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 1hck_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRXXXX TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.191 55.300 -0.182 0.000 0.988 1 M CB 0.000 32.422 32.600 -0.297 0.000 1.302 2 E N 1.118 121.289 120.200 -0.048 0.000 2.171 2 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 2 E C 0.205 176.740 176.600 -0.110 0.000 0.997 2 E CA 2.502 58.864 56.400 -0.062 0.000 0.810 2 E CB -0.261 29.404 29.700 -0.059 0.000 0.738 2 E HN 0.737 nan 8.360 nan 0.000 0.467 3 N N -0.650 117.946 118.700 -0.174 0.000 2.336 3 N HA 0.166 4.906 4.740 -0.000 0.000 0.189 3 N C -1.046 174.013 175.510 -0.752 0.000 1.113 3 N CA 0.162 52.943 53.050 -0.450 0.000 0.858 3 N CB 0.286 38.415 38.487 -0.596 0.000 0.970 3 N HN 0.060 nan 8.380 nan 0.000 0.471 4 F N 0.816 120.697 119.950 -0.115 0.000 2.529 4 F HA 0.305 4.832 4.527 -0.000 0.000 0.320 4 F C -0.285 175.448 175.800 -0.112 0.000 1.118 4 F CA -1.327 56.607 58.000 -0.110 0.000 0.915 4 F CB 1.532 40.456 39.000 -0.125 0.000 1.161 4 F HN -0.096 nan 8.300 nan 0.000 0.445 5 Q N 2.710 122.551 119.800 0.069 0.000 2.398 5 Q HA 0.414 4.754 4.340 -0.000 0.000 0.251 5 Q C -1.094 174.912 176.000 0.010 0.000 0.999 5 Q CA -0.892 54.916 55.803 0.007 0.000 0.874 5 Q CB 1.135 29.861 28.738 -0.019 0.000 1.215 5 Q HN 0.530 nan 8.270 nan 0.000 0.470 6 K N 2.255 122.631 120.400 -0.039 0.000 2.416 6 K HA 0.056 4.376 4.320 -0.000 0.000 0.283 6 K C 0.331 176.912 176.600 -0.032 0.000 1.037 6 K CA -0.223 56.021 56.287 -0.072 0.000 0.995 6 K CB 1.267 33.614 32.500 -0.255 0.000 0.938 6 K HN 0.482 nan 8.250 nan 0.000 0.475 7 V N 2.578 122.493 119.914 0.001 0.000 2.492 7 V HA -0.027 4.093 4.120 -0.000 0.000 0.241 7 V C 0.398 176.518 176.094 0.044 0.000 1.041 7 V CA 1.172 63.475 62.300 0.005 0.000 1.057 7 V CB -0.102 31.703 31.823 -0.030 0.000 0.711 7 V HN 0.790 nan 8.190 nan 0.000 0.468 8 E N -1.393 118.866 120.200 0.099 0.000 2.437 8 E HA 0.347 4.697 4.350 -0.000 0.000 0.280 8 E C -1.120 175.639 176.600 0.265 0.000 1.044 8 E CA -0.777 55.710 56.400 0.146 0.000 0.826 8 E CB 2.193 31.953 29.700 0.099 0.000 1.358 8 E HN 0.073 nan 8.360 nan 0.000 0.459 9 K N 2.178 122.707 120.400 0.215 0.000 2.292 9 K HA 0.319 4.639 4.320 -0.000 0.000 0.270 9 K C 0.351 176.960 176.600 0.016 0.000 1.062 9 K CA -0.084 56.252 56.287 0.082 0.000 0.916 9 K CB 0.311 32.849 32.500 0.064 0.000 1.166 9 K HN 0.521 nan 8.250 nan 0.000 0.458 10 I N 2.419 122.984 120.570 -0.008 0.000 2.394 10 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 10 I C 1.222 177.325 176.117 -0.023 0.000 1.136 10 I CA 1.079 62.391 61.300 0.020 0.000 1.425 10 I CB 0.016 38.045 38.000 0.049 0.000 1.079 10 I HN 0.866 nan 8.210 nan 0.000 0.425 11 G N 0.051 108.801 108.800 -0.082 0.000 2.323 11 G HA2 0.325 4.285 3.960 -0.000 0.000 0.291 11 G HA3 0.325 4.285 3.960 -0.000 0.000 0.291 11 G C -1.668 173.183 174.900 -0.081 0.000 1.278 11 G CA -0.698 44.365 45.100 -0.063 0.000 0.860 11 G HN 0.110 nan 8.290 nan 0.000 0.504 12 E N -1.055 119.138 120.200 -0.012 0.000 2.308 12 E HA 0.586 4.936 4.350 -0.000 0.000 0.275 12 E C -0.020 176.621 176.600 0.069 0.000 0.890 12 E CA -0.618 55.837 56.400 0.092 0.000 0.754 12 E CB 2.425 32.278 29.700 0.256 0.000 1.207 12 E HN 0.835 nan 8.360 nan 0.000 0.426 13 G N -0.242 108.615 108.800 0.095 0.000 3.251 13 G HA2 0.299 4.259 3.960 -0.000 0.000 0.248 13 G HA3 0.299 4.259 3.960 -0.000 0.000 0.248 13 G C 0.799 175.730 174.900 0.051 0.000 1.320 13 G CA 0.039 45.155 45.100 0.027 0.000 0.982 13 G HN 0.497 nan 8.290 nan 0.000 0.575 14 T N -2.689 111.805 114.554 -0.100 0.000 2.904 14 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 14 T C 1.523 176.129 174.700 -0.156 0.000 1.059 14 T CA 1.391 63.370 62.100 -0.203 0.000 1.137 14 T CB -0.298 68.318 68.868 -0.421 0.000 0.879 14 T HN 0.256 nan 8.240 nan 0.000 0.467 15 Y N 2.239 122.548 120.300 0.016 0.000 2.466 15 Y HA 0.542 5.092 4.550 -0.000 0.000 0.272 15 Y C 1.609 177.408 175.900 -0.168 0.000 1.169 15 Y CA -0.545 57.520 58.100 -0.058 0.000 1.285 15 Y CB -0.034 38.432 38.460 0.009 0.000 1.078 15 Y HN 0.678 nan 8.280 nan 0.000 0.523 16 G N -1.013 107.740 108.800 -0.079 0.000 2.359 16 G HA2 0.120 4.080 3.960 -0.000 0.000 0.303 16 G HA3 0.120 4.080 3.960 -0.000 0.000 0.303 16 G C -1.687 172.886 174.900 -0.546 0.000 1.293 16 G CA -0.861 43.917 45.100 -0.537 0.000 0.964 16 G HN -0.112 nan 8.290 nan 0.000 0.531 17 V N -0.322 119.187 119.914 -0.676 0.000 2.607 17 V HA 0.602 4.722 4.120 -0.000 0.000 0.289 17 V C 0.652 176.492 176.094 -0.422 0.000 1.053 17 V CA -0.679 61.327 62.300 -0.490 0.000 0.996 17 V CB 1.345 32.836 31.823 -0.553 0.000 0.995 17 V HN 0.856 nan 8.190 nan 0.000 0.476 18 V N 4.539 124.213 119.914 -0.400 0.000 2.417 18 V HA 0.509 4.629 4.120 -0.000 0.000 0.291 18 V C -0.937 174.922 176.094 -0.390 0.000 1.024 18 V CA -0.597 61.554 62.300 -0.249 0.000 0.861 18 V CB 1.106 32.870 31.823 -0.097 0.000 0.985 18 V HN 0.738 nan 8.190 nan 0.000 0.436 19 Y N 2.243 122.568 120.300 0.043 0.000 2.485 19 Y HA 0.517 5.067 4.550 -0.000 0.000 0.345 19 Y C 0.201 176.122 175.900 0.035 0.000 0.998 19 Y CA -1.046 57.074 58.100 0.033 0.000 1.059 19 Y CB 1.858 40.324 38.460 0.010 0.000 1.234 19 Y HN 0.514 nan 8.280 nan 0.000 0.461 20 K N 1.923 122.434 120.400 0.184 0.000 2.205 20 K HA 0.809 5.129 4.320 -0.000 0.000 0.279 20 K C -1.091 175.519 176.600 0.017 0.000 1.027 20 K CA -0.225 56.069 56.287 0.013 0.000 0.932 20 K CB 0.518 32.944 32.500 -0.124 0.000 1.032 20 K HN 0.826 nan 8.250 nan 0.000 0.466 21 A N 3.902 126.707 122.820 -0.026 0.000 2.572 21 A HA 0.495 4.815 4.320 -0.000 0.000 0.295 21 A C -1.486 176.126 177.584 0.046 0.000 1.072 21 A CA -0.903 51.151 52.037 0.027 0.000 0.691 21 A CB 1.482 20.512 19.000 0.049 0.000 1.291 21 A HN 0.836 nan 8.150 nan 0.000 0.404 22 R N 1.671 122.216 120.500 0.075 0.000 2.445 22 R HA 0.314 4.654 4.340 -0.000 0.000 0.308 22 R C -0.875 175.480 176.300 0.092 0.000 0.961 22 R CA -0.640 55.494 56.100 0.056 0.000 0.862 22 R CB 0.899 31.193 30.300 -0.010 0.000 1.144 22 R HN 0.804 nan 8.270 nan 0.000 0.447 23 N N 3.403 122.145 118.700 0.071 0.000 2.475 23 N HA -0.003 4.737 4.740 -0.000 0.000 0.267 23 N C -0.118 175.278 175.510 -0.190 0.000 1.169 23 N CA 0.381 53.331 53.050 -0.167 0.000 0.947 23 N CB 1.260 39.701 38.487 -0.077 0.000 1.061 23 N HN 0.629 nan 8.380 nan 0.000 0.466 24 K N 2.456 122.686 120.400 -0.282 0.000 2.296 24 K HA -0.039 4.281 4.320 -0.000 0.000 0.200 24 K C 1.452 177.956 176.600 -0.160 0.000 1.048 24 K CA 0.827 57.003 56.287 -0.184 0.000 0.966 24 K CB 0.020 32.413 32.500 -0.178 0.000 0.754 24 K HN 0.562 nan 8.250 nan 0.000 0.466 25 L N -1.694 119.409 121.223 -0.199 0.000 2.558 25 L HA 0.164 4.504 4.340 -0.000 0.000 0.225 25 L C 1.324 178.134 176.870 -0.100 0.000 1.128 25 L CA 0.934 55.689 54.840 -0.141 0.000 0.868 25 L CB -0.078 41.890 42.059 -0.152 0.000 1.006 25 L HN -0.011 nan 8.230 nan 0.000 0.454 26 T N -6.375 108.121 114.554 -0.097 0.000 3.046 26 T HA 0.426 4.776 4.350 -0.000 0.000 0.270 26 T C 1.482 176.159 174.700 -0.037 0.000 0.920 26 T CA 0.344 62.411 62.100 -0.055 0.000 0.874 26 T CB 0.326 69.172 68.868 -0.037 0.000 1.214 26 T HN 0.456 nan 8.240 nan 0.000 0.536 27 G N 2.764 111.536 108.800 -0.047 0.000 2.220 27 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.269 27 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.269 27 G C -0.018 174.875 174.900 -0.011 0.000 0.977 27 G CA 0.593 45.675 45.100 -0.030 0.000 0.634 27 G HN 1.083 nan 8.290 nan 0.000 0.539 28 E N 0.389 120.591 120.200 0.003 0.000 2.373 28 E HA 0.458 4.808 4.350 -0.000 0.000 0.267 28 E C 0.541 177.157 176.600 0.027 0.000 1.032 28 E CA -0.372 56.043 56.400 0.024 0.000 0.889 28 E CB 1.755 31.480 29.700 0.042 0.000 0.984 28 E HN 0.990 nan 8.360 nan 0.000 0.425 29 V N 1.157 121.072 119.914 0.002 0.000 2.465 29 V HA 0.556 4.676 4.120 -0.000 0.000 0.279 29 V C 0.181 176.271 176.094 -0.007 0.000 1.045 29 V CA -0.492 61.763 62.300 -0.075 0.000 0.938 29 V CB 0.749 32.419 31.823 -0.255 0.000 0.986 29 V HN 0.659 nan 8.190 nan 0.000 0.467 30 V N 1.808 121.732 119.914 0.017 0.000 3.156 30 V HA 1.045 5.165 4.120 -0.000 0.000 0.311 30 V C 0.158 176.341 176.094 0.148 0.000 1.208 30 V CA -0.606 61.771 62.300 0.129 0.000 1.063 30 V CB 1.472 33.370 31.823 0.125 0.000 1.098 30 V HN 1.653 nan 8.190 nan 0.000 0.452 31 A N 1.485 124.451 122.820 0.243 0.000 2.288 31 A HA 0.841 5.161 4.320 -0.000 0.000 0.320 31 A C -0.993 176.704 177.584 0.189 0.000 1.217 31 A CA -0.456 51.742 52.037 0.268 0.000 0.840 31 A CB 0.915 20.098 19.000 0.304 0.000 1.179 31 A HN 1.289 nan 8.150 nan 0.000 0.504 32 L N 2.303 123.602 121.223 0.127 0.000 2.305 32 L HA 0.568 4.908 4.340 -0.000 0.000 0.284 32 L C -0.077 176.893 176.870 0.168 0.000 1.013 32 L CA -0.211 54.662 54.840 0.055 0.000 0.819 32 L CB 1.377 43.386 42.059 -0.084 0.000 1.227 32 L HN 0.646 nan 8.230 nan 0.000 0.417 33 K N 5.183 125.695 120.400 0.186 0.000 2.367 33 K HA 0.383 4.703 4.320 -0.000 0.000 0.263 33 K C -0.813 175.851 176.600 0.107 0.000 1.000 33 K CA -0.531 55.850 56.287 0.156 0.000 0.891 33 K CB 0.684 33.331 32.500 0.246 0.000 1.117 33 K HN 0.523 nan 8.250 nan 0.000 0.443 34 K N 4.812 125.252 120.400 0.066 0.000 2.349 34 K HA 0.176 4.496 4.320 -0.000 0.000 0.288 34 K C 0.045 176.506 176.600 -0.231 0.000 1.058 34 K CA -0.516 55.709 56.287 -0.104 0.000 0.953 34 K CB 0.637 33.123 32.500 -0.022 0.000 0.997 34 K HN 0.456 nan 8.250 nan 0.000 0.477 35 I N 3.644 124.034 120.570 -0.300 0.000 2.474 35 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 35 I C 1.375 177.289 176.117 -0.338 0.000 1.048 35 I CA -0.151 60.949 61.300 -0.333 0.000 1.383 35 I CB 0.726 38.452 38.000 -0.457 0.000 1.412 35 I HN 0.661 nan 8.210 nan 0.000 0.531 42 E N 0.892 121.108 120.200 0.028 0.000 2.810 42 E HA 0.431 4.781 4.350 -0.000 0.000 0.214 42 E C 1.007 177.638 176.600 0.051 0.000 0.980 42 E CA -0.043 56.377 56.400 0.033 0.000 1.159 42 E CB 0.497 30.214 29.700 0.028 0.000 1.047 42 E HN 0.917 nan 8.360 nan 0.000 0.484 43 G N 0.791 109.634 108.800 0.072 0.000 2.143 43 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.175 43 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.175 43 G C 0.182 175.193 174.900 0.185 0.000 1.004 43 G CA -0.402 44.780 