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 2c5x_1_C DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE 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 KPVPHL 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 0.000 176.344 176.300 0.074 0.000 1.140 1 M CA 0.000 55.336 55.300 0.060 0.000 0.988 1 M CB 0.000 32.520 32.600 -0.133 0.000 1.302 2 E N 0.727 120.943 120.200 0.028 0.000 2.455 2 E HA -0.030 4.320 4.350 -0.001 0.000 0.202 2 E C 0.333 176.908 176.600 -0.041 0.000 1.045 2 E CA 1.291 57.688 56.400 -0.005 0.000 0.872 2 E CB -0.430 29.265 29.700 -0.009 0.000 0.792 2 E HN 0.560 nan 8.360 nan 0.000 0.542 3 N N 0.183 118.832 118.700 -0.083 0.000 2.204 3 N HA 0.118 4.858 4.740 -0.001 0.000 0.219 3 N C -0.743 174.507 175.510 -0.433 0.000 1.151 3 N CA 0.032 52.931 53.050 -0.252 0.000 0.867 3 N CB 0.353 38.618 38.487 -0.370 0.000 1.043 3 N HN 0.084 nan 8.380 nan 0.000 0.516 4 F N 1.123 121.015 119.950 -0.097 0.000 2.458 4 F HA 0.374 4.900 4.527 -0.000 0.000 0.330 4 F C 0.590 176.327 175.800 -0.104 0.000 1.082 4 F CA -1.281 56.660 58.000 -0.098 0.000 0.995 4 F CB 1.472 40.402 39.000 -0.117 0.000 1.170 4 F HN -0.179 nan 8.300 nan 0.000 0.478 5 Q N 3.030 122.890 119.800 0.100 0.000 2.339 5 Q HA 0.324 4.663 4.340 -0.001 0.000 0.268 5 Q C -1.482 174.532 176.000 0.024 0.000 1.027 5 Q CA -0.912 54.904 55.803 0.022 0.000 0.759 5 Q CB 1.260 29.995 28.738 -0.006 0.000 1.244 5 Q HN 0.593 nan 8.270 nan 0.000 0.464 6 K N 2.491 122.878 120.400 -0.022 0.000 2.379 6 K HA 0.184 4.504 4.320 -0.001 0.000 0.284 6 K C -0.228 176.379 176.600 0.012 0.000 1.044 6 K CA -0.446 55.819 56.287 -0.037 0.000 0.974 6 K CB 1.278 33.646 32.500 -0.219 0.000 0.962 6 K HN 0.427 nan 8.250 nan 0.000 0.474 7 V N 1.995 121.946 119.914 0.061 0.000 2.391 7 V HA -0.075 4.044 4.120 -0.001 0.000 0.237 7 V C 0.274 176.434 176.094 0.109 0.000 1.046 7 V CA 1.013 63.347 62.300 0.056 0.000 1.053 7 V CB -0.413 31.416 31.823 0.010 0.000 0.704 7 V HN 0.942 nan 8.190 nan 0.000 0.475 8 E N -0.599 119.707 120.200 0.176 0.000 2.352 8 E HA 0.298 4.647 4.350 -0.001 0.000 0.280 8 E C -1.147 175.617 176.600 0.273 0.000 0.930 8 E CA -0.965 55.567 56.400 0.220 0.000 0.765 8 E CB 1.777 31.546 29.700 0.114 0.000 1.219 8 E HN 0.033 nan 8.360 nan 0.000 0.434 9 K N 3.042 123.568 120.400 0.211 0.000 2.464 9 K HA -0.122 4.198 4.320 -0.001 0.000 0.265 9 K C 0.650 177.158 176.600 -0.153 0.000 1.055 9 K CA 0.763 56.823 56.287 -0.379 0.000 1.161 9 K CB 0.158 32.540 32.500 -0.196 0.000 0.804 9 K HN 0.683 nan 8.250 nan 0.000 0.486 10 I N 0.798 121.260 120.570 -0.181 0.000 4.288 10 I HA 0.303 4.472 4.170 -0.001 0.000 0.331 10 I C 0.701 176.752 176.117 -0.110 0.000 1.322 10 I CA -0.300 60.954 61.300 -0.077 0.000 1.149 10 I CB 0.906 38.919 38.000 0.020 0.000 1.112 10 I HN 0.470 nan 8.210 nan 0.000 0.403 11 G N 1.476 110.171 108.800 -0.173 0.000 2.718 11 G HA2 0.600 4.559 3.960 -0.001 0.000 0.295 11 G HA3 0.600 4.559 3.960 -0.001 0.000 0.295 11 G C -1.563 173.247 174.900 -0.149 0.000 1.421 11 G CA -0.343 44.676 45.100 -0.134 0.000 0.902 11 G HN 0.189 nan 8.290 nan 0.000 0.501 12 E N -0.479 119.659 120.200 -0.103 0.000 2.450 12 E HA 0.879 5.228 4.350 -0.001 0.000 0.248 12 E C 0.208 176.767 176.600 -0.068 0.000 0.930 12 E CA -0.856 55.495 56.400 -0.081 0.000 0.854 12 E CB 1.349 31.006 29.700 -0.071 0.000 1.355 12 E HN 1.704 nan 8.360 nan 0.000 0.402 13 G N -0.126 108.632 108.800 -0.070 0.000 2.380 13 G HA2 0.432 4.391 3.960 -0.001 0.000 0.250 13 G HA3 0.432 4.391 3.960 -0.001 0.000 0.250 13 G C 0.159 174.998 174.900 -0.101 0.000 1.578 13 G CA 0.249 45.304 45.100 -0.075 0.000 0.974 13 G HN 1.249 nan 8.290 nan 0.000 0.680 14 T N 0.502 114.936 114.554 -0.200 0.000 7.087 14 T HA -0.421 3.929 4.350 -0.001 0.000 0.579 14 T C 1.103 175.476 174.700 -0.545 0.000 1.270 14 T CA 2.127 63.925 62.100 -0.503 0.000 3.010 14 T CB -1.041 67.557 68.868 -0.451 0.000 2.108 14 T HN 1.849 nan 8.240 nan 0.000 0.373 15 Y N 2.624 122.932 120.300 0.012 0.000 2.922 15 Y HA 0.510 5.060 4.550 -0.001 0.000 0.379 15 Y C 1.688 177.599 175.900 0.019 0.000 1.057 15 Y CA -0.509 57.599 58.100 0.014 0.000 1.687 15 Y CB -1.386 37.083 38.460 0.015 0.000 1.707 15 Y HN 0.893 nan 8.280 nan 0.000 0.462 16 G N -0.275 108.560 108.800 0.059 0.000 2.727 16 G HA2 0.241 4.201 3.960 -0.001 0.000 0.212 16 G HA3 0.241 4.201 3.960 -0.001 0.000 0.212 16 G C 0.093 175.023 174.900 0.051 0.000 2.076 16 G CA 0.141 45.285 45.100 0.073 0.000 0.744 16 G HN 0.528 nan 8.290 nan 0.000 0.775 17 V N 0.682 120.593 119.914 -0.006 0.000 5.063 17 V HA -0.135 3.985 4.120 -0.001 0.000 0.404 17 V C -0.141 175.919 176.094 -0.057 0.000 0.691 17 V CA -0.222 62.042 62.300 -0.059 0.000 1.536 17 V CB -1.729 30.040 31.823 -0.089 0.000 1.815 17 V HN 0.663 nan 8.190 nan 0.000 0.476 18 V N 7.261 127.115 119.914 -0.101 0.000 2.953 18 V HA 0.594 4.713 4.120 -0.001 0.000 0.304 18 V C 0.153 176.095 176.094 -0.254 0.000 1.073 18 V CA -0.268 62.015 62.300 -0.029 0.000 1.064 18 V CB 1.216 33.023 31.823 -0.026 0.000 1.047 18 V HN 0.851 nan 8.190 nan 0.000 0.478 19 Y N 1.129 121.493 120.300 0.107 0.000 2.524 19 Y HA 0.601 5.151 4.550 -0.000 0.000 0.344 19 Y C 0.135 176.109 175.900 0.123 0.000 1.012 19 Y CA -1.166 56.991 58.100 0.096 0.000 1.068 19 Y CB 1.822 40.325 38.460 0.072 0.000 1.249 19 Y HN 0.675 nan 8.280 nan 0.000 0.468 20 K N 1.530 122.086 120.400 0.260 0.000 2.110 20 K HA 0.938 5.258 4.320 -0.001 0.000 0.263 20 K C -1.224 175.418 176.600 0.071 0.000 0.975 20 K CA -0.188 56.192 56.287 0.155 0.000 0.895 20 K CB 1.661 34.211 32.500 0.083 0.000 1.060 20 K HN 0.780 nan 8.250 nan 0.000 0.448 21 A N 2.251 125.071 122.820 -0.001 0.000 2.490 21 A HA 0.603 4.922 4.320 -0.001 0.000 0.292 21 A C -1.560 176.072 177.584 0.081 0.000 1.047 21 A CA -1.028 51.040 52.037 0.052 0.000 0.632 21 A CB 1.097 20.153 19.000 0.093 0.000 1.323 21 A HN 0.704 nan 8.150 nan 0.000 0.448 22 R N 0.706 121.280 120.500 0.122 0.000 2.628 22 R HA 0.392 4.731 4.340 -0.001 0.000 0.288 22 R C -1.128 175.192 176.300 0.033 0.000 0.980 22 R CA -0.864 55.272 56.100 0.060 0.000 0.891 22 R CB 1.767 32.061 30.300 -0.010 