000 1.054 88 V CA 1.936 64.233 62.300 -0.005 0.000 1.012 88 V CB -0.577 31.226 31.823 -0.033 0.000 0.639 88 V HN 0.290 nan 8.190 nan 0.000 0.448 89 M N -0.261 119.222 119.600 -0.195 0.000 2.147 89 M HA -0.345 4.136 4.480 0.001 0.000 0.253 89 M C 2.214 178.091 176.300 -0.706 0.000 1.075 89 M CA 2.705 57.709 55.300 -0.493 0.000 1.085 89 M CB -0.690 31.719 32.600 -0.319 0.000 1.305 89 M HN 0.468 nan 8.290 nan 0.000 0.409 90 A N -0.416 122.191 122.820 -0.356 0.000 2.070 90 A HA 0.044 4.365 4.320 0.001 0.000 0.220 90 A C 2.072 179.555 177.584 -0.168 0.000 1.159 90 A CA 1.641 53.529 52.037 -0.248 0.000 0.656 90 A CB -0.764 18.172 19.000 -0.106 0.000 0.800 90 A HN 0.588 nan 8.150 nan 0.000 0.453 91 A N -2.507 120.250 122.820 -0.105 0.000 2.259 91 A HA 0.345 4.666 4.320 0.001 0.000 0.208 91 A C 1.456 178.967 177.584 -0.121 0.000 1.201 91 A CA 0.538 52.529 52.037 -0.077 0.000 0.824 91 A CB -0.397 18.575 19.000 -0.047 0.000 0.838 91 A HN 0.550 nan 8.150 nan 0.000 0.485 92 Y N -1.869 118.282 120.300 -0.249 0.000 2.609 92 Y HA 0.205 4.755 4.550 0.001 0.000 0.281 92 Y C 1.135 177.040 175.900 0.008 0.000 1.132 92 Y CA 0.546 58.582 58.100 -0.108 0.000 1.264 92 Y CB 0.259 38.689 38.460 -0.050 0.000 1.325 92 Y HN 0.396 nan 8.280 nan 0.000 0.514 93 F N -1.944 118.104 119.950 0.163 0.000 2.817 93 F HA 0.732 5.260 4.527 0.001 0.000 0.319 93 F C 0.882 176.713 175.800 0.053 0.000 1.136 93 F CA -0.548 57.504 58.000 0.086 0.000 1.177 93 F CB 0.013 39.054 39.000 0.069 0.000 1.088 93 F HN 0.094 nan 8.300 nan 0.000 0.520 94 G N 1.809 110.641 108.800 0.052 0.000 2.512 94 G HA2 -0.252 3.709 3.960 0.001 0.000 0.254 94 G HA3 -0.252 3.709 3.960 0.001 0.000 0.254 94 G C 0.008 174.956 174.900 0.080 0.000 1.199 94 G CA -0.176 44.960 45.100 0.059 0.000 0.941 94 G HN 0.498 nan 8.290 nan 0.000 0.569 95 K N -0.345 120.118 120.400 0.105 0.000 2.517 95 K HA 0.037 4.358 4.320 0.001 0.000 0.271 95 K C 0.356 177.058 176.600 0.171 0.000 0.969 95 K CA 0.966 57.318 56.287 0.108 0.000 0.932 95 K CB 0.191 32.752 32.500 0.101 0.000 0.907 95 K HN 0.427 nan 8.250 nan 0.000 0.525 96 I N 1.949 122.606 120.570 0.145 0.000 2.388 96 I HA 0.044 4.215 4.170 0.001 0.000 0.281 96 I C -0.160 176.052 176.117 0.157 0.000 1.046 96 I CA -0.253 61.163 61.300 0.194 0.000 1.187 96 I CB 0.825 38.917 38.000 0.152 0.000 1.351 96 I HN 0.559 nan 8.210 nan 0.000 0.472 97 S N 2.637 118.429 115.700 0.152 0.000 2.569 97 S HA 0.408 4.879 4.470 0.001 0.000 0.280 97 S C 0.648 175.291 174.600 0.072 0.000 1.111 97 S CA -0.847 57.418 58.200 0.109 0.000 0.887 97 S CB 2.399 65.652 63.200 0.088 0.000 1.095 97 S HN 0.558 nan 8.310 nan 0.000 0.476 98 E N 1.139 121.391 120.200 0.085 0.000 2.095 98 E HA -0.329 4.022 4.350 0.001 0.000 0.212 98 E C 1.697 178.271 176.600 -0.043 0.000 1.044 98 E CA 2.198 58.626 56.400 0.046 0.000 0.857 98 E CB -0.242 29.509 29.700 0.086 0.000 0.764 98 E HN 0.885 nan 8.360 nan 0.000 0.462 99 E N 0.438 120.624 120.200 -0.024 0.000 2.048 99 E HA -0.268 4.083 4.350 0.001 0.000 0.202 99 E C 1.801 178.302 176.600 -0.164 0.000 1.021 99 E CA 1.960 58.318 56.400 -0.071 0.000 0.825 99 E CB -0.027 29.658 29.700 -0.025 0.000 0.756 99 E HN 0.171 nan 8.360 nan 0.000 0.454 100 N N 0.405 119.022 118.700 -0.138 0.000 2.188 100 N HA -0.122 4.619 4.740 0.001 0.000 0.184 100 N C 1.765 176.901 175.510 -0.624 0.000 1.018 100 N CA 1.070 53.949 53.050 -0.285 0.000 0.858 100 N CB -0.135 38.342 38.487 -0.017 0.000 0.989 100 N HN 0.250 nan 8.380 nan 0.000 0.426 101 I N 1.239 121.568 120.570 -0.401 0.000 2.163 101 I HA -0.235 3.936 4.170 0.001 0.000 0.243 101 I C 1.878 177.613 176.117 -0.636 0.000 1.085 101 I CA 1.327 62.377 61.300 -0.417 0.000 1.347 101 I CB -0.799 37.126 38.000 -0.125 0.000 1.044 101 I HN 0.198 nan 8.210 nan 0.000 0.408 102 K N 0.725 120.763 120.400 -0.603 0.000 2.063 102 K HA -0.173 4.148 4.320 0.001 0.000 0.208 102 K C 1.718 177.791 176.600 -0.879 0.000 1.048 102 K CA 1.435 57.188 56.287 -0.891 0.000 0.928 102 K CB -0.118 32.128 32.500 -0.422 0.000 0.713 102 K HN 0.325 nan 8.250 nan 0.000 0.442 103 N N 0.672 119.046 118.700 -0.544 0.000 2.459 103 N HA -0.069 4.672 4.740 0.001 0.000 0.181 103 N C 0.351 175.649 175.510 -0.353 0.000 1.046 103 N CA 0.801 53.626 53.050 -0.376 0.000 0.904 103 N CB 0.056 38.386 38.487 -0.263 0.000 0.964 103 N HN 0.241 nan 8.380 nan 0.000 0.444 104 N N -0.017 118.385 118.700 -0.497 0.000 2.338 104 N HA 0.108 4.849 4.740 0.001 0.000 0.251 104 N C 0.187 175.597 175.510 -0.167 0.000 1.199 104 N CA -0.201 52.646 53.050 -0.338 0.000 0.879 104 N CB 0.230 38.349 38.487 -0.614 0.000 1.159 104 N HN -0.027 nan 8.380 nan 0.000 0.514 105 F N 1.383 121.248 119.950 -0.141 0.000 2.087 105 F HA -0.229 4.299 4.527 0.001 0.000 0.299 105 F C 2.403 178.194 175.800 -0.015 0.000 1.100 105 F CA 1.084 59.004 58.000 -0.132 0.000 1.226 105 F CB -0.851 38.145 39.000 -0.007 0.000 0.983 105 F HN -0.087 nan 8.300 nan 0.000 0.479 106 V N -0.493 119.592 119.914 0.285 0.000 2.379 106 V HA -0.217 3.904 4.120 0.001 0.000 0.245 106 V C 2.293 178.501 176.094 0.190 0.000 1.044 106 V CA 1.213 63.679 62.300 0.277 0.000 1.036 106 V CB -0.854 31.084 31.823 0.191 0.000 0.664 106 V HN 0.268 nan 8.190 nan 0.000 0.453 107 L N 0.616 121.911 121.223 0.120 0.000 1.944 107 L HA -0.202 4.138 4.340 0.001 0.000 0.218 107 L C 2.255 179.157 176.870 0.053 0.000 1.075 107 L CA 2.144 57.030 54.840 0.077 0.000 0.767 107 L CB -0.751 41.362 42.059 0.090 0.000 0.890 107 L HN 0.228 nan 8.230 nan 0.000 0.434 108 I N -1.494 119.102 120.570 0.043 0.000 2.181 108 I HA -0.412 3.759 4.170 0.001 0.000 0.247 108 I C 2.307 178.422 176.117 -0.003 0.000 1.081 108 I CA 1.729 63.029 61.300 0.001 0.000 1.340 108 I CB -0.530 37.432 38.000 -0.063 0.000 1.036 108 I HN 0.321 nan 8.210 nan 0.000 0.417 109 Y N 0.483 120.819 120.300 0.061 0.000 2.224 109 Y HA -0.238 4.313 4.550 0.002 0.000 0.289 109 Y C 2.621 178.540 175.900 0.032 0.000 1.146 109 Y CA 1.594 59.713 58.100 0.031 0.000 1.182 109 Y CB -0.468 38.000 38.460 0.012 0.000 0.983 109 Y HN 0.228 nan 8.280 nan 0.000 0.524 110 E N 0.061 120.373 120.200 0.187 0.000 2.047 110 E HA -0.183 4.168 4.350 0.001 0.000 0.191 110 E C 2.125 178.776 176.600 0.085 0.000 0.987 110 E CA 0.964 57.438 56.400 0.123 0.000 0.799 110 E CB -0.280 29.480 29.700 0.100 0.000 0.752 110 E HN 0.379 nan 8.360 nan 0.000 0.449 111 L N 0.381 121.623 121.223 0.032 0.000 1.990 111 L HA -0.271 4.070 4.340 0.001 0.000 0.213 111 L C 2.467 179.373 176.870 0.060 0.000 1.072 111 L CA 0.881 55.720 54.840 -0.000 0.000 0.755 111 L CB -0.455 41.550 42.059 -0.089 0.000 0.889 111 L HN 0.224 nan 8.230 nan 0.000 0.432 112 L N -0.242 121.040 121.223 0.098 0.000 1.997 112 L HA -0.311 4.030 4.340 0.001 0.000 0.216 112 L C 2.065 179.052 176.870 0.194 0.000 1.074 112 L CA 1.895 56.839 54.840 0.173 0.000 0.763 112 L CB -0.979 41.198 42.059 0.197 0.000 0.890 112 L HN 0.263 nan 8.230 nan 0.000 0.434 113 D N -1.414 119.088 120.400 0.171 0.000 2.351 113 D HA -0.147 4.494 4.640 0.001 0.000 0.216 113 D C 2.101 178.457 176.300 0.093 0.000 0.968 113 D CA 0.607 54.697 54.000 0.150 0.000 0.899 113 D CB 0.112 40.979 40.800 0.112 0.000 0.907 113 D HN 0.312 nan 8.370 nan 0.000 0.514 114 E N -0.277 119.964 120.200 0.067 0.000 2.256 114 E HA 0.199 4.550 4.350 0.001 0.000 0.198 114 E C 1.714 178.309 176.600 -0.008 0.000 0.908 114 E CA -0.083 56.317 56.400 0.001 0.000 0.915 114 E CB 0.060 29.763 29.700 0.005 0.000 0.890 114 E HN 0.162 nan 8.360 nan 0.000 0.484 115 I N -0.061 120.537 120.570 0.048 0.000 3.111 115 I HA 0.043 4.214 4.170 0.001 0.000 0.272 115 I C -0.205 176.001 176.117 0.147 0.000 1.268 115 I CA 0.522 61.876 61.300 0.089 0.000 1.467 115 I CB 0.584 38.642 38.000 0.097 0.000 1.087 115 I HN -0.011 nan 8.210 nan 0.000 0.467 116 L N 0.704 121.963 121.223 0.060 0.000 2.491 116 L HA 0.314 4.655 4.340 0.001 0.000 0.260 116 L C -1.166 175.589 176.870 -0.193 0.000 1.200 116 L CA -0.403 54.371 54.840 -0.109 0.000 0.882 116 L CB 0.721 42.668 42.059 -0.186 0.000 1.058 116 L HN -0.145 nan 8.230 nan 0.000 0.487 117 D N 1.874 122.227 120.400 -0.078 0.000 2.264 117 D HA 0.255 4.896 4.640 0.001 0.000 0.250 117 D C 0.910 177.228 176.300 0.029 0.000 1.113 117 D CA 0.282 54.298 54.000 0.026 0.000 0.871 117 D CB 0.691 41.546 40.800 0.092 0.000 1.167 117 D HN 0.357 nan 8.370 nan 0.000 0.447 118 F N 3.013 122.864 119.950 -0.165 0.000 2.993 118 F HA -0.342 4.186 4.527 0.002 0.000 0.323 118 F C 1.297 176.716 175.800 -0.634 0.000 0.708 118 F CA 2.411 60.271 58.000 -0.233 0.000 1.007 118 F CB -1.094 37.867 39.000 -0.064 0.000 1.432 118 F HN 0.673 nan 8.300 nan 0.000 0.336 119 G N -1.914 106.352 108.800 -0.891 0.000 2.227 119 G HA2 -0.196 3.765 3.960 0.001 0.000 0.168 119 G HA3 -0.196 3.765 3.960 0.001 0.000 0.168 119 G C -0.196 174.188 174.900 -0.859 0.000 1.006 119 G CA -0.249 44.246 45.100 -1.009 0.000 0.684 119 G HN 0.592 nan 8.290 nan 0.000 0.489 120 Y N 0.662 120.749 120.300 -0.355 0.000 2.417 120 Y HA 0.504 5.055 4.550 0.001 0.000 0.336 120 Y C -2.071 173.686 175.900 -0.238 0.000 0.961 120 Y CA -2.748 55.197 58.100 -0.259 0.000 1.215 120 Y CB 1.530 39.907 38.460 -0.138 0.000 1.120 120 Y HN -0.104 nan 8.280 nan 0.000 0.499 121 P HA -0.142 nan 4.420 nan 0.000 0.191 121 P C -0.218 177.111 177.300 0.049 0.000 0.942 121 P CA 0.796 63.881 63.100 -0.025 0.000 1.312 121 P CB -0.059 31.652 31.700 0.018 0.000 1.452 122 Q N 1.388 121.211 119.800 0.039 0.000 2.414 122 Q HA 0.138 4.479 4.340 0.001 0.000 0.206 122 Q C 0.680 176.683 176.000 0.004 0.000 1.058 122 Q CA -0.715 55.094 55.803 0.009 0.000 1.025 122 Q CB 0.403 29.131 28.738 -0.017 0.000 1.196 122 Q HN 0.223 nan 8.270 nan 0.000 0.586 123 N N -0.050 118.624 118.700 -0.044 0.000 2.454 123 N HA -0.036 4.705 4.740 0.001 0.000 0.254 123 N C -0.999 174.488 175.510 -0.038 0.000 1.228 123 N CA 0.562 53.588 53.050 -0.040 0.000 0.900 123 N CB 0.405 38.851 38.487 -0.068 0.000 1.089 123 N HN 0.572 nan 8.380 nan 0.000 0.449 124 S N -0.157 115.547 115.700 0.006 0.000 2.586 124 S HA 0.158 4.629 4.470 0.001 0.000 0.218 124 S C -0.648 173.973 174.600 0.035 0.000 0.761 124 S CA -0.777 57.435 58.200 0.020 0.000 0.999 124 S CB -0.695 62.513 63.200 0.013 0.000 1.634 124 S HN 0.520 nan 8.310 nan 0.000 0.482 125 E N 1.259 121.491 120.200 0.053 0.000 2.266 125 E HA 0.573 4.924 4.350 0.001 0.000 0.277 125 E C 1.010 177.658 176.600 0.081 0.000 1.018 125 E CA -0.201 56.232 56.400 0.055 0.000 0.840 125 E CB 1.023 30.750 29.700 0.046 0.000 1.082 125 E HN 0.229 nan 8.360 nan 0.000 0.395 126 T N 1.878 116.473 114.554 