45.100 0.137 0.000 0.671 43 G HN 0.692 nan 8.290 nan 0.000 0.512 44 V N -1.216 118.736 119.914 0.063 0.000 3.419 44 V HA -0.130 3.990 4.120 -0.000 0.000 0.488 44 V C -1.428 174.618 176.094 -0.080 0.000 0.682 44 V CA 0.059 62.313 62.300 -0.076 0.000 2.031 44 V CB -0.684 30.907 31.823 -0.386 0.000 2.473 44 V HN 0.544 nan 8.190 nan 0.000 0.503 45 P HA 0.115 nan 4.420 nan 0.000 0.258 45 P C 1.063 178.341 177.300 -0.035 0.000 1.187 45 P CA 0.925 64.018 63.100 -0.012 0.000 0.767 45 P CB 0.658 32.370 31.700 0.019 0.000 0.770 46 S N 1.874 117.562 115.700 -0.021 0.000 2.400 46 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 46 S C 1.765 176.350 174.600 -0.024 0.000 1.025 46 S CA 1.890 60.078 58.200 -0.020 0.000 0.993 46 S CB -1.560 61.640 63.200 0.001 0.000 0.808 46 S HN 0.577 nan 8.310 nan 0.000 0.478 47 T N 0.893 115.436 114.554 -0.018 0.000 2.708 47 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 47 T C 2.064 176.736 174.700 -0.046 0.000 1.037 47 T CA 1.187 63.273 62.100 -0.023 0.000 1.146 47 T CB -1.082 67.779 68.868 -0.011 0.000 0.865 47 T HN 0.562 nan 8.240 nan 0.000 0.435 48 A N 2.576 125.369 122.820 -0.044 0.000 1.883 48 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 48 A C 2.424 179.948 177.584 -0.101 0.000 1.186 48 A CA 2.034 54.023 52.037 -0.080 0.000 0.624 48 A CB -0.983 18.043 19.000 0.045 0.000 0.822 48 A HN 0.837 nan 8.150 nan 0.000 0.444 49 I N -1.951 118.574 120.570 -0.074 0.000 2.454 49 I HA -0.143 4.027 4.170 -0.000 0.000 0.254 49 I C 1.967 178.050 176.117 -0.057 0.000 1.156 49 I CA 1.705 62.960 61.300 -0.074 0.000 1.433 49 I CB -0.404 37.537 38.000 -0.098 0.000 1.082 49 I HN 0.157 nan 8.210 nan 0.000 0.432 50 R N 0.400 120.869 120.500 -0.052 0.000 2.161 50 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 50 R C 2.009 178.278 176.300 -0.051 0.000 1.055 50 R CA 0.731 56.807 56.100 -0.038 0.000 0.996 50 R CB -0.221 30.063 30.300 -0.026 0.000 0.901 50 R HN 0.397 nan 8.270 nan 0.000 0.456 51 E N 0.718 120.870 120.200 -0.080 0.000 2.107 51 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 51 E C 1.998 178.535 176.600 -0.104 0.000 0.982 51 E CA 0.782 57.126 56.400 -0.094 0.000 0.809 51 E CB 0.066 29.683 29.700 -0.138 0.000 0.756 51 E HN 0.213 nan 8.360 nan 0.000 0.459 52 I N 1.199 121.691 120.570 -0.130 0.000 2.252 52 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 52 I C 2.077 178.157 176.117 -0.061 0.000 1.102 52 I CA 1.003 62.236 61.300 -0.112 0.000 1.385 52 I CB -1.236 36.699 38.000 -0.109 0.000 1.064 52 I HN -0.062 nan 8.210 nan 0.000 0.414 53 S N 0.924 116.594 115.700 -0.049 0.000 2.469 53 S HA -0.032 4.438 4.470 -0.000 0.000 0.238 53 S C 2.075 176.662 174.600 -0.023 0.000 0.998 53 S CA 0.739 58.921 58.200 -0.030 0.000 0.957 53 S CB -0.200 62.988 63.200 -0.019 0.000 0.764 53 S HN 0.378 nan 8.310 nan 0.000 0.514 54 L N 0.823 122.030 121.223 -0.026 0.000 2.072 54 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 54 L C 2.045 178.906 176.870 -0.015 0.000 1.079 54 L CA 0.968 55.797 54.840 -0.017 0.000 0.752 54 L CB -0.537 41.512 42.059 -0.018 0.000 0.906 54 L HN 0.331 nan 8.230 nan 0.000 0.436 55 L N -0.308 120.906 121.223 -0.014 0.000 2.131 55 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 55 L C 2.430 179.305 176.870 0.008 0.000 1.092 55 L CA 1.240 56.083 54.840 0.005 0.000 0.759 55 L CB -0.642 41.434 42.059 0.027 0.000 0.903 55 L HN 0.231 nan 8.230 nan 0.000 0.435 56 K N 0.349 120.745 120.400 -0.007 0.000 2.218 56 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 56 K C 1.664 178.264 176.600 -0.001 0.000 1.046 56 K CA 1.388 57.669 56.287 -0.009 0.000 0.933 56 K CB -0.076 32.413 32.500 -0.019 0.000 0.728 56 K HN 0.284 nan 8.250 nan 0.000 0.454 57 E N 0.159 120.359 120.200 -0.001 0.000 2.474 57 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 57 E C -0.453 176.152 176.600 0.009 0.000 1.041 57 E CA -0.013 56.389 56.400 0.003 0.000 0.874 57 E CB 0.376 30.078 29.700 0.003 0.000 0.914 57 E HN 0.001 nan 8.360 nan 0.000 0.498 58 L N 2.338 123.566 121.223 0.008 0.000 2.358 58 L HA 0.239 4.579 4.340 -0.000 0.000 0.274 58 L C -1.187 175.729 176.870 0.077 0.000 1.136 58 L CA -0.149 54.721 54.840 0.050 0.000 0.970 58 L CB -0.141 41.913 42.059 -0.009 0.000 1.314 58 L HN -0.110 nan 8.230 nan 0.000 0.427 59 N N 2.891 121.604 118.700 0.022 0.000 2.400 59 N HA 0.428 5.168 4.740 -0.000 0.000 0.288 59 N C -1.190 174.100 175.510 -0.366 0.000 1.024 59 N CA -0.486 52.497 53.050 -0.112 0.000 0.894 59 N CB 1.389 39.832 38.487 -0.074 0.000 1.173 59 N HN 0.553 nan 8.380 nan 0.000 0.487 60 H N 0.826 119.607 119.070 -0.481 0.000 3.046 60 H HA 0.305 4.861 4.556 -0.000 0.000 0.363 60 H C -2.061 173.072 175.328 -0.324 0.000 1.203 60 H CA -1.231 54.448 56.048 -0.615 0.000 1.169 60 H CB 2.242 31.398 29.762 -1.009 0.000 1.851 60 H HN 0.243 nan 8.280 nan 0.000 0.546 61 P HA -0.093 nan 4.420 nan 0.000 0.223 61 P C -0.279 176.946 177.300 -0.126 0.000 1.144 61 P CA 1.146 64.047 63.100 -0.331 0.000 0.783 61 P CB 0.304 31.775 31.700 -0.383 0.000 0.771 62 N N -0.783 117.973 118.700 0.092 0.000 2.234 62 N HA 0.152 4.892 4.740 -0.000 0.000 0.227 62 N C -0.275 175.267 175.510 0.054 0.000 1.151 62 N CA -0.101 53.005 53.050 0.093 0.000 0.865 62 N CB 0.397 38.946 38.487 0.104 0.000 1.066 62 N HN 0.051 nan 8.380 nan 0.000 0.515 63 I N 1.315 121.909 120.570 0.039 0.000 2.418 63 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 63 I C 0.082 176.217 176.117 0.030 0.000 1.008 63 I CA -0.967 60.348 61.300 0.024 0.000 1.104 63 I CB 1.608 39.590 38.000 -0.030 0.000 1.264 63 I HN -0.248 nan 8.210 nan 0.000 0.438 64 V N 6.525 126.467 119.914 0.046 0.000 2.458 64 V HA -0.042 4.078 4.120 -0.000 0.000 0.287 64 V C 0.982 177.166 176.094 0.150 0.000 1.009 64 V CA -0.098 62.232 62.300 0.050 0.000 1.091 64 V CB 0.057 31.862 31.823 -0.030 0.000 0.960 64 V HN 0.662 nan 8.190 nan 0.000 0.476 65 K N 4.744 125.227 120.400 0.140 0.000 2.416 65 K HA 0.151 4.471 4.320 -0.000 0.000 0.283 65 K C -0.372 176.374 176.600 0.244 0.000 1.037 65 K CA -0.669 55.709 56.287 0.150 0.000 0.995 65 K CB 0.480 33.023 32.500 0.072 0.000 0.938 65 K HN 0.522 nan 8.250 nan 0.000 0.475 66 L N 7.235 128.563 121.223 0.176 0.000 2.363 66 L HA 0.118 4.458 4.340 -0.000 0.000 0.286 66 L C 0.473 177.288 176.870 -0.091 0.000 1.106 66 L CA 0.326 55.130 54.840 -0.061 0.000 0.859 66 L CB 0.301 42.312 42.059 -0.080 0.000 1.223 66 L HN 0.824 nan 8.230 nan 0.000 0.446 67 L N 2.790 123.947 121.223 -0.110 0.000 1.993 67 L HA 0.122 4.462 4.340 -0.000 0.000 0.206 67 L C 0.419 177.250 176.870 -0.066 0.000 1.074 67 L CA 0.906 55.717 54.840 -0.048 0.000 0.746 67 L CB -0.155 41.903 42.059 -0.001 0.000 0.896 67 L HN 0.590 nan 8.230 nan 0.000 0.435 68 D N -1.392 118.941 120.400 -0.111 0.000 2.581 68 D HA 0.403 5.043 4.640 -0.000 0.000 0.232 68 D C -1.385 174.845 176.300 -0.117 0.000 1.143 68 D CA -0.212 53.746 54.000 -0.071 0.000 0.881 68 D CB 3.699 44.506 40.800 0.012 0.000 1.500 68 D HN -0.235 nan 8.370 nan 0.000 0.458 69 V N 2.032 121.917 119.914 -0.049 0.000 2.531 69 V HA 0.542 4.662 4.120 -0.000 0.000 0.301 69 V C -1.176 174.950 176.094 0.053 0.000 1.034 69 V CA -0.416 61.871 62.300 -0.021 0.000 0.865 69 V CB 1.307 33.116 31.823 -0.023 0.000 0.995 69 V HN 0.432 nan 8.190 nan 0.000 0.424 70 I N 7.201 127.838 120.570 0.112 0.000 2.466 70 I HA 0.396 4.566 4.170 -0.000 0.000 0.279 70 I C -0.388 175.885 176.117 0.260 0.000 1.033 70 I CA -0.373 61.029 61.300 0.170 0.000 1.123 70 I CB 1.208 39.308 38.000 0.166 0.000 1.237 70 I HN 0.684 nan 8.210 nan 0.000 0.460 71 H N 6.670 125.797 119.070 0.094 0.000 2.746 71 H HA 0.385 4.941 4.556 -0.000 0.000 0.269 71 H C -0.833 174.545 175.328 0.083 0.000 1.248 71 H CA -0.371 55.724 56.048 0.079 0.000 1.258 71 H CB 0.610 30.400 29.762 0.046 0.000 1.441 71 H HN 0.622 nan 8.280 nan 0.000 0.508 72 T N 1.042 115.602 114.554 0.009 0.000 2.887 72 T HA 0.208 4.558 4.350 -0.000 0.000 0.288 72 T C 0.291 174.945 174.700 -0.076 0.000 1.021 72 T CA -0.926 61.143 62.100 -0.052 0.000 1.000 72 T CB 1.919 70.812 68.868 0.042 0.000 1.034 72 T HN 0.580 nan 8.240 nan 0.000 0.467 73 E N 0.965 121.103 120.200 -0.103 0.000 2.883 73 E HA -0.239 4.111 4.350 -0.000 0.000 0.271 73 E C 0.120 176.656 176.600 -0.106 0.000 1.049 73 E CA 0.816 57.176 56.400 -0.066 0.000 0.817 73 E CB -2.014 27.692 29.700 0.009 0.000 1.407 73 E HN 0.772 nan 8.360 nan 0.000 0.434 74 N N -1.128 117.383 118.700 -0.315 0.000 2.780 74 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 74 N C -0.722 174.837 175.510 0.083 0.000 1.102 74 N CA 1.237 54.118 53.050 -0.282 0.000 0.697 74 N CB -0.275 38.205 38.487 -0.012 0.000 1.028 74 N HN 0.158 nan 8.380 nan 0.000 0.554 75 K N 0.561 121.004 120.400 0.072 0.000 2.318 75 K HA 0.536 4.856 4.320 -0.000 0.000 0.249 75 K C 0.018 176.729 176.600 0.185 0.000 0.942 75 K CA -0.535 55.807 56.287 0.091 0.000 0.808 75 K CB 1.850 34.346 32.500 -0.006 0.000 1.189 75 K HN 0.073 nan 8.250 nan 0.000 0.428 76 L N 3.380 124.559 121.223 -0.074 0.000 2.305 76 L HA 0.430 4.770 4.340 -0.000 0.000 0.284 76 L C -1.206 175.507 176.870 -0.262 0.000 1.013 76 L CA -0.828 53.975 54.840 -0.061 0.000 0.819 76 L CB 0.760 42.775 42.059 -0.074 0.000 1.227 76 L HN 0.528 nan 8.230 nan 0.000 0.417 77 Y N 4.024 124.332 120.300 0.012 0.000 2.406 77 Y HA 0.502 5.052 4.550 -0.000 0.000 0.340 77 Y C -0.363 175.494 175.900 -0.072 0.000 0.975 77 Y CA -0.636 57.442 58.100 -0.036 0.000 1.056 77 Y CB 1.993 40.415 38.460 -0.064 0.000 1.210 77 Y HN 0.317 nan 8.280 nan 0.000 0.448 78 L N 4.353 125.611 121.223 0.058 0.000 2.313 78 L HA 0.669 5.009 4.340 -0.000 0.000 0.283 78 L C -0.895 175.827 176.870 -0.247 0.000 1.013 78 L CA -1.166 53.580 54.840 -0.157 0.000 0.816 78 L CB 1.499 43.452 42.059 -0.177 0.000 1.236 78 L HN 0.314 nan 8.230 nan 0.000 0.419 79 V N 3.527 123.223 119.914 -0.364 0.000 2.347 79 V HA 0.438 4.558 4.120 -0.000 0.000 0.280 79 V C -0.345 175.551 176.094 -0.330 0.000 1.021 79 V CA -0.266 61.881 62.300 -0.255 0.000 0.847 79 V CB 0.972 32.689 31.823 -0.177 0.000 0.990 79 V HN 0.392 nan 8.190 nan 0.000 0.444 80 F N 2.048 122.015 119.950 0.029 0.000 2.575 80 F HA 0.505 5.032 4.527 -0.000 0.000 0.330 80 F C 0.732 176.573 175.800 0.068 0.000 1.056 80 F CA -1.099 56.928 58.000 0.045 0.000 0.964 80 F CB 1.346 