0.000 1.188 22 R HN 0.710 nan 8.270 nan 0.000 0.450 23 N N 3.087 121.761 118.700 -0.044 0.000 2.482 23 N HA 0.037 4.776 4.740 -0.001 0.000 0.242 23 N C 0.398 175.784 175.510 -0.208 0.000 1.100 23 N CA 0.193 53.094 53.050 -0.249 0.000 0.946 23 N CB 0.838 39.212 38.487 -0.188 0.000 1.227 23 N HN 0.516 nan 8.380 nan 0.000 0.508 24 K N 2.354 122.616 120.400 -0.230 0.000 2.089 24 K HA -0.147 4.172 4.320 -0.001 0.000 0.210 24 K C 1.585 178.105 176.600 -0.134 0.000 1.048 24 K CA 1.272 57.470 56.287 -0.148 0.000 0.926 24 K CB 0.207 32.625 32.500 -0.137 0.000 0.714 24 K HN 0.506 nan 8.250 nan 0.000 0.448 25 L N 0.074 121.195 121.223 -0.170 0.000 2.023 25 L HA -0.122 4.218 4.340 -0.001 0.000 0.205 25 L C 2.596 179.406 176.870 -0.100 0.000 1.073 25 L CA 1.727 56.491 54.840 -0.127 0.000 0.745 25 L CB -0.547 41.428 42.059 -0.140 0.000 0.900 25 L HN 0.376 nan 8.230 nan 0.000 0.435 26 T N -4.213 110.275 114.554 -0.111 0.000 3.040 26 T HA 0.190 4.539 4.350 -0.001 0.000 0.250 26 T C 1.404 176.070 174.700 -0.057 0.000 1.058 26 T CA 0.446 62.503 62.100 -0.072 0.000 0.988 26 T CB 0.588 69.419 68.868 -0.062 0.000 0.993 26 T HN 0.458 nan 8.240 nan 0.000 0.519 27 G N 1.945 110.702 108.800 -0.071 0.000 2.187 27 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.261 27 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.261 27 G C -0.126 174.757 174.900 -0.030 0.000 1.000 27 G CA 0.569 45.638 45.100 -0.052 0.000 0.718 27 G HN 0.955 nan 8.290 nan 0.000 0.519 28 E N 0.160 120.348 120.200 -0.020 0.000 2.373 28 E HA 0.389 4.738 4.350 -0.001 0.000 0.267 28 E C 0.359 176.982 176.600 0.039 0.000 1.032 28 E CA -0.502 55.908 56.400 0.017 0.000 0.889 28 E CB 0.876 30.598 29.700 0.036 0.000 0.984 28 E HN 0.100 nan 8.360 nan 0.000 0.425 29 V N 4.240 124.174 119.914 0.032 0.000 3.036 29 V HA 0.404 4.523 4.120 -0.001 0.000 0.308 29 V C 0.548 176.693 176.094 0.086 0.000 1.070 29 V CA 0.179 62.473 62.300 -0.009 0.000 1.056 29 V CB 1.357 33.097 31.823 -0.138 0.000 1.084 29 V HN 0.733 nan 8.190 nan 0.000 0.471 30 V N -0.169 119.797 119.914 0.086 0.000 3.167 30 V HA 0.911 5.031 4.120 -0.001 0.000 0.308 30 V C -0.967 175.286 176.094 0.264 0.000 1.650 30 V CA -0.436 62.005 62.300 0.234 0.000 0.988 30 V CB 1.500 33.454 31.823 0.218 0.000 1.033 30 V HN 1.410 nan 8.190 nan 0.000 0.483 31 A N 1.246 124.239 122.820 0.290 0.000 3.082 31 A HA 0.781 5.100 4.320 -0.001 0.000 0.328 31 A C -0.703 177.059 177.584 0.297 0.000 1.089 31 A CA -0.341 51.903 52.037 0.344 0.000 0.802 31 A CB -0.159 19.065 19.000 0.374 0.000 1.138 31 A HN 0.914 nan 8.150 nan 0.000 0.474 32 L N 1.378 122.731 121.223 0.217 0.000 2.331 32 L HA 0.375 4.715 4.340 -0.001 0.000 0.278 32 L C 0.552 177.606 176.870 0.307 0.000 1.106 32 L CA -0.127 54.821 54.840 0.179 0.000 0.824 32 L CB 1.256 43.356 42.059 0.069 0.000 1.142 32 L HN 0.514 nan 8.230 nan 0.000 0.443 33 K N 4.752 125.354 120.400 0.336 0.000 2.394 33 K HA 0.276 4.596 4.320 -0.001 0.000 0.260 33 K C -0.744 176.014 176.600 0.263 0.000 0.967 33 K CA -0.716 55.755 56.287 0.307 0.000 0.855 33 K CB 1.206 33.913 32.500 0.345 0.000 1.101 33 K HN 0.519 nan 8.250 nan 0.000 0.433 34 K N 4.764 125.314 120.400 0.250 0.000 2.183 34 K HA 0.352 4.671 4.320 -0.001 0.000 0.274 34 K C -0.858 175.741 176.600 -0.002 0.000 1.009 34 K CA -0.534 55.772 56.287 0.032 0.000 0.888 34 K CB 0.968 33.509 32.500 0.069 0.000 1.078 34 K HN 0.378 nan 8.250 nan 0.000 0.459 35 I N 3.387 123.891 120.570 -0.110 0.000 2.378 35 I HA 0.275 4.445 4.170 -0.001 0.000 0.291 35 I C 0.265 176.334 176.117 -0.079 0.000 0.992 35 I CA -1.024 60.256 61.300 -0.033 0.000 1.154 35 I CB 1.662 39.666 38.000 0.006 0.000 1.315 35 I HN 0.497 nan 8.210 nan 0.000 0.448 36 R N 6.737 127.230 120.500 -0.011 0.000 2.399 36 R HA 0.230 4.569 4.340 -0.001 0.000 0.324 36 R C -0.224 176.077 176.300 0.002 0.000 1.030 36 R CA 0.102 56.198 56.100 -0.006 0.000 0.984 36 R CB 0.439 30.751 30.300 0.020 0.000 0.961 36 R HN 0.619 nan 8.270 nan 0.000 0.433 37 L N 3.900 125.112 121.223 -0.018 0.000 3.193 37 L HA 0.122 4.462 4.340 -0.001 0.000 0.305 37 L C -0.665 176.200 176.870 -0.009 0.000 1.299 37 L CA -0.523 54.309 54.840 -0.015 0.000 0.904 37 L CB 0.528 42.565 42.059 -0.037 0.000 1.331 37 L HN 0.567 nan 8.230 nan 0.000 0.588 38 D N -0.549 119.852 120.400 0.001 0.000 2.854 38 D HA -0.157 4.483 4.640 -0.001 0.000 0.243 38 D C 1.106 177.406 176.300 0.000 0.000 1.243 38 D CA 0.470 54.471 54.000 0.003 0.000 0.883 38 D CB 0.178 40.983 40.800 0.008 0.000 1.145 38 D HN -0.026 nan 8.370 nan 0.000 0.555 39 T N 0.874 115.426 114.554 -0.004 0.000 3.858 39 T HA -0.162 4.188 4.350 -0.001 0.000 0.269 39 T C 0.988 175.686 174.700 -0.003 0.000 1.200 39 T CA 1.177 63.273 62.100 -0.006 0.000 1.049 39 T CB -0.248 68.615 68.868 -0.008 0.000 0.979 39 T HN 0.521 nan 8.240 nan 0.000 0.595 40 E N -0.766 119.434 120.200 0.001 0.000 3.441 40 E HA 0.082 4.432 4.350 -0.001 0.000 0.195 40 E C 1.929 178.532 176.600 0.005 0.000 1.172 40 E CA 0.813 57.214 56.400 0.003 0.000 1.457 40 E CB -0.162 29.541 29.700 0.006 0.000 1.388 40 E HN 0.408 nan 8.360 nan 0.000 0.551 41 T N 0.185 114.745 114.554 0.010 0.000 2.893 41 T HA -0.057 4.292 4.350 -0.001 0.000 0.208 41 T C 0.931 175.637 174.700 0.010 0.000 1.414 41 T CA 1.203 63.312 62.100 0.015 0.000 1.641 41 T CB -0.371 68.512 68.868 0.026 0.000 0.974 41 T HN 0.055 nan 8.240 nan 0.000 0.361 42 E N 1.050 121.255 120.200 0.009 0.000 2.714 42 E HA 0.392 4.741 4.350 -0.001 0.000 0.219 42 E C 0.884 177.479 176.600 -0.008 0.000 0.979 42 E CA 0.439 56.839 56.400 0.001 0.000 1.092 42 E CB 0.731 30.433 29.700 0.002 0.000 1.049 42 E HN 0.861 nan 8.360 nan 0.000 0.487 43 G N 0.741 109.536 108.800 -0.008 0.000 2.587 43 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.212 43 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.212 43 G C -0.120 174.770 174.900 -0.016 0.000 1.327 43 G CA -0.469 44.623 45.100 -0.013 0.000 0.898 43 G HN 0.031 nan 8.290 nan 0.000 0.551 44 V N 3.336 123.240 119.914 -0.017 0.000 2.720 44 V HA 0.306 4.426 4.120 -0.001 0.000 0.307 44 V C -0.844 175.219 176.094 -0.052 0.000 1.071 44 V CA 0.456 62.742 