0.067 0.000 2.564 126 T HA -0.263 4.088 4.350 0.001 0.000 0.264 126 T C 1.581 176.328 174.700 0.077 0.000 1.100 126 T CA 1.852 63.998 62.100 0.078 0.000 1.171 126 T CB -0.456 68.427 68.868 0.026 0.000 0.863 126 T HN 0.739 nan 8.240 nan 0.000 0.430 127 G N 0.398 109.227 108.800 0.049 0.000 2.430 127 G HA2 0.139 4.100 3.960 0.001 0.000 0.216 127 G HA3 0.139 4.100 3.960 0.001 0.000 0.216 127 G C 1.782 176.726 174.900 0.074 0.000 1.146 127 G CA 0.770 45.893 45.100 0.039 0.000 0.793 127 G HN 0.621 nan 8.290 nan 0.000 0.537 128 A N 0.258 123.141 122.820 0.106 0.000 2.076 128 A HA 0.147 4.468 4.320 0.001 0.000 0.220 128 A C 2.270 180.042 177.584 0.312 0.000 1.160 128 A CA 0.881 53.020 52.037 0.170 0.000 0.653 128 A CB -0.233 18.858 19.000 0.152 0.000 0.801 128 A HN 0.383 nan 8.150 nan 0.000 0.455 129 L N -1.453 119.934 121.223 0.274 0.000 2.249 129 L HA -0.061 4.280 4.340 0.001 0.000 0.207 129 L C 2.289 179.360 176.870 0.335 0.000 1.090 129 L CA 0.584 55.664 54.840 0.400 0.000 0.802 129 L CB -0.293 41.938 42.059 0.287 0.000 0.947 129 L HN 0.370 nan 8.230 nan 0.000 0.453 130 K N -0.124 120.374 120.400 0.163 0.000 2.023 130 K HA -0.315 4.006 4.320 0.001 0.000 0.227 130 K C 1.817 178.390 176.600 -0.046 0.000 1.054 130 K CA 2.527 58.853 56.287 0.065 0.000 0.977 130 K CB -0.713 31.786 32.500 -0.001 0.000 0.733 130 K HN 0.236 nan 8.250 nan 0.000 0.451 131 T N 0.514 114.904 114.554 -0.273 0.000 2.755 131 T HA -0.200 4.151 4.350 0.001 0.000 0.266 131 T C 1.409 175.738 174.700 -0.619 0.000 1.041 131 T CA 2.036 63.776 62.100 -0.601 0.000 1.147 131 T CB -0.276 67.961 68.868 -1.051 0.000 0.847 131 T HN 0.233 nan 8.240 nan 0.000 0.478 132 F N -0.952 119.032 119.950 0.057 0.000 2.724 132 F HA 0.468 4.996 4.527 0.001 0.000 0.306 132 F C 0.679 176.518 175.800 0.065 0.000 1.100 132 F CA -0.809 57.224 58.000 0.054 0.000 1.255 132 F CB 0.266 39.297 39.000 0.050 0.000 1.072 132 F HN 0.020 nan 8.300 nan 0.000 0.589 133 I N 1.517 122.239 120.570 0.253 0.000 2.359 133 I HA 0.147 4.318 4.170 0.001 0.000 0.284 133 I C 0.585 176.801 176.117 0.164 0.000 1.018 133 I CA -0.122 61.298 61.300 0.201 0.000 1.173 133 I CB 1.493 39.627 38.000 0.224 0.000 1.326 133 I HN 0.037 nan 8.210 nan 0.000 0.462 134 T N 3.284 117.916 114.554 0.129 0.000 3.088 134 T HA 0.057 4.408 4.350 0.001 0.000 0.259 134 T C 0.823 175.595 174.700 0.120 0.000 1.122 134 T CA 0.318 62.481 62.100 0.104 0.000 1.095 134 T CB -0.139 68.777 68.868 0.079 0.000 0.930 134 T HN 0.437 nan 8.240 nan 0.000 0.508 135 Q N 1.390 121.282 119.800 0.152 0.000 2.193 135 Q HA 0.449 4.789 4.340 0.001 0.000 0.246 135 Q C -0.261 175.880 176.000 0.234 0.000 0.959 135 Q CA -0.242 55.656 55.803 0.159 0.000 0.904 135 Q CB 1.121 29.942 28.738 0.139 0.000 1.238 135 Q HN 0.438 nan 8.270 nan 0.000 0.469 136 Q N -0.022 119.900 119.800 0.203 0.000 2.333 136 Q HA 0.537 4.878 4.340 0.001 0.000 0.267 136 Q C -0.086 176.070 176.000 0.261 0.000 1.012 136 Q CA -0.708 55.231 55.803 0.228 0.000 0.824 136 Q CB 1.914 30.726 28.738 0.123 0.000 1.290 136 Q HN 0.761 nan 8.270 nan 0.000 0.449 137 G N 2.100 111.136 108.800 0.393 0.000 2.491 137 G HA2 0.318 4.279 3.960 0.001 0.000 0.238 137 G HA3 0.318 4.279 3.960 0.001 0.000 0.238 137 G C -0.266 174.776 174.900 0.236 0.000 1.277 137 G CA -0.366 44.981 45.100 0.412 0.000 0.851 137 G HN 0.547 nan 8.290 nan 0.000 0.573 138 I N 1.349 122.020 120.570 0.168 0.000 2.307 138 I HA 0.230 4.401 4.170 0.001 0.000 0.289 138 I C 0.598 176.779 176.117 0.107 0.000 1.021 138 I CA -0.437 60.917 61.300 0.091 0.000 1.224 138 I CB 1.427 39.440 38.000 0.022 0.000 1.376 138 I HN 0.378 nan 8.210 nan 0.000 0.470 139 K N 3.976 124.437 120.400 0.102 0.000 2.102 139 K HA 0.576 4.897 4.320 0.001 0.000 0.244 139 K C -0.388 176.251 176.600 0.064 0.000 1.021 139 K CA -0.268 56.080 56.287 0.101 0.000 0.913 139 K CB 0.922 33.468 32.500 0.076 0.000 1.062 139 K HN 0.682 nan 8.250 nan 0.000 0.485 140 S N 0.955 116.692 115.700 0.062 0.000 2.481 140 S HA 0.169 4.640 4.470 0.001 0.000 0.262 140 S C -1.151 173.473 174.600 0.041 0.000 1.061 140 S CA -1.037 57.187 58.200 0.041 0.000 1.039 140 S CB 0.957 64.175 63.200 0.030 0.000 1.170 140 S HN 0.656 nan 8.310 nan 0.000 0.437 160 G N 0.690 109.192 108.800 -0.496 0.000 2.176 160 G HA2 -0.279 3.682 3.960 0.001 0.000 0.253 160 G HA3 -0.279 3.682 3.960 0.001 0.000 0.253 160 G C 0.143 175.050 174.900 0.012 0.000 0.979 160 G CA 0.777 45.780 45.100 -0.162 0.000 0.641 160 G HN 0.821 nan 8.290 nan 0.000 0.530 161 W N -0.892 120.417 121.300 0.014 0.000 2.714 161 W HA 0.661 5.322 4.660 0.001 0.000 0.353 161 W C 0.579 177.092 176.519 -0.009 0.000 0.999 161 W CA -0.294 57.058 57.345 0.012 0.000 1.629 161 W CB 0.523 30.007 29.460 0.039 0.000 1.106 161 W HN 0.273 nan 8.180 nan 0.000 0.545 162 R N 2.412 122.773 120.500 -0.230 0.000 2.718 162 R HA 0.257 4.598 4.340 0.001 0.000 0.266 162 R C 0.300 176.532 176.300 -0.114 0.000 1.776 162 R CA -0.542 55.496 56.100 -0.103 0.000 1.567 162 R CB 0.313 30.560 30.300 -0.087 0.000 1.336 162 R HN -0.020 nan 8.270 nan 0.000 0.619 163 R N 0.896 121.360 120.500 -0.061 0.000 2.686 163 R HA -0.210 4.131 4.340 0.001 0.000 0.279 163 R C -0.016 176.257 176.300 -0.046 0.000 0.972 163 R CA 1.053 57.123 56.100 -0.050 0.000 1.103 163 R CB 0.251 30.540 30.300 -0.018 0.000 0.959 163 R HN 0.462 nan 8.270 nan 0.000 0.441 164 E N -1.133 119.042 120.200 -0.042 0.000 2.202 164 E HA 0.365 4.715 4.350 0.001 0.000 0.272 164 E C -0.041 176.544 176.600 -0.025 0.000 0.951 164 E CA 0.411 56.789 56.400 -0.036 0.000 0.813 164 E CB 1.633 31.308 29.700 -0.043 0.000 1.151 164 E HN 0.641 nan 8.360 nan 0.000 0.398 165 G N 3.363 112.152 108.800 -0.018 0.000 2.165 165 G HA2 -0.222 3.739 3.960 0.001 0.000 0.226 165 G HA3 -0.222 3.739 3.960 0.001 0.000 0.226 165 G C -0.150 174.730 174.900 -0.033 0.000 1.035 165 G CA 0.001 45.089 45.100 -0.021 0.000 0.744 165 G HN 0.440 nan 8.290 nan 0.000 0.501 166 I N 0.603 121.164 120.570 -0.016 0.000 2.416 166 I HA 0.376 4.546 4.170 0.001 0.000 0.288 166 I C 0.620 176.693 176.117 -0.074 0.000 1.051 166 I CA -0.041 61.227 61.300 -0.053 0.000 1.375 166 I CB 1.276 39.306 38.000 0.051 0.000 1.407 166 I HN 0.055 nan 8.210 nan 0.000 0.516 167 K N 6.401 126.668 120.400 -0.223 0.000 2.316 167 K HA 0.558 4.878 4.320 0.001 0.000 0.251 167 K C -1.882 174.484 176.600 -0.390 0.000 0.934 167 K CA -0.699 55.484 56.287 -0.173 0.000 0.802 167 K CB 1.791 34.225 32.500 -0.111 0.000 1.171 167 K HN 0.390 nan 8.250 nan 0.000 0.426 168 Y N 1.550 121.834 120.300 -0.026 0.000 2.470 168 Y HA 0.304 4.854 4.550 0.001 0.000 0.341 168 Y C 1.068 176.942 175.900 -0.043 0.000 1.021 168 Y CA -0.958 57.129 58.100 -0.023 0.000 1.025 168 Y CB 1.871 40.332 38.460 0.002 0.000 1.266 168 Y HN 0.555 nan 8.280 nan 0.000 0.448 169 R N 1.033 121.600 120.500 0.113 0.000 2.133 169 R HA -0.150 4.191 4.340 0.001 0.000 0.247 169 R C 0.500 176.832 176.300 0.055 0.000 1.151 169 R CA 1.357 57.494 56.100 0.062 0.000 0.971 169 R CB 0.100 30.430 30.300 0.051 0.000 0.866 169 R HN 0.550 nan 8.270 nan 0.000 0.447 170 R N 1.584 122.135 120.500 0.086 0.000 2.435 170 R HA 0.154 4.495 4.340 0.001 0.000 0.308 170 R C -1.300 175.006 176.300 0.011 0.000 0.975 170 R CA -0.369 55.755 56.100 0.041 0.000 0.867 170 R CB 0.800 31.133 30.300 0.056 0.000 1.171 170 R HN -0.012 nan 8.270 nan 0.000 0.470 171 N N 3.829 122.487 118.700 -0.069 0.000 2.401 171 N HA 0.098 4.839 4.740 0.001 0.000 0.255 171 N C -0.952 174.522 175.510 -0.061 0.000 1.110 171 N CA 0.137 53.109 53.050 -0.131 0.000 0.949 171 N CB 1.574 39.865 38.487 -0.326 0.000 1.110 171 N HN 0.595 nan 8.380 nan 0.000 0.490 172 E N 1.274 121.451 120.200 -0.039 0.000 2.277 172 E HA 0.568 4.918 4.350 0.001 0.000 0.266 172 E C -0.964 175.593 176.600 -0.072 0.000 0.901 172 E CA -0.927 55.454 56.400 -0.032 0.000 0.782 172 E CB 1.974 31.731 29.700 0.096 0.000 1.228 172 E HN 0.369 nan 8.360 nan 0.000 0.424 173 L N -0.800 120.314 121.223 -0.183 0.000 2.472 173 L HA 0.643 4.983 4.340 0.001 0.000 0.260 173 L C -1.684 174.997 176.870 -0.316 0.000 0.963 173 L CA -0.652 54.103 54.840 -0.141 0.000 0.829 173 L CB 0.970 43.022 42.059 -0.011 0.000 1.348 173 L HN 0.297 nan 8.230 nan 0.000 0.408 174 F N 2.992 122.938 119.950 -0.006 0.000 2.507 174 F HA 0.784 5.311 4.527 0.001 0.000 0.325 174 F C -0.431 175.323 175.800 -0.077 0.000 1.116 174 F CA -0.765 57.224 58.000 -0.018 0.000 0.930 174 F CB 1.951 40.864 39.000 -0.145 0.000 1.146 174 F HN 0.372 nan 8.300 nan 0.000 0.447 175 L N 2.876 124.156 121.223 0.095 0.000 2.341 175 L HA 0.544 4.885 4.340 0.001 0.000 0.278 175 L C -1.247 175.585 176.870 -0.062 0.000 1.005 175 L CA -0.654 54.163 54.840 -0.037 0.000 0.818 175 L CB 1.893 43.916 42.059 -0.059 0.000 1.259 175 L HN 0.498 nan 8.230 nan 0.000 0.418 176 D N 1.977 122.306 120.400 -0.118 0.000 2.440 176 D HA 0.320 4.961 4.640 0.001 0.000 0.239 176 D C -0.695 175.518 176.300 -0.146 0.000 1.084 176 D CA -0.145 53.778 54.000 -0.128 0.000 0.843 176 D CB 2.342 43.076 40.800 -0.110 0.000 1.097 176 D HN 0.024 nan 8.370 nan 0.000 0.531 177 V N 4.370 124.170 119.914 -0.190 0.000 2.372 177 V HA 0.230 4.351 4.120 0.001 0.000 0.261 177 V C -0.051 176.035 176.094 -0.014 0.000 1.055 177 V CA -0.381 61.866 62.300 -0.088 0.000 0.930 177 V CB 0.138 31.870 31.823 -0.152 0.000 1.031 177 V HN 0.422 nan 8.190 nan 0.000 0.479 178 L N 5.992 127.205 121.223 -0.017 0.000 2.276 178 L HA 0.592 4.933 4.340 0.001 0.000 0.286 178 L C 0.135 176.977 176.870 -0.046 0.000 1.024 178 L CA -0.145 54.671 54.840 -0.040 0.000 0.826 178 L CB 1.079 43.093 42.059 -0.075 0.000 1.211 178 L HN 0.573 nan 8.230 nan 0.000 0.422 179 E N 1.846 122.025 120.200 -0.036 0.000 2.238 179 E HA 0.441 4.792 4.350 0.001 0.000 0.267 179 E C -1.155 175.396 176.600 -0.082 0.000 0.887 179 E CA -0.611 55.756 56.400 -0.054 0.000 0.769 179 E CB 2.775 32.488 29.700 0.022 0.000 1.187 179 E HN 0.333 nan 8.360 nan 0.000 0.416 180 S N 1.507 117.147 115.700 -0.100 0.000 2.449 180 S HA 0.343 4.814 4.470 0.001 0.000 0.310 180 S C -1.030 173.510 174.600 -0.099 0.000 1.096 180 S CA -0.568 57.564 58.200 -0.113 0.000 1.095 180 S CB 1.309 64.439 63.200 -0.117 0.000 1.007 180 S HN 0.294 nan 8.310 nan 0.000 0.474 181 V N 6.625 126.499 119.914 -0.067 0.000 2.398 181 V HA 0.573 4.694 4.120 0.001 0.000 0.286 181 V C -0.854 175.250 176.094 0.016 0.000 1.026 181 V CA -0.612 61.697 62.300 0.015 0.000 0.868 181 V CB 1.371 33.309 31.823 0.191 0.000 0.982 181 V HN 0.891 nan 8.190 nan 0.000 0.443 182 N N 5.603 124.200 118.700 -0.172 0.000 2.314 182 N HA 0.659 