40.371 39.000 0.042 0.000 1.258 80 F HN 0.623 nan 8.300 nan 0.000 0.484 81 E N 0.845 121.214 120.200 0.281 0.000 2.398 81 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 81 E C -1.282 175.448 176.600 0.216 0.000 1.046 81 E CA -0.343 56.178 56.400 0.201 0.000 0.908 81 E CB 0.813 30.592 29.700 0.132 0.000 0.963 81 E HN 0.482 nan 8.360 nan 0.000 0.431 82 F N 2.966 122.940 119.950 0.040 0.000 2.408 82 F HA 0.430 4.957 4.527 -0.000 0.000 0.344 82 F C -1.484 174.287 175.800 -0.048 0.000 1.112 82 F CA -0.929 57.060 58.000 -0.017 0.000 1.096 82 F CB 0.714 39.686 39.000 -0.047 0.000 1.129 82 F HN 0.372 nan 8.300 nan 0.000 0.486 83 L N 6.280 127.017 121.223 -0.809 0.000 2.346 83 L HA 0.343 4.683 4.340 -0.000 0.000 0.276 83 L C 0.546 176.808 176.870 -1.013 0.000 1.006 83 L CA -0.422 54.045 54.840 -0.622 0.000 0.817 83 L CB 1.742 43.605 42.059 -0.326 0.000 1.272 83 L HN 0.673 nan 8.230 nan 0.000 0.421 84 H N -0.134 118.593 119.070 -0.571 0.000 2.423 84 H HA 0.030 4.586 4.556 -0.000 0.000 0.297 84 H C 0.210 175.404 175.328 -0.222 0.000 1.075 84 H CA 1.166 57.001 56.048 -0.355 0.000 1.342 84 H CB 0.293 30.015 29.762 -0.067 0.000 1.395 84 H HN 0.514 nan 8.280 nan 0.000 0.530 85 Q N 0.557 120.290 119.800 -0.111 0.000 2.416 85 Q HA 0.221 4.561 4.340 -0.000 0.000 0.281 85 Q C -1.571 174.357 176.000 -0.119 0.000 1.067 85 Q CA -1.062 54.697 55.803 -0.073 0.000 0.809 85 Q CB 2.014 30.746 28.738 -0.011 0.000 1.418 85 Q HN 0.307 nan 8.270 nan 0.000 0.411 86 D N 1.036 121.391 120.400 -0.074 0.000 2.326 86 D HA 0.169 4.809 4.640 -0.000 0.000 0.251 86 D C 0.557 176.847 176.300 -0.018 0.000 1.023 86 D CA -0.712 53.237 54.000 -0.084 0.000 0.966 86 D CB 0.993 41.744 40.800 -0.082 0.000 1.156 86 D HN 0.468 nan 8.370 nan 0.000 0.494 87 L N 0.393 121.595 121.223 -0.035 0.000 2.191 87 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 87 L C 1.976 178.921 176.870 0.125 0.000 1.103 87 L CA 1.679 56.560 54.840 0.069 0.000 0.769 87 L CB -0.673 41.393 42.059 0.012 0.000 0.908 87 L HN 0.551 nan 8.230 nan 0.000 0.438 88 K N 0.292 120.724 120.400 0.053 0.000 2.002 88 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 88 K C 2.214 178.866 176.600 0.085 0.000 1.048 88 K CA 1.906 58.229 56.287 0.060 0.000 0.930 88 K CB -0.370 32.142 32.500 0.021 0.000 0.714 88 K HN 0.246 nan 8.250 nan 0.000 0.438 89 K N -0.911 119.539 120.400 0.084 0.000 2.032 89 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 89 K C 2.112 178.804 176.600 0.154 0.000 1.048 89 K CA 1.707 58.052 56.287 0.098 0.000 0.927 89 K CB -0.401 32.152 32.500 0.088 0.000 0.712 89 K HN 0.177 nan 8.250 nan 0.000 0.441 90 F N 1.556 121.523 119.950 0.028 0.000 2.126 90 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 90 F C 2.064 177.909 175.800 0.074 0.000 1.096 90 F CA 1.590 59.620 58.000 0.049 0.000 1.255 90 F CB -0.192 38.838 39.000 0.050 0.000 0.997 90 F HN 0.036 nan 8.300 nan 0.000 0.479 91 M N -0.471 119.156 119.600 0.046 0.000 2.132 91 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 91 M C 1.641 177.910 176.300 -0.052 0.000 1.065 91 M CA 1.661 56.938 55.300 -0.038 0.000 1.122 91 M CB -0.613 32.023 32.600 0.060 0.000 1.365 91 M HN -0.018 nan 8.290 nan 0.000 0.411 92 D N 0.559 120.958 120.400 -0.001 0.000 2.219 92 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 92 D C 1.861 178.148 176.300 -0.022 0.000 0.970 92 D CA 1.242 55.243 54.000 0.002 0.000 0.851 92 D CB -0.026 40.792 40.800 0.030 0.000 0.943 92 D HN 0.333 nan 8.370 nan 0.000 0.488 93 A N -0.022 122.769 122.820 -0.047 0.000 1.970 93 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 93 A C 2.039 179.555 177.584 -0.113 0.000 1.170 93 A CA 0.749 52.754 52.037 -0.054 0.000 0.645 93 A CB 0.120 19.113 19.000 -0.011 0.000 0.816 93 A HN 0.080 nan 8.150 nan 0.000 0.447 94 S N -0.154 115.418 115.700 -0.212 0.000 2.582 94 S HA 0.413 4.883 4.470 -0.000 0.000 0.234 94 S C 1.612 176.140 174.600 -0.120 0.000 0.961 94 S CA 0.285 58.366 58.200 -0.199 0.000 0.953 94 S CB 0.279 63.282 63.200 -0.329 0.000 0.800 94 S HN 0.687 nan 8.310 nan 0.000 0.471 95 A N 1.527 124.298 122.820 -0.083 0.000 1.978 95 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 95 A C 1.852 179.407 177.584 -0.048 0.000 1.170 95 A CA 1.180 53.185 52.037 -0.053 0.000 0.636 95 A CB -0.416 18.564 19.000 -0.033 0.000 0.810 95 A HN 0.526 nan 8.150 nan 0.000 0.448 96 L N -1.984 119.209 121.223 -0.049 0.000 2.249 96 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 96 L C 2.637 179.476 176.870 -0.051 0.000 1.090 96 L CA 1.587 56.401 54.840 -0.044 0.000 0.802 96 L CB -0.257 41.779 42.059 -0.037 0.000 0.947 96 L HN 0.481 nan 8.230 nan 0.000 0.453 97 T N -1.110 113.404 114.554 -0.066 0.000 3.037 97 T HA 0.266 4.616 4.350 -0.000 0.000 0.252 97 T C 0.808 175.465 174.700 -0.071 0.000 1.073 97 T CA 0.655 62.710 62.100 -0.075 0.000 1.091 97 T CB 0.004 68.809 68.868 -0.104 0.000 0.935 97 T HN 0.496 nan 8.240 nan 0.000 0.488 98 G N 1.224 109.983 108.800 -0.068 0.000 2.731 98 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 98 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 98 G C -0.532 174.347 174.900 -0.035 0.000 1.395 98 G CA -0.464 44.608 45.100 -0.046 0.000 0.870 98 G HN 0.565 nan 8.290 nan 0.000 0.591 99 I N 3.946 124.521 120.570 0.009 0.000 2.471 99 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 99 I C -1.085 175.083 176.117 0.086 0.000 1.079 99 I CA -1.485 59.870 61.300 0.091 0.000 1.398 99 I CB 0.978 39.069 38.000 0.153 0.000 1.403 99 I HN 0.357 nan 8.210 nan 0.000 0.530 100 P HA -0.056 nan 4.420 nan 0.000 0.268 100 P C 0.631 177.969 177.300 0.063 0.000 1.205 100 P CA -0.286 62.846 63.100 0.053 0.000 0.771 100 P CB 1.112 32.835 31.700 0.039 0.000 0.858 101 L N 5.162 126.421 121.223 0.060 0.000 2.081 101 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 101 L C -0.861 176.035 176.870 0.042 0.000 1.080 101 L CA 2.532 57.424 54.840 0.086 0.000 0.754 101 L CB -2.068 40.047 42.059 0.093 0.000 0.893 101 L HN 0.355 nan 8.230 nan 0.000 0.433 102 P HA -0.164 nan 4.420 nan 0.000 0.218 102 P C 2.088 179.355 177.300 -0.055 0.000 1.149 102 P CA 1.287 64.364 63.100 -0.039 0.000 0.817 102 P CB 0.023 31.702 31.700 -0.035 0.000 0.785 103 L N -1.261 119.925 121.223 -0.061 0.000 2.072 103 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 103 L C 2.211 178.946 176.870 -0.225 0.000 1.079 103 L CA 1.206 55.922 54.840 -0.207 0.000 0.752 103 L CB -0.456 41.513 42.059 -0.150 0.000 0.906 103 L HN -0.090 nan 8.230 nan 0.000 0.436 104 I N -0.084 120.481 120.570 -0.008 0.000 2.208 104 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 104 I C 2.568 178.796 176.117 0.185 0.000 1.097 104 I CA 1.446 62.831 61.300 0.141 0.000 1.363 104 I CB -0.297 37.853 38.000 0.250 0.000 1.051 104 I HN 0.242 nan 8.210 nan 0.000 0.413 105 K N 0.395 120.881 120.400 0.143 0.000 2.097 105 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 105 K C 2.349 179.085 176.600 0.225 0.000 1.050 105 K CA 1.592 57.983 56.287 0.173 0.000 0.938 105 K CB -0.045 32.388 32.500 -0.110 0.000 0.718 105 K HN 0.153 nan 8.250 nan 0.000 0.442 106 S N -0.507 115.252 115.700 0.097 0.000 2.355 106 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 106 S C 1.869 176.633 174.600 0.274 0.000 1.031 106 S CA 0.782 59.057 58.200 0.126 0.000 0.993 106 S CB -0.345 62.861 63.200 0.009 0.000 0.859 106 S HN 0.370 nan 8.310 nan 0.000 0.453 107 Y N 1.178 121.537 120.300 0.099 0.000 2.145 107 Y HA 0.010 4.560 4.550 -0.000 0.000 0.286 107 Y C 2.345 178.278 175.900 0.054 0.000 1.145 107 Y CA 0.575 58.712 58.100 0.061 0.000 1.148 107 Y CB -1.297 37.199 38.460 0.059 0.000 0.981 107 Y HN 0.297 nan 8.280 nan 0.000 0.507 108 L N -0.907 120.474 121.223 0.263 0.000 2.046 108 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 108 L C 2.271 179.181 176.870 0.067 0.000 1.077 108 L CA 1.442 56.370 54.840 0.146 0.000 0.747 108 L CB -1.069 41.051 42.059 0.102 0.000 0.896 108 L HN 0.117 nan 8.230 nan 0.000 0.432 109 F N 0.130 120.000 119.950 -0.134 0.000 2.134 109 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 109 F C 2.461 178.112 175.800 -0.247 0.000 1.097 109 F CA 1.957 59.663 58.000 -0.490 0.000 1.264 109 F CB -0.303 38.420 39.000 -0.461 0.000 1.001 109 F HN 0.228 nan 8.300 nan 0.000 0.479 110 Q N -0.071 119.680 119.800 -0.082 0.000 2.123 110 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 110 Q C 2.350 178.263 176.000 -0.145 0.000 0.966 110 Q CA 1.610 57.341 55.803 -0.120 0.000 0.845 110 Q CB -0.265 28.487 28.738 0.024 0.000 0.907 110 Q HN 0.454 nan 8.270 nan 0.000 0.439 111 L N 0.328 121.491 121.223 -0.100 0.000 2.046 111 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 111 L C 2.258 179.049 176.870 -0.130 0.000 1.077 111 L CA 0.945 55.730 54.840 -0.091 0.000 0.747 111 L CB -0.396 41.631 42.059 -0.053 0.000 0.896 111 L HN 0.258 nan 8.230 nan 0.000 0.432 112 L N -0.842 120.271 121.223 -0.182 0.000 2.093 112 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 112 L C 2.696 179.408 176.870 -0.262 0.000 1.085 112 L CA 1.157 55.877 54.840 -0.200 0.000 0.755 112 L CB -0.425 41.497 42.059 -0.229 0.000 0.904 112 L HN 0.342 nan 8.230 nan 0.000 0.435 113 Q N -0.358 119.229 119.800 -0.356 0.000 2.084 113 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 113 Q C 2.319 178.110 176.000 -0.349 0.000 0.978 113 Q CA 1.495 57.109 55.803 -0.314 0.000 0.844 113 Q CB -0.381 28.194 28.738 -0.272 0.000 0.898 113 Q HN 0.605 nan 8.270 nan 0.000 0.426 114 G N 0.829 109.430 108.800 -0.332 0.000 2.418 114 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 114 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 114 G C 1.404 176.120 174.900 -0.306 0.000 1.158 114 G CA 0.450 45.297 45.100 -0.422 0.000 0.771 114 G HN 0.162 nan 8.290 nan 0.000 0.545 115 L N 0.571 121.662 121.223 -0.220 0.000 2.046 115 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 115 L C 3.435 180.055 176.870 -0.418 0.000 1.077 115 L CA 1.024 55.663 54.840 -0.336 0.000 0.747 115 L CB -0.431 41.446 42.059 -0.304 0.000 0.896 115 L HN 0.324 nan 8.230 nan 0.000 0.432 116 A N -0.264 122.430 122.820 -0.211 0.000 1.940 116 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 116 A C 2.141 179.704 177.584 -0.034 0.000 1.176 116 A CA 1.680 53.675 52.037 -0.072 0.000 0.631 116 A CB -0.785 