62.300 -0.022 0.000 1.199 44 V CB 0.567 32.387 31.823 -0.004 0.000 0.900 44 V HN 0.768 nan 8.190 nan 0.000 0.494 45 P HA 0.201 nan 4.420 nan 0.000 0.277 45 P C 0.783 177.977 177.300 -0.177 0.000 1.240 45 P CA -0.311 62.681 63.100 -0.180 0.000 0.798 45 P CB 1.184 32.665 31.700 -0.364 0.000 0.979 46 S N 1.355 116.955 115.700 -0.167 0.000 2.359 46 S HA -0.221 4.249 4.470 -0.001 0.000 0.224 46 S C 1.905 176.438 174.600 -0.111 0.000 1.035 46 S CA 2.250 60.384 58.200 -0.110 0.000 1.018 46 S CB -2.079 61.074 63.200 -0.077 0.000 0.876 46 S HN 0.686 nan 8.310 nan 0.000 0.448 47 T N 1.205 115.650 114.554 -0.181 0.000 2.649 47 T HA -0.229 4.121 4.350 -0.001 0.000 0.268 47 T C 1.964 176.633 174.700 -0.052 0.000 1.036 47 T CA 2.270 64.301 62.100 -0.116 0.000 1.157 47 T CB -1.378 67.403 68.868 -0.146 0.000 0.861 47 T HN 0.759 nan 8.240 nan 0.000 0.445 48 A N 1.971 124.744 122.820 -0.078 0.000 1.877 48 A HA 0.098 4.418 4.320 -0.001 0.000 0.216 48 A C 2.588 180.169 177.584 -0.006 0.000 1.186 48 A CA 1.573 53.601 52.037 -0.015 0.000 0.620 48 A CB -0.738 18.246 19.000 -0.026 0.000 0.822 48 A HN 0.599 nan 8.150 nan 0.000 0.443 49 I N -0.377 120.181 120.570 -0.021 0.000 2.151 49 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 49 I C 2.684 178.804 176.117 0.006 0.000 1.080 49 I CA 1.987 63.282 61.300 -0.007 0.000 1.339 49 I CB -1.143 36.849 38.000 -0.013 0.000 1.039 49 I HN 0.383 nan 8.210 nan 0.000 0.409 50 R N 0.642 121.149 120.500 0.012 0.000 2.070 50 R HA -0.207 4.132 4.340 -0.001 0.000 0.232 50 R C 2.327 178.661 176.300 0.057 0.000 1.138 50 R CA 1.784 57.906 56.100 0.037 0.000 0.936 50 R CB -0.486 29.840 30.300 0.044 0.000 0.839 50 R HN 0.450 nan 8.270 nan 0.000 0.429 51 E N 0.881 121.129 120.200 0.081 0.000 2.077 51 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 51 E C 1.843 178.482 176.600 0.064 0.000 0.989 51 E CA 1.292 57.779 56.400 0.146 0.000 0.800 51 E CB -0.048 29.774 29.700 0.203 0.000 0.746 51 E HN 0.229 nan 8.360 nan 0.000 0.452 52 I N 1.236 121.823 120.570 0.028 0.000 2.090 52 I HA -0.308 3.862 4.170 -0.001 0.000 0.236 52 I C 2.830 178.923 176.117 -0.040 0.000 1.064 52 I CA 1.675 62.958 61.300 -0.029 0.000 1.324 52 I CB -0.494 37.475 38.000 -0.052 0.000 1.044 52 I HN 0.233 nan 8.210 nan 0.000 0.399 53 S N 0.984 116.671 115.700 -0.021 0.000 2.370 53 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 53 S C 2.070 176.652 174.600 -0.030 0.000 1.033 53 S CA 1.134 59.320 58.200 -0.023 0.000 1.011 53 S CB -0.931 62.265 63.200 -0.006 0.000 0.852 53 S HN 0.374 nan 8.310 nan 0.000 0.457 54 L N 0.026 121.238 121.223 -0.019 0.000 2.027 54 L HA -0.018 4.321 4.340 -0.001 0.000 0.206 54 L C 2.658 179.452 176.870 -0.126 0.000 1.074 54 L CA 0.961 55.783 54.840 -0.030 0.000 0.745 54 L CB -0.717 41.360 42.059 0.030 0.000 0.898 54 L HN 0.330 nan 8.230 nan 0.000 0.433 55 L N 0.785 121.901 121.223 -0.178 0.000 2.187 55 L HA -0.206 4.133 4.340 -0.001 0.000 0.213 55 L C 2.326 179.092 176.870 -0.172 0.000 1.100 55 L CA 1.785 56.462 54.840 -0.272 0.000 0.765 55 L CB -0.640 41.298 42.059 -0.202 0.000 0.904 55 L HN 0.360 nan 8.230 nan 0.000 0.437 56 K N -1.996 118.337 120.400 -0.112 0.000 2.417 56 K HA 0.059 4.379 4.320 -0.001 0.000 0.196 56 K C 1.333 177.893 176.600 -0.066 0.000 1.023 56 K CA 0.417 56.649 56.287 -0.091 0.000 1.122 56 K CB 0.088 32.540 32.500 -0.080 0.000 0.850 56 K HN 0.264 nan 8.250 nan 0.000 0.521 57 E N 0.552 120.710 120.200 -0.069 0.000 2.465 57 E HA 0.198 4.547 4.350 -0.001 0.000 0.209 57 E C -0.363 176.213 176.600 -0.040 0.000 0.951 57 E CA -0.142 56.240 56.400 -0.029 0.000 0.997 57 E CB 0.554 30.249 29.700 -0.009 0.000 1.025 57 E HN 0.257 nan 8.360 nan 0.000 0.500 58 L N 2.335 123.496 121.223 -0.103 0.000 2.270 58 L HA 0.267 4.606 4.340 -0.001 0.000 0.286 58 L C -0.199 176.582 176.870 -0.147 0.000 1.059 58 L CA -0.119 54.644 54.840 -0.128 0.000 0.839 58 L CB 0.586 42.519 42.059 -0.209 0.000 1.221 58 L HN -0.010 nan 8.230 nan 0.000 0.431 59 N N 3.864 122.484 118.700 -0.134 0.000 2.609 59 N HA 0.265 5.005 4.740 -0.001 0.000 0.234 59 N C -1.136 174.218 175.510 -0.259 0.000 1.001 59 N CA -0.388 52.573 53.050 -0.149 0.000 0.926 59 N CB 0.474 38.920 38.487 -0.070 0.000 1.130 59 N HN 0.658 nan 8.380 nan 0.000 0.510 60 H N 2.484 121.313 119.070 -0.401 0.000 3.114 60 H HA 0.167 4.723 4.556 -0.001 0.000 0.325 60 H C -2.261 172.881 175.328 -0.309 0.000 1.206 60 H CA -1.156 54.591 56.048 -0.502 0.000 1.316 60 H CB 1.695 30.837 29.762 -1.033 0.000 1.981 60 H HN 0.203 nan 8.280 nan 0.000 0.527 61 P HA -0.128 nan 4.420 nan 0.000 0.217 61 P C -0.048 177.270 177.300 0.030 0.000 1.148 61 P CA 1.438 64.421 63.100 -0.196 0.000 0.828 61 P CB 0.131 31.618 31.700 -0.355 0.000 0.783 62 N N -1.070 117.830 118.700 0.333 0.000 2.273 62 N HA 0.218 4.957 4.740 -0.001 0.000 0.231 62 N C -0.158 175.382 175.510 0.049 0.000 1.134 62 N CA -0.136 52.997 53.050 0.138 0.000 0.856 62 N CB 0.338 38.923 38.487 0.163 0.000 1.068 62 N HN 0.116 nan 8.380 nan 0.000 0.510 63 I N 1.440 122.045 120.570 0.059 0.000 2.478 63 I HA 0.245 4.415 4.170 -0.001 0.000 0.287 63 I C 0.197 176.328 176.117 0.024 0.000 1.042 63 I CA -1.207 60.110 61.300 0.028 0.000 1.067 63 I CB 1.803 39.757 38.000 -0.077 0.000 1.233 63 I HN -0.201 nan 8.210 nan 0.000 0.431 64 V N 3.834 123.788 119.914 0.067 0.000 2.975 64 V HA -0.111 4.009 4.120 -0.001 0.000 0.300 64 V C 0.423 176.564 176.094 0.078 0.000 1.186 64 V CA -0.062 62.283 62.300 0.075 0.000 1.311 64 V CB -0.273 31.623 31.823 0.122 0.000 0.917 64 V HN 0.920 nan 8.190 nan 0.000 0.512 65 K N 4.155 124.610 120.400 0.091 0.000 2.265 65 K HA 0.563 4.883 4.320 -0.001 0.000 0.267 65 K C -0.834 175.808 176.600 0.070 0.000 0.994 65 K CA -0.910 55.404 56.287 0.046 0.000 0.860 65 K CB 1.475 33.979 32.500 0.007 0.000 1.099 65 K HN 0.646 nan 8.250 nan 0.000 0.448 66 L N 6.565 127.779 121.223 -0.014 0.000 2.369 66 L HA 0.128 4.467 4.340 -0.001 0.000 0.279 66 L C 0.417 177.197 176.870 -0.150 0.000 1.108 66 L CA 0.160 54.889 54.840 -0.185 0.000 0.852 66 L CB 0.363 42.265 42.059 -0.263 0.000 1.169 66 L HN 0.896 nan 8.230 nan 0.000 0.452 67 L N 2.625 123.765 