5.400 4.740 0.001 0.000 0.304 182 N C -1.506 173.901 175.510 -0.172 0.000 1.073 182 N CA -0.441 52.481 53.050 -0.214 0.000 0.822 182 N CB 2.564 40.706 38.487 -0.574 0.000 1.280 182 N HN 0.571 nan 8.380 nan 0.000 0.489 183 L N 1.848 122.951 121.223 -0.201 0.000 2.493 183 L HA 0.539 4.880 4.340 0.001 0.000 0.265 183 L C -2.045 174.698 176.870 -0.211 0.000 0.954 183 L CA -0.723 53.936 54.840 -0.302 0.000 0.844 183 L CB 1.916 43.534 42.059 -0.736 0.000 1.302 183 L HN 0.406 nan 8.230 nan 0.000 0.405 184 L N 5.494 126.638 121.223 -0.131 0.000 2.356 184 L HA 0.845 5.186 4.340 0.001 0.000 0.277 184 L C -0.989 175.829 176.870 -0.087 0.000 0.996 184 L CA -0.257 54.529 54.840 -0.091 0.000 0.822 184 L CB 1.626 43.658 42.059 -0.046 0.000 1.256 184 L HN 0.887 nan 8.230 nan 0.000 0.413 185 M N 3.715 123.268 119.600 -0.078 0.000 2.446 185 M HA 0.645 5.125 4.480 0.001 0.000 0.294 185 M C -0.584 175.695 176.300 -0.035 0.000 1.158 185 M CA -0.302 54.963 55.300 -0.059 0.000 0.899 185 M CB 2.220 34.778 32.600 -0.070 0.000 1.687 185 M HN 0.751 nan 8.290 nan 0.000 0.455 186 S N 3.065 118.750 115.700 -0.026 0.000 2.624 186 S HA 0.517 4.988 4.470 0.001 0.000 0.263 186 S C -2.279 172.316 174.600 -0.008 0.000 1.287 186 S CA -0.861 57.327 58.200 -0.019 0.000 0.990 186 S CB 0.361 63.550 63.200 -0.018 0.000 0.950 186 S HN 0.668 nan 8.310 nan 0.000 0.561 187 P HA -0.025 nan 4.420 nan 0.000 0.222 187 P C 0.697 178.002 177.300 0.008 0.000 1.147 187 P CA 1.044 64.147 63.100 0.005 0.000 0.790 187 P CB -0.051 31.649 31.700 0.001 0.000 0.780 188 Q N -1.432 118.369 119.800 0.002 0.000 2.403 188 Q HA 0.309 4.650 4.340 0.001 0.000 0.203 188 Q C 1.313 177.314 176.000 0.003 0.000 0.932 188 Q CA 0.703 56.507 55.803 0.002 0.000 0.945 188 Q CB -0.805 27.932 28.738 -0.003 0.000 1.045 188 Q HN 0.170 nan 8.270 nan 0.000 0.511 189 G N 0.615 109.417 108.800 0.004 0.000 2.147 189 G HA2 -0.360 3.601 3.960 0.001 0.000 0.244 189 G HA3 -0.360 3.601 3.960 0.001 0.000 0.244 189 G C -0.117 174.777 174.900 -0.009 0.000 1.005 189 G CA 0.163 45.264 45.100 0.002 0.000 0.713 189 G HN 0.387 nan 8.290 nan 0.000 0.515 190 Q N 0.393 120.185 119.800 -0.014 0.000 2.307 190 Q HA 0.452 4.793 4.340 0.001 0.000 0.259 190 Q C 0.644 176.627 176.000 -0.028 0.000 0.998 190 Q CA -0.575 55.216 55.803 -0.020 0.000 0.923 190 Q CB 0.815 29.541 28.738 -0.019 0.000 1.196 190 Q HN 0.221 nan 8.270 nan 0.000 0.416 191 V N 7.417 127.312 119.914 -0.032 0.000 2.420 191 V HA -0.127 3.994 4.120 0.001 0.000 0.274 191 V C 1.334 177.408 176.094 -0.034 0.000 1.003 191 V CA 0.661 62.937 62.300 -0.040 0.000 1.092 191 V CB -0.168 31.633 31.823 -0.038 0.000 1.002 191 V HN 0.908 nan 8.190 nan 0.000 0.473 192 L N 3.813 125.015 121.223 -0.035 0.000 2.127 192 L HA 0.095 4.436 4.340 0.001 0.000 0.203 192 L C 1.035 177.894 176.870 -0.018 0.000 1.080 192 L CA 1.097 55.921 54.840 -0.026 0.000 0.768 192 L CB 0.090 42.133 42.059 -0.027 0.000 0.924 192 L HN 0.847 nan 8.230 nan 0.000 0.444 193 S N -1.454 114.235 115.700 -0.018 0.000 2.547 193 S HA 0.803 5.274 4.470 0.001 0.000 0.270 193 S C -0.996 173.604 174.600 0.000 0.000 1.150 193 S CA -0.365 57.838 58.200 0.004 0.000 0.850 193 S CB 2.460 65.673 63.200 0.022 0.000 1.118 193 S HN 0.123 nan 8.310 nan 0.000 0.461 194 A N 1.975 124.816 122.820 0.035 0.000 2.566 194 A HA 0.878 5.199 4.320 0.001 0.000 0.297 194 A C -1.035 176.619 177.584 0.116 0.000 1.059 194 A CA -0.681 51.369 52.037 0.022 0.000 0.691 194 A CB 1.307 20.300 19.000 -0.011 0.000 1.282 194 A HN 1.770 nan 8.150 nan 0.000 0.401 195 H N -0.458 118.620 119.070 0.013 0.000 3.046 195 H HA 0.742 5.299 4.556 0.001 0.000 0.361 195 H C -2.193 173.154 175.328 0.033 0.000 1.235 195 H CA -0.802 55.260 56.048 0.022 0.000 1.146 195 H CB 1.055 30.821 29.762 0.007 0.000 1.859 195 H HN 0.529 nan 8.280 nan 0.000 0.548 196 V N 1.529 121.493 119.914 0.083 0.000 2.581 196 V HA 0.383 4.504 4.120 0.001 0.000 0.303 196 V C 0.037 176.167 176.094 0.060 0.000 1.041 196 V CA -0.569 61.745 62.300 0.023 0.000 0.907 196 V CB 1.808 33.675 31.823 0.073 0.000 0.994 196 V HN 0.856 nan 8.190 nan 0.000 0.442 197 S N 1.947 117.619 115.700 -0.048 0.000 2.519 197 S HA 0.847 5.318 4.470 0.001 0.000 0.309 197 S C 0.106 174.500 174.600 -0.343 0.000 1.100 197 S CA -0.257 57.847 58.200 -0.160 0.000 1.059 197 S CB 1.565 64.721 63.200 -0.073 0.000 1.008 197 S HN 1.124 nan 8.310 nan 0.000 0.478 198 G N 2.026 110.364 108.800 -0.770 0.000 2.766 198 G HA2 0.852 4.813 3.960 0.001 0.000 0.288 198 G HA3 0.852 4.813 3.960 0.001 0.000 0.288 198 G C -1.640 172.806 174.900 -0.756 0.000 1.408 198 G CA -0.989 43.598 45.100 -0.854 0.000 0.852 198 G HN 0.742 nan 8.290 nan 0.000 0.487 199 R N -1.701 118.652 120.500 -0.246 0.000 2.664 199 R HA 0.592 4.933 4.340 0.001 0.000 0.266 199 R C -2.061 174.269 176.300 0.050 0.000 1.046 199 R CA -0.880 55.202 56.100 -0.029 0.000 0.885 199 R CB 1.650 31.880 30.300 -0.116 0.000 1.254 199 R HN 0.384 nan 8.270 nan 0.000 0.465 200 V N 2.258 122.174 119.914 0.003 0.000 2.328 200 V HA 0.292 4.413 4.120 0.001 0.000 0.278 200 V C -0.093 175.846 176.094 -0.257 0.000 1.021 200 V CA -0.755 61.480 62.300 -0.109 0.000 0.838 200 V CB 1.448 33.198 31.823 -0.123 0.000 0.999 200 V HN 0.521 nan 8.190 nan 0.000 0.447 201 V N 6.280 126.046 119.914 -0.246 0.000 2.465 201 V HA 0.448 4.569 4.120 0.001 0.000 0.279 201 V C 0.093 175.960 176.094 -0.380 0.000 1.045 201 V CA -0.268 61.839 62.300 -0.323 0.000 0.938 201 V CB 1.535 33.224 31.823 -0.222 0.000 0.986 201 V HN 0.867 nan 8.190 nan 0.000 0.467 202 M N 5.124 124.368 119.600 -0.594 0.000 2.311 202 M HA 0.525 5.006 4.480 0.001 0.000 0.325 202 M C -0.753 175.370 176.300 -0.295 0.000 1.061 202 M CA -0.679 54.335 55.300 -0.477 0.000 0.957 202 M CB 1.461 33.672 32.600 -0.648 0.000 1.646 202 M HN 0.678 nan 8.290 nan 0.000 0.434 203 K N 3.493 123.819 120.400 -0.123 0.000 2.483 203 K HA 0.501 4.822 4.320 0.001 0.000 0.256 203 K C -1.576 174.940 176.600 -0.140 0.000 0.961 203 K CA -0.365 55.837 56.287 -0.141 0.000 0.873 203 K CB 1.239 33.627 32.500 -0.187 0.000 1.107 203 K HN 0.700 nan 8.250 nan 0.000 0.432 204 S N 3.212 118.699 115.700 -0.355 0.000 2.557 204 S HA 0.445 4.916 4.470 0.001 0.000 0.291 204 S C -1.211 172.955 174.600 -0.724 0.000 1.116 204 S CA -0.760 57.243 58.200 -0.328 0.000 0.992 204 S CB 0.506 63.685 63.200 -0.036 0.000 1.028 204 S HN 0.499 nan 8.310 nan 0.000 0.484 205 Y N 2.934 123.142 120.300 -0.153 0.000 2.464 205 Y HA 0.604 5.155 4.550 0.002 0.000 0.326 205 Y C -0.327 175.273 175.900 -0.500 0.000 0.969 205 Y CA -0.846 56.866 58.100 -0.647 0.000 1.270 205 Y CB 0.962 38.840 38.460 -0.969 0.000 1.103 205 Y HN 0.505 nan 8.280 nan 0.000 0.491 206 L N 2.467 123.631 121.223 -0.098 0.000 2.438 206 L HA 0.463 4.804 4.340 0.001 0.000 0.270 206 L C -0.322 176.695 176.870 0.244 0.000 0.972 206 L CA -0.763 54.112 54.840 0.059 0.000 0.831 206 L CB 2.307 44.442 42.059 0.126 0.000 1.273 206 L HN 0.477 nan 8.230 nan 0.000 0.405 207 S N 1.391 117.144 115.700 0.088 0.000 2.576 207 S HA 0.659 5.130 4.470 0.001 0.000 0.276 207 S C 0.623 175.394 174.600 0.284 0.000 1.339 207 S CA 0.601 58.905 58.200 0.172 0.000 1.039 207 S CB 1.394 64.614 63.200 0.034 0.000 0.902 207 S HN 1.035 nan 8.310 nan 0.000 0.516 208 G N 2.091 111.004 108.800 0.188 0.000 2.503 208 G HA2 -0.157 3.804 3.960 0.001 0.000 0.235 208 G HA3 -0.157 3.804 3.960 0.001 0.000 0.235 208 G C -0.568 174.383 174.900 0.085 0.000 1.179 208 G CA -0.178 45.002 45.100 0.135 0.000 0.944 208 G HN 0.575 nan 8.290 nan 0.000 0.580 209 M N 2.309 121.933 119.600 0.040 0.000 3.053 209 M HA 0.289 4.770 4.480 0.001 0.000 0.293 209 M C -2.792 173.502 176.300 -0.009 0.000 1.470 209 M CA -1.152 54.154 55.300 0.011 0.000 0.582 209 M CB 1.220 33.800 32.600 -0.033 0.000 1.435 209 M HN 0.359 nan 8.290 nan 0.000 0.451 210 P HA 0.232 nan 4.420 nan 0.000 0.276 210 P C -0.507 176.795 177.300 0.003 0.000 1.235 210 P CA 0.111 63.204 63.100 -0.012 0.000 0.772 210 P CB 0.886 32.649 31.700 0.106 0.000 0.871 211 E N 2.365 122.563 120.200 -0.003 0.000 2.259 211 E HA 0.294 4.645 4.350 0.001 0.000 0.281 211 E C -0.931 175.644 176.600 -0.041 0.000 1.027 211 E CA -0.449 55.960 56.400 0.014 0.000 0.838 211 E CB 0.362 30.115 29.700 0.088 0.000 1.066 211 E HN 0.413 nan 8.360 nan 0.000 0.401 212 C N 4.092 123.228 119.300 -0.273 0.000 2.391 212 C HA 0.521 4.981 4.460 0.001 0.000 0.339 212 C C -0.303 174.466 174.990 -0.368 0.000 1.205 212 C CA -0.620 58.158 59.018 -0.400 0.000 1.937 212 C CB 0.727 27.944 27.740 -0.873 0.000 2.341 212 C HN 0.748 nan 8.230 nan 0.000 0.516 213 K N 1.791 122.144 120.400 -0.079 0.000 2.502 213 K HA 0.583 4.904 4.320 0.001 0.000 0.254 213 K C -1.559 175.242 176.600 0.335 0.000 0.947 213 K CA -0.254 56.104 56.287 0.119 0.000 0.834 213 K CB 0.832 33.423 32.500 0.152 0.000 1.112 213 K HN 0.572 nan 8.250 nan 0.000 0.427 214 F N 2.517 122.543 119.950 0.127 0.000 2.482 214 F HA 0.713 5.241 4.527 0.001 0.000 0.331 214 F C -0.310 175.273 175.800 -0.362 0.000 1.115 214 F CA -0.668 57.333 58.000 0.002 0.000 0.955 214 F CB 1.901 41.063 39.000 0.269 0.000 1.136 214 F HN 0.520 nan 8.300 nan 0.000 0.452 215 G N 6.889 114.756 108.800 -1.554 0.000 2.591 215 G HA2 0.659 4.620 3.960 0.001 0.000 0.306 215 G HA3 0.659 4.620 3.960 0.001 0.000 0.306 215 G C -1.503 172.682 174.900 -1.191 0.000 1.334 215 G CA -0.992 43.148 45.100 -1.600 0.000 0.981 215 G HN 0.859 nan 8.290 nan 0.000 0.491 216 M N 0.383 119.548 119.600 -0.725 0.000 2.779 216 M HA 0.595 5.076 4.480 0.001 0.000 0.277 216 M C -0.444 175.735 176.300 -0.202 0.000 1.284 216 M CA -1.230 53.816 55.300 -0.423 0.000 0.801 216 M CB 1.545 33.908 32.600 -0.396 0.000 1.712 216 M HN 0.471 nan 8.290 nan 0.000 0.453 217 N N -0.004 118.633 118.700 -0.105 0.000 2.255 217 N HA 0.065 4.806 4.740 0.001 0.000 0.253 217 N C -0.060 175.423 175.510 -0.045 0.000 1.313 217 N CA 0.006 53.027 53.050 -0.047 0.000 0.912 217 N CB -0.115 38.368 38.487 -0.007 0.000 1.145 217 N HN 0.681 nan 8.380 nan 0.000 0.511 218 D N -0.857 119.535 120.400 -0.014 0.000 2.263 218 D HA -0.086 4.555 4.640 0.001 0.000 0.208 218 D C 1.089 177.394 176.300 0.008 0.000 0.971 218 D CA 0.786 54.783 54.000 -0.005 0.000 0.867 218 D CB 0.022 40.830 40.800 0.013 0.000 0.929 218 D HN 0.401 nan 8.370 nan 0.000 0.492 219 K N 0.289 120.695 120.400 0.011 0.000 2.360 219 K HA -0.055 4.266 4.320 0.001 0.000 0.201 219 K C 0.836 177.443 176.600 0.011 0.000 1.046 219 K CA 0.392 56.697 56.287 0.030 0.000 0.940 219 K CB 0.085 32.608 32.500 0.038 0.000 0.748 219 K HN 0.282 nan 