18.185 19.000 -0.049 0.000 0.814 116 A HN 0.446 nan 8.150 nan 0.000 0.446 117 F N 0.166 119.970 119.950 -0.243 0.000 2.113 117 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 117 F C 2.430 178.208 175.800 -0.037 0.000 1.103 117 F CA 1.767 59.672 58.000 -0.158 0.000 1.248 117 F CB -0.596 38.167 39.000 -0.394 0.000 0.999 117 F HN 0.278 nan 8.300 nan 0.000 0.475 118 C N 0.224 119.399 119.300 -0.207 0.000 2.446 118 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 118 C C 2.654 177.650 174.990 0.010 0.000 1.275 118 C CA 1.424 60.270 59.018 -0.286 0.000 1.727 118 C CB -1.792 25.537 27.740 -0.685 0.000 2.010 118 C HN 0.554 nan 8.230 nan 0.000 0.486 119 H N 0.839 119.908 119.070 -0.001 0.000 2.421 119 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 119 H C 2.407 177.714 175.328 -0.035 0.000 1.087 119 H CA 1.509 57.579 56.048 0.037 0.000 1.330 119 H CB -0.009 29.793 29.762 0.068 0.000 1.388 119 H HN 0.607 nan 8.280 nan 0.000 0.526 120 S N -0.006 115.699 115.700 0.008 0.000 2.489 120 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 120 S C 1.062 175.469 174.600 -0.323 0.000 0.995 120 S CA 0.738 58.846 58.200 -0.152 0.000 0.934 120 S CB -0.160 62.914 63.200 -0.210 0.000 0.771 120 S HN 0.497 nan 8.310 nan 0.000 0.522 121 H N 1.381 120.329 119.070 -0.204 0.000 2.505 121 H HA 0.447 5.003 4.556 -0.000 0.000 0.289 121 H C 0.264 175.541 175.328 -0.085 0.000 1.052 121 H CA -0.338 55.592 56.048 -0.197 0.000 1.156 121 H CB 0.210 29.770 29.762 -0.338 0.000 1.507 121 H HN 0.102 nan 8.280 nan 0.000 0.548 122 R N -0.479 120.044 120.500 0.039 0.000 3.758 122 R HA -0.128 4.212 4.340 -0.000 0.000 0.299 122 R C -0.954 175.416 176.300 0.117 0.000 1.182 122 R CA 0.361 56.498 56.100 0.063 0.000 0.809 122 R CB -2.658 27.659 30.300 0.028 0.000 1.249 122 R HN 0.115 nan 8.270 nan 0.000 0.497 123 V N 2.048 122.066 119.914 0.174 0.000 2.370 123 V HA 0.373 4.493 4.120 -0.000 0.000 0.283 123 V C 0.395 176.779 176.094 0.482 0.000 1.023 123 V CA -0.668 61.779 62.300 0.245 0.000 0.857 123 V CB 1.722 33.639 31.823 0.157 0.000 0.985 123 V HN 0.017 nan 8.190 nan 0.000 0.443 124 L N 3.224 124.702 121.223 0.425 0.000 2.334 124 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 124 L C 0.901 177.910 176.870 0.232 0.000 1.020 124 L CA -0.083 55.015 54.840 0.430 0.000 0.812 124 L CB 1.155 43.381 42.059 0.278 0.000 1.264 124 L HN 0.691 nan 8.230 nan 0.000 0.439 125 H N 1.741 120.701 119.070 -0.184 0.000 2.344 125 H HA 0.035 4.591 4.556 -0.000 0.000 0.307 125 H C 1.256 176.462 175.328 -0.203 0.000 1.057 125 H CA 1.472 57.159 56.048 -0.602 0.000 1.373 125 H CB 0.318 29.468 29.762 -1.020 0.000 1.421 125 H HN 0.614 nan 8.280 nan 0.000 0.532 126 R N -0.441 120.120 120.500 0.103 0.000 3.922 126 R HA -0.207 4.133 4.340 -0.000 0.000 0.447 126 R C -0.886 175.455 176.300 0.069 0.000 1.035 126 R CA 1.808 57.932 56.100 0.039 0.000 1.289 126 R CB -2.400 27.903 30.300 0.004 0.000 1.906 126 R HN 0.450 nan 8.270 nan 0.000 0.540 127 D N 0.350 120.905 120.400 0.258 0.000 2.952 127 D HA 0.315 4.955 4.640 -0.000 0.000 0.373 127 D C -0.431 175.874 176.300 0.008 0.000 1.360 127 D CA -0.425 53.672 54.000 0.161 0.000 0.788 127 D CB 0.336 41.219 40.800 0.139 0.000 1.192 127 D HN 0.317 nan 8.370 nan 0.000 0.462 128 L N 1.811 122.920 121.223 -0.189 0.000 2.410 128 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 128 L C 0.517 177.186 176.870 -0.336 0.000 1.152 128 L CA 0.465 55.063 54.840 -0.404 0.000 0.855 128 L CB 0.449 42.303 42.059 -0.341 0.000 1.129 128 L HN 0.158 nan 8.230 nan 0.000 0.463 129 K N 2.170 122.293 120.400 -0.462 0.000 2.597 129 K HA 0.373 4.693 4.320 -0.000 0.000 0.282 129 K C -2.825 173.490 176.600 -0.475 0.000 0.975 129 K CA -1.579 54.279 56.287 -0.715 0.000 0.867 129 K CB 1.342 33.563 32.500 -0.466 0.000 1.465 129 K HN -0.047 nan 8.250 nan 0.000 0.417 130 P HA -0.178 nan 4.420 nan 0.000 0.218 130 P C 0.767 177.977 177.300 -0.150 0.000 1.146 130 P CA 1.344 64.319 63.100 -0.208 0.000 0.813 130 P CB 0.180 31.822 31.700 -0.096 0.000 0.778 131 Q N -1.493 118.215 119.800 -0.153 0.000 2.369 131 Q HA -0.041 4.299 4.340 -0.000 0.000 0.206 131 Q C 0.967 176.892 176.000 -0.125 0.000 0.963 131 Q CA 0.687 56.420 55.803 -0.116 0.000 0.894 131 Q CB -0.372 28.303 28.738 -0.105 0.000 0.965 131 Q HN 0.305 nan 8.270 nan 0.000 0.475 132 N N -0.015 118.595 118.700 -0.151 0.000 2.270 132 N HA 0.139 4.879 4.740 -0.000 0.000 0.198 132 N C -0.635 174.785 175.510 -0.149 0.000 1.117 132 N CA 0.293 53.264 53.050 -0.132 0.000 0.845 132 N CB 0.618 39.027 38.487 -0.130 0.000 0.980 132 N HN 0.133 nan 8.380 nan 0.000 0.486 133 L N 1.433 122.557 121.223 -0.165 0.000 2.316 133 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 133 L C -0.504 176.251 176.870 -0.191 0.000 1.006 133 L CA -0.463 54.270 54.840 -0.177 0.000 0.836 133 L CB 1.529 43.476 42.059 -0.185 0.000 1.221 133 L HN -0.258 nan 8.230 nan 0.000 0.418 134 L N 5.101 126.203 121.223 -0.201 0.000 2.331 134 L HA 0.684 5.024 4.340 -0.000 0.000 0.275 134 L C -0.174 176.537 176.870 -0.265 0.000 1.022 134 L CA -0.780 53.929 54.840 -0.218 0.000 0.812 134 L CB 1.962 43.896 42.059 -0.208 0.000 1.257 134 L HN 0.557 nan 8.230 nan 0.000 0.435 135 I N -0.516 119.889 120.570 -0.274 0.000 2.785 135 I HA 0.645 4.815 4.170 -0.000 0.000 0.302 135 I C -1.036 174.960 176.117 -0.202 0.000 1.069 135 I CA -0.738 60.379 61.300 -0.305 0.000 1.045 135 I CB 2.226 39.963 38.000 -0.438 0.000 1.236 135 I HN 0.623 nan 8.210 nan 0.000 0.429 136 N N 0.696 119.304 118.700 -0.153 0.000 2.815 136 N HA 0.366 5.106 4.740 -0.000 0.000 0.315 136 N C 0.542 175.999 175.510 -0.089 0.000 1.320 136 N CA -0.199 52.797 53.050 -0.089 0.000 0.846 136 N CB 0.553 39.011 38.487 -0.048 0.000 1.344 136 N HN 0.733 nan 8.380 nan 0.000 0.593 137 T N -4.048 110.468 114.554 -0.064 0.000 3.113 137 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 137 T C 0.769 175.446 174.700 -0.038 0.000 1.143 137 T CA 0.949 63.013 62.100 -0.060 0.000 1.090 137 T CB -0.226 68.609 68.868 -0.054 0.000 0.922 137 T HN 0.503 nan 8.240 nan 0.000 0.521 138 E N 0.909 121.092 120.200 -0.028 0.000 2.478 138 E HA 0.354 4.704 4.350 -0.000 0.000 0.194 138 E C 1.475 178.076 176.600 0.002 0.000 1.045 138 E CA 0.597 56.989 56.400 -0.013 0.000 0.868 138 E CB -0.205 29.489 29.700 -0.010 0.000 0.885 138 E HN 0.642 nan 8.360 nan 0.000 0.505 139 G N -0.504 108.303 108.800 0.012 0.000 2.131 139 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.201 139 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.201 139 G C 0.158 175.148 174.900 0.150 0.000 1.000 139 G CA -0.004 45.144 45.100 0.080 0.000 0.680 139 G HN 0.458 nan 8.290 nan 0.000 0.514 140 A N -0.433 122.419 122.820 0.054 0.000 2.312 140 A HA 0.915 5.235 4.320 -0.000 0.000 0.328 140 A C -0.188 177.321 177.584 -0.124 0.000 1.158 140 A CA -0.382 51.656 52.037 0.002 0.000 0.821 140 A CB 1.458 20.438 19.000 -0.032 0.000 1.170 140 A HN 1.392 nan 8.150 nan 0.000 0.490 141 I N 0.667 121.128 120.570 -0.182 0.000 2.647 141 I HA 0.526 4.696 4.170 -0.000 0.000 0.295 141 I C -1.051 174.950 176.117 -0.192 0.000 1.078 141 I CA -0.571 60.520 61.300 -0.348 0.000 1.048 141 I CB 1.862 39.451 38.000 -0.685 0.000 1.239 141 I HN 0.696 nan 8.210 nan 0.000 0.421 142 K N 7.254 127.547 120.400 -0.179 0.000 2.426 142 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 142 K C -1.560 174.993 176.600 -0.079 0.000 0.941 142 K CA -0.880 55.349 56.287 -0.098 0.000 0.808 142 K CB 2.612 35.064 32.500 -0.079 0.000 1.265 142 K HN 0.475 nan 8.250 nan 0.000 0.432 143 L N 2.217 123.444 121.223 0.006 0.000 2.281 143 L HA 0.358 4.698 4.340 -0.000 0.000 0.285 143 L C 0.181 177.124 176.870 0.121 0.000 1.074 143 L CA -0.348 54.542 54.840 0.085 0.000 0.817 143 L CB 1.089 43.326 42.059 0.296 0.000 1.168 143 L HN 0.696 nan 8.230 nan 0.000 0.434 144 A N 1.905 124.750 122.820 0.041 0.000 2.294 144 A HA 0.540 4.860 4.320 -0.000 0.000 0.330 144 A C 0.189 177.806 177.584 0.055 0.000 1.133 144 A CA -0.464 51.543 52.037 -0.050 0.000 0.836 144 A CB 0.580 19.478 19.000 -0.169 0.000 1.190 144 A HN 0.841 nan 8.150 nan 0.000 0.492 145 D N -1.308 119.012 120.400 -0.133 0.000 2.911 145 D HA -0.170 4.470 4.640 -0.000 0.000 0.227 145 D C -0.497 175.662 176.300 -0.236 0.000 1.164 145 D CA 1.125 55.064 54.000 -0.103 0.000 0.782 145 D CB -1.666 39.120 40.800 -0.024 0.000 1.094 145 D HN 0.412 nan 8.370 nan 0.000 0.425 146 F N 0.905 120.763 119.950 -0.153 0.000 2.541 146 F HA 0.370 4.897 4.527 -0.000 0.000 0.378 146 F C 1.836 177.533 175.800 -0.171 0.000 1.068 146 F CA 1.597 59.478 58.000 -0.197 0.000 1.199 146 F CB 0.481 39.517 39.000 0.060 0.000 1.091 146 F HN 0.219 nan 8.300 nan 0.000 0.555 147 G N 4.047 112.791 108.800 -0.094 0.000 2.176 147 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.253 147 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.253 147 G C 0.873 175.692 174.900 -0.135 0.000 0.979 147 G CA 0.350 45.451 45.100 0.002 0.000 0.641 147 G HN 0.600 nan 8.290 nan 0.000 0.530 148 L N 0.966 122.075 121.223 -0.191 0.000 2.156 148 L HA 0.386 4.726 4.340 -0.000 0.000 0.208 148 L C 3.144 179.841 176.870 -0.289 0.000 1.095 148 L CA 2.597 57.232 54.840 -0.342 0.000 0.770 148 L CB -0.844 41.092 42.059 -0.204 0.000 0.914 148 L HN 0.498 nan 8.230 nan 0.000 0.439 149 A N -0.313 122.505 122.820 -0.003 0.000 1.902 149 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 149 A C 2.507 180.130 177.584 0.064 0.000 1.181 149 A CA 1.824 53.968 52.037 0.177 0.000 0.623 149 A CB -0.551 18.534 19.000 0.142 0.000 0.818 149 A HN 0.402 nan 8.150 nan 0.000 0.443 150 R N -0.124 120.367 120.500 -0.016 0.000 2.088 150 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 150 R C 2.318 178.550 176.300 -0.114 0.000 1.136 150 R CA 1.859 57.947 56.100 -0.020 0.000 0.926 150 R CB -0.702 29.586 30.300 -0.020 0.000 0.837 150 R HN 0.368 nan 8.270 nan 0.000 0.429 151 A N 0.345 122.987 122.820 -0.296 0.000 1.892 151 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 151 A C 1.802 179.110 177.584 -0.460 0.000 1.188 151 A CA 1.789 53.517 52.037 -0.516 0.000 0.631 151 A CB -0.575 17.861 19.000 -0.940 0.000 0.822 151 A HN 0.497 nan 8.150 nan 0.000 0.447 152 F N -1.150 118.715 119.950 -0.142 0.000 2.704 152 F HA 0.422 4.949 4.527 -0.000 0.000 0.304 152 F C 