121.223 -0.139 0.000 2.049 67 L HA 0.209 4.549 4.340 -0.001 0.000 0.203 67 L C 0.336 177.157 176.870 -0.082 0.000 1.074 67 L CA 0.730 55.528 54.840 -0.069 0.000 0.749 67 L CB -0.265 41.791 42.059 -0.005 0.000 0.907 67 L HN 0.686 nan 8.230 nan 0.000 0.439 68 D N -2.272 118.054 120.400 -0.124 0.000 2.623 68 D HA 0.392 5.032 4.640 -0.001 0.000 0.241 68 D C -1.398 174.805 176.300 -0.161 0.000 1.241 68 D CA -0.358 53.582 54.000 -0.100 0.000 0.788 68 D CB 2.399 43.187 40.800 -0.020 0.000 1.413 68 D HN -0.288 nan 8.370 nan 0.000 0.429 69 V N 2.430 122.249 119.914 -0.158 0.000 2.513 69 V HA 0.588 4.707 4.120 -0.001 0.000 0.299 69 V C 0.076 176.090 176.094 -0.134 0.000 1.035 69 V CA -0.487 61.704 62.300 -0.182 0.000 0.889 69 V CB 1.446 33.112 31.823 -0.262 0.000 0.988 69 V HN 0.483 nan 8.190 nan 0.000 0.440 70 I N 3.611 124.161 120.570 -0.034 0.000 2.693 70 I HA 0.504 4.673 4.170 -0.001 0.000 0.303 70 I C -0.634 175.583 176.117 0.166 0.000 1.025 70 I CA -0.672 60.668 61.300 0.067 0.000 1.086 70 I CB 1.980 40.069 38.000 0.148 0.000 1.268 70 I HN 0.559 nan 8.210 nan 0.000 0.440 71 H N 2.739 121.864 119.070 0.093 0.000 2.616 71 H HA 0.195 4.751 4.556 -0.001 0.000 0.229 71 H C 0.031 175.391 175.328 0.053 0.000 1.418 71 H CA -0.504 55.572 56.048 0.046 0.000 1.248 71 H CB 0.426 30.206 29.762 0.030 0.000 1.822 71 H HN 0.703 nan 8.280 nan 0.000 0.522 72 T N -2.599 112.059 114.554 0.173 0.000 2.715 72 T HA 0.035 4.384 4.350 -0.001 0.000 0.320 72 T C 1.482 176.201 174.700 0.031 0.000 1.046 72 T CA 0.020 62.182 62.100 0.103 0.000 0.983 72 T CB 1.115 70.057 68.868 0.124 0.000 1.183 72 T HN 0.491 nan 8.240 nan 0.000 0.522 73 E N 0.110 120.323 120.200 0.021 0.000 2.122 73 E HA -0.033 4.317 4.350 -0.001 0.000 0.190 73 E C 1.085 177.680 176.600 -0.009 0.000 0.977 73 E CA 1.089 57.486 56.400 -0.005 0.000 0.820 73 E CB 0.012 29.713 29.700 0.003 0.000 0.770 73 E HN 0.845 nan 8.360 nan 0.000 0.462 74 N N -0.258 118.443 118.700 0.001 0.000 2.160 74 N HA 0.047 4.787 4.740 -0.001 0.000 0.226 74 N C -0.976 174.513 175.510 -0.035 0.000 1.256 74 N CA -0.306 52.737 53.050 -0.012 0.000 0.890 74 N CB 0.537 39.022 38.487 -0.004 0.000 1.116 74 N HN -0.115 nan 8.380 nan 0.000 0.517 75 K N 0.372 120.744 120.400 -0.047 0.000 2.435 75 K HA 0.594 4.914 4.320 -0.001 0.000 0.251 75 K C -1.592 174.896 176.600 -0.188 0.000 0.954 75 K CA -0.951 55.232 56.287 -0.174 0.000 0.820 75 K CB 2.534 34.886 32.500 -0.247 0.000 1.292 75 K HN 0.026 nan 8.250 nan 0.000 0.436 76 L N 1.670 122.706 121.223 -0.312 0.000 2.376 76 L HA 0.474 4.814 4.340 -0.001 0.000 0.275 76 L C -1.909 174.785 176.870 -0.294 0.000 0.987 76 L CA -0.400 54.342 54.840 -0.163 0.000 0.828 76 L CB 1.104 43.144 42.059 -0.032 0.000 1.249 76 L HN 0.577 nan 8.230 nan 0.000 0.409 77 Y N 4.976 125.277 120.300 0.001 0.000 2.429 77 Y HA 0.688 5.238 4.550 -0.001 0.000 0.342 77 Y C -0.527 175.312 175.900 -0.101 0.000 1.004 77 Y CA -0.940 57.138 58.100 -0.038 0.000 1.075 77 Y CB 1.889 40.304 38.460 -0.075 0.000 1.214 77 Y HN 0.338 nan 8.280 nan 0.000 0.455 78 L N 3.863 125.122 121.223 0.060 0.000 2.343 78 L HA 0.565 4.905 4.340 -0.001 0.000 0.278 78 L C -1.206 175.522 176.870 -0.237 0.000 0.996 78 L CA -0.942 53.811 54.840 -0.145 0.000 0.831 78 L CB 1.685 43.709 42.059 -0.059 0.000 1.232 78 L HN 0.383 nan 8.230 nan 0.000 0.413 79 V N 4.136 123.824 119.914 -0.376 0.000 2.350 79 V HA 0.434 4.553 4.120 -0.001 0.000 0.285 79 V C -0.361 175.596 176.094 -0.229 0.000 1.014 79 V CA -0.280 61.873 62.300 -0.245 0.000 0.831 79 V CB 1.366 33.048 31.823 -0.235 0.000 1.000 79 V HN 0.393 nan 8.190 nan 0.000 0.433 80 F N 2.443 122.410 119.950 0.028 0.000 2.483 80 F HA 0.462 4.989 4.527 -0.001 0.000 0.329 80 F C 0.909 176.757 175.800 0.080 0.000 1.064 80 F CA -0.928 57.099 58.000 0.045 0.000 0.986 80 F CB 1.110 40.139 39.000 0.049 0.000 1.218 80 F HN 0.615 nan 8.300 nan 0.000 0.484 81 E N 1.439 121.801 120.200 0.270 0.000 2.436 81 E HA -0.000 4.350 4.350 -0.001 0.000 0.262 81 E C -1.298 175.454 176.600 0.254 0.000 1.063 81 E CA -0.227 56.305 56.400 0.220 0.000 0.944 81 E CB 0.655 30.440 29.700 0.142 0.000 0.950 81 E HN 0.503 nan 8.360 nan 0.000 0.444 82 F N 2.768 122.776 119.950 0.096 0.000 2.432 82 F HA 0.567 5.094 4.527 -0.000 0.000 0.329 82 F C -1.314 174.522 175.800 0.060 0.000 1.076 82 F CA -0.943 57.106 58.000 0.082 0.000 1.018 82 F CB 1.057 40.110 39.000 0.088 0.000 1.201 82 F HN 0.437 nan 8.300 nan 0.000 0.489 83 L N 4.410 125.103 121.223 -0.883 0.000 2.482 83 L HA 0.226 4.566 4.340 -0.001 0.000 0.263 83 L C 0.355 176.738 176.870 -0.811 0.000 0.957 83 L CA -0.509 54.014 54.840 -0.528 0.000 0.836 83 L CB 1.733 43.616 42.059 -0.295 0.000 1.324 83 L HN 0.782 nan 8.230 nan 0.000 0.406 84 H N 1.646 120.437 119.070 -0.465 0.000 2.422 84 H HA -0.027 4.529 4.556 -0.001 0.000 0.298 84 H C 0.215 175.379 175.328 -0.273 0.000 1.098 84 H CA 2.075 57.952 56.048 -0.285 0.000 1.315 84 H CB 0.434 30.164 29.762 -0.054 0.000 1.382 84 H HN 0.639 nan 8.280 nan 0.000 0.523 85 Q N -0.435 119.186 119.800 -0.298 0.000 3.011 85 Q HA 0.143 4.483 4.340 -0.001 0.000 0.299 85 Q C -1.978 173.929 176.000 -0.155 0.000 0.891 85 Q CA -0.475 55.178 55.803 -0.249 0.000 0.792 85 Q CB 0.807 29.403 28.738 -0.237 0.000 1.601 85 Q HN 0.244 nan 8.270 nan 0.000 0.462 86 D N 0.652 120.993 120.400 -0.100 0.000 2.442 86 D HA 0.249 4.889 4.640 -0.001 0.000 0.254 86 D C 0.049 176.357 176.300 0.013 0.000 1.069 86 D CA -0.807 53.149 54.000 -0.073 0.000 1.017 86 D CB 0.859 41.613 40.800 -0.077 0.000 1.172 86 D HN 0.591 nan 8.370 nan 0.000 0.561 87 L N -0.400 120.834 121.223 0.017 0.000 2.375 87 L HA 0.042 4.382 4.340 -0.001 0.000 0.215 87 L C 1.794 178.742 176.870 0.130 0.000 1.108 87 L CA 0.528 55.436 54.840 0.114 0.000 0.830 87 L CB -0.233 41.857 42.059 0.052 0.000 0.959 87 L HN 0.376 nan 8.230 nan 0.000 0.457 88 K N 1.309 121.748 120.400 0.066 0.000 2.026 88 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 88 K C 1.932 178.574 176.600 0.070 0.000 1.048 88 K CA 1.754 58.082 56.287 0.068 0.000 0.929 88 K CB -0.127 32.401 32.500 0.047 0.000 0.713 88 K HN 0.138 nan 8.250 nan 0.000 