8.250 nan 0.000 0.465 220 I N 0.885 121.432 120.570 -0.037 0.000 2.378 220 I HA 0.090 4.261 4.170 0.001 0.000 0.291 220 I C -0.129 175.986 176.117 -0.003 0.000 0.992 220 I CA -0.802 60.470 61.300 -0.046 0.000 1.154 220 I CB 1.987 39.879 38.000 -0.181 0.000 1.315 220 I HN -0.353 nan 8.210 nan 0.000 0.448 221 V N 6.673 126.596 119.914 0.014 0.000 3.036 221 V HA 0.482 4.603 4.120 0.001 0.000 0.308 221 V C 0.301 176.420 176.094 0.042 0.000 1.070 221 V CA -0.392 61.919 62.300 0.018 0.000 1.056 221 V CB 1.772 33.584 31.823 -0.018 0.000 1.084 221 V HN 0.514 nan 8.190 nan 0.000 0.471 241 I N 3.169 123.697 120.570 -0.069 0.000 2.390 241 I HA 0.652 4.823 4.170 0.001 0.000 0.283 241 I C 0.695 176.754 176.117 -0.098 0.000 1.016 241 I CA -0.682 60.578 61.300 -0.067 0.000 1.151 241 I CB 0.599 38.576 38.000 -0.038 0.000 1.293 241 I HN 0.450 nan 8.210 nan 0.000 0.458 242 A N 7.423 130.149 122.820 -0.156 0.000 2.477 242 A HA 0.550 4.870 4.320 0.001 0.000 0.246 242 A C -0.227 177.294 177.584 -0.106 0.000 1.078 242 A CA 0.070 51.972 52.037 -0.225 0.000 0.770 242 A CB 0.123 18.872 19.000 -0.417 0.000 1.011 242 A HN 0.540 nan 8.150 nan 0.000 0.494 243 I N 1.946 122.466 120.570 -0.084 0.000 2.474 243 I HA 0.203 4.374 4.170 0.001 0.000 0.294 243 I C -0.317 175.795 176.117 -0.008 0.000 1.005 243 I CA -0.312 60.970 61.300 -0.030 0.000 1.113 243 I CB 1.877 39.864 38.000 -0.022 0.000 1.289 243 I HN 0.587 nan 8.210 nan 0.000 0.436 244 D N 5.316 125.728 120.400 0.019 0.000 2.487 244 D HA 0.110 4.751 4.640 0.001 0.000 0.243 244 D C -0.599 175.719 176.300 0.029 0.000 1.154 244 D CA 0.852 54.875 54.000 0.039 0.000 0.876 244 D CB 0.946 41.773 40.800 0.045 0.000 1.161 244 D HN 0.391 nan 8.370 nan 0.000 0.478 245 D N 0.273 120.698 120.400 0.041 0.000 2.623 245 D HA 0.314 4.955 4.640 0.001 0.000 0.241 245 D C -1.779 174.542 176.300 0.035 0.000 1.241 245 D CA -0.427 53.588 54.000 0.025 0.000 0.788 245 D CB 1.833 42.635 40.800 0.003 0.000 1.413 245 D HN 0.334 nan 8.370 nan 0.000 0.429 246 C N 2.067 121.360 119.300 -0.012 0.000 2.727 246 C HA 0.679 5.140 4.460 0.001 0.000 0.369 246 C C -0.961 173.885 174.990 -0.240 0.000 1.067 246 C CA -0.167 58.785 59.018 -0.110 0.000 1.273 246 C CB 0.231 27.887 27.740 -0.140 0.000 1.778 246 C HN 0.555 nan 8.230 nan 0.000 0.467 247 T N 5.183 119.569 114.554 -0.280 0.000 2.859 247 T HA 0.725 5.076 4.350 0.001 0.000 0.281 247 T C -0.849 173.611 174.700 -0.401 0.000 1.005 247 T CA 0.030 61.994 62.100 -0.228 0.000 1.025 247 T CB 0.683 69.492 68.868 -0.098 0.000 0.977 247 T HN 0.455 nan 8.240 nan 0.000 0.458 248 F N 1.119 121.076 119.950 0.012 0.000 2.507 248 F HA 0.372 4.899 4.527 0.001 0.000 0.327 248 F C 1.000 176.794 175.800 -0.010 0.000 1.068 248 F CA -1.128 56.877 58.000 0.007 0.000 0.965 248 F CB 0.841 39.847 39.000 0.010 0.000 1.192 248 F HN 0.506 nan 8.300 nan 0.000 0.476 249 H N 2.434 121.556 119.070 0.085 0.000 3.016 249 H HA -0.061 4.496 4.556 0.002 0.000 0.345 249 H C 1.116 176.367 175.328 -0.129 0.000 1.066 249 H CA 0.782 56.811 56.048 -0.032 0.000 1.390 249 H CB 1.117 30.872 29.762 -0.012 0.000 1.344 249 H HN 0.873 nan 8.280 nan 0.000 0.605 250 Q N 2.635 122.106 119.800 -0.549 0.000 2.248 250 Q HA -0.167 4.174 4.340 0.001 0.000 0.208 250 Q C 2.176 177.898 176.000 -0.464 0.000 0.984 250 Q CA 1.929 57.471 55.803 -0.435 0.000 0.875 250 Q CB -0.558 27.871 28.738 -0.516 0.000 0.910 250 Q HN 0.668 nan 8.270 nan 0.000 0.433 251 C N -0.401 118.575 119.300 -0.539 0.000 2.522 251 C HA 0.376 4.837 4.460 0.001 0.000 0.271 251 C C 0.984 175.951 174.990 -0.039 0.000 1.425 251 C CA -0.937 57.722 59.018 -0.599 0.000 1.751 251 C CB -0.918 26.394 27.740 -0.713 0.000 1.775 251 C HN 0.250 nan 8.230 nan 0.000 0.557 252 V N 2.243 122.148 119.914 -0.015 0.000 2.509 252 V HA 0.412 4.533 4.120 0.001 0.000 0.284 252 V C 0.061 176.160 176.094 0.007 0.000 1.047 252 V CA -0.022 62.307 62.300 0.049 0.000 0.952 252 V CB 0.914 32.722 31.823 -0.025 0.000 0.988 252 V HN 0.498 nan 8.190 nan 0.000 0.469 253 R N 4.583 125.112 120.500 0.049 0.000 2.664 253 R HA 0.776 5.116 4.340 0.001 0.000 0.286 253 R C -1.293 174.976 176.300 -0.051 0.000 0.967 253 R CA -0.663 55.446 56.100 0.015 0.000 0.933 253 R CB 1.626 31.970 30.300 0.074 0.000 1.146 253 R HN 0.565 nan 8.270 nan 0.000 0.468 254 L N 0.953 122.133 121.223 -0.072 0.000 2.333 254 L HA 0.668 5.009 4.340 0.001 0.000 0.280 254 L C -0.105 176.747 176.870 -0.031 0.000 1.004 254 L CA -0.477 54.307 54.840 -0.094 0.000 0.820 254 L CB 1.842 43.820 42.059 -0.135 0.000 1.247 254 L HN 0.635 nan 8.230 nan 0.000 0.416 262 S N -0.003 115.714 115.700 0.028 0.000 2.776 262 S HA 0.799 5.269 4.470 0.001 0.000 0.292 262 S C -1.188 173.442 174.600 0.049 0.000 1.187 262 S CA -0.819 57.402 58.200 0.036 0.000 0.834 262 S CB 1.774 65.049 63.200 0.124 0.000 1.199 262 S HN 0.350 nan 8.310 nan 0.000 0.514 263 I N 1.996 122.635 120.570 0.116 0.000 2.533 263 I HA 0.617 4.788 4.170 0.001 0.000 0.290 263 I C -0.519 175.777 176.117 0.299 0.000 1.056 263 I CA -0.165 61.245 61.300 0.183 0.000 1.057 263 I CB 2.341 40.528 38.000 0.312 0.000 1.240 263 I HN 0.896 nan 8.210 nan 0.000 0.423 264 S N 6.046 121.902 115.700 0.259 0.000 2.569 264 S HA 0.938 5.409 4.470 0.001 0.000 0.280 264 S C -0.918 173.865 174.600 0.305 0.000 1.111 264 S CA -0.575 57.738 58.200 0.188 0.000 0.887 264 S CB 2.005 65.257 63.200 0.085 0.000 1.095 264 S HN 0.579 nan 8.310 nan 0.000 0.476 265 F N -1.234 118.798 119.950 0.135 0.000 2.769 265 F HA 0.631 5.158 4.527 0.001 0.000 0.313 265 F C -1.995 173.909 175.800 0.174 0.000 1.146 265 F CA -1.439 56.649 58.000 0.146 0.000 0.934 265 F CB 0.588 39.656 39.000 0.112 0.000 1.283 265 F HN 0.509 nan 8.300 nan 0.000 0.443 266 I N 4.180 124.995 120.570 0.409 0.000 2.307 266 I HA 0.362 4.533 4.170 0.001 0.000 0.289 266 I C -2.237 174.176 176.117 0.493 0.000 1.021 266 I CA -2.042 59.461 61.300 0.337 0.000 1.224 266 I CB 1.622 39.787 38.000 0.276 0.000 1.376 266 I HN 0.320 nan 8.210 nan 0.000 0.470 267 P HA 0.254 nan 4.420 nan 0.000 0.274 267 P C -2.637 174.662 177.300 -0.001 0.000 1.231 267 P CA -1.714 61.477 63.100 0.152 0.000 0.790 267 P CB 0.013 31.921 31.700 0.346 0.000 0.951 268 P HA 0.017 nan 4.420 nan 0.000 0.267 268 P C -0.049 177.208 177.300 -0.073 0.000 1.201 268 P CA 0.585 63.579 63.100 -0.176 0.000 0.775 268 P CB 0.125 31.514 31.700 -0.519 0.000 0.854 269 D N 0.787 121.220 120.400 0.054 0.000 2.362 269 D HA 0.398 5.039 4.640 0.001 0.000 0.242 269 D C 1.107 177.454 176.300 0.078 0.000 1.132 269 D CA 1.337 55.399 54.000 0.102 0.000 0.907 269 D CB 0.321 41.235 40.800 0.190 0.000 1.195 269 D HN 0.569 nan 8.370 nan 0.000 0.429 270 G N 2.470 111.258 108.800 -0.019 0.000 2.509 270 G HA2 -0.242 3.719 3.960 0.001 0.000 0.259 270 G HA3 -0.242 3.719 3.960 0.001 0.000 0.259 270 G C -0.267 174.609 174.900 -0.041 0.000 1.169 270 G CA 0.184 45.251 45.100 -0.055 0.000 0.953 270 G HN 0.698 nan 8.290 nan 0.000 0.563 271 E N 0.339 120.565 120.200 0.043 0.000 2.166 271 E HA 0.651 5.002 4.350 0.001 0.000 0.275 271 E C -0.442 176.245 176.600 0.146 0.000 0.941 271 E CA -0.715 55.702 56.400 0.027 0.000 0.784 271 E CB 0.859 30.537 29.700 -0.037 0.000 1.115 271 E HN 1.031 nan 8.360 nan 0.000 0.399 272 F N 0.824 120.693 119.950 -0.135 0.000 2.741 272 F HA 0.420 4.948 4.527 0.001 0.000 0.313 272 F C -1.474 174.228 175.800 -0.163 0.000 1.153 272 F CA -1.106 56.807 58.000 -0.145 0.000 0.931 272 F CB 1.195 40.055 39.000 -0.234 0.000 1.335 272 F HN 0.296 nan 8.300 nan 0.000 0.460 273 E N 2.233 122.298 120.200 -0.226 0.000 2.115 273 E HA 0.286 4.637 4.350 0.001 0.000 0.282 273 E C -0.363 176.055 176.600 -0.304 0.000 0.987 273 E CA -0.611 55.613 56.400 -0.292 0.000 0.797 273 E CB 1.658 31.313 29.700 -0.076 0.000 1.086 273 E HN 0.833 nan 8.360 nan 0.000 0.397 274 L N 6.074 126.952 121.223 -0.576 0.000 2.084 274 L HA 0.148 4.489 4.340 0.001 0.000 0.202 274 L C 0.567 177.373 176.870 -0.107 0.000 1.074 274 L CA 1.426 56.024 54.840 -0.403 0.000 0.757 274 L CB 0.088 41.756 42.059 -0.652 0.000 0.918 274 L HN 0.719 nan 8.230 nan 0.000 0.444 275 M N -1.212 118.309 119.600 -0.133 0.000 2.484 275 M HA 0.447 4.928 4.480 0.001 0.000 0.289 275 M C -0.905 175.364 176.300 -0.053 0.000 1.206 275 M CA -0.705 54.517 55.300 -0.130 0.000 0.892 275 M CB 2.311 34.781 32.600 -0.217 0.000 1.712 275 M HN -0.157 nan 8.290 nan 0.000 0.462 276 R N 2.126 122.576 120.500 -0.084 0.000 2.532 276 R HA 0.808 5.149 4.340 0.001 0.000 0.295 276 R C -1.873 174.447 176.300 0.033 0.000 0.968 276 R CA -0.369 55.697 56.100 -0.056 0.000 0.916 276 R CB 1.783 32.027 30.300 -0.095 0.000 1.124 276 R HN 0.849 nan 8.270 nan 0.000 0.463 277 Y N -1.142 119.087 120.300 -0.119 0.000 2.638 277 Y HA 0.555 5.106 4.550 0.001 0.000 0.335 277 Y C -1.349 174.528 175.900 -0.037 0.000 1.155 277 Y CA -1.332 56.711 58.100 -0.095 0.000 1.046 277 Y CB 1.421 39.824 38.460 -0.096 0.000 1.303 277 Y HN 0.354 nan 8.280 nan 0.000 0.460 278 R N 1.333 121.866 120.500 0.056 0.000 2.575 278 R HA 0.659 5.000 4.340 0.001 0.000 0.293 278 R C -1.536 174.851 176.300 0.145 0.000 0.983 278 R CA -0.567 55.559 56.100 0.042 0.000 0.887 278 R CB 2.304 32.604 30.300 -0.001 0.000 1.184 278 R HN 0.987 nan 8.270 nan 0.000 0.445 279 T N 0.155 114.815 114.554 0.177 0.000 2.907 279 T HA 0.358 4.709 4.350 0.001 0.000 0.292 279 T C 0.477 175.269 174.700 0.153 0.000 1.043 279 T CA -0.273 61.929 62.100 0.169 0.000 1.003 279 T CB 1.587 70.578 68.868 0.206 0.000 1.084 279 T HN 0.729 nan 8.240 nan 0.000 0.483 280 T N -0.328 114.299 114.554 0.121 0.000 3.041 280 T HA 0.407 4.758 4.350 0.001 0.000 0.276 280 T C 0.117 174.861 174.700 0.074 0.000 0.948 280 T CA -0.386 61.778 62.100 0.107 0.000 0.885 280 T CB 0.158 69.076 68.868 0.083 0.000 1.175 280 T HN 0.449 nan 8.240 nan 0.000 0.529 281 K N 2.024 122.471 120.400 0.078 0.000 2.156 281 K HA 0.421 4.742 4.320 0.001 0.000 0.254 281 K C -0.815 175.821 176.600 0.059 0.000 0.950 281 K CA -0.657 55.660 56.287 0.050 0.000 0.849 281 K CB 1.102 33.655 32.500 0.087 0.000 1.100 281 K HN -0.030 nan 8.250 nan 0.000 0.434 282 D N 0.925 121.334 120.400 0.015 0.000 2.746 282 D HA -0.177 4.464 4.640 0.001 0.000 0.236 282 D C -0.319 176.017 176.300 0.060 0.000 1.129 282 D CA 0.861 54.883 54.000 0.036 0.000 0.691 282 D CB -1.552 39.302 40.800 0.090 0.000 1.077 282 D HN 0.446 nan 8.370 nan 0.000 0.432 283 I N 0.309 120.915 120.570 0.059 0.000 2.532 283 I HA 0.228 4.399 4.170 0.001 0.000 0.292 283 I C 1.182 177.359 176.117 0.099 0.000 1.014 283 I CA -0.582 60.773 61.300 0.092 0.000 1.340 