1.468 177.316 175.800 0.080 0.000 1.094 152 F CA -0.314 57.630 58.000 -0.093 0.000 1.275 152 F CB -0.547 38.265 39.000 -0.314 0.000 1.073 152 F HN 0.354 nan 8.300 nan 0.000 0.586 153 G N 2.082 111.030 108.800 0.246 0.000 2.587 153 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.245 153 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.245 153 G C -0.107 174.953 174.900 0.267 0.000 0.959 153 G CA -0.054 45.177 45.100 0.219 0.000 1.268 153 G HN 0.396 nan 8.290 nan 0.000 0.448 154 V N 4.607 124.679 119.914 0.262 0.000 2.814 154 V HA 0.274 4.394 4.120 -0.000 0.000 0.298 154 V C -0.212 175.917 176.094 0.059 0.000 1.195 154 V CA 0.355 62.737 62.300 0.136 0.000 1.323 154 V CB 0.428 32.290 31.823 0.065 0.000 0.842 154 V HN 0.874 nan 8.190 nan 0.000 0.494 155 P HA 0.316 nan 4.420 nan 0.000 0.285 155 P C 0.528 177.799 177.300 -0.047 0.000 1.280 155 P CA -0.359 62.733 63.100 -0.014 0.000 0.862 155 P CB 2.175 33.865 31.700 -0.016 0.000 1.153 156 V N 0.697 120.593 119.914 -0.030 0.000 2.346 156 V HA 0.031 4.151 4.120 -0.000 0.000 0.244 156 V C 0.761 176.824 176.094 -0.052 0.000 1.037 156 V CA 1.298 63.576 62.300 -0.037 0.000 1.029 156 V CB -0.329 31.481 31.823 -0.021 0.000 0.663 156 V HN 0.418 nan 8.190 nan 0.000 0.454 157 R N 1.649 122.122 120.500 -0.045 0.000 2.460 157 R HA 0.400 4.740 4.340 -0.000 0.000 0.303 157 R C 0.188 176.441 176.300 -0.079 0.000 0.968 157 R CA 0.211 56.280 56.100 -0.053 0.000 0.889 157 R CB 1.134 31.422 30.300 -0.021 0.000 1.123 157 R HN 0.597 nan 8.270 nan 0.000 0.455 158 T N -0.690 113.797 114.554 -0.111 0.000 2.734 158 T HA -0.070 4.280 4.350 -0.000 0.000 0.314 158 T C 1.609 176.228 174.700 -0.136 0.000 1.057 158 T CA -0.106 61.924 62.100 -0.118 0.000 1.047 158 T CB 0.213 69.007 68.868 -0.124 0.000 0.991 158 T HN 0.667 nan 8.240 nan 0.000 0.540 159 Y N 1.172 121.390 120.300 -0.136 0.000 2.228 159 Y HA -0.077 4.473 4.550 -0.000 0.000 0.285 159 Y C 1.361 177.147 175.900 -0.190 0.000 1.178 159 Y CA 1.346 59.372 58.100 -0.123 0.000 1.202 159 Y CB -1.329 37.070 38.460 -0.102 0.000 0.974 159 Y HN 0.667 nan 8.280 nan 0.000 0.527 160 T N 1.026 114.849 114.554 -1.219 0.000 3.243 160 T HA 0.162 4.512 4.350 -0.000 0.000 0.245 160 T C 0.025 174.048 174.700 -1.129 0.000 1.263 160 T CA 0.070 61.356 62.100 -1.357 0.000 1.228 160 T CB -1.344 66.787 68.868 -1.229 0.000 1.097 160 T HN 0.767 nan 8.240 nan 0.000 0.628 161 H N -1.023 117.898 119.070 -0.248 0.000 2.767 161 H HA -0.213 4.343 4.556 -0.000 0.000 0.309 161 H C -0.735 174.517 175.328 -0.126 0.000 1.061 161 H CA 0.730 56.688 56.048 -0.149 0.000 1.166 161 H CB -2.031 27.660 29.762 -0.119 0.000 1.363 161 H HN 0.544 nan 8.280 nan 0.000 0.376 162 E N 1.277 121.408 120.200 -0.115 0.000 2.229 162 E HA 0.389 4.739 4.350 -0.000 0.000 0.283 162 E C 0.233 176.790 176.600 -0.071 0.000 1.030 162 E CA -0.439 55.917 56.400 -0.075 0.000 0.836 162 E CB 1.578 31.209 29.700 -0.115 0.000 1.068 162 E HN 0.220 nan 8.360 nan 0.000 0.401 163 V N 3.743 123.626 119.914 -0.053 0.000 2.617 163 V HA -0.051 4.069 4.120 -0.000 0.000 0.304 163 V C 0.505 176.540 176.094 -0.099 0.000 1.040 163 V CA -0.147 62.116 62.300 -0.062 0.000 1.149 163 V CB 0.685 32.481 31.823 -0.046 0.000 0.914 163 V HN 0.438 nan 8.190 nan 0.000 0.487 164 V N 4.907 124.760 119.914 -0.101 0.000 2.686 164 V HA 0.209 4.329 4.120 -0.000 0.000 0.295 164 V C 0.855 176.857 176.094 -0.153 0.000 1.055 164 V CA 0.228 62.451 62.300 -0.128 0.000 1.050 164 V CB 1.822 33.575 31.823 -0.117 0.000 0.984 164 V HN 1.101 nan 8.190 nan 0.000 0.482 165 T N 6.752 121.176 114.554 -0.218 0.000 2.851 165 T HA 0.220 4.570 4.350 -0.000 0.000 0.298 165 T C 0.567 175.171 174.700 -0.162 0.000 0.977 165 T CA -0.514 61.382 62.100 -0.341 0.000 1.126 165 T CB 0.362 68.881 68.868 -0.582 0.000 0.916 165 T HN 0.507 nan 8.240 nan 0.000 0.529 166 L N 4.628 125.794 121.223 -0.095 0.000 2.616 166 L HA 0.247 4.587 4.340 -0.000 0.000 0.229 166 L C 1.732 178.707 176.870 0.175 0.000 1.110 166 L CA 0.211 55.084 54.840 0.054 0.000 0.884 166 L CB -1.096 41.002 42.059 0.066 0.000 1.115 166 L HN 0.757 nan 8.230 nan 0.000 0.481 167 W N 0.024 121.256 121.300 -0.114 0.000 2.321 167 W HA -0.211 4.449 4.660 -0.000 0.000 0.285 167 W C 1.809 178.033 176.519 -0.492 0.000 1.213 167 W CA 0.682 57.820 57.345 -0.345 0.000 1.205 167 W CB -1.374 27.721 29.460 -0.607 0.000 1.134 167 W HN 0.253 nan 8.180 nan 0.000 0.549 168 Y N -0.998 119.513 120.300 0.352 0.000 2.467 168 Y HA 0.277 4.827 4.550 -0.000 0.000 0.250 168 Y C 1.212 177.302 175.900 0.317 0.000 1.155 168 Y CA -0.798 57.496 58.100 0.324 0.000 1.249 168 Y CB -0.481 38.093 38.460 0.190 0.000 1.146 168 Y HN -0.357 nan 8.280 nan 0.000 0.524 169 R N 1.936 122.590 120.500 0.257 0.000 2.401 169 R HA 0.437 4.777 4.340 -0.000 0.000 0.299 169 R C 0.203 176.431 176.300 -0.121 0.000 1.064 169 R CA 0.013 56.161 56.100 0.080 0.000 1.000 169 R CB 0.280 30.587 30.300 0.012 0.000 0.973 169 R HN 0.247 nan 8.270 nan 0.000 0.438 170 A N 6.708 129.334 122.820 -0.322 0.000 2.445 170 A HA 0.211 4.531 4.320 -0.000 0.000 0.242 170 A C -1.488 175.729 177.584 -0.613 0.000 1.075 170 A CA -1.195 50.309 52.037 -0.888 0.000 0.777 170 A CB 0.127 18.859 19.000 -0.446 0.000 1.013 170 A HN 0.763 nan 8.150 nan 0.000 0.493 171 P HA -0.222 nan 4.420 nan 0.000 0.218 171 P C 1.005 178.389 177.300 0.139 0.000 1.148 171 P CA 1.613 64.605 63.100 -0.181 0.000 0.822 171 P CB 0.071 31.794 31.700 0.039 0.000 0.784 172 E N 0.555 120.880 120.200 0.207 0.000 2.150 172 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 172 E C 2.143 178.860 176.600 0.194 0.000 0.985 172 E CA 0.933 57.557 56.400 0.373 0.000 0.814 172 E CB -1.134 28.813 29.700 0.411 0.000 0.752 172 E HN 0.313 nan 8.360 nan 0.000 0.466 173 I N 1.016 121.626 120.570 0.067 0.000 2.286 173 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 173 I C 2.654 178.789 176.117 0.030 0.000 1.104 173 I CA 0.754 62.075 61.300 0.035 0.000 1.397 173 I CB -0.246 37.679 38.000 -0.126 0.000 1.072 173 I HN 0.016 nan 8.210 nan 0.000 0.417 174 L N 0.320 121.540 121.223 -0.005 0.000 2.131 174 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 174 L C 2.135 179.031 176.870 0.043 0.000 1.092 174 L CA 1.098 55.930 54.840 -0.013 0.000 0.759 174 L CB -0.359 41.655 42.059 -0.075 0.000 0.903 174 L HN 0.286 nan 8.230 nan 0.000 0.435 175 L N -0.225 121.060 121.223 0.104 0.000 2.627 175 L HA 0.120 4.459 4.340 -0.000 0.000 0.233 175 L C 1.352 178.286 176.870 0.106 0.000 1.144 175 L CA 0.485 55.410 54.840 0.141 0.000 0.892 175 L CB -0.394 41.757 42.059 0.154 0.000 1.039 175 L HN 0.487 nan 8.230 nan 0.000 0.442 176 G N -0.726 108.125 108.800 0.085 0.000 2.141 176 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.242 176 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.242 176 G C 0.320 175.257 174.900 0.061 0.000 0.982 176 G CA -0.010 45.128 45.100 0.064 0.000 0.662 176 G HN 0.347 nan 8.290 nan 0.000 0.527 177 C N 1.101 120.463 119.300 0.103 0.000 2.651 177 C HA 0.532 4.992 4.460 -0.000 0.000 0.410 177 C C 2.007 177.032 174.990 0.058 0.000 1.372 177 C CA 0.538 59.619 59.018 0.105 0.000 1.707 177 C CB -0.070 27.788 27.740 0.197 0.000 2.501 177 C HN 0.540 nan 8.230 nan 0.000 0.598 178 K N 3.713 124.014 120.400 -0.164 0.000 2.116 178 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 178 K C -0.140 176.007 176.600 -0.755 0.000 1.052 178 K CA 1.452 57.454 56.287 -0.475 0.000 0.952 178 K CB -0.083 31.946 32.500 -0.784 0.000 0.729 178 K HN 0.773 nan 8.250 nan 0.000 0.446 179 Y N 1.594 121.802 120.300 -0.153 0.000 2.958 179 Y HA 0.219 4.769 4.550 -0.000 0.000 0.336 179 Y C -0.741 175.051 175.900 -0.180 0.000 1.160 179 Y CA -1.865 56.089 58.100 -0.244 0.000 1.292 179 Y CB -0.793 37.602 38.460 -0.109 0.000 1.306 179 Y HN -0.019 nan 8.280 nan 0.000 0.547 180 Y N -0.798 119.576 120.300 0.123 0.000 2.301 180 Y HA 0.699 5.249 4.550 -0.000 0.000 0.325 180 Y C 0.577 176.534 175.900 0.094 0.000 1.203 180 Y CA -1.855 56.309 58.100 0.108 0.000 1.255 180 Y CB 0.521 39.026 38.460 0.075 0.000 1.232 180 Y HN 0.325 nan 8.280 nan 0.000 0.501 181 S N -0.145 115.721 115.700 0.276 0.000 2.677 181 S HA 0.231 4.701 4.470 -0.000 0.000 0.290 181 S C 1.168 175.846 174.600 0.131 0.000 1.124 181 S CA -0.094 58.204 58.200 0.163 0.000 1.017 181 S CB 0.357 63.611 63.200 0.090 0.000 1.215 181 S HN 0.887 nan 8.310 nan 0.000 0.524 182 T N -1.639 112.896 114.554 -0.032 0.000 2.897 182 T HA -0.025 4.325 4.350 -0.000 0.000 0.271 182 T C 1.889 176.522 174.700 -0.111 0.000 1.084 182 T CA 1.089 63.016 62.100 -0.288 0.000 1.123 182 T CB -1.073 67.414 68.868 -0.636 0.000 0.865 182 T HN 0.873 nan 8.240 nan 0.000 0.496 183 A N 1.964 124.800 122.820 0.026 0.000 2.019 183 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 183 A C 2.694 180.382 177.584 0.173 0.000 1.164 183 A CA 1.602 53.707 52.037 0.113 0.000 0.644 183 A CB -1.102 17.963 19.000 0.109 0.000 0.805 183 A HN 0.769 nan 8.150 nan 0.000 0.449 184 V N -1.874 118.127 119.914 0.145 0.000 2.407 184 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 184 V C 1.703 177.915 176.094 0.196 0.000 1.055 184 V CA 2.409 64.787 62.300 0.130 0.000 1.049 184 V CB -0.860 30.960 31.823 -0.006 0.000 0.662 184 V HN 0.396 nan 8.190 nan 0.000 0.455 185 D N 0.518 121.044 120.400 0.210 0.000 2.149 185 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 185 D C 1.989 178.433 176.300 0.239 0.000 0.972 185 D CA 1.429 55.569 54.000 0.233 0.000 0.835 185 D CB -0.144 40.880 40.800 0.373 0.000 0.966 185 D HN 0.514 nan 8.370 nan 0.000 0.476 186 I N 0.529 121.260 120.570 0.268 0.000 2.315 186 I HA -0.183 3.986 4.170 -0.000 0.000 0.248 186 I C 2.228 178.477 176.117 0.219 0.000 1.117 186 I CA 0.636 62.070 61.300 0.224 0.000 1.404 186 I CB -0.287 37.838 38.000 0.207 0.000 1.071 186 I HN 0.197 nan 8.210 nan 0.000 0.419 187 W N 1.216 122.577 121.300 0.101 0.000 2.355 187 W HA -0.211 4.449 4.660 -0.000 0.000 0.309 187 W C 2.477 179.079 176.519 0.138 0.000 1.206 187 W CA 1.796 59.203 57.345 0.103 0.000 1.284 187 W CB -0.548 28.963 29.460 0.085 0.000 1.145 187 W HN 0.091 nan 8.180 nan 0.000 0.502 188 S N 1.412 117.364 115.700 0.420 0.000 2.359 188 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 188 S C 1.738 176.454 174.600 0.192 0.000 1.035 188 S CA 1.713 60.120 58.200 