0.439 89 K N -1.201 119.241 120.400 0.070 0.000 2.243 89 K HA -0.005 4.315 4.320 -0.001 0.000 0.201 89 K C 1.838 178.507 176.600 0.114 0.000 1.051 89 K CA 0.563 56.886 56.287 0.059 0.000 0.970 89 K CB -0.145 32.372 32.500 0.028 0.000 0.755 89 K HN 0.119 nan 8.250 nan 0.000 0.465 90 F N 0.559 120.518 119.950 0.014 0.000 2.558 90 F HA 0.027 4.554 4.527 -0.001 0.000 0.298 90 F C 1.679 177.510 175.800 0.053 0.000 1.119 90 F CA 0.735 58.759 58.000 0.041 0.000 1.451 90 F CB 0.129 39.173 39.000 0.073 0.000 1.091 90 F HN -0.061 nan 8.300 nan 0.000 0.563 91 M N 0.007 119.568 119.600 -0.065 0.000 2.160 91 M HA -0.140 4.340 4.480 -0.001 0.000 0.264 91 M C 1.762 177.973 176.300 -0.148 0.000 1.073 91 M CA 1.700 56.914 55.300 -0.144 0.000 1.142 91 M CB -0.300 32.297 32.600 -0.005 0.000 1.358 91 M HN -0.090 nan 8.290 nan 0.000 0.422 92 D N 0.090 120.451 120.400 -0.064 0.000 2.149 92 D HA -0.036 4.604 4.640 -0.001 0.000 0.201 92 D C 1.879 178.140 176.300 -0.066 0.000 0.972 92 D CA 1.411 55.386 54.000 -0.041 0.000 0.835 92 D CB -0.340 40.458 40.800 -0.003 0.000 0.966 92 D HN 0.371 nan 8.370 nan 0.000 0.476 93 A N 0.034 122.809 122.820 -0.076 0.000 2.139 93 A HA -0.129 4.191 4.320 -0.001 0.000 0.221 93 A C 2.160 179.649 177.584 -0.159 0.000 1.159 93 A CA 1.610 53.597 52.037 -0.083 0.000 0.662 93 A CB -0.083 18.903 19.000 -0.024 0.000 0.796 93 A HN 0.141 nan 8.150 nan 0.000 0.463 94 S N -2.344 113.212 115.700 -0.240 0.000 2.728 94 S HA 0.519 4.989 4.470 -0.001 0.000 0.257 94 S C 0.868 175.362 174.600 -0.176 0.000 1.060 94 S CA 0.095 58.115 58.200 -0.299 0.000 1.126 94 S CB 0.124 62.933 63.200 -0.653 0.000 1.099 94 S HN 0.818 nan 8.310 nan 0.000 0.617 95 A N 1.345 124.089 122.820 -0.127 0.000 2.504 95 A HA 0.390 4.710 4.320 -0.001 0.000 0.242 95 A C 1.391 178.935 177.584 -0.065 0.000 1.100 95 A CA 0.753 52.741 52.037 -0.082 0.000 0.786 95 A CB -0.405 18.561 19.000 -0.056 0.000 1.050 95 A HN 1.321 nan 8.150 nan 0.000 0.512 96 L N -2.203 118.988 121.223 -0.053 0.000 4.596 96 L HA -0.279 4.061 4.340 -0.001 0.000 0.380 96 L C 1.223 178.069 176.870 -0.040 0.000 0.745 96 L CA 3.802 58.617 54.840 -0.041 0.000 2.543 96 L CB -2.266 39.774 42.059 -0.032 0.000 0.940 96 L HN 1.298 nan 8.230 nan 0.000 0.663 97 T N -1.127 113.399 114.554 -0.047 0.000 3.056 97 T HA 0.562 4.911 4.350 -0.001 0.000 0.241 97 T C 1.277 175.948 174.700 -0.048 0.000 1.006 97 T CA 1.574 63.650 62.100 -0.039 0.000 1.115 97 T CB -0.191 68.660 68.868 -0.029 0.000 0.939 97 T HN 2.399 nan 8.240 nan 0.000 0.462 98 G N 0.952 109.708 108.800 -0.072 0.000 2.788 98 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.686 98 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.686 98 G C -0.744 174.118 174.900 -0.065 0.000 1.147 98 G CA -0.495 44.562 45.100 -0.071 0.000 0.755 98 G HN 0.608 nan 8.290 nan 0.000 0.634 99 I N 4.234 124.766 120.570 -0.063 0.000 2.471 99 I HA 0.249 4.419 4.170 -0.001 0.000 0.286 99 I C -1.198 174.929 176.117 0.017 0.000 1.079 99 I CA -1.673 59.618 61.300 -0.015 0.000 1.398 99 I CB 1.266 39.292 38.000 0.043 0.000 1.403 99 I HN 0.344 nan 8.210 nan 0.000 0.530 100 P HA 0.030 nan 4.420 nan 0.000 0.271 100 P C 0.924 178.232 177.300 0.013 0.000 1.216 100 P CA -0.335 62.773 63.100 0.014 0.000 0.776 100 P CB 0.798 32.507 31.700 0.015 0.000 0.881 101 L N 3.791 125.026 121.223 0.020 0.000 1.997 101 L HA -0.206 4.134 4.340 -0.001 0.000 0.227 101 L C -0.393 176.493 176.870 0.026 0.000 1.087 101 L CA 2.950 57.816 54.840 0.044 0.000 0.797 101 L CB -3.258 38.828 42.059 0.044 0.000 0.902 101 L HN 0.340 nan 8.230 nan 0.000 0.441 102 P HA -0.198 nan 4.420 nan 0.000 0.217 102 P C 2.021 179.289 177.300 -0.053 0.000 1.148 102 P CA 1.369 64.443 63.100 -0.044 0.000 0.834 102 P CB -0.070 31.603 31.700 -0.045 0.000 0.783 103 L N -1.209 119.961 121.223 -0.087 0.000 2.131 103 L HA 0.004 4.344 4.340 -0.001 0.000 0.206 103 L C 2.318 179.025 176.870 -0.272 0.000 1.087 103 L CA 1.349 56.043 54.840 -0.243 0.000 0.767 103 L CB -1.075 40.820 42.059 -0.275 0.000 0.917 103 L HN -0.162 nan 8.230 nan 0.000 0.441 104 I N 0.042 120.582 120.570 -0.051 0.000 2.208 104 I HA -0.340 3.829 4.170 -0.001 0.000 0.245 104 I C 2.419 178.649 176.117 0.189 0.000 1.097 104 I CA 1.935 63.305 61.300 0.116 0.000 1.363 104 I CB -0.324 37.807 38.000 0.218 0.000 1.051 104 I HN 0.348 nan 8.210 nan 0.000 0.413 105 K N 0.187 120.692 120.400 0.176 0.000 2.305 105 K HA -0.062 4.258 4.320 -0.001 0.000 0.199 105 K C 2.100 178.875 176.600 0.292 0.000 1.047 105 K CA 1.231 57.670 56.287 0.253 0.000 0.976 105 K CB -0.068 32.468 32.500 0.060 0.000 0.765 105 K HN 0.027 nan 8.250 nan 0.000 0.474 106 S N -0.275 115.521 115.700 0.159 0.000 2.370 106 S HA -0.165 4.305 4.470 -0.001 0.000 0.226 106 S C 1.627 176.469 174.600 0.404 0.000 1.033 106 S CA 0.954 59.292 58.200 0.229 0.000 1.011 106 S CB -0.366 62.908 63.200 0.123 0.000 0.852 106 S HN 0.497 nan 8.310 nan 0.000 0.457 107 Y N 1.012 121.409 120.300 0.162 0.000 2.243 107 Y HA 0.129 4.679 4.550 -0.001 0.000 0.293 107 Y C 2.196 178.157 175.900 0.103 0.000 1.124 107 Y CA 0.551 58.717 58.100 0.110 0.000 1.159 107 Y CB -1.105 37.417 38.460 0.103 0.000 1.008 107 Y HN 0.336 nan 8.280 nan 0.000 0.527 108 L N -0.941 120.473 121.223 0.319 0.000 2.141 108 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 108 L C 2.109 179.112 176.870 0.222 0.000 1.094 108 L CA 1.356 56.310 54.840 0.190 0.000 0.763 108 L CB -1.000 41.029 42.059 -0.050 0.000 0.908 108 L HN 0.056 nan 8.230 nan 0.000 0.437 109 F N 0.705 120.694 119.950 0.066 0.000 1.997 109 F HA -0.244 4.282 4.527 -0.001 0.000 0.296 109 F C 2.412 178.058 175.800 -0.255 0.000 1.160 109 F CA 2.007 59.724 58.000 -0.473 0.000 1.176 109 F CB -1.014 37.808 39.000 -0.297 0.000 0.964 109 F HN 0.237 nan 8.300 nan 0.000 0.484 110 Q N 0.086 119.834 119.800 -0.086 0.000 1.964 110 Q HA -0.356 3.984 4.340 -0.001 0.000 0.239 110 Q C 2.089 178.000 176.000 -0.148 0.000 1.066 110 Q CA 3.184 58.915 55.803 -0.120 0.000 0.907 110 Q CB -1.189 27.562 28.738 0.021 0.000 1.030 110 Q HN 0.494 nan 8.270 nan 0.000 0.435 111 L N 0.027 121.194 121.223 -0.094 0.000 2.113 111 L HA -0.309 4.030 4.340 -0.001 0.000 0.221 111 L C 2.450 179.233 176.870 -0.145 0.000 1.084 111 L CA 1.537 56.310 54.840 -0.112 0.000 0.787 111 L CB -0.696 41.309 42.059 -0.091 0.000 0.893 111 L HN 0.304 nan 8.230 nan 0.000 0.440 112 L N -1.476 119.641 121.223 -0.177 0.000 2.093 112 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 112 L C 2.788 179.524 176.870 -0.222 0.000 1.085 112 L CA 1.142 55.872 54.840 -0.183 0.000 0.755 112 L CB -0.407 41.546 42.059 -0.177 0.000 0.904 112 L HN 0.359 nan 8.230 nan 0.000 0.435 113 Q N -0.524 119.090 119.800 -0.309 0.000 2.079 113 Q HA -0.151 4.188 4.340 -0.001 0.000 0.200 113 Q C 2.236 178.163 176.000 -0.122 0.000 0.974 113 Q CA 1.519 57.185 55.803 -0.228 0.000 0.840 113 Q CB -0.291 28.281 28.738 -0.277 0.000 0.898 113 Q HN 0.615 nan 8.270 nan 0.000 0.430 114 G N 0.918 109.612 108.800 -0.176 0.000 2.414 114 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.215 114 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.215 114 G C 1.415 176.205 174.900 -0.183 0.000 1.188 114 G CA 0.294 45.207 45.100 -0.311 0.000 0.783 114 G HN 0.200 nan 8.290 nan 0.000 0.537 115 L N 0.682 121.802 121.223 -0.172 0.000 2.013 115 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 115 L C 3.375 180.073 176.870 -0.286 0.000 1.073 115 L CA 1.464 56.147 54.840 -0.262 0.000 0.753 115 L CB -0.253 41.624 42.059 -0.303 0.000 0.890 115 L HN 0.324 nan 8.230 nan 0.000 0.432 116 A N -1.093 121.633 122.820 -0.157 0.000 1.972 116 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 116 A C 2.076 179.686 177.584 0.043 0.000 1.169 116 A CA 1.405 53.417 52.037 -0.042 0.000 0.635 116 A CB -0.844 18.152 19.000 -0.007 0.000 0.810 116 A HN 0.416 nan 8.150 nan 0.000 0.446 117 F N 0.052 119.952 119.950 -0.084 0.000 2.095 117 F HA -0.267 4.260 4.527 -0.001 0.000 0.298 117 F C 2.641 178.475 175.800 0.057 0.000 1.104 117 F CA 1.784 59.765 58.000 -0.032 0.000 1.232 117 F CB -0.487 38.322 39.000 -0.318 0.000 0.987 117 F HN 0.311 nan 8.300 nan 0.000 0.475 118 C N -0.875 118.527 119.300 0.171 0.000 2.413 118 C HA -0.206 4.254 4.460 -0.001 0.000 0.276 118 C C 2.710 177.918 174.990 0.363 0.000 1.248 118 C CA 1.383 60.554 59.018 0.256 0.000 1.742 118 C CB -1.512 26.406 27.740 0.297 0.000 2.017 118 C HN 0.505 nan 8.230 nan 0.000 0.481 119 H N 0.198 119.390 119.070 0.203 0.000 2.260 119 H HA -0.131 4.425 4.556 -0.001 0.000 0.304 119 H C 2.566 177.990 175.328 0.161 0.000 1.059 119 H CA 1.481 57.695 56.048 0.277 0.000 1.305 119 H CB -0.332 29.567 29.762 0.228 0.000 1.388 119 H HN 0.533 nan 8.280 nan 0.000 0.496 120 S N 1.047 116.876 115.700 0.216 0.000 2.448 120 S HA -0.297 4.172 4.470 -0.001 0.000 0.250 120 S C 1.048 175.563 174.600 -0.140 0.000 1.088 120 S CA 2.048 60.240 58.200 -0.013 0.000 1.058 120 S CB -0.743 62.402 63.200 -0.092 0.000 0.873 120 S HN 0.510 nan 8.310 nan 0.000 0.473 121 H N 1.769 120.756 119.070 -0.139 0.000 2.550 121 H HA 0.439 4.994 4.556 -0.001 0.000 0.304 121 H C 0.909 176.125 175.328 -0.187 0.000 1.086 121 H CA 0.290 56.244 56.048 -0.157 0.000 1.089 121 H CB -0.175 29.516 29.762 -0.119 0.000 1.528 121 H HN 0.693 nan 8.280 nan 0.000 0.539 122 R N -1.600 118.737 120.500 -0.271 0.000 3.641 122 R HA -0.146 4.193 4.340 -0.001 0.000 0.286 122 R C -1.687 174.256 176.300 -0.595 0.000 1.153 122 R CA 0.677 56.220 56.100 -0.927 0.000 0.775 122 R CB -2.870 27.055 30.300 -0.624 0.000 1.215 122 R HN 0.138 nan 8.270 nan 0.000 0.474 123 V N 1.780 121.746 119.914 0.086 0.000 2.483 123 V HA 0.480 4.600 4.120 -0.001 0.000 0.297 123 V C 0.313 176.791 176.094 0.640 0.000 1.027 123 V CA -0.762 61.761 62.300 0.371 0.000 0.855 123 V CB 1.761 33.753 31.823 0.282 0.000 0.995 123 V HN 0.256 nan 8.190 nan 0.000 0.424 124 L N 3.677 125.216 121.223 0.527 0.000 2.344 124 L HA 0.538 4.877 4.340 -0.001 0.000 0.272 124 L C 1.095 178.069 176.870 0.172 0.000 1.035 124 L CA -0.659 54.358 54.840 0.295 0.000 0.807 124 L CB 1.627 43.703 42.059 0.028 0.000 1.237 124 L HN 0.740 nan 8.230 nan 0.000 0.442 125 H N 2.430 121.555 119.070 0.092 0.000 2.439 125 H HA 0.145 4.700 4.556 -0.001 0.000 0.299 125 H C 1.043 176.282 175.328 -0.149 0.000 1.033 125 H CA 0.827 56.822 56.048 -0.088 0.000 1.348 125 H CB 0.709 30.373 29.762 -0.163 0.000 1.449 125 H HN 0.619 nan 8.280 nan 0.000 0.544 126 R N -0.668 119.882 120.500 0.083 0.000 4.002 126 R HA -0.207 4.133 4.340 -0.001 0.000 0.443 126 R C -0.352 175.989 176.300 0.069 0.000 0.770 126 R CA 1.757 57.831 56.100 -0.043 0.000 1.648 126 R CB -1.439 28.653 30.300 -0.348 0.000 2.287 126 R HN 0.325 nan 8.270 nan 0.000 0.454 127 D N 0.421 120.993 120.400 0.286 0.000 2.819 127 D HA 0.247 4.886 4.640 -0.001 0.000 0.326 127 D C -0.383 175.987 176.300 0.118 0.000 1.408 127 D CA -0.170 53.939 54.000 0.180 0.000 0.811 127 D CB 0.382 41.241 40.800 0.098 0.000 1.148 127 D HN 0.071 nan 8.370 nan 0.000 0.457 128 L N 2.292 123.500 121.223 -0.025 0.000 2.660 128 L HA 0.054 4.393 4.340 -0.001 0.000 0.272 128 L C 0.605 177.328 176.870 -0.245 0.000 1.194 128 L CA 0.782 55.457 54.840 -0.274 0.000 0.945 128 L CB -0.314 41.596 42.059 -0.248 0.000 1.212 128 L HN 0.163 nan 8.230 nan 0.000 0.490 129 K N 3.524 123.735 120.400 -0.315 0.000 2.568 129 K HA 0.383 4.702 4.320 -0.001 0.000 0.273 129 K C -2.928 173.498 176.600 -0.289 0.000 0.951 129 K CA -1.746 54.270 56.287 -0.451 0.000 0.854 129 K CB 1.749 34.114 32.500 -0.224 0.000 1.424 129 K HN -0.102 nan 8.250 nan 0.000 0.427 130 P HA -0.226 nan 4.420 nan 0.000 0.218 130 P C 0.846 178.096 177.300 -0.083 0.000 1.152 130 P CA 1.750 64.783 63.100 -0.112 0.000 0.857 130 P CB 0.245 31.938 31.700 -0.013 0.000 0.787 131 Q N -1.745 118.014 119.800 -0.069 0.000 2.230 131 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 131 Q C 1.408 177.357 176.000 -0.085 0.000 0.963 131 Q CA 1.027 56.796 55.803 -0.057 0.000 0.866 131 Q CB -0.755 27.957 28.738 -0.044 0.000 0.931 131 Q HN 0.232 nan 8.270 nan 0.000 0.452 132 N N -0.583 118.053 118.700 -0.106 0.000 2.322 132 N HA 0.109 4.848 4.740 -0.001 0.000 0.194 132 N C -0.838 174.588 175.510 -0.140 0.000 1.126 132 N CA 0.242 53.225 53.050 -0.111 0.000 0.845 132 N CB 