283 I CB 0.985 39.039 38.000 0.091 0.000 1.422 283 I HN -0.089 nan 8.210 nan 0.000 0.528 284 I N 6.626 127.283 120.570 0.145 0.000 2.306 284 I HA 0.228 4.399 4.170 0.001 0.000 0.288 284 I C -0.514 175.735 176.117 0.220 0.000 1.036 284 I CA -0.416 60.981 61.300 0.163 0.000 1.221 284 I CB 0.550 38.670 38.000 0.200 0.000 1.385 284 I HN 0.281 nan 8.210 nan 0.000 0.472 285 L N 8.844 130.184 121.223 0.196 0.000 2.312 285 L HA 0.231 4.572 4.340 0.001 0.000 0.287 285 L C -1.478 175.554 176.870 0.270 0.000 1.091 285 L CA -1.407 53.606 54.840 0.288 0.000 0.846 285 L CB 0.337 42.525 42.059 0.216 0.000 1.219 285 L HN 0.347 nan 8.230 nan 0.000 0.439 286 P HA -0.111 nan 4.420 nan 0.000 0.218 286 P C -0.306 176.884 177.300 -0.183 0.000 1.148 286 P CA 1.313 64.457 63.100 0.074 0.000 0.822 286 P CB 0.200 31.741 31.700 -0.265 0.000 0.784 287 F N -1.626 118.317 119.950 -0.011 0.000 2.551 287 F HA 0.489 5.017 4.527 0.001 0.000 0.316 287 F C 0.786 176.699 175.800 0.188 0.000 1.089 287 F CA -1.147 56.874 58.000 0.034 0.000 0.915 287 F CB 1.610 40.559 39.000 -0.086 0.000 1.186 287 F HN -0.461 nan 8.300 nan 0.000 0.456 288 R N 1.315 121.988 120.500 0.289 0.000 2.474 288 R HA 0.811 5.152 4.340 0.001 0.000 0.295 288 R C -1.884 174.554 176.300 0.229 0.000 0.980 288 R CA -0.489 55.742 56.100 0.219 0.000 0.934 288 R CB 1.473 31.843 30.300 0.116 0.000 1.101 288 R HN 0.556 nan 8.270 nan 0.000 0.469 289 V N 6.636 126.668 119.914 0.197 0.000 2.378 289 V HA 0.379 4.499 4.120 0.001 0.000 0.288 289 V C -0.264 175.907 176.094 0.129 0.000 1.016 289 V CA -0.609 61.798 62.300 0.179 0.000 0.840 289 V CB 1.521 33.458 31.823 0.191 0.000 0.994 289 V HN 0.679 nan 8.190 nan 0.000 0.431 290 I N 7.838 128.481 120.570 0.123 0.000 2.359 290 I HA 0.394 4.565 4.170 0.001 0.000 0.284 290 I C -2.464 173.706 176.117 0.088 0.000 1.018 290 I CA -1.799 59.554 61.300 0.088 0.000 1.173 290 I CB 1.993 40.038 38.000 0.074 0.000 1.326 290 I HN 0.393 nan 8.210 nan 0.000 0.462 291 P HA 0.440 nan 4.420 nan 0.000 0.292 291 P C -0.985 176.346 177.300 0.052 0.000 1.283 291 P CA -0.529 62.613 63.100 0.070 0.000 0.835 291 P CB 1.928 33.669 31.700 0.067 0.000 1.017 292 L N 2.814 124.066 121.223 0.049 0.000 2.454 292 L HA 0.372 4.713 4.340 0.001 0.000 0.258 292 L C -0.542 176.353 176.870 0.042 0.000 1.025 292 L CA -0.806 54.057 54.840 0.038 0.000 0.901 292 L CB 1.856 43.932 42.059 0.028 0.000 1.210 292 L HN 0.042 nan 8.230 nan 0.000 0.457 293 V N 3.007 122.951 119.914 0.051 0.000 2.370 293 V HA 0.466 4.586 4.120 0.001 0.000 0.283 293 V C -0.077 176.052 176.094 0.059 0.000 1.023 293 V CA -0.481 61.861 62.300 0.070 0.000 0.857 293 V CB 1.898 33.784 31.823 0.104 0.000 0.985 293 V HN 0.609 nan 8.190 nan 0.000 0.443 294 R N 3.287 123.819 120.500 0.053 0.000 2.435 294 R HA 0.388 4.729 4.340 0.001 0.000 0.308 294 R C -0.391 175.936 176.300 0.044 0.000 0.975 294 R CA -0.454 55.671 56.100 0.041 0.000 0.867 294 R CB 1.153 31.467 30.300 0.024 0.000 1.171 294 R HN 0.748 nan 8.270 nan 0.000 0.470 295 E N 3.220 123.452 120.200 0.054 0.000 1.944 295 E HA 0.054 4.405 4.350 0.001 0.000 0.272 295 E C -0.470 176.147 176.600 0.028 0.000 1.195 295 E CA -0.151 56.280 56.400 0.052 0.000 0.926 295 E CB 1.052 30.795 29.700 0.071 0.000 1.051 295 E HN 0.263 nan 8.360 nan 0.000 0.404 296 V N 4.510 124.433 119.914 0.014 0.000 2.341 296 V HA 0.157 4.278 4.120 0.001 0.000 0.248 296 V C 1.169 177.265 176.094 0.003 0.000 1.107 296 V CA 0.978 63.281 62.300 0.005 0.000 1.069 296 V CB -0.646 31.175 31.823 -0.004 0.000 1.177 296 V HN 1.011 nan 8.190 nan 0.000 0.492 297 G N 4.843 113.648 108.800 0.008 0.000 2.536 297 G HA2 -0.304 3.657 3.960 0.001 0.000 0.277 297 G HA3 -0.304 3.657 3.960 0.001 0.000 0.277 297 G C 0.662 175.569 174.900 0.011 0.000 1.155 297 G CA 0.521 45.626 45.100 0.007 0.000 0.960 297 G HN 0.665 nan 8.290 nan 0.000 0.544 298 R N 0.155 120.657 120.500 0.004 0.000 2.544 298 R HA 0.378 4.719 4.340 0.001 0.000 0.426 298 R C 1.383 177.675 176.300 -0.013 0.000 0.943 298 R CA 1.281 57.383 56.100 0.004 0.000 1.162 298 R CB 0.284 30.588 30.300 0.007 0.000 1.588 298 R HN 0.766 nan 8.270 nan 0.000 0.563 299 T N -1.396 113.146 114.554 -0.020 0.000 3.250 299 T HA 0.308 4.659 4.350 0.001 0.000 0.265 299 T C -0.207 174.467 174.700 -0.044 0.000 0.973 299 T CA 0.311 62.391 62.100 -0.032 0.000 1.040 299 T CB 0.404 69.257 68.868 -0.025 0.000 1.167 299 T HN -0.010 nan 8.240 nan 0.000 0.471 300 K N 0.583 120.962 120.400 -0.036 0.000 2.168 300 K HA 0.804 5.125 4.320 0.001 0.000 0.239 300 K C -1.488 175.091 176.600 -0.035 0.000 0.999 300 K CA -0.632 55.629 56.287 -0.043 0.000 0.900 300 K CB 1.700 34.179 32.500 -0.035 0.000 1.111 300 K HN 0.208 nan 8.250 nan 0.000 0.452 301 L N 0.350 121.549 121.223 -0.040 0.000 2.639 301 L HA 0.289 4.630 4.340 0.001 0.000 0.264 301 L C -1.554 175.304 176.870 -0.020 0.000 0.948 301 L CA -0.090 54.738 54.840 -0.020 0.000 0.912 301 L CB 1.953 43.989 42.059 -0.038 0.000 1.294 301 L HN 0.656 nan 8.230 nan 0.000 0.412 302 E N 3.655 123.854 120.200 -0.001 0.000 2.146 302 E HA 0.628 4.979 4.350 0.001 0.000 0.282 302 E C -1.543 175.064 176.600 0.012 0.000 0.989 302 E CA -0.537 55.860 56.400 -0.005 0.000 0.799 302 E CB 1.315 31.013 29.700 -0.005 0.000 1.088 302 E HN 0.479 nan 8.360 nan 0.000 0.397 303 V N 5.595 125.511 119.914 0.003 0.000 2.380 303 V HA 0.316 4.437 4.120 0.001 0.000 0.286 303 V C -0.438 175.653 176.094 -0.005 0.000 1.015 303 V CA -0.801 61.512 62.300 0.020 0.000 0.834 303 V CB 1.374 33.220 31.823 0.039 0.000 1.009 303 V HN 0.604 nan 8.190 nan 0.000 0.428 304 K N 3.205 123.606 120.400 0.001 0.000 2.221 304 K HA 0.848 5.169 4.320 0.001 0.000 0.258 304 K C -1.260 175.349 176.600 0.015 0.000 0.944 304 K CA -0.648 55.630 56.287 -0.015 0.000 0.823 304 K CB 2.570 35.061 32.500 -0.014 0.000 1.113 304 K HN 0.421 nan 8.250 nan 0.000 0.431 305 V N 3.242 123.163 119.914 0.011 0.000 2.686 305 V HA 0.373 4.494 4.120 0.001 0.000 0.306 305 V C -1.020 175.150 176.094 0.128 0.000 1.065 305 V CA -0.869 61.482 62.300 0.084 0.000 0.894 305 V CB 2.151 34.051 31.823 0.129 0.000 1.004 305 V HN 0.448 nan 8.190 nan 0.000 0.424 306 V N 6.180 126.191 119.914 0.163 0.000 2.540 306 V HA 0.598 4.719 4.120 0.001 0.000 0.302 306 V C -0.309 175.921 176.094 0.228 0.000 1.035 306 V CA -0.566 61.853 62.300 0.199 0.000 0.873 306 V CB 1.877 33.773 31.823 0.123 0.000 0.992 306 V HN 0.800 nan 8.190 nan 0.000 0.428 307 I N 1.600 122.334 120.570 0.274 0.000 2.562 307 I HA 0.724 4.895 4.170 0.001 0.000 0.301 307 I C -0.604 175.628 176.117 0.192 0.000 1.003 307 I CA -0.651 60.787 61.300 0.231 0.000 1.127 307 I CB 1.908 40.016 38.000 0.181 0.000 1.304 307 I HN 0.422 nan 8.210 nan 0.000 0.446 308 K N 3.893 124.396 120.400 0.171 0.000 2.426 308 K HA 0.365 4.686 4.320 0.001 0.000 0.254 308 K C -0.785 175.757 176.600 -0.097 0.000 0.936 308 K CA -0.673 55.638 56.287 0.039 0.000 0.801 308 K CB 2.273 34.779 32.500 0.010 0.000 1.139 308 K HN 0.850 nan 8.250 nan 0.000 0.424 309 S N 1.514 117.017 115.700 -0.327 0.000 2.416 309 S HA 0.095 4.566 4.470 0.001 0.000 0.287 309 S C 0.118 174.241 174.600 -0.795 0.000 1.139 309 S CA -0.656 57.024 58.200 -0.867 0.000 1.058 309 S CB 0.391 62.965 63.200 -1.044 0.000 0.967 309 S HN 0.642 nan 8.310 nan 0.000 0.495 310 N N 3.404 121.739 118.700 -0.609 0.000 2.920 310 N HA 0.337 5.078 4.740 0.001 0.000 0.310 310 N C -0.915 174.483 175.510 -0.186 0.000 1.384 310 N CA -0.855 52.007 53.050 -0.314 0.000 1.083 310 N CB -0.551 37.868 38.487 -0.113 0.000 1.389 310 N HN 0.676 nan 8.380 nan 0.000 0.521 311 F N -2.107 117.694 119.950 -0.249 0.000 2.692 311 F HA 0.586 5.113 4.527 0.001 0.000 0.320 311 F C 0.089 175.744 175.800 -0.241 0.000 1.123 311 F CA -1.534 56.290 58.000 -0.292 0.000 0.961 311 F CB 0.673 39.460 39.000 -0.354 0.000 1.383 311 F HN -0.301 nan 8.300 nan 0.000 0.483 312 K N 1.204 121.586 120.400 -0.029 0.000 2.559 312 K HA 0.055 4.376 4.320 0.001 0.000 0.279 312 K C -1.935 174.646 176.600 -0.031 0.000 0.967 312 K CA -0.693 55.557 56.287 -0.062 0.000 1.000 312 K CB 0.216 32.677 32.500 -0.065 0.000 0.890 312 K HN 0.361 nan 8.250 nan 0.000 0.501 313 P HA -0.152 nan 4.420 nan 0.000 0.219 313 P C 0.835 178.137 177.300 0.004 0.000 1.150 313 P CA 1.122 64.186 63.100 -0.060 0.000 0.814 313 P CB 0.133 31.797 31.700 -0.061 0.000 0.787 314 S N -1.635 114.074 115.700 0.014 0.000 2.603 314 S HA 0.037 4.508 4.470 0.001 0.000 0.229 314 S C 0.598 175.236 174.600 0.064 0.000 0.972 314 S CA 0.202 58.420 58.200 0.030 0.000 0.935 314 S CB -1.149 62.059 63.200 0.013 0.000 0.769 314 S HN 0.020 nan 8.310 nan 0.000 0.536 315 L N 1.322 122.616 121.223 0.118 0.000 2.329 315 L HA 0.569 4.910 4.340 0.001 0.000 0.279 315 L C -0.484 176.529 176.870 0.237 0.000 1.014 315 L CA -0.783 54.150 54.840 0.156 0.000 0.814 315 L CB 1.770 43.922 42.059 0.156 0.000 1.257 315 L HN 0.118 nan 8.230 nan 0.000 0.424 316 L N 2.838 124.160 121.223 0.165 0.000 2.296 316 L HA 0.643 4.984 4.340 0.001 0.000 0.286 316 L C 0.188 177.137 176.870 0.132 0.000 1.023 316 L CA -0.323 54.621 54.840 0.174 0.000 0.812 316 L CB 1.722 43.848 42.059 0.111 0.000 1.223 316 L HN 0.714 nan 8.230 nan 0.000 0.421 317 A N 4.409 127.360 122.820 0.219 0.000 2.304 317 A HA 0.716 5.037 4.320 0.001 0.000 0.301 317 A C -0.540 177.143 177.584 0.166 0.000 1.132 317 A CA -0.364 51.770 52.037 0.161 0.000 0.819 317 A CB 0.878 20.105 19.000 0.377 0.000 1.094 317 A HN 0.756 nan 8.150 nan 0.000 0.492 318 Q N 0.084 119.951 119.800 0.112 0.000 2.528 318 Q HA 0.494 4.834 4.340 0.001 0.000 0.289 318 Q C -0.908 175.118 176.000 0.044 0.000 1.091 318 Q CA -1.110 54.734 55.803 0.069 0.000 0.797 318 Q CB 1.759 30.522 28.738 0.041 0.000 1.466 318 Q HN 0.725 nan 8.270 nan 0.000 0.436 319 K N 0.365 120.769 120.400 0.006 0.000 3.129 319 K HA -0.160 4.161 4.320 0.001 0.000 0.273 319 K C -0.418 176.147 176.600 -0.057 0.000 1.123 319 K CA 0.239 56.510 56.287 -0.027 0.000 0.800 319 K CB -1.313 31.168 32.500 -0.031 0.000 1.238 319 K HN 0.426 nan 8.250 nan 0.000 0.492 320 I N 2.133 122.657 120.570 -0.078 0.000 2.598 320 I HA 0.043 4.214 4.170 0.001 0.000 0.284 320 I C 0.861 176.850 176.117 -0.212 0.000 1.140 320 I CA 0.657 61.850 61.300 -0.178 0.000 1.420 320 I CB 0.201 38.050 38.000 -0.252 0.000 1.387 320 I HN 0.113 nan 8.210 nan 0.000 0.553 321 E N 4.997 125.072 120.200 -0.208 0.000 2.238 321 E HA 0.609 4.960 4.350 0.001 0.000 0.267 321 E C -1.245 175.252 176.600 -0.172 0.000 0.887 321 E CA -0.804 55.494 56.400 -0.169 0.000 0.769 321 E CB 2.998 32.643 29.700 -0.091 0.000 1.187 