0.345 0.000 1.018 188 S CB -0.992 62.346 63.200 0.230 0.000 0.876 188 S HN 0.240 nan 8.310 nan 0.000 0.448 189 L N 2.030 123.326 121.223 0.122 0.000 2.083 189 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 189 L C 2.261 179.200 176.870 0.115 0.000 1.083 189 L CA 1.870 56.763 54.840 0.088 0.000 0.752 189 L CB -1.343 40.760 42.059 0.072 0.000 0.899 189 L HN 0.321 nan 8.230 nan 0.000 0.433 190 G N -1.444 107.387 108.800 0.051 0.000 2.418 190 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 190 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 190 G C 1.607 176.463 174.900 -0.073 0.000 1.158 190 G CA 1.008 46.104 45.100 -0.007 0.000 0.771 190 G HN 0.526 nan 8.290 nan 0.000 0.545 191 C N 0.347 119.586 119.300 -0.102 0.000 2.425 191 C HA 0.066 4.526 4.460 -0.000 0.000 0.277 191 C C 2.837 177.888 174.990 0.101 0.000 1.280 191 C CA 0.424 59.402 59.018 -0.067 0.000 1.744 191 C CB -0.959 26.838 27.740 0.094 0.000 1.989 191 C HN 0.469 nan 8.230 nan 0.000 0.491 192 I N 0.097 120.800 120.570 0.222 0.000 2.315 192 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 192 I C 2.458 178.698 176.117 0.206 0.000 1.117 192 I CA 1.285 62.711 61.300 0.209 0.000 1.404 192 I CB -0.572 37.481 38.000 0.087 0.000 1.071 192 I HN 0.240 nan 8.210 nan 0.000 0.419 193 F N 2.463 122.417 119.950 0.008 0.000 2.069 193 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 193 F C 2.470 178.238 175.800 -0.053 0.000 1.113 193 F CA 1.444 59.442 58.000 -0.002 0.000 1.214 193 F CB -0.913 38.068 39.000 -0.033 0.000 0.978 193 F HN 0.031 nan 8.300 nan 0.000 0.474 194 A N -0.089 122.573 122.820 -0.263 0.000 1.933 194 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 194 A C 2.286 179.729 177.584 -0.234 0.000 1.175 194 A CA 1.743 53.526 52.037 -0.424 0.000 0.628 194 A CB -1.055 17.651 19.000 -0.490 0.000 0.814 194 A HN 0.600 nan 8.150 nan 0.000 0.444 195 E N -0.602 119.534 120.200 -0.107 0.000 2.072 195 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 195 E C 2.037 178.641 176.600 0.007 0.000 0.985 195 E CA 1.269 57.643 56.400 -0.043 0.000 0.801 195 E CB -0.210 29.532 29.700 0.069 0.000 0.750 195 E HN 0.650 nan 8.360 nan 0.000 0.452 196 M N 0.041 119.686 119.600 0.075 0.000 2.117 196 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 196 M C 2.293 178.635 176.300 0.070 0.000 1.065 196 M CA 1.062 56.433 55.300 0.119 0.000 1.114 196 M CB -0.025 32.711 32.600 0.227 0.000 1.361 196 M HN 0.108 nan 8.290 nan 0.000 0.408 197 V N 0.101 120.027 119.914 0.020 0.000 2.323 197 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 197 V C 2.570 178.625 176.094 -0.064 0.000 1.041 197 V CA 2.333 64.618 62.300 -0.026 0.000 1.025 197 V CB -0.973 30.769 31.823 -0.135 0.000 0.656 197 V HN 0.631 nan 8.190 nan 0.000 0.451 198 T N -3.116 111.373 114.554 -0.108 0.000 3.057 198 T HA 0.032 4.382 4.350 -0.000 0.000 0.254 198 T C 1.081 175.730 174.700 -0.086 0.000 1.094 198 T CA 0.317 62.348 62.100 -0.115 0.000 1.088 198 T CB -0.059 68.707 68.868 -0.169 0.000 0.934 198 T HN 0.394 nan 8.240 nan 0.000 0.497 199 R N -0.032 120.430 120.500 -0.063 0.000 3.527 199 R HA -0.069 4.271 4.340 -0.000 0.000 0.288 199 R C -0.166 176.102 176.300 -0.054 0.000 1.146 199 R CA 0.594 56.670 56.100 -0.040 0.000 0.778 199 R CB -1.994 28.283 30.300 -0.038 0.000 1.289 199 R HN 0.493 nan 8.270 nan 0.000 0.454 200 R N -0.352 120.098 120.500 -0.084 0.000 2.566 200 R HA 0.580 4.920 4.340 -0.000 0.000 0.271 200 R C -0.975 175.225 176.300 -0.166 0.000 1.071 200 R CA -0.121 55.908 56.100 -0.119 0.000 0.915 200 R CB 1.574 31.787 30.300 -0.146 0.000 1.228 200 R HN 0.176 nan 8.270 nan 0.000 0.449 201 A N 4.009 126.712 122.820 -0.195 0.000 2.540 201 A HA 0.072 4.392 4.320 -0.000 0.000 0.239 201 A C 1.248 178.579 177.584 -0.422 0.000 1.061 201 A CA -0.058 51.812 52.037 -0.279 0.000 0.758 201 A CB 0.272 18.985 19.000 -0.478 0.000 0.991 201 A HN 0.893 nan 8.150 nan 0.000 0.502 202 L N 1.095 122.014 121.223 -0.507 0.000 1.994 202 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 202 L C 0.016 176.384 176.870 -0.838 0.000 1.071 202 L CA 1.391 55.740 54.840 -0.819 0.000 0.745 202 L CB -0.137 41.203 42.059 -1.198 0.000 0.892 202 L HN 0.754 nan 8.230 nan 0.000 0.431 203 F N 0.039 119.782 119.950 -0.345 0.000 2.550 203 F HA 0.310 4.837 4.527 -0.000 0.000 0.348 203 F C -2.070 173.376 175.800 -0.592 0.000 1.219 203 F CA -2.976 54.819 58.000 -0.343 0.000 1.203 203 F CB 0.186 39.088 39.000 -0.164 0.000 1.436 203 F HN -0.061 nan 8.300 nan 0.000 0.541 204 P HA 0.138 nan 4.420 nan 0.000 0.230 204 P C 0.582 177.473 177.300 -0.681 0.000 1.791 204 P CA 0.254 62.437 63.100 -1.529 0.000 1.020 204 P CB 0.341 31.218 31.700 -1.373 0.000 1.977 205 G N 1.861 110.500 108.800 -0.268 0.000 2.483 205 G HA2 0.156 4.116 3.960 -0.000 0.000 0.248 205 G HA3 0.156 4.116 3.960 -0.000 0.000 0.248 205 G C 0.287 175.323 174.900 0.227 0.000 1.248 205 G CA -0.480 44.634 45.100 0.024 0.000 0.838 205 G HN 0.365 nan 8.290 nan 0.000 0.566 206 D N -1.864 118.602 120.400 0.110 0.000 2.479 206 D HA 0.276 4.916 4.640 -0.000 0.000 0.218 206 D C 0.580 176.907 176.300 0.045 0.000 1.177 206 D CA 0.181 54.254 54.000 0.121 0.000 0.830 206 D CB 0.558 41.416 40.800 0.097 0.000 1.014 206 D HN 0.500 nan 8.370 nan 0.000 0.503 207 S N -1.585 114.120 115.700 0.008 0.000 2.595 207 S HA 0.210 4.680 4.470 -0.000 0.000 0.270 207 S C 0.310 174.866 174.600 -0.074 0.000 1.145 207 S CA -0.926 57.253 58.200 -0.036 0.000 0.825 207 S CB 1.315 64.481 63.200 -0.058 0.000 1.107 207 S HN -0.080 nan 8.310 nan 0.000 0.461 208 E N -0.167 119.979 120.200 -0.090 0.000 2.110 208 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 208 E C 1.505 177.970 176.600 -0.224 0.000 0.988 208 E CA 1.374 57.702 56.400 -0.121 0.000 0.804 208 E CB -0.211 29.434 29.700 -0.091 0.000 0.745 208 E HN 0.560 nan 8.360 nan 0.000 0.458 209 I N 1.393 121.796 120.570 -0.279 0.000 2.406 209 I HA -0.186 3.984 4.170 -0.000 0.000 0.249 209 I C 1.877 177.617 176.117 -0.629 0.000 1.122 209 I CA 1.377 62.358 61.300 -0.531 0.000 1.431 209 I CB -0.057 37.646 38.000 -0.495 0.000 1.087 209 I HN -0.045 nan 8.210 nan 0.000 0.424 210 D N -0.663 119.537 120.400 -0.335 0.000 2.144 210 D HA -0.274 4.366 4.640 -0.000 0.000 0.200 210 D C 2.139 178.321 176.300 -0.198 0.000 0.978 210 D CA 1.160 55.035 54.000 -0.208 0.000 0.833 210 D CB -0.040 40.703 40.800 -0.095 0.000 0.961 210 D HN 0.311 nan 8.370 nan 0.000 0.470 211 Q N -0.209 119.478 119.800 -0.189 0.000 2.030 211 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 211 Q C 2.003 177.828 176.000 -0.292 0.000 0.986 211 Q CA 1.223 56.929 55.803 -0.160 0.000 0.843 211 Q CB -0.725 27.958 28.738 -0.091 0.000 0.904 211 Q HN 0.378 nan 8.270 nan 0.000 0.420 212 L N -0.452 120.521 121.223 -0.417 0.000 2.012 212 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 212 L C 1.992 178.410 176.870 -0.753 0.000 1.073 212 L CA 1.708 56.144 54.840 -0.674 0.000 0.748 212 L CB -0.803 40.801 42.059 -0.759 0.000 0.891 212 L HN 0.276 nan 8.230 nan 0.000 0.431 213 F N -0.027 119.535 119.950 -0.647 0.000 2.234 213 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 213 F C 2.585 178.052 175.800 -0.555 0.000 1.087 213 F CA 0.903 58.588 58.000 -0.525 0.000 1.340 213 F CB -0.992 37.862 39.000 -0.244 0.000 1.031 213 F HN 0.162 nan 8.300 nan 0.000 0.500 214 R N 0.051 120.411 120.500 -0.233 0.000 2.092 214 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 214 R C 2.260 178.380 176.300 -0.299 0.000 1.119 214 R CA 1.285 57.252 56.100 -0.221 0.000 0.970 214 R CB -0.482 29.753 30.300 -0.109 0.000 0.864 214 R HN 0.252 nan 8.270 nan 0.000 0.440 215 I N 0.211 120.472 120.570 -0.515 0.000 2.179 215 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 215 I C 1.859 177.970 176.117 -0.009 0.000 1.088 215 I CA 1.182 62.067 61.300 -0.693 0.000 1.357 215 I CB -0.257 37.452 38.000 -0.485 0.000 1.051 215 I HN 0.031 nan 8.210 nan 0.000 0.409 216 F N 1.436 121.339 119.950 -0.078 0.000 2.134 216 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 216 F C 2.670 178.414 175.800 -0.093 0.000 1.097 216 F CA 1.253 59.303 58.000 0.084 0.000 1.264 216 F CB -1.254 37.886 39.000 0.232 0.000 1.001 216 F HN 0.039 nan 8.300 nan 0.000 0.479 217 R N -0.746 119.500 120.500 -0.423 0.000 2.152 217 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 217 R C 1.890 178.107 176.300 -0.139 0.000 1.117 217 R CA 1.716 57.432 56.100 -0.639 0.000 0.981 217 R CB -0.703 29.086 30.300 -0.852 0.000 0.870 217 R HN 0.258 nan 8.270 nan 0.000 0.451 218 T N 0.456 115.010 114.554 0.000 0.000 2.904 218 T HA 0.051 4.401 4.350 -0.000 0.000 0.243 218 T C 1.298 176.106 174.700 0.180 0.000 1.024 218 T CA 0.435 62.597 62.100 0.104 0.000 1.158 218 T CB 0.081 69.094 68.868 0.241 0.000 0.867 218 T HN -0.029 nan 8.240 nan 0.000 0.429 219 L N 0.852 122.223 121.223 0.246 0.000 2.591 219 L HA 0.423 4.763 4.340 -0.000 0.000 0.228 219 L C 1.246 178.363 176.870 0.411 0.000 1.133 219 L CA 0.446 55.470 54.840 0.307 0.000 0.880 219 L CB -1.175 40.996 42.059 0.187 0.000 1.033 219 L HN 0.515 nan 8.230 nan 0.000 0.450 220 G N -0.768 108.258 108.800 0.376 0.000 2.721 220 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 220 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 220 G C -0.099 174.957 174.900 0.260 0.000 1.236 220 G CA -0.520 44.780 45.100 0.333 0.000 0.786 220 G HN -0.009 nan 8.290 nan 0.000 0.616 221 T N 4.876 119.481 114.554 0.086 0.000 2.817 221 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 221 T C -1.172 173.311 174.700 -0.362 0.000 0.958 221 T CA 0.265 62.138 62.100 -0.378 0.000 1.157 221 T CB 1.095 69.806 68.868 -0.262 0.000 0.898 221 T HN 0.664 nan 8.240 nan 0.000 0.536 222 P HA 0.285 nan 4.420 nan 0.000 0.272 222 P C -0.911 176.266 177.300 -0.204 0.000 1.223 222 P CA -0.357 62.462 63.100 -0.468 0.000 0.784 222 P CB 0.840 32.097 31.700 -0.739 0.000 0.923 223 D N -0.588 119.756 120.400 -0.093 0.000 2.781 223 D HA 0.168 4.808 4.640 -0.000 0.000 0.295 223 D C 0.774 177.040 176.300 -0.056 0.000 1.143 223 D CA -0.575 53.379 54.000 -0.076 0.000 1.076 223 D CB 0.093 40.872 40.800 -0.036 0.000 1.444 223 D HN 0.127 nan 8.370 nan 0.000 0.567 224 E N -0.504 119.652 120.200 -0.072 0.000 2.268 224 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 224 E C 1.955 