0.486 38.913 38.487 -0.099 0.000 0.976 132 N HN 0.181 nan 8.380 nan 0.000 0.475 133 L N 1.610 122.746 121.223 -0.146 0.000 2.316 133 L HA 0.450 4.789 4.340 -0.001 0.000 0.280 133 L C -0.515 176.264 176.870 -0.152 0.000 1.006 133 L CA -0.524 54.220 54.840 -0.160 0.000 0.836 133 L CB 1.263 43.223 42.059 -0.166 0.000 1.221 133 L HN -0.206 nan 8.230 nan 0.000 0.418 134 L N 4.916 126.042 121.223 -0.162 0.000 2.344 134 L HA 0.683 5.023 4.340 -0.001 0.000 0.272 134 L C -0.113 176.629 176.870 -0.213 0.000 1.035 134 L CA -0.803 53.931 54.840 -0.177 0.000 0.807 134 L CB 1.823 43.773 42.059 -0.182 0.000 1.237 134 L HN 0.522 nan 8.230 nan 0.000 0.442 135 I N -1.063 119.382 120.570 -0.208 0.000 2.828 135 I HA 0.600 4.770 4.170 -0.001 0.000 0.302 135 I C -0.832 175.206 176.117 -0.131 0.000 1.101 135 I CA -0.779 60.394 61.300 -0.212 0.000 1.031 135 I CB 2.107 39.949 38.000 -0.263 0.000 1.231 135 I HN 0.670 nan 8.210 nan 0.000 0.427 136 N N 1.444 120.091 118.700 -0.087 0.000 2.717 136 N HA 0.320 5.060 4.740 -0.001 0.000 0.314 136 N C 0.762 176.256 175.510 -0.026 0.000 1.324 136 N CA 0.127 53.158 53.050 -0.031 0.000 0.902 136 N CB -0.137 38.339 38.487 -0.019 0.000 1.126 136 N HN 0.751 nan 8.380 nan 0.000 0.579 137 T N -4.272 110.263 114.554 -0.031 0.000 3.081 137 T HA 0.182 4.532 4.350 -0.001 0.000 0.250 137 T C 0.218 174.906 174.700 -0.021 0.000 1.100 137 T CA 0.299 62.368 62.100 -0.053 0.000 1.038 137 T CB -0.244 68.559 68.868 -0.108 0.000 0.962 137 T HN 0.364 nan 8.240 nan 0.000 0.516 138 E N 1.373 121.570 120.200 -0.004 0.000 2.489 138 E HA 0.369 4.719 4.350 -0.001 0.000 0.193 138 E C 1.540 178.157 176.600 0.030 0.000 1.057 138 E CA 0.462 56.868 56.400 0.010 0.000 0.866 138 E CB -0.429 29.277 29.700 0.010 0.000 0.916 138 E HN 0.640 nan 8.360 nan 0.000 0.500 139 G N -0.059 108.768 108.800 0.044 0.000 2.130 139 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 139 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 139 G C 0.424 175.429 174.900 0.174 0.000 0.999 139 G CA -0.029 45.146 45.100 0.124 0.000 0.686 139 G HN 0.534 nan 8.290 nan 0.000 0.515 140 A N -0.714 122.142 122.820 0.059 0.000 2.313 140 A HA 0.850 5.170 4.320 -0.001 0.000 0.261 140 A C 0.121 177.614 177.584 -0.151 0.000 1.090 140 A CA 0.528 52.562 52.037 -0.004 0.000 0.807 140 A CB 0.933 19.917 19.000 -0.027 0.000 1.055 140 A HN 1.681 nan 8.150 nan 0.000 0.492 141 I N -0.548 119.887 120.570 -0.224 0.000 2.722 141 I HA 0.592 4.761 4.170 -0.001 0.000 0.295 141 I C -1.117 174.881 176.117 -0.198 0.000 1.161 141 I CA -0.349 60.729 61.300 -0.370 0.000 1.032 141 I CB 1.908 39.479 38.000 -0.716 0.000 1.244 141 I HN 0.688 nan 8.210 nan 0.000 0.421 142 K N 7.325 127.624 120.400 -0.170 0.000 2.525 142 K HA 0.489 4.809 4.320 -0.001 0.000 0.254 142 K C -1.574 174.983 176.600 -0.071 0.000 0.934 142 K CA -0.817 55.420 56.287 -0.084 0.000 0.802 142 K CB 2.267 34.736 32.500 -0.052 0.000 1.295 142 K HN 0.481 nan 8.250 nan 0.000 0.433 143 L N 2.461 123.676 121.223 -0.013 0.000 2.410 143 L HA 0.412 4.752 4.340 -0.001 0.000 0.273 143 L C 0.187 177.160 176.870 0.171 0.000 1.152 143 L CA 0.055 54.901 54.840 0.011 0.000 0.855 143 L CB 0.781 42.906 42.059 0.110 0.000 1.129 143 L HN 0.835 nan 8.230 nan 0.000 0.463 144 A N 2.694 125.561 122.820 0.077 0.000 2.530 144 A HA 0.598 4.918 4.320 -0.001 0.000 0.288 144 A C -0.657 177.001 177.584 0.124 0.000 1.172 144 A CA -0.374 51.770 52.037 0.177 0.000 0.733 144 A CB 1.478 20.469 19.000 -0.015 0.000 1.320 144 A HN 0.740 nan 8.150 nan 0.000 0.419 145 D N -1.522 118.989 120.400 0.186 0.000 3.916 145 D HA -0.140 4.500 4.640 -0.001 0.000 0.250 145 D C -1.010 175.321 176.300 0.052 0.000 1.058 145 D CA 0.499 54.556 54.000 0.096 0.000 1.130 145 D CB -1.400 39.399 40.800 -0.001 0.000 0.913 145 D HN 0.411 nan 8.370 nan 0.000 0.418 146 F N 0.657 120.611 119.950 0.007 0.000 2.645 146 F HA 0.380 4.907 4.527 -0.001 0.000 0.300 146 F C 2.312 178.061 175.800 -0.086 0.000 1.115 146 F CA 0.316 58.259 58.000 -0.094 0.000 1.355 146 F CB 0.495 39.481 39.000 -0.025 0.000 1.026 146 F HN 0.383 nan 8.300 nan 0.000 0.536 147 G N -0.211 108.622 108.800 0.054 0.000 2.501 147 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.220 147 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.220 147 G C 1.439 176.338 174.900 -0.002 0.000 1.114 147 G CA 0.555 45.684 45.100 0.048 0.000 0.757 147 G HN 0.391 nan 8.290 nan 0.000 0.559 148 L N 0.225 121.394 121.223 -0.090 0.000 2.808 148 L HA 0.385 4.724 4.340 -0.001 0.000 0.246 148 L C 1.414 178.187 176.870 -0.162 0.000 1.153 148 L CA -0.388 54.391 54.840 -0.103 0.000 0.956 148 L CB 0.203 42.181 42.059 -0.137 0.000 1.270 148 L HN 0.214 nan 8.230 nan 0.000 0.528 149 A N 1.076 123.804 122.820 -0.153 0.000 2.407 149 A HA 0.518 4.838 4.320 -0.001 0.000 0.248 149 A C 0.016 177.614 177.584 0.023 0.000 1.082 149 A CA 0.108 52.093 52.037 -0.087 0.000 0.785 149 A CB 0.355 19.422 19.000 0.111 0.000 1.020 149 A HN 0.232 nan 8.150 nan 0.000 0.489 150 R N 0.303 120.839 120.500 0.060 0.000 2.651 150 R HA 0.565 4.904 4.340 -0.001 0.000 0.278 150 R C -0.592 175.822 176.300 0.190 0.000 1.010 150 R CA -0.412 55.748 56.100 0.100 0.000 0.896 150 R CB 2.080 32.419 30.300 0.065 0.000 1.211 150 R HN 0.892 nan 8.270 nan 0.000 0.456 151 A N 2.402 125.319 122.820 0.161 0.000 2.388 151 A HA 0.420 4.740 4.320 -0.001 0.000 0.257 151 A C 0.138 177.873 177.584 0.251 0.000 1.095 151 A CA -0.268 51.859 52.037 0.150 0.000 0.791 151 A CB -0.198 18.832 19.000 0.051 0.000 1.029 151 A HN 0.633 nan 8.150 nan 0.000 0.489 152 F N 1.145 121.108 119.950 0.022 0.000 2.850 152 F HA 0.440 4.967 4.527 -0.001 0.000 0.306 152 F C 1.287 177.080 175.800 -0.011 0.000 1.162 152 F CA -0.939 57.063 58.000 0.003 0.000 1.327 152 F CB -0.829 38.164 39.000 -0.012 0.000 0.953 152 F HN 0.531 nan 8.300 nan 0.000 0.507 153 G N 0.774 109.510 108.800 -0.105 0.000 2.661 153 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.224 153 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.224 153 G C 0.464 175.362 174.900 -0.003 0.000 1.114 153 G CA 1.454 46.503 45.100 -0.084 0.000 0.751 153 G HN 0.368 nan 