321 E HN 0.263 nan 8.360 nan 0.000 0.416 322 V N 2.344 122.197 119.914 -0.101 0.000 2.495 322 V HA 0.425 4.546 4.120 0.001 0.000 0.298 322 V C -0.195 175.975 176.094 0.127 0.000 1.031 322 V CA -0.795 61.523 62.300 0.030 0.000 0.871 322 V CB 1.660 33.570 31.823 0.145 0.000 0.988 322 V HN 0.576 nan 8.190 nan 0.000 0.432 323 R N 4.914 125.478 120.500 0.105 0.000 2.312 323 R HA 0.567 4.908 4.340 0.001 0.000 0.310 323 R C -1.244 175.134 176.300 0.129 0.000 1.064 323 R CA -0.413 55.751 56.100 0.106 0.000 0.983 323 R CB 0.552 30.890 30.300 0.063 0.000 1.139 323 R HN 0.746 nan 8.270 nan 0.000 0.536 324 I N 7.297 127.960 120.570 0.155 0.000 2.297 324 I HA 0.328 4.499 4.170 0.001 0.000 0.291 324 I C -1.841 174.377 176.117 0.169 0.000 1.033 324 I CA -2.372 59.025 61.300 0.161 0.000 1.253 324 I CB 1.470 39.565 38.000 0.158 0.000 1.396 324 I HN 0.415 nan 8.210 nan 0.000 0.476 325 P HA 0.227 nan 4.420 nan 0.000 0.274 325 P C -0.574 176.885 177.300 0.264 0.000 1.256 325 P CA -0.114 63.123 63.100 0.228 0.000 0.795 325 P CB 1.088 32.956 31.700 0.280 0.000 1.038 326 T N -3.443 111.229 114.554 0.196 0.000 2.896 326 T HA 0.636 4.987 4.350 0.001 0.000 0.297 326 T C -2.967 171.587 174.700 -0.243 0.000 1.108 326 T CA -2.364 59.727 62.100 -0.015 0.000 1.004 326 T CB 1.214 70.120 68.868 0.062 0.000 1.159 326 T HN 0.194 nan 8.240 nan 0.000 0.499 327 P HA 0.414 nan 4.420 nan 0.000 0.279 327 P C 0.674 177.746 177.300 -0.381 0.000 1.252 327 P CA -0.794 61.737 63.100 -0.947 0.000 0.811 327 P CB 0.703 31.433 31.700 -1.616 0.000 1.035 328 L N 0.433 121.518 121.223 -0.229 0.000 2.079 328 L HA -0.146 4.195 4.340 0.001 0.000 0.210 328 L C 1.381 178.202 176.870 -0.082 0.000 1.081 328 L CA 1.558 56.346 54.840 -0.087 0.000 0.752 328 L CB -1.321 40.720 42.059 -0.031 0.000 0.896 328 L HN 0.508 nan 8.230 nan 0.000 0.433 329 N N -0.039 118.588 118.700 -0.122 0.000 3.034 329 N HA 0.050 4.791 4.740 0.001 0.000 0.265 329 N C -0.781 174.655 175.510 -0.123 0.000 1.166 329 N CA 0.069 53.061 53.050 -0.097 0.000 1.081 329 N CB 0.128 38.562 38.487 -0.088 0.000 1.378 329 N HN 0.025 nan 8.380 nan 0.000 0.520 330 T N 0.008 114.501 114.554 -0.100 0.000 2.864 330 T HA 0.119 4.470 4.350 0.001 0.000 0.299 330 T C 1.147 175.785 174.700 -0.103 0.000 1.011 330 T CA -0.595 61.424 62.100 -0.134 0.000 0.975 330 T CB 1.782 70.550 68.868 -0.168 0.000 0.962 330 T HN 0.408 nan 8.240 nan 0.000 0.448 331 S N 3.198 118.834 115.700 -0.107 0.000 2.378 331 S HA 0.130 4.601 4.470 0.001 0.000 0.221 331 S C 1.116 175.647 174.600 -0.115 0.000 1.037 331 S CA 1.795 59.944 58.200 -0.084 0.000 1.069 331 S CB -0.388 62.766 63.200 -0.077 0.000 1.006 331 S HN 1.027 nan 8.310 nan 0.000 0.423 332 G N -1.257 107.426 108.800 -0.196 0.000 2.634 332 G HA2 0.541 4.502 3.960 0.001 0.000 0.309 332 G HA3 0.541 4.502 3.960 0.001 0.000 0.309 332 G C -1.933 172.736 174.900 -0.385 0.000 1.299 332 G CA -0.045 44.884 45.100 -0.286 0.000 0.798 332 G HN 0.614 nan 8.290 nan 0.000 0.490 333 V N 0.432 120.128 119.914 -0.362 0.000 2.777 333 V HA 0.487 4.607 4.120 0.001 0.000 0.306 333 V C -1.424 174.576 176.094 -0.157 0.000 1.112 333 V CA -0.922 61.191 62.300 -0.312 0.000 0.917 333 V CB 1.967 33.502 31.823 -0.480 0.000 1.018 333 V HN 0.626 nan 8.190 nan 0.000 0.426 334 Q N 3.260 122.988 119.800 -0.120 0.000 2.431 334 Q HA 0.551 4.892 4.340 0.001 0.000 0.249 334 Q C -0.682 175.271 176.000 -0.077 0.000 1.025 334 Q CA -0.264 55.491 55.803 -0.079 0.000 0.835 334 Q CB 2.014 30.710 28.738 -0.069 0.000 1.207 334 Q HN 0.546 nan 8.270 nan 0.000 0.490 335 V N 3.961 123.835 119.914 -0.067 0.000 2.532 335 V HA 0.576 4.697 4.120 0.001 0.000 0.295 335 V C 0.023 176.062 176.094 -0.092 0.000 1.041 335 V CA -0.805 61.445 62.300 -0.084 0.000 0.926 335 V CB 2.029 33.808 31.823 -0.072 0.000 0.992 335 V HN 0.691 nan 8.190 nan 0.000 0.457 336 I N 5.494 125.988 120.570 -0.127 0.000 2.619 336 I HA 0.810 4.981 4.170 0.001 0.000 0.292 336 I C -0.972 175.033 176.117 -0.186 0.000 1.100 336 I CA -0.215 61.014 61.300 -0.119 0.000 1.043 336 I CB 1.659 39.609 38.000 -0.082 0.000 1.239 336 I HN 0.918 nan 8.210 nan 0.000 0.420 337 C N 6.279 125.486 119.300 -0.155 0.000 3.241 337 C HA 0.576 5.037 4.460 0.001 0.000 0.348 337 C C -0.633 174.338 174.990 -0.030 0.000 1.180 337 C CA -0.775 58.138 59.018 -0.176 0.000 1.273 337 C CB 1.987 29.492 27.740 -0.391 0.000 1.620 337 C HN 0.813 nan 8.230 nan 0.000 0.510 338 M N 2.724 122.340 119.600 0.026 0.000 2.963 338 M HA 0.444 4.925 4.480 0.001 0.000 0.350 338 M C -0.290 176.084 176.300 0.124 0.000 1.253 338 M CA 0.382 55.719 55.300 0.063 0.000 0.856 338 M CB -0.195 32.428 32.600 0.039 0.000 1.356 338 M HN 0.766 nan 8.290 nan 0.000 0.510 339 K N 0.148 120.675 120.400 0.211 0.000 2.570 339 K HA 0.595 4.916 4.320 0.001 0.000 0.256 339 K C -0.005 176.803 176.600 0.346 0.000 0.939 339 K CA 0.567 56.997 56.287 0.237 0.000 0.833 339 K CB 2.013 34.658 32.500 0.242 0.000 1.318 339 K HN 0.500 nan 8.250 nan 0.000 0.433 340 G N 3.245 112.177 108.800 0.221 0.000 2.601 340 G HA2 -0.268 3.693 3.960 0.001 0.000 0.252 340 G HA3 -0.268 3.693 3.960 0.001 0.000 0.252 340 G C -1.026 174.024 174.900 0.250 0.000 1.294 340 G CA 0.396 45.625 45.100 0.215 0.000 0.912 340 G HN 0.783 nan 8.290 nan 0.000 0.574 341 K N -0.831 119.730 120.400 0.267 0.000 2.477 341 K HA 0.851 5.171 4.320 0.001 0.000 0.255 341 K C -0.615 176.157 176.600 0.286 0.000 0.952 341 K CA -0.415 55.998 56.287 0.211 0.000 0.826 341 K CB 2.354 34.927 32.500 0.122 0.000 1.331 341 K HN 2.085 nan 8.250 nan 0.000 0.437 342 A N 1.780 124.704 122.820 0.173 0.000 2.475 342 A HA 0.674 4.995 4.320 0.001 0.000 0.301 342 A C -1.601 176.039 177.584 0.092 0.000 1.059 342 A CA -0.869 51.262 52.037 0.157 0.000 0.710 342 A CB 1.641 20.655 19.000 0.024 0.000 1.288 342 A HN 0.881 nan 8.150 nan 0.000 0.408 343 K N 0.776 121.235 120.400 0.099 0.000 2.498 343 K HA 0.569 4.890 4.320 0.001 0.000 0.254 343 K C -1.619 175.050 176.600 0.115 0.000 0.933 343 K CA -0.674 55.665 56.287 0.088 0.000 0.806 343 K CB 1.578 34.114 32.500 0.060 0.000 1.301 343 K HN 0.687 nan 8.250 nan 0.000 0.432 344 Y N 2.390 122.694 120.300 0.006 0.000 2.346 344 Y HA 0.293 4.844 4.550 0.002 0.000 0.330 344 Y C -0.956 174.947 175.900 0.004 0.000 1.178 344 Y CA 0.129 58.231 58.100 0.002 0.000 1.331 344 Y CB 1.142 39.594 38.460 -0.013 0.000 1.253 344 Y HN 0.542 nan 8.280 nan 0.000 0.529 345 K N 5.789 125.750 120.400 -0.732 0.000 2.535 345 K HA 0.502 4.823 4.320 0.001 0.000 0.253 345 K C 0.189 176.273 176.600 -0.860 0.000 0.953 345 K CA -0.192 55.736 56.287 -0.599 0.000 0.863 345 K CB 1.733 34.070 32.500 -0.272 0.000 1.111 345 K HN 0.842 nan 8.250 nan 0.000 0.431 346 A N 1.870 124.250 122.820 -0.732 0.000 1.877 346 A HA -0.171 4.150 4.320 0.001 0.000 0.216 346 A C 2.001 179.471 177.584 -0.191 0.000 1.186 346 A CA 2.213 54.003 52.037 -0.411 0.000 0.620 346 A CB -0.400 18.539 19.000 -0.102 0.000 0.822 346 A HN 0.714 nan 8.150 nan 0.000 0.443 347 S N -0.365 115.249 115.700 -0.144 0.000 2.453 347 S HA -0.068 4.403 4.470 0.001 0.000 0.231 347 S C 1.399 175.959 174.600 -0.066 0.000 1.005 347 S CA 1.023 59.177 58.200 -0.076 0.000 0.949 347 S CB -0.238 62.927 63.200 -0.058 0.000 0.774 347 S HN 0.572 nan 8.310 nan 0.000 0.510 348 E N 1.705 121.846 120.200 -0.099 0.000 2.358 348 E HA 0.023 4.373 4.350 0.001 0.000 0.195 348 E C -0.118 176.456 176.600 -0.042 0.000 1.010 348 E CA 0.074 56.432 56.400 -0.070 0.000 0.856 348 E CB -0.405 29.238 29.700 -0.095 0.000 0.795 348 E HN 0.484 nan 8.360 nan 0.000 0.504 349 N N 0.379 119.041 118.700 -0.063 0.000 2.716 349 N HA -0.204 4.537 4.740 0.001 0.000 0.250 349 N C -0.668 174.877 175.510 0.058 0.000 1.033 349 N CA 1.170 54.227 53.050 0.012 0.000 0.727 349 N CB -1.225 37.292 38.487 0.050 0.000 0.950 349 N HN 0.221 nan 8.380 nan 0.000 0.541 350 A N -0.377 122.440 122.820 -0.004 0.000 2.574 350 A HA 0.732 5.053 4.320 0.001 0.000 0.297 350 A C -0.205 177.421 177.584 0.070 0.000 1.062 350 A CA -0.700 51.378 52.037 0.068 0.000 0.686 350 A CB 1.429 20.461 19.000 0.053 0.000 1.285 350 A HN 0.139 nan 8.150 nan 0.000 0.403 351 I N 1.381 122.047 120.570 0.160 0.000 2.396 351 I HA 0.439 4.610 4.170 0.001 0.000 0.292 351 I C -0.630 175.568 176.117 0.135 0.000 0.999 351 I CA -0.672 60.726 61.300 0.163 0.000 1.310 351 I CB 1.635 39.736 38.000 0.168 0.000 1.404 351 I HN 0.295 nan 8.210 nan 0.000 0.496 352 V N 5.687 125.678 119.914 0.127 0.000 2.407 352 V HA 0.272 4.393 4.120 0.001 0.000 0.291 352 V C -1.088 175.141 176.094 0.225 0.000 1.018 352 V CA -0.517 61.867 62.300 0.140 0.000 0.842 352 V CB 1.691 33.557 31.823 0.073 0.000 0.996 352 V HN 0.643 nan 8.190 nan 0.000 0.426 353 W N 6.464 127.774 121.300 0.016 0.000 2.417 353 W HA 0.654 5.315 4.660 0.002 0.000 0.315 353 W C -0.613 175.908 176.519 0.004 0.000 1.045 353 W CA -1.579 55.775 57.345 0.016 0.000 1.221 353 W CB 1.303 30.776 29.460 0.021 0.000 1.309 353 W HN 0.436 nan 8.180 nan 0.000 0.453 354 K N 7.011 127.486 120.400 0.124 0.000 2.259 354 K HA 0.676 4.997 4.320 0.001 0.000 0.252 354 K C -1.040 175.476 176.600 -0.139 0.000 0.936 354 K CA -0.952 55.288 56.287 -0.079 0.000 0.810 354 K CB 2.446 34.948 32.500 0.004 0.000 1.143 354 K HN 0.385 nan 8.250 nan 0.000 0.427 355 I N 2.864 123.310 120.570 -0.207 0.000 2.534 355 I HA 0.174 4.344 4.170 0.001 0.000 0.288 355 I C 0.842 176.918 176.117 -0.067 0.000 1.077 355 I CA -0.722 60.491 61.300 -0.144 0.000 1.051 355 I CB 1.937 39.788 38.000 -0.248 0.000 1.234 355 I HN 0.480 nan 8.210 nan 0.000 0.425 356 K N 4.969 125.361 120.400 -0.014 0.000 2.007 356 K HA 0.085 4.406 4.320 0.001 0.000 0.206 356 K C 0.302 176.915 176.600 0.021 0.000 1.047 356 K CA 1.139 57.429 56.287 0.005 0.000 0.937 356 K CB 0.054 32.565 32.500 0.019 0.000 0.718 356 K HN 0.566 nan 8.250 nan 0.000 0.438 357 R N -0.209 120.313 120.500 0.036 0.000 2.744 357 R HA 0.571 4.912 4.340 0.001 0.000 0.279 357 R C -0.712 175.637 176.300 0.081 0.000 0.977 357 R CA -0.507 55.633 56.100 0.067 0.000 0.906 357 R CB 2.083 32.421 30.300 0.062 0.000 1.197 357 R HN -0.008 nan 8.270 nan 0.000 0.463 358 M N 1.671 121.351 119.600 0.134 0.000 2.238 358 M HA 0.496 4.977 4.480 0.001 0.000 0.278 358 M C -1.478 174.910 176.300 0.146 0.000 1.040 358 M CA -0.340 55.035 55.300 0.124 0.000 0.969 358 M CB 2.186 34.884 32.600 0.163 0.000 1.694 358 M HN 0.923 nan 8.290 nan 0.000 0.472 359 A N 3.050 125.908 122.820 0.064 0.000 2.259 359 A HA 0.829 5.150 4.320 0.001 0.000 0.278 359 A C 0.441 177.917 177.584 -0.181 0.000 1.107 359 A CA -0.060 52.015 52.037 