178.563 176.600 0.013 0.000 0.995 224 E CA 0.504 56.874 56.400 -0.050 0.000 0.836 224 E CB -0.040 29.617 29.700 -0.072 0.000 0.763 224 E HN 0.341 nan 8.360 nan 0.000 0.491 225 V N 1.135 121.062 119.914 0.022 0.000 2.323 225 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 225 V C 2.599 178.735 176.094 0.069 0.000 1.041 225 V CA 1.772 64.094 62.300 0.038 0.000 1.025 225 V CB -0.596 31.247 31.823 0.033 0.000 0.656 225 V HN 0.232 nan 8.190 nan 0.000 0.451 226 V N -4.563 115.412 119.914 0.101 0.000 2.878 226 V HA 0.063 4.183 4.120 -0.000 0.000 0.250 226 V C 0.810 177.041 176.094 0.228 0.000 1.075 226 V CA 0.517 62.905 62.300 0.147 0.000 1.096 226 V CB -0.005 31.934 31.823 0.194 0.000 0.724 226 V HN 0.573 nan 8.190 nan 0.000 0.467 227 W N 2.515 123.812 121.300 -0.005 0.000 2.481 227 W HA 0.633 5.293 4.660 -0.000 0.000 0.285 227 W C -3.396 173.099 176.519 -0.041 0.000 1.017 227 W CA -3.429 53.915 57.345 -0.002 0.000 1.499 227 W CB 0.982 30.432 29.460 -0.017 0.000 1.381 227 W HN 0.114 nan 8.180 nan 0.000 0.390 228 P HA 0.266 nan 4.420 nan 0.000 0.267 228 P C 0.794 178.118 177.300 0.039 0.000 1.209 228 P CA 1.919 65.082 63.100 0.104 0.000 0.763 228 P CB 0.932 32.695 31.700 0.105 0.000 0.816 229 G N 2.028 110.757 108.800 -0.119 0.000 2.195 229 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.246 229 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.246 229 G C 1.004 175.651 174.900 -0.423 0.000 0.984 229 G CA 0.160 45.148 45.100 -0.186 0.000 0.633 229 G HN 0.497 nan 8.290 nan 0.000 0.525 230 V N 1.860 121.353 119.914 -0.702 0.000 2.332 230 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 230 V C 3.018 178.568 176.094 -0.906 0.000 1.055 230 V CA 3.910 65.567 62.300 -1.072 0.000 1.038 230 V CB -0.558 30.561 31.823 -1.174 0.000 0.651 230 V HN 1.140 nan 8.190 nan 0.000 0.450 231 T N -3.227 110.798 114.554 -0.883 0.000 3.098 231 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 231 T C 1.505 175.909 174.700 -0.493 0.000 1.145 231 T CA 1.349 62.794 62.100 -1.092 0.000 1.092 231 T CB -0.207 68.265 68.868 -0.660 0.000 0.908 231 T HN 0.467 nan 8.240 nan 0.000 0.526 232 S N 0.595 116.092 115.700 -0.339 0.000 2.540 232 S HA 0.395 4.865 4.470 -0.000 0.000 0.218 232 S C 0.663 175.197 174.600 -0.110 0.000 0.977 232 S CA -0.443 57.660 58.200 -0.161 0.000 0.918 232 S CB -0.134 62.992 63.200 -0.123 0.000 0.806 232 S HN 0.435 nan 8.310 nan 0.000 0.496 233 M N 2.243 121.749 119.600 -0.157 0.000 2.249 233 M HA 0.099 4.579 4.480 -0.000 0.000 0.340 233 M C -1.602 174.716 176.300 0.031 0.000 1.166 233 M CA -1.422 53.839 55.300 -0.065 0.000 1.115 233 M CB -0.400 32.142 32.600 -0.098 0.000 1.606 233 M HN -0.117 nan 8.290 nan 0.000 0.448 234 P HA -0.188 nan 4.420 nan 0.000 0.217 234 P C 0.318 177.653 177.300 0.058 0.000 1.158 234 P CA 1.569 64.693 63.100 0.039 0.000 0.887 234 P CB 0.193 31.912 31.700 0.033 0.000 0.792 235 D N -3.462 116.994 120.400 0.093 0.000 2.340 235 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 235 D C 0.245 176.650 176.300 0.175 0.000 1.081 235 D CA -0.162 53.906 54.000 0.113 0.000 0.842 235 D CB -0.641 40.229 40.800 0.116 0.000 0.934 235 D HN 0.225 nan 8.370 nan 0.000 0.511 236 Y N 2.079 122.399 120.300 0.033 0.000 2.425 236 Y HA 0.160 4.710 4.550 -0.000 0.000 0.331 236 Y C 0.013 175.684 175.900 -0.382 0.000 1.157 236 Y CA 0.003 58.085 58.100 -0.030 0.000 1.372 236 Y CB 0.497 38.927 38.460 -0.049 0.000 1.253 236 Y HN -0.373 nan 8.280 nan 0.000 0.536 237 K N 7.345 126.640 120.400 -1.841 0.000 2.378 237 K HA 0.285 4.605 4.320 -0.000 0.000 0.252 237 K C -2.353 173.406 176.600 -1.402 0.000 0.931 237 K CA -2.072 53.439 56.287 -1.293 0.000 0.794 237 K CB 1.643 33.507 32.500 -1.060 0.000 1.181 237 K HN 0.371 nan 8.250 nan 0.000 0.425 238 P HA -0.124 nan 4.420 nan 0.000 0.222 238 P C 0.810 177.932 177.300 -0.296 0.000 1.147 238 P CA 1.052 63.960 63.100 -0.320 0.000 0.790 238 P CB 0.312 31.933 31.700 -0.132 0.000 0.780 239 S N -2.361 113.139 115.700 -0.333 0.000 2.650 239 S HA 0.039 4.509 4.470 -0.000 0.000 0.219 239 S C 0.496 175.053 174.600 -0.071 0.000 0.960 239 S CA -0.237 57.856 58.200 -0.178 0.000 0.925 239 S CB -1.109 62.019 63.200 -0.121 0.000 0.775 239 S HN -0.148 nan 8.310 nan 0.000 0.525 240 F N 3.503 123.357 119.950 -0.159 0.000 2.529 240 F HA 0.411 4.938 4.527 -0.000 0.000 0.365 240 F C -1.921 173.701 175.800 -0.297 0.000 1.102 240 F CA -2.782 55.154 58.000 -0.107 0.000 1.271 240 F CB -0.642 38.344 39.000 -0.024 0.000 1.120 240 F HN 0.056 nan 8.300 nan 0.000 0.579 241 P HA 0.045 nan 4.420 nan 0.000 0.272 241 P C -0.482 176.305 177.300 -0.856 0.000 1.223 241 P CA -0.371 62.261 63.100 -0.780 0.000 0.784 241 P CB 0.569 31.455 31.700 -1.357 0.000 0.923 242 K N 3.453 123.442 120.400 -0.685 0.000 2.264 242 K HA 0.209 4.529 4.320 -0.000 0.000 0.277 242 K C -1.194 175.133 176.600 -0.455 0.000 1.067 242 K CA -0.227 55.806 56.287 -0.424 0.000 0.900 242 K CB 0.314 32.679 32.500 -0.224 0.000 1.124 242 K HN 0.500 nan 8.250 nan 0.000 0.469 243 W N 1.652 122.925 121.300 -0.044 0.000 2.639 243 W HA 0.502 5.162 4.660 -0.000 0.000 0.347 243 W C 0.074 176.604 176.519 0.019 0.000 1.067 243 W CA -1.020 56.322 57.345 -0.005 0.000 1.218 243 W CB 1.742 31.216 29.460 0.024 0.000 1.393 243 W HN 0.528 nan 8.180 nan 0.000 0.557 244 A N 2.329 125.321 122.820 0.286 0.000 2.264 244 A HA 0.586 4.906 4.320 -0.000 0.000 0.304 244 A C 0.013 177.721 177.584 0.207 0.000 1.100 244 A CA -0.701 51.450 52.037 0.191 0.000 0.839 244 A CB 0.687 19.768 19.000 0.136 0.000 1.121 244 A HN 0.658 nan 8.150 nan 0.000 0.496 245 R N 0.664 121.273 120.500 0.182 0.000 2.438 245 R HA 0.197 4.537 4.340 -0.000 0.000 0.287 245 R C -0.518 175.874 176.300 0.155 0.000 1.077 245 R CA -0.300 55.915 56.100 0.192 0.000 1.034 245 R CB 0.374 30.790 30.300 0.195 0.000 0.993 245 R HN 0.750 nan 8.270 nan 0.000 0.459 246 Q N 1.650 121.539 119.800 0.149 0.000 2.221 246 Q HA 0.094 4.434 4.340 -0.000 0.000 0.242 246 Q C -0.731 175.356 176.000 0.144 0.000 0.940 246 Q CA -0.387 55.480 55.803 0.108 0.000 0.896 246 Q CB 1.130 29.902 28.738 0.056 0.000 1.226 246 Q HN 0.559 nan 8.270 nan 0.000 0.463 247 D N 0.332 120.797 120.400 0.108 0.000 2.390 247 D HA 0.007 4.647 4.640 -0.000 0.000 0.249 247 D C 0.369 176.766 176.300 0.162 0.000 1.144 247 D CA -0.036 54.044 54.000 0.133 0.000 0.880 247 D CB 0.404 41.248 40.800 0.074 0.000 1.182 247 D HN 0.279 nan 8.370 nan 0.000 0.451 248 F N 1.628 121.548 119.950 -0.049 0.000 2.269 248 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 248 F C 2.664 178.406 175.800 -0.097 0.000 1.082 248 F CA 1.243 59.190 58.000 -0.088 0.000 1.360 248 F CB -0.557 38.380 39.000 -0.106 0.000 1.041 248 F HN 0.453 nan 8.300 nan 0.000 0.512 249 S N -0.621 115.138 115.700 0.098 0.000 2.419 249 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 249 S C 2.050 176.631 174.600 -0.031 0.000 1.016 249 S CA 1.181 59.392 58.200 0.019 0.000 0.974 249 S CB -0.515 62.699 63.200 0.022 0.000 0.786 249 S HN 0.473 nan 8.310 nan 0.000 0.492 250 K N 0.615 120.995 120.400 -0.034 0.000 2.314 250 K HA 0.144 4.464 4.320 -0.000 0.000 0.198 250 K C 1.657 178.182 176.600 -0.124 0.000 1.045 250 K CA 0.701 56.951 56.287 -0.062 0.000 0.988 250 K CB 0.047 32.526 32.500 -0.034 0.000 0.783 250 K HN 0.356 nan 8.250 nan 0.000 0.484 251 V N 0.994 120.793 119.914 -0.191 0.000 2.446 251 V HA -0.090 4.030 4.120 -0.000 0.000 0.244 251 V C 1.318 177.207 176.094 -0.341 0.000 1.039 251 V CA 1.150 63.262 62.300 -0.314 0.000 1.045 251 V CB 0.753 32.262 31.823 -0.524 0.000 0.681 251 V HN 0.269 nan 8.190 nan 0.000 0.459 252 V N -1.082 118.637 119.914 -0.325 0.000 2.592 252 V HA 0.469 4.589 4.120 -0.000 0.000 0.278 252 V C -2.482 173.495 176.094 -0.196 0.000 1.087 252 V CA -1.863 60.255 62.300 -0.302 0.000 1.282 252 V CB 0.066 31.642 31.823 -0.411 0.000 1.543 252 V HN 0.289 nan 8.190 nan 0.000 0.606 253 P HA 0.424 nan 4.420 nan 0.000 0.277 253 P C -2.603 174.642 177.300 -0.092 0.000 1.240 253 P CA -1.355 61.687 63.100 -0.097 0.000 0.798 253 P CB 1.456 33.110 31.700 -0.077 0.000 0.979 254 P HA 0.261 nan 4.420 nan 0.000 0.209 254 P C -0.521 176.765 177.300 -0.023 0.000 1.872 254 P CA -0.633 62.444 63.100 -0.038 0.000 1.020 254 P CB 0.105 31.791 31.700 -0.023 0.000 1.813 255 L N 2.668 123.861 121.223 -0.051 0.000 2.410 255 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 255 L C 0.530 177.400 176.870 -0.001 0.000 1.152 255 L CA 0.190 55.009 54.840 -0.035 0.000 0.855 255 L CB 0.099 42.069 42.059 -0.148 0.000 1.129 255 L HN 0.163 nan 8.230 nan 0.000 0.463 256 D N 1.813 122.249 120.400 0.061 0.000 2.384 256 D HA 0.014 4.654 4.640 -0.000 0.000 0.244 256 D C 0.818 177.150 176.300 0.053 0.000 1.251 256 D CA -0.228 53.813 54.000 0.069 0.000 0.961 256 D CB 0.495 41.361 40.800 0.112 0.000 1.116 256 D HN 0.583 nan 8.370 nan 0.000 0.484 257 E N -0.569 119.664 120.200 0.055 0.000 2.097 257 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 257 E C 1.335 177.976 176.600 0.068 0.000 1.000 257 E CA 1.652 58.079 56.400 0.045 0.000 0.804 257 E CB -0.140 29.585 29.700 0.041 0.000 0.740 257 E HN 0.447 nan 8.360 nan 0.000 0.454 258 D N -1.024 119.459 120.400 0.138 0.000 2.104 258 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 258 D C 1.913 178.268 176.300 0.091 0.000 0.994 258 D CA 1.489 55.643 54.000 0.255 0.000 0.830 258 D CB -0.711 40.318 40.800 0.382 0.000 0.959 258 D HN 0.351 nan 8.370 nan 0.000 0.452 259 G N 0.662 109.392 108.800 -0.118 0.000 2.421 259 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 259 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 259 G C 1.757 176.446 174.900 -0.352 0.000 1.171 259 G CA 0.388 45.071 45.100 -0.695 0.000 0.775 259 G HN 0.206 nan 8.290 nan 0.000 0.543 260 R N 0.167 120.570 120.500 -0.162 0.000 2.081 260 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 260 R C 2.954 179.193 176.300 -0.101 0.000 1.131 260 R CA 1.379 57.442 56.100 -0.062 0.000 0.960 260 R CB -0.430 29.878 30.300 0.015 0.000 0.856 260 R HN 0.433 nan 8.270 nan 0.000 0.436 261 S N 0.954 116.604 115.700 -0.083 0.000 2.356 261 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 261 S C 1.927 176.444 174.600 -0.139 0.000 1.032 261 S CA 1.159 59.325 58.200 -0.056 0.000 1.005 261 S CB -0.183 63.086 63.200 0.115 0.000 