0.062 0.000 0.828 359 A CB 0.104 19.122 19.000 0.031 0.000 1.111 359 A HN 0.955 nan 8.150 nan 0.000 0.498 360 G N -1.369 107.270 108.800 -0.267 0.000 2.636 360 G HA2 0.453 4.414 3.960 0.001 0.000 0.246 360 G HA3 0.453 4.414 3.960 0.001 0.000 0.246 360 G C 0.414 175.049 174.900 -0.441 0.000 1.216 360 G CA 0.046 44.708 45.100 -0.730 0.000 0.854 360 G HN 1.010 nan 8.290 nan 0.000 0.572 361 M N -1.034 118.280 119.600 -0.476 0.000 2.461 361 M HA -0.140 4.341 4.480 0.001 0.000 0.203 361 M C 0.174 176.356 176.300 -0.198 0.000 0.428 361 M CA 1.202 56.337 55.300 -0.275 0.000 0.509 361 M CB -2.389 30.099 32.600 -0.187 0.000 1.851 361 M HN 0.622 nan 8.290 nan 0.000 0.834 362 K N 0.251 120.518 120.400 -0.221 0.000 2.313 362 K HA 0.764 5.084 4.320 0.001 0.000 0.235 362 K C 0.070 176.623 176.600 -0.077 0.000 1.035 362 K CA -0.802 55.415 56.287 -0.117 0.000 0.868 362 K CB 2.589 35.038 32.500 -0.086 0.000 1.232 362 K HN 0.277 nan 8.250 nan 0.000 0.459 363 E N 0.253 120.446 120.200 -0.012 0.000 2.336 363 E HA 0.468 4.819 4.350 0.001 0.000 0.267 363 E C -1.422 175.232 176.600 0.091 0.000 0.906 363 E CA -0.586 55.836 56.400 0.037 0.000 0.781 363 E CB 2.127 31.845 29.700 0.031 0.000 1.261 363 E HN 0.460 nan 8.360 nan 0.000 0.436 364 S N 0.806 116.603 115.700 0.163 0.000 2.565 364 S HA 0.307 4.778 4.470 0.001 0.000 0.269 364 S C -1.918 172.898 174.600 0.360 0.000 1.153 364 S CA -0.786 57.572 58.200 0.264 0.000 0.835 364 S CB 1.815 65.212 63.200 0.329 0.000 1.122 364 S HN 0.553 nan 8.310 nan 0.000 0.462 365 Q N 1.741 121.725 119.800 0.306 0.000 2.289 365 Q HA 0.721 5.062 4.340 0.001 0.000 0.270 365 Q C -1.862 173.979 176.000 -0.266 0.000 1.038 365 Q CA -0.594 55.263 55.803 0.089 0.000 0.812 365 Q CB 1.619 30.380 28.738 0.038 0.000 1.300 365 Q HN 0.742 nan 8.270 nan 0.000 0.427 366 I N 2.576 122.791 120.570 -0.592 0.000 2.607 366 I HA 0.630 4.801 4.170 0.001 0.000 0.305 366 I C -1.129 174.793 176.117 -0.325 0.000 0.995 366 I CA -0.555 60.298 61.300 -0.744 0.000 1.148 366 I CB 1.869 39.102 38.000 -1.278 0.000 1.323 366 I HN 0.891 nan 8.210 nan 0.000 0.461 367 S N 5.740 121.285 115.700 -0.257 0.000 2.538 367 S HA 0.911 5.382 4.470 0.001 0.000 0.288 367 S C -0.817 173.701 174.600 -0.137 0.000 1.108 367 S CA -0.716 57.395 58.200 -0.148 0.000 0.971 367 S CB 1.773 64.911 63.200 -0.103 0.000 1.041 367 S HN 0.867 nan 8.310 nan 0.000 0.483 368 A N 1.819 124.580 122.820 -0.098 0.000 2.469 368 A HA 0.838 5.159 4.320 0.001 0.000 0.299 368 A C -0.905 176.636 177.584 -0.071 0.000 1.098 368 A CA -0.863 51.122 52.037 -0.086 0.000 0.737 368 A CB 1.359 20.314 19.000 -0.076 0.000 1.312 368 A HN 0.842 nan 8.150 nan 0.000 0.414 369 E N 1.020 121.172 120.200 -0.080 0.000 2.185 369 E HA 0.502 4.853 4.350 0.001 0.000 0.261 369 E C -1.253 175.284 176.600 -0.106 0.000 0.879 369 E CA -0.127 56.227 56.400 -0.077 0.000 0.756 369 E CB 1.763 31.424 29.700 -0.065 0.000 1.152 369 E HN 0.572 nan 8.360 nan 0.000 0.416 370 I N 1.939 122.444 120.570 -0.109 0.000 2.607 370 I HA 0.348 4.519 4.170 0.001 0.000 0.305 370 I C -0.151 175.884 176.117 -0.136 0.000 0.995 370 I CA -0.772 60.435 61.300 -0.155 0.000 1.148 370 I CB 1.717 39.623 38.000 -0.158 0.000 1.323 370 I HN 0.399 nan 8.210 nan 0.000 0.461 371 E N 5.303 125.407 120.200 -0.161 0.000 2.218 371 E HA 0.573 4.924 4.350 0.001 0.000 0.263 371 E C -1.766 174.758 176.600 -0.128 0.000 0.879 371 E CA -0.386 55.939 56.400 -0.125 0.000 0.762 371 E CB 1.299 30.930 29.700 -0.116 0.000 1.166 371 E HN 0.425 nan 8.360 nan 0.000 0.415 372 L N 4.933 126.094 121.223 -0.104 0.000 2.343 372 L HA 0.468 4.809 4.340 0.001 0.000 0.278 372 L C -0.822 176.005 176.870 -0.073 0.000 0.996 372 L CA -1.253 53.525 54.840 -0.104 0.000 0.831 372 L CB 1.440 43.432 42.059 -0.110 0.000 1.232 372 L HN 0.501 nan 8.230 nan 0.000 0.413 373 L N 7.091 128.274 121.223 -0.067 0.000 2.295 373 L HA 0.445 4.785 4.340 0.001 0.000 0.288 373 L C -2.081 174.764 176.870 -0.042 0.000 1.079 373 L CA -1.078 53.733 54.840 -0.047 0.000 0.830 373 L CB 0.510 42.545 42.059 -0.040 0.000 1.200 373 L HN 0.299 nan 8.230 nan 0.000 0.438 374 P HA 0.198 nan 4.420 nan 0.000 0.241 374 P C 0.207 177.498 177.300 -0.015 0.000 1.780 374 P CA -0.290 62.796 63.100 -0.024 0.000 1.111 374 P CB 0.669 32.358 31.700 -0.017 0.000 1.852 375 T N 1.215 115.759 114.554 -0.015 0.000 3.269 375 T HA -0.110 4.241 4.350 0.001 0.000 0.216 375 T C 0.939 175.638 174.700 -0.002 0.000 1.111 375 T CA 0.322 62.417 62.100 -0.008 0.000 2.053 375 T CB -0.957 67.906 68.868 -0.008 0.000 1.224 375 T HN 0.436 nan 8.240 nan 0.000 0.352 376 N N 2.585 121.287 118.700 0.002 0.000 1.994 376 N HA -0.130 4.611 4.740 0.001 0.000 0.282 376 N C -1.297 174.221 175.510 0.014 0.000 1.372 376 N CA -0.346 52.711 53.050 0.011 0.000 0.983 376 N CB -0.111 38.387 38.487 0.018 0.000 1.390 376 N HN 0.247 nan 8.380 nan 0.000 0.481 377 D N 3.807 124.214 120.400 0.012 0.000 2.383 377 D HA 0.200 4.841 4.640 0.001 0.000 0.245 377 D C 0.113 176.423 176.300 0.017 0.000 1.263 377 D CA 0.710 54.717 54.000 0.012 0.000 0.936 377 D CB 0.394 41.199 40.800 0.008 0.000 1.053 377 D HN 0.562 nan 8.370 nan 0.000 0.507 378 K N 1.622 122.036 120.400 0.023 0.000 10.727 378 K HA -0.111 4.210 4.320 0.001 0.000 1.186 378 K C -1.202 175.421 176.600 0.038 0.000 0.923 378 K CA -0.707 55.596 56.287 0.027 0.000 0.690 378 K CB 0.092 32.605 32.500 0.021 0.000 1.300 378 K HN 0.275 nan 8.250 nan 0.000 0.466 379 K N 2.210 122.635 120.400 0.040 0.000 4.823 379 K HA -0.139 4.182 4.320 0.001 0.000 0.357 379 K C -0.888 175.760 176.600 0.080 0.000 1.055 379 K CA 1.317 57.636 56.287 0.053 0.000 1.110 379 K CB -1.044 31.488 32.500 0.053 0.000 1.617 379 K HN 0.647 nan 8.250 nan 0.000 0.424 380 K N 1.128 121.574 120.400 0.076 0.000 2.486 380 K HA -0.202 4.119 4.320 0.001 0.000 0.257 380 K C -0.082 176.618 176.600 0.167 0.000 1.024 380 K CA 1.100 57.449 56.287 0.102 0.000 1.122 380 K CB 0.052 32.585 32.500 0.055 0.000 0.758 380 K HN 0.383 nan 8.250 nan 0.000 0.461 381 W N 3.038 124.342 121.300 0.006 0.000 2.419 381 W HA 0.342 5.003 4.660 0.001 0.000 0.312 381 W C -0.477 176.048 176.519 0.009 0.000 1.323 381 W CA -0.388 56.962 57.345 0.008 0.000 1.293 381 W CB 0.114 29.580 29.460 0.010 0.000 1.324 381 W HN 0.679 nan 8.180 nan 0.000 0.512 382 A N 7.610 130.255 122.820 -0.292 0.000 2.410 382 A HA 0.305 4.626 4.320 0.001 0.000 0.292 382 A C 0.385 177.452 177.584 -0.861 0.000 1.232 382 A CA -0.412 51.373 52.037 -0.421 0.000 0.893 382 A CB -0.194 18.695 19.000 -0.185 0.000 1.131 382 A HN 0.716 nan 8.150 nan 0.000 0.530 383 R N 3.213 123.141 120.500 -0.952 0.000 2.370 383 R HA 0.253 4.594 4.340 0.001 0.000 0.309 383 R C -2.226 173.771 176.300 -0.504 0.000 1.059 383 R CA -1.104 54.313 56.100 -1.138 0.000 0.981 383 R CB 0.302 30.121 30.300 -0.801 0.000 0.972 383 R HN 0.529 nan 8.270 nan 0.000 0.437 384 P HA 0.172 nan 4.420 nan 0.000 0.278 384 P C -2.460 174.807 177.300 -0.056 0.000 1.238 384 P CA -1.551 61.492 63.100 -0.094 0.000 0.794 384 P CB 0.187 31.906 31.700 0.032 0.000 0.955 385 P HA 0.160 nan 4.420 nan 0.000 0.271 385 P C -0.165 177.160 177.300 0.042 0.000 1.233 385 P CA 0.017 63.115 63.100 -0.004 0.000 0.789 385 P CB 0.683 32.380 31.700 -0.005 0.000 0.951 386 I N 1.050 121.655 120.570 0.059 0.000 2.416 386 I HA 0.107 4.278 4.170 0.001 0.000 0.288 386 I C 1.149 177.323 176.117 0.095 0.000 1.051 386 I CA 0.088 61.443 61.300 0.091 0.000 1.375 386 I CB 0.705 38.772 38.000 0.112 0.000 1.407 386 I HN 0.371 nan 8.210 nan 0.000 0.516 387 S N 7.057 122.812 115.700 0.092 0.000 2.568 387 S HA 0.793 5.264 4.470 0.001 0.000 0.302 387 S C -0.663 173.986 174.600 0.081 0.000 1.082 387 S CA -0.942 57.314 58.200 0.093 0.000 1.009 387 S CB 2.181 65.414 63.200 0.054 0.000 1.069 387 S HN 0.560 nan 8.310 nan 0.000 0.500 388 M N 2.337 121.989 119.600 0.087 0.000 2.530 388 M HA 0.471 4.952 4.480 0.001 0.000 0.307 388 M C -1.275 174.921 176.300 -0.173 0.000 1.161 388 M CA -0.718 54.568 55.300 -0.023 0.000 0.903 388 M CB 2.177 34.786 32.600 0.015 0.000 1.711 388 M HN 0.699 nan 8.290 nan 0.000 0.451 389 N N 2.349 120.922 118.700 -0.211 0.000 2.417 389 N HA 0.814 5.555 4.740 0.001 0.000 0.300 389 N C -1.359 173.984 175.510 -0.277 0.000 1.102 389 N CA -0.089 52.767 53.050 -0.323 0.000 0.886 389 N CB 1.475 39.837 38.487 -0.210 0.000 1.203 389 N HN 0.537 nan 8.380 nan 0.000 0.496 390 F N -2.098 117.695 119.950 -0.263 0.000 2.770 390 F HA 0.528 5.055 4.527 0.001 0.000 0.313 390 F C -0.939 174.767 175.800 -0.158 0.000 1.154 390 F CA -1.046 56.819 58.000 -0.226 0.000 0.923 390 F CB 1.432 40.268 39.000 -0.273 0.000 1.301 390 F HN 0.224 nan 8.300 nan 0.000 0.449 391 E N 1.382 121.697 120.200 0.193 0.000 2.272 391 E HA 0.704 5.055 4.350 0.001 0.000 0.269 391 E C -1.819 174.805 176.600 0.041 0.000 0.877 391 E CA -1.030 55.414 56.400 0.073 0.000 0.755 391 E CB 2.883 32.583 29.700 -0.000 0.000 1.192 391 E HN 0.896 nan 8.360 nan 0.000 0.422 392 V N 0.935 120.788 119.914 -0.100 0.000 2.888 392 V HA 0.582 4.703 4.120 0.001 0.000 0.309 392 V C -2.656 173.252 176.094 -0.310 0.000 1.114 392 V CA -1.918 60.193 62.300 -0.315 0.000 0.940 392 V CB 1.935 33.323 31.823 -0.724 0.000 1.021 392 V HN 0.582 nan 8.190 nan 0.000 0.426 393 P HA 0.334 nan 4.420 nan 0.000 0.227 393 P C -0.721 176.657 177.300 0.131 0.000 1.801 393 P CA 0.095 63.210 63.100 0.024 0.000 0.971 393 P CB -0.870 30.880 31.700 0.083 0.000 1.653 394 F N -2.870 117.039 119.950 -0.067 0.000 2.745 394 F HA 0.815 5.342 4.527 0.001 0.000 0.316 394 F C -1.315 174.475 175.800 -0.016 0.000 1.155 394 F CA -2.040 55.870 58.000 -0.150 0.000 0.937 394 F CB 0.569 39.417 39.000 -0.253 0.000 1.361 394 F HN -0.174 nan 8.300 nan 0.000 0.472 395 A N 1.649 124.539 122.820 0.117 0.000 2.279 395 A HA 0.587 4.908 4.320 0.001 0.000 0.306 395 A C -2.183 175.512 177.584 0.185 0.000 1.300 395 A CA -1.601 50.527 52.037 0.151 0.000 0.925 395 A CB -0.091 19.081 19.000 0.287 0.000 1.152 395 A HN 0.602 nan 8.150 nan 0.000 0.544 396 P HA -0.196 nan 4.420 nan 0.000 0.220 396 P C 1.667 179.077 177.300 0.184 0.000 1.144 396 P CA 1.878 65.080 63.100 0.171 0.000 0.800 396 P CB 0.177 31.946 31.700 0.114 0.000 0.772 397 S N -1.790 114.017 115.700 0.179 0.000 2.474 397 S HA 0.049 4.520 4.470 0.001 0.000 0.235 397 S C 1.864 176.556 174.600 0.154 0.000 0.997 397 S CA 1.104 59.413 58.200 0.183 0.000 0.949 397 S CB -1.350 62.002 63.200 0.254 0.000 0.766 397 S HN 0.300 nan 8.310 nan 0.000 0.517 398 G N 0.238 109.133 108.800 0.159 0.000 2.217 398 G HA2 -0.241 3.720 3.960 0.001 0.000 0.246 398 G HA3 -0.241 3.720 3.960 0.001 0.000 0.246 398 G C -0.037 174.918 174.900 0.091 0.000 0.990 398 G CA 0.039 45.203 45.100 0.107 0.000 0.627 398 G HN 0.707 nan 8.290 nan 0.000 0.522 399 L N 1.371 122.670 121.223 0.127 0.000 2.578 399 L HA 0.473 4.814 4.340 0.001 0.000 0.279 399 L C 0.381 177.361 176.870 0.183 0.000 1.227 399 L CA 0.936 55.849 54.840 0.121 0.000 0.900 399 L CB 0.297 42.442 42.059 0.144 0.000 1.144 399 L HN 0.271 nan 8.230 nan 0.000 0.496 400 K N 3.947 124.427 120.400 0.133 0.000 2.482 400 K HA 0.429 4.750 4.320 0.001 0.000 0.251 400 K C -1.316 175.368 176.600 0.141 0.000 0.936 400 K CA -0.950 55.452 56.287 0.191 0.000 0.791 400 K CB 2.149 34.694 32.500 0.074 0.000 1.213 400 K HN 0.302 nan 8.250 nan 0.000 0.428 401 V N 4.828 124.893 119.914 0.252 0.000 2.439 401 V HA 0.061 4.182 4.120 0.001 0.000 0.271 401 V C 1.108 177.237 176.094 0.059 0.000 1.040 401 V CA 0.125 62.492 62.300 0.112 0.000 1.002 401 V CB 0.627 32.574 31.823 0.207 0.000 1.000 401 V HN 0.674 nan 8.190 nan 0.000 0.477 402 R N 3.893 124.339 120.500 -0.089 0.000 2.146 402 R HA 0.198 4.539 4.340 0.001 0.000 0.206 402 R C -0.085 176.293 176.300 0.131 0.000 1.049 402 R CA 0.757 56.860 56.100 0.004 0.000 1.029 402 R CB 0.255 30.553 30.300 -0.004 0.000 0.949 402 R HN 0.805 nan 8.270 nan 0.000 0.471 403 Y N -2.716 117.582 120.300 -0.003 0.000 2.592 403 Y HA 0.625 5.176 4.550 0.001 0.000 0.334 403 Y C -1.486 174.515 175.900 0.169 0.000 1.136 403 Y CA -1.713 56.425 58.100 0.062 0.000 1.042 403 Y CB 0.991 39.469 38.460 0.029 0.000 1.325 403 Y HN -0.217 nan 8.280 nan 0.000 0.457 404 L N 3.755 125.212 121.223 0.389 0.000 2.442 404 L HA 0.535 4.876 4.340 0.001 0.000 0.261 404 L C -1.405 175.633 176.870 0.280 0.000 1.000 404 L CA -0.915 54.152 54.840 0.379 0.000 0.882 404 L CB 1.159 43.408 42.059 0.318 0.000 1.207 404 L HN 0.617 nan 8.230 nan 0.000 0.443 405 K N 3.520 124.088 120.400 0.280 0.000 2.201 405 K HA 0.615 4.936 4.320 0.001 0.000 0.278 405 K C -0.956 175.713 176.600 0.115 0.000 1.027 405 K CA -0.513 55.868 56.287 0.157 0.000 0.909 405 K CB 2.181 34.735 32.500 0.089 0.000 1.062 405 K HN 0.330 nan 8.250 nan 0.000 0.465 406 V N 4.026 124.013 119.914 0.121 0.000 2.513 406 V HA 0.460 4.581 4.120 0.001 0.000 0.299 406 V C -0.664 175.525 176.094 0.159 0.000 1.035 406 V CA -0.966 61.406 62.300 0.121 0.000 0.889 406 V CB 1.107 33.024 31.823 0.156 0.000 0.988 406 V HN 0.620 nan 8.190 nan 0.000 0.440 407 F N 3.999 123.908 119.950 -0.067 0.000 2.612 407 F HA 0.654 5.182 4.527 0.002 0.000 0.332 407 F C -0.512 175.194 175.800 -0.156 0.000 1.167 407 F CA -0.855 57.073 58.000 -0.119 0.000 0.970 407 F CB 1.566 40.517 39.000 -0.082 0.000 1.234 407 F HN 0.629 nan 8.300 nan 0.000 0.453 408 E N 8.533 128.245 120.200 -0.815 0.000 2.156 408 E HA 0.508 4.859 4.350 0.001 0.000 0.279 408 E C -2.330 173.611 176.600 -1.097 0.000 0.965 408 E CA -2.144 53.759 56.400 -0.828 0.000 0.789 408 E CB 1.675 30.968 29.700 -0.678 0.000 1.098 408 E HN 0.346 nan 8.360 nan 0.000 0.397 409 P HA 0.021 nan 4.420 nan 0.000 0.214 409 P C 0.517 177.632 177.300 -0.308 0.000 1.167 409 P CA 0.773 63.452 63.100 -0.702 0.000 0.882 409 P CB 0.297 31.771 31.700 -0.376 0.000 0.777 410 K N -0.193 120.078 120.400 -0.215 0.000 1.978 410 K HA -0.029 4.292 4.320 0.001 0.000 0.214 410 K C 1.477 178.016 176.600 -0.100 0.000 1.049 410 K CA 0.843 57.060 56.287 -0.117 0.000 0.939 410 K CB -1.422 31.031 32.500 -0.078 0.000 0.721 410 K HN 0.050 nan 8.250 nan 0.000 0.441 411 L N 1.591 122.753 121.223 -0.101 0.000 2.456 411 L HA -0.020 4.320 4.340 0.001 0.000 0.246 411 L C 1.403 178.244 176.870 -0.049 0.000 1.238 411 L CA 0.165 54.994 54.840 -0.018 0.000 0.826 411 L CB 0.221 42.348 42.059 0.113 0.000 1.150 411 L HN 0.453 nan 8.230 nan 0.000 0.514 412 N N -0.651 118.091 118.700 0.070 0.000 2.336 412 N HA -0.060 4.681 4.740 0.001 0.000 0.189 412 N C -0.440 175.135 175.510 0.108 0.000 1.113 412 N CA -0.085 53.005 53.050 0.067 0.000 0.858 412 N CB 0.177 38.721 38.487 0.096 0.000 0.970 412 N HN 0.541 nan 8.380 nan 0.000 0.471 413 Y N 0.556 120.866 120.300 0.017 0.000 2.534 413 Y HA 0.702 5.253 4.550 0.002 0.000 0.329 413 Y C -0.104 175.830 175.900 0.058 0.000 1.154 413 Y CA -1.349 56.779 58.100 0.045 0.000 1.192 413 Y CB 1.165 39.656 38.460 0.051 0.000 1.275 413 Y HN 0.018 nan 8.280 nan 0.000 0.491 414 S N 0.088 115.911 115.700 0.204 0.000 2.548 414 S HA 0.204 4.675 4.470 0.001 0.000 0.286 414 S C 0.023 174.759 174.600 0.227 0.000 1.098 414 S CA -0.501 57.778 58.200 0.131 0.000 0.930 414 S CB 1.650 64.925 63.200 0.124 0.000 1.070 414 S HN 0.893 nan 8.310 nan 0.000 0.480 415 D N 1.493 121.999 120.400 0.176 0.000 2.191 415 D HA -0.315 4.326 4.640 0.001 0.000 0.195 415 D C 1.535 177.936 176.300 0.167 0.000 1.003 415 D CA 2.535 56.639 54.000 0.173 0.000 0.867 415 D CB -0.562 40.318 40.800 0.133 0.000 0.926 415 D HN 0.960 nan 8.370 nan 0.000 0.450 416 H N -0.754 118.361 119.070 0.074 0.000 2.457 416 H HA -0.088 4.468 4.556 0.001 0.000 0.297 416 H C 1.271 176.633 175.328 0.058 0.000 1.092 416 H CA 1.905 57.984 56.048 0.051 0.000 1.309 416 H CB 0.033 29.817 29.762 0.037 0.000 1.382 416 H HN 0.130 nan 8.280 nan 0.000 0.535 417 D N 0.521 120.996 120.400 0.125 0.000 2.213 417 D HA -0.019 4.622 4.640 0.001 0.000 0.205 417 D C 0.348 176.652 176.300 0.008 0.000 0.961 417 D CA 0.434 54.471 54.000 0.061 0.000 0.853 417 D CB 0.090 41.015 40.800 0.208 0.000 0.967 417 D HN 0.190 nan 8.370 nan 0.000 0.496 418 V N 2.416 122.366 119.914 0.060 0.000 2.521 418 V HA 0.025 4.146 4.120 0.001 0.000 0.286 418 V C 0.726 176.801 176.094 -0.031 0.000 1.034 418 V CA -0.156 62.165 62.300 0.034 0.000 1.045 418 V CB 0.776 32.654 31.823 0.092 0.000 0.974 418 V HN -0.049 nan 8.190 nan 0.000 0.480 419 I N 6.016 126.553 120.570 -0.055 0.000 2.395 419 I HA 0.321 4.492 4.170 0.001 0.000 0.289 419 I C 0.382 176.430 176.117 -0.114 0.000 1.023 419 I CA 0.102 61.341 61.300 -0.102 0.000 1.350 419 I CB 0.609 38.561 38.000 -0.081 0.000 1.409 419 I HN 0.545 nan 8.210 nan 0.000 0.507 420 K N 6.237 126.546 120.400 -0.151 0.000 2.579 420 K HA 0.336 4.657 4.320 0.001 0.000 0.250 420 K C -1.852 174.691 176.600 -0.095 0.000 0.952 420 K CA -0.631 55.602 56.287 -0.090 0.000 0.857 420 K CB 1.422 33.904 32.500 -0.030 0.000 1.123 420 K HN 0.341 nan 8.250 nan 0.000 0.433 421 W N 2.279 123.428 121.300 -0.252 0.000 2.433 421 W HA 0.431 5.091 4.660 0.001 0.000 0.315 421 W C -0.060 176.436 176.519 -0.038 0.000 1.087 421 W CA -0.717 56.565 57.345 -0.107 0.000 1.205 421 W CB 0.993 30.431 29.460 -0.037 0.000 1.288 421 W HN 0.086 nan 8.180 nan 0.000 0.504 422 V N 3.922 123.966 119.914 0.215 0.000 2.630 422 V HA 0.647 4.768 4.120 0.001 0.000 0.305 422 V C -0.109 176.052 176.094 0.113 0.000 1.046 422 V CA -1.253 61.111 62.300 0.107 0.000 0.934 422 V CB 1.729 33.576 31.823 0.039 0.000 1.003 422 V HN 0.568 nan 8.190 nan 0.000 0.451 423 R N 2.136 122.623 120.500 -0.022 0.000 2.771 423 R HA 0.558 4.899 4.340 0.001 0.000 0.274 423 R C -2.200 173.998 176.300 -0.171 0.000 0.987 423 R CA -0.640 55.468 56.100 0.014 0.000 0.908 423 R CB 2.035 32.379 30.300 0.072 0.000 1.213 423 R HN 0.644 nan 8.270 nan 0.000 0.468 424 Y N 3.571 123.912 120.300 0.068 0.000 2.332 424 Y HA 0.447 4.998 4.550 0.001 0.000 0.326 424 Y C -0.354 175.543 175.900 -0.006 0.000 0.978 424 Y CA -0.620 57.506 58.100 0.043 0.000 1.205 424 Y CB 1.644 40.149 38.460 0.074 0.000 1.131 424 Y HN 0.301 nan 8.280 nan 0.000 0.462 425 I N 3.549 124.165 120.570 0.077 0.000 2.355 425 I HA 0.518 4.689 4.170 0.001 0.000 0.288 425 I C 0.425 176.521 176.117 -0.035 0.000 0.999 425 I CA -0.640 60.662 61.300 0.004 0.000 1.163 425 I CB 1.488 39.473 38.000 -0.026 0.000 1.316 425 I HN 0.729 nan 8.210 nan 0.000 0.454 426 G N 6.328 115.061 108.800 -0.111 0.000 2.415 426 G HA2 0.715 4.675 3.960 0.001 0.000 0.327 426 G HA3 0.715 4.675 3.960 0.001 0.000 0.327 426 G C -0.619 174.209 174.900 -0.119 0.000 1.182 426 G CA -0.578 44.429 45.100 -0.154 0.000 0.924 426 G HN 0.533 nan 8.290 nan 0.000 0.470 427 R N 0.667 121.097 120.500 -0.117 0.000 2.725 427 R HA 0.448 4.788 4.340 0.001 0.000 0.277 427 R C -0.138 175.945 176.300 -0.363 0.000 0.987 427 R CA -0.704 55.275 56.100 -0.201 0.000 0.901 427 R CB 2.208 32.400 30.300 -0.179 0.000 1.207 427 R HN 0.719 nan 8.270 nan 0.000 0.463 428 S N 0.116 115.341 115.700 -0.792 0.000 2.549 428 S HA 0.276 4.747 4.470 0.001 0.000 0.283 428 S C 0.648 175.007 174.600 -0.402 0.000 1.320 428 S CA -0.381 57.263 58.200 -0.927 0.000 1.058 428 S CB 1.503 63.860 63.200 -1.404 0.000 0.882 428 S HN 0.770 nan 8.310 nan 0.000 0.498 429 G N 1.463 110.124 108.800 -0.232 0.000 3.434 429 G HA2 0.453 4.414 3.960 0.001 0.000 0.192 429 G HA3 0.453 4.414 3.960 0.001 0.000 0.192 429 G C -0.247 174.601 174.900 -0.085 0.000 1.704 429 G CA -0.967 44.049 45.100 -0.140 0.000 0.936 429 G HN 0.733 nan 8.290 nan 0.000 0.623 430 I N 0.854 121.399 120.570 -0.041 0.000 2.269 430 I HA 0.225 4.396 4.170 0.001 0.000 0.293 430 I C -1.304 174.837 176.117 0.040 0.000 1.106 430 I CA -0.148 61.150 61.300 -0.003 0.000 1.248 430 I CB 0.562 38.563 38.000 0.001 0.000 1.444 430 I HN 0.265 nan 8.210 nan 0.000 0.497 431 Y N 6.425 126.679 120.300 -0.076 0.000 2.575 431 Y HA 0.415 4.966 4.550 0.002 0.000 0.326 431 Y C -0.226 175.682 175.900 0.013 0.000 0.979 431 Y CA -0.429 57.658 58.100 -0.021 0.000 1.286 431 Y CB 0.690 39.136 38.460 -0.023 0.000 1.093 431 Y HN 0.508 nan 8.280 nan 0.000 0.501 432 E N 3.008 123.190 120.200 -0.030 0.000 2.248 432 E HA 0.451 4.802 4.350 0.001 0.000 0.267 432 E C -1.105 175.474 176.600 -0.034 0.000 0.877 432 E CA -0.921 55.482 56.400 0.004 0.000 0.759 432 E CB 2.110 31.806 29.700 -0.006 0.000 1.182 432 E HN 0.373 nan 8.360 nan 0.000 0.418 433 T N 2.439 117.003 114.554 0.017 0.000 2.841 433 T HA 0.334 4.685 4.350 0.001 0.000 0.285 433 T C -0.109 174.597 174.700 0.011 0.000 0.991 433 T CA -0.786 61.320 62.100 0.010 0.000 0.966 433 T CB 1.026 69.922 68.868 0.047 0.000 0.962 433 T HN 0.248 nan 8.240 nan 0.000 0.438 434 R N 1.111 121.604 120.500 -0.011 0.000 2.679 434 R HA 0.416 4.757 4.340 0.001 0.000 0.268 434 R C 0.507 176.799 176.300 -0.014 0.000 1.044 434 R CA -0.192 55.893 56.100 -0.025 0.000 1.105 434 R CB 0.106 30.384 30.300 -0.037 0.000 0.989 434 R HN 0.870 nan 8.270 nan 0.000 0.447 435 C N 0.000 119.281 119.300 -0.032 0.000 2.653 435 C HA 0.000 4.461 4.460 0.001 0.000 0.325 435 C CA 0.000 59.008 59.018 -0.016 0.000 1.963 435 C CB 0.000 27.752 27.740 0.021 0.000 2.134 435 C HN 0.000 nan 8.230 nan 0.000 0.568