0.867 261 S HN 0.239 nan 8.310 nan 0.000 0.449 262 L N 1.372 122.390 121.223 -0.342 0.000 2.017 262 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 262 L C 2.232 178.969 176.870 -0.223 0.000 1.073 262 L CA 1.906 56.412 54.840 -0.556 0.000 0.745 262 L CB -1.090 40.458 42.059 -0.851 0.000 0.894 262 L HN 0.472 nan 8.230 nan 0.000 0.432 263 L N -0.398 120.753 121.223 -0.120 0.000 2.079 263 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 263 L C 2.698 179.550 176.870 -0.030 0.000 1.081 263 L CA 2.186 57.008 54.840 -0.030 0.000 0.752 263 L CB -0.897 41.082 42.059 -0.134 0.000 0.896 263 L HN 0.608 nan 8.230 nan 0.000 0.433 264 S N -1.792 113.808 115.700 -0.166 0.000 2.423 264 S HA -0.214 4.256 4.470 -0.000 0.000 0.231 264 S C 1.853 176.125 174.600 -0.546 0.000 1.014 264 S CA 1.065 58.987 58.200 -0.463 0.000 0.965 264 S CB -0.581 62.082 63.200 -0.895 0.000 0.785 264 S HN 0.678 nan 8.310 nan 0.000 0.495 265 Q N 0.255 119.801 119.800 -0.424 0.000 2.245 265 Q HA 0.178 4.518 4.340 -0.000 0.000 0.201 265 Q C 2.162 178.015 176.000 -0.245 0.000 0.955 265 Q CA 1.123 56.660 55.803 -0.442 0.000 0.870 265 Q CB -0.274 28.384 28.738 -0.134 0.000 0.945 265 Q HN 0.633 nan 8.270 nan 0.000 0.461 266 M N -0.117 119.391 119.600 -0.154 0.000 2.288 266 M HA -0.054 4.426 4.480 -0.000 0.000 0.266 266 M C 1.205 177.442 176.300 -0.106 0.000 1.072 266 M CA 1.047 56.311 55.300 -0.060 0.000 1.132 266 M CB 0.238 32.821 32.600 -0.029 0.000 1.386 266 M HN 0.133 nan 8.290 nan 0.000 0.432 267 L N -0.884 120.207 121.223 -0.220 0.000 2.728 267 L HA 0.157 4.497 4.340 -0.000 0.000 0.235 267 L C -0.039 176.809 176.870 -0.038 0.000 1.197 267 L CA -0.341 54.301 54.840 -0.329 0.000 0.992 267 L CB -0.780 41.039 42.059 -0.400 0.000 1.263 267 L HN 0.219 nan 8.230 nan 0.000 0.484 268 H N -1.447 117.650 119.070 0.045 0.000 2.886 268 H HA -0.040 4.516 4.556 -0.000 0.000 0.329 268 H C 0.524 175.892 175.328 0.067 0.000 1.044 268 H CA -0.204 55.866 56.048 0.038 0.000 1.456 268 H CB 0.970 30.745 29.762 0.021 0.000 1.464 268 H HN 0.033 nan 8.280 nan 0.000 0.573 269 Y N 0.823 121.218 120.300 0.157 0.000 2.128 269 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 269 Y C 1.432 176.760 175.900 -0.952 0.000 1.154 269 Y CA 1.416 59.375 58.100 -0.235 0.000 1.149 269 Y CB -0.076 38.357 38.460 -0.044 0.000 0.976 269 Y HN 0.642 nan 8.280 nan 0.000 0.505 270 D N 0.393 120.444 120.400 -0.581 0.000 2.346 270 D HA 0.040 4.680 4.640 -0.000 0.000 0.260 270 D C -1.949 174.164 176.300 -0.313 0.000 1.252 270 D CA -1.936 51.626 54.000 -0.730 0.000 0.895 270 D CB 1.135 41.762 40.800 -0.288 0.000 1.097 270 D HN 0.037 nan 8.370 nan 0.000 0.489 271 P HA -0.136 nan 4.420 nan 0.000 0.217 271 P C 0.497 177.809 177.300 0.020 0.000 1.148 271 P CA 1.291 64.366 63.100 -0.042 0.000 0.828 271 P CB 0.204 31.922 31.700 0.031 0.000 0.783 272 N N -1.256 117.453 118.700 0.015 0.000 2.396 272 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 272 N C 1.494 177.020 175.510 0.027 0.000 1.028 272 N CA 0.608 53.679 53.050 0.035 0.000 0.893 272 N CB -0.138 38.376 38.487 0.046 0.000 0.967 272 N HN 0.173 nan 8.380 nan 0.000 0.440 273 K N 0.490 120.887 120.400 -0.004 0.000 2.262 273 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 273 K C 0.431 177.111 176.600 0.133 0.000 1.049 273 K CA 0.007 56.280 56.287 -0.022 0.000 0.979 273 K CB 0.264 32.628 32.500 -0.227 0.000 0.773 273 K HN 0.080 nan 8.250 nan 0.000 0.474 274 R N 1.976 122.573 120.500 0.161 0.000 2.538 274 R HA 0.027 4.366 4.340 -0.000 0.000 0.282 274 R C 0.094 176.495 176.300 0.170 0.000 1.009 274 R CA -0.015 56.213 56.100 0.213 0.000 1.063 274 R CB 0.175 30.580 30.300 0.175 0.000 0.945 274 R HN 0.135 nan 8.270 nan 0.000 0.414 275 I N 3.299 123.967 120.570 0.163 0.000 2.775 275 I HA -0.109 4.061 4.170 -0.000 0.000 0.290 275 I C 0.446 176.645 176.117 0.136 0.000 1.203 275 I CA 0.529 61.913 61.300 0.139 0.000 1.433 275 I CB 0.672 38.744 38.000 0.120 0.000 1.354 275 I HN 0.758 nan 8.210 nan 0.000 0.579 276 S N 5.822 121.601 115.700 0.131 0.000 2.632 276 S HA 0.392 4.862 4.470 -0.000 0.000 0.267 276 S C 1.040 175.732 174.600 0.153 0.000 1.276 276 S CA -0.239 58.045 58.200 0.141 0.000 0.998 276 S CB 1.635 64.906 63.200 0.118 0.000 0.953 276 S HN 0.791 nan 8.310 nan 0.000 0.547 277 A N 1.027 123.956 122.820 0.181 0.000 1.933 277 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 277 A C 2.167 179.798 177.584 0.078 0.000 1.175 277 A CA 1.536 53.647 52.037 0.122 0.000 0.628 277 A CB -0.782 18.273 19.000 0.091 0.000 0.814 277 A HN 0.893 nan 8.150 nan 0.000 0.444 278 K N -0.559 119.892 120.400 0.085 0.000 2.097 278 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 278 K C 2.105 178.763 176.600 0.096 0.000 1.050 278 K CA 0.939 57.265 56.287 0.065 0.000 0.938 278 K CB -0.215 32.321 32.500 0.059 0.000 0.718 278 K HN 0.416 nan 8.250 nan 0.000 0.442 279 A N 0.682 123.573 122.820 0.118 0.000 1.968 279 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 279 A C 2.168 179.874 177.584 0.204 0.000 1.169 279 A CA 1.460 53.583 52.037 0.144 0.000 0.638 279 A CB -0.409 18.672 19.000 0.134 0.000 0.812 279 A HN 0.375 nan 8.150 nan 0.000 0.446 280 A N -0.272 122.674 122.820 0.209 0.000 2.015 280 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 280 A C 1.981 179.830 177.584 0.441 0.000 1.163 280 A CA 1.098 53.318 52.037 0.305 0.000 0.646 280 A CB -0.497 18.646 19.000 0.239 0.000 0.806 280 A HN 0.462 nan 8.150 nan 0.000 0.448 281 L N -1.197 120.173 121.223 0.246 0.000 2.362 281 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 281 L C 2.551 179.649 176.870 0.381 0.000 1.134 281 L CA 0.828 55.789 54.840 0.202 0.000 0.807 281 L CB -0.208 41.854 42.059 0.004 0.000 0.927 281 L HN 0.436 nan 8.230 nan 0.000 0.447 282 A N -2.533 120.485 122.820 0.331 0.000 2.308 282 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 282 A C 0.873 178.633 177.584 0.292 0.000 1.216 282 A CA -0.245 51.956 52.037 0.273 0.000 0.864 282 A CB -0.415 18.689 19.000 0.174 0.000 0.902 282 A HN 0.278 nan 8.150 nan 0.000 0.499 283 H N 1.538 120.796 119.070 0.314 0.000 2.928 283 H HA 0.053 4.609 4.556 -0.000 0.000 0.338 283 H C -1.491 173.942 175.328 0.175 0.000 1.047 283 H CA -0.695 55.485 56.048 0.220 0.000 1.435 283 H CB 1.201 31.084 29.762 0.201 0.000 1.428 283 H HN 0.102 nan 8.280 nan 0.000 0.590 284 P HA -0.185 nan 4.420 nan 0.000 0.226 284 P C 1.436 178.785 177.300 0.082 0.000 1.146 284 P CA 0.735 63.803 63.100 -0.054 0.000 0.773 284 P CB -0.225 31.387 31.700 -0.145 0.000 0.772 285 F N 0.401 120.407 119.950 0.093 0.000 2.269 285 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 285 F C 1.464 177.074 175.800 -0.315 0.000 1.082 285 F CA 1.196 59.117 58.000 -0.131 0.000 1.360 285 F CB -0.606 38.209 39.000 -0.308 0.000 1.041 285 F HN -0.254 nan 8.300 nan 0.000 0.512 286 F N -0.124 119.857 119.950 0.051 0.000 2.765 286 F HA 0.118 4.645 4.527 -0.000 0.000 0.302 286 F C 2.152 177.833 175.800 -0.200 0.000 1.111 286 F CA 0.127 58.033 58.000 -0.156 0.000 1.359 286 F CB -1.091 37.901 39.000 -0.013 0.000 1.097 286 F HN -0.025 nan 8.300 nan 0.000 0.577 287 Q N 1.447 121.244 119.800 -0.005 0.000 2.173 287 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 287 Q C 1.058 177.012 176.000 -0.077 0.000 0.989 287 Q CA 2.184 57.970 55.803 -0.029 0.000 0.872 287 Q CB -0.259 28.459 28.738 -0.033 0.000 0.909 287 Q HN 0.458 nan 8.270 nan 0.000 0.420 288 D N -1.689 118.637 120.400 -0.124 0.000 2.571 288 D HA 0.066 4.706 4.640 -0.000 0.000 0.239 288 D C -0.129 176.073 176.300 -0.164 0.000 1.267 288 D CA -0.352 53.570 54.000 -0.130 0.000 0.823 288 D CB -0.547 40.183 40.800 -0.116 0.000 1.056 288 D HN 0.104 nan 8.370 nan 0.000 0.494 289 V N 1.436 121.224 119.914 -0.210 0.000 2.872 289 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 289 V C 0.404 176.378 176.094 -0.201 0.000 1.072 289 V CA 0.977 63.134 62.300 -0.240 0.000 1.148 289 V CB 0.936 32.506 31.823 -0.421 0.000 0.954 289 V HN 0.634 nan 8.190 nan 0.000 0.490 290 T N 3.051 117.519 114.554 -0.142 0.000 2.696 290 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 290 T C -0.713 173.951 174.700 -0.059 0.000 1.095 290 T CA -0.870 61.175 62.100 -0.093 0.000 1.026 290 T CB 1.592 70.419 68.868 -0.069 0.000 1.390 290 T HN 0.662 nan 8.240 nan 0.000 0.513 291 K N 1.881 122.261 120.400 -0.033 0.000 2.540 291 K HA 0.482 4.802 4.320 -0.000 0.000 0.218 291 K C -2.671 173.920 176.600 -0.015 0.000 1.017 291 K CA -1.614 54.667 56.287 -0.010 0.000 1.029 291 K CB 0.458 32.966 32.500 0.013 0.000 1.348 291 K HN 0.421 nan 8.250 nan 0.000 0.508 292 P HA 0.103 nan 4.420 nan 0.000 0.276 292 P C -0.954 176.331 177.300 -0.024 0.000 1.252 292 P CA -0.785 62.301 63.100 -0.025 0.000 0.802 292 P CB 0.901 32.582 31.700 -0.033 0.000 1.035 293 V N -1.502 118.411 119.914 -0.002 0.000 2.427 293 V HA 0.569 4.689 4.120 -0.000 0.000 0.286 293 V C -2.051 174.041 176.094 -0.004 0.000 1.034 293 V CA -2.062 60.235 62.300 -0.005 0.000 0.893 293 V CB 0.708 32.536 31.823 0.007 0.000 0.982 293 V HN 0.490 nan 8.190 nan 0.000 0.452 294 P HA 0.249 nan 4.420 nan 0.000 0.275 294 P C -0.744 176.526 177.300 -0.050 0.000 1.270 294 P CA -0.140 62.826 63.100 -0.224 0.000 0.791 294 P CB 0.236 31.669 31.700 -0.445 0.000 1.089 295 H N -1.048 118.158 119.070 0.227 0.000 2.369 295 H HA 0.537 5.093 4.556 -0.000 0.000 0.228 295 H C -0.256 175.226 175.328 0.257 0.000 1.548 295 H CA -0.855 55.312 56.048 0.199 0.000 1.275 295 H CB -0.593 29.281 29.762 0.186 0.000 1.549 295 H HN 0.045 nan 8.280 nan 0.000 0.542 296 L N 1.908 123.213 121.223 0.136 0.000 2.350 296 L HA 0.380 4.720 4.340 -0.000 0.000 0.275 296 L C 0.253 177.186 176.870 0.104 0.000 1.099 296 L CA -0.326 54.580 54.840 0.109 0.000 0.808 296 L CB 1.030 43.083 42.059 -0.011 0.000 1.149 296 L HN 0.477 nan 8.230 nan 0.000 0.442 297 R N 3.384 123.953 120.500 0.114 0.000 2.472 297 R HA 0.543 4.883 4.340 -0.000 0.000 0.294 297 R C -1.412 174.932 176.300 0.074 0.000 1.243 297 R CA -0.188 55.963 56.100 0.085 0.000 1.023 297 R CB 0.251 30.606 30.300 0.092 0.000 1.157 297 R HN 0.570 nan 8.270 nan 0.000 0.530 298 L N 0.000 121.251 121.223 0.047 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.874 54.840 0.056 0.000 0.813 298 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502