8.290 nan 0.000 0.609 154 V N 1.227 121.172 119.914 0.051 0.000 2.876 154 V HA 0.453 4.573 4.120 -0.001 0.000 0.312 154 V C -2.130 174.008 176.094 0.072 0.000 1.085 154 V CA -1.846 60.481 62.300 0.044 0.000 0.945 154 V CB 2.622 34.468 31.823 0.038 0.000 1.017 154 V HN 0.019 nan 8.190 nan 0.000 0.428 155 P HA 0.083 nan 4.420 nan 0.000 0.265 155 P C -0.659 176.653 177.300 0.021 0.000 1.193 155 P CA 0.232 63.237 63.100 -0.158 0.000 0.765 155 P CB 0.605 31.899 31.700 -0.676 0.000 0.823 156 V N 5.672 125.674 119.914 0.147 0.000 2.334 156 V HA 0.154 4.274 4.120 -0.001 0.000 0.267 156 V C 1.098 177.490 176.094 0.496 0.000 1.040 156 V CA -0.352 62.119 62.300 0.285 0.000 0.866 156 V CB 0.113 32.071 31.823 0.225 0.000 1.019 156 V HN 0.515 nan 8.190 nan 0.000 0.468 157 R N 2.655 123.446 120.500 0.484 0.000 2.863 157 R HA 0.272 4.611 4.340 -0.001 0.000 0.273 157 R C 0.347 176.919 176.300 0.453 0.000 1.057 157 R CA -0.118 56.227 56.100 0.409 0.000 1.191 157 R CB 0.141 30.556 30.300 0.190 0.000 1.104 157 R HN 0.548 nan 8.270 nan 0.000 0.519 158 T N 1.433 116.126 114.554 0.233 0.000 2.767 158 T HA 0.221 4.571 4.350 -0.001 0.000 0.288 158 T C -0.759 174.093 174.700 0.254 0.000 0.963 158 T CA -0.342 61.884 62.100 0.210 0.000 1.019 158 T CB 0.136 68.938 68.868 -0.111 0.000 0.923 158 T HN 0.152 nan 8.240 nan 0.000 0.468 159 Y N 2.527 122.865 120.300 0.064 0.000 2.610 159 Y HA 0.052 4.601 4.550 -0.001 0.000 0.332 159 Y C 2.140 177.898 175.900 -0.235 0.000 1.201 159 Y CA -0.477 57.610 58.100 -0.021 0.000 1.465 159 Y CB 0.175 38.663 38.460 0.047 0.000 1.283 159 Y HN 0.674 nan 8.280 nan 0.000 0.563 160 T N 2.827 117.362 114.554 -0.031 0.000 3.890 160 T HA -0.152 4.197 4.350 -0.001 0.000 0.263 160 T C -0.069 174.748 174.700 0.194 0.000 1.166 160 T CA 0.548 62.693 62.100 0.074 0.000 0.978 160 T CB -1.605 67.332 68.868 0.115 0.000 1.040 160 T HN 0.783 nan 8.240 nan 0.000 0.595 161 H N -0.900 118.262 119.070 0.154 0.000 2.847 161 H HA -0.124 4.431 4.556 -0.001 0.000 0.336 161 H C 0.273 175.687 175.328 0.143 0.000 1.221 161 H CA 0.639 56.766 56.048 0.132 0.000 1.162 161 H CB -2.160 27.645 29.762 0.071 0.000 1.566 161 H HN 0.906 nan 8.280 nan 0.000 0.430 162 E N 0.049 120.409 120.200 0.266 0.000 2.470 162 E HA 0.297 4.646 4.350 -0.001 0.000 0.258 162 E C -0.145 176.577 176.600 0.203 0.000 1.295 162 E CA -0.417 56.148 56.400 0.276 0.000 1.032 162 E CB 0.628 30.660 29.700 0.554 0.000 0.980 162 E HN 0.155 nan 8.360 nan 0.000 0.500 163 V N 2.798 122.813 119.914 0.168 0.000 2.259 163 V HA 0.245 4.365 4.120 -0.001 0.000 0.267 163 V C 0.179 176.327 176.094 0.089 0.000 1.051 163 V CA -0.046 62.318 62.300 0.107 0.000 0.830 163 V CB 0.138 32.007 31.823 0.077 0.000 1.080 163 V HN 0.645 nan 8.190 nan 0.000 0.467 164 V N 3.382 123.337 119.914 0.070 0.000 4.635 164 V HA 0.750 4.870 4.120 -0.001 0.000 0.272 164 V C 0.492 176.599 176.094 0.021 0.000 1.265 164 V CA 0.276 62.602 62.300 0.043 0.000 0.747 164 V CB 1.174 33.019 31.823 0.037 0.000 1.246 164 V HN 0.691 nan 8.190 nan 0.000 0.404 165 T N -2.677 111.892 114.554 0.026 0.000 2.907 165 T HA 0.611 4.960 4.350 -0.001 0.000 0.290 165 T C 0.209 174.954 174.700 0.076 0.000 1.066 165 T CA -0.579 61.511 62.100 -0.016 0.000 1.012 165 T CB 1.806 70.552 68.868 -0.202 0.000 1.184 165 T HN 0.514 nan 8.240 nan 0.000 0.522 166 L N -0.764 120.507 121.223 0.080 0.000 2.433 166 L HA 0.230 4.569 4.340 -0.001 0.000 0.200 166 L C 2.167 179.174 176.870 0.228 0.000 1.059 166 L CA -0.078 54.851 54.840 0.149 0.000 0.835 166 L CB -0.420 41.742 42.059 0.172 0.000 1.076 166 L HN 0.676 nan 8.230 nan 0.000 0.481 167 W N 1.083 122.283 121.300 -0.167 0.000 2.207 167 W HA -0.297 4.362 4.660 -0.001 0.000 0.335 167 W C 1.760 177.944 176.519 -0.559 0.000 1.370 167 W CA 1.352 58.431 57.345 -0.442 0.000 1.396 167 W CB -1.368 27.620 29.460 -0.786 0.000 1.095 167 W HN 0.231 nan 8.180 nan 0.000 0.490 168 Y N -0.895 119.681 120.300 0.460 0.000 2.683 168 Y HA 0.306 4.855 4.550 -0.001 0.000 0.297 168 Y C 1.084 177.179 175.900 0.325 0.000 1.147 168 Y CA -0.609 57.737 58.100 0.409 0.000 1.274 168 Y CB -0.684 37.964 38.460 0.312 0.000 1.143 168 Y HN -0.233 nan 8.280 nan 0.000 0.527 169 R N 1.312 121.943 120.500 0.219 0.000 2.428 169 R HA 0.729 5.069 4.340 -0.001 0.000 0.294 169 R C -0.129 175.964 176.300 -0.347 0.000 1.000 169 R CA -0.605 55.512 56.100 0.027 0.000 0.960 169 R CB 0.758 31.071 30.300 0.022 0.000 1.076 169 R HN 0.233 nan 8.270 nan 0.000 0.475 170 A N 5.670 128.250 122.820 -0.399 0.000 2.425 170 A HA 0.267 4.587 4.320 -0.001 0.000 0.249 170 A C -1.780 175.449 177.584 -0.593 0.000 1.084 170 A CA -1.450 50.112 52.037 -0.791 0.000 0.781 170 A CB 0.273 19.052 19.000 -0.369 0.000 1.019 170 A HN 0.734 nan 8.150 nan 0.000 0.490 171 P HA -0.214 nan 4.420 nan 0.000 0.215 171 P C 1.275 178.633 177.300 0.096 0.000 1.153 171 P CA 1.632 64.610 63.100 -0.203 0.000 0.853 171 P CB 0.035 31.747 31.700 0.019 0.000 0.788 172 E N 0.050 120.319 120.200 0.115 0.000 2.204 172 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 172 E C 1.737 178.380 176.600 0.070 0.000 0.990 172 E CA 1.157 57.742 56.400 0.308 0.000 0.821 172 E CB -1.019 28.863 29.700 0.303 0.000 0.750 172 E HN 0.158 nan 8.360 nan 0.000 0.477 173 I N 1.966 122.490 120.570 -0.076 0.000 2.133 173 I HA -0.205 3.964 4.170 -0.001 0.000 0.238 173 I C 2.745 178.837 176.117 -0.042 0.000 1.074 173 I CA 0.846 62.064 61.300 -0.137 0.000 1.342 173 I CB -0.877 37.002 38.000 -0.202 0.000 1.053 173 I HN 0.062 nan 8.210 nan 0.000 0.404 174 L N -0.397 120.814 121.223 -0.020 0.000 2.089 174 L HA -0.251 4.088 4.340 -0.001 0.000 0.213 174 L C 2.210 179.134 176.870 0.089 0.000 1.079 174 L CA 1.393 56.250 54.840 0.028 0.000 0.758 174 L CB -0.485 41.574 42.059 -0.001 0.000 0.891 174 L HN 0.277 nan 8.230 nan 0.000 0.433 175 L N -1.006 120.292 121.223 0.125 0.000 2.558 175 L HA 0.148 4.487 4.340 -0.001 0.000 0.225 175 L C 1.114 178.037 176.870 0.089 0.000 1.128 175 L CA 0.480 55.413 54.840 0.154 0.000 0.868 175 L CB -0.140 42.026 42.059 0.179 0.000 1.006 175 L HN 0.447 nan 8.230 nan 0.000 0.454 176 G N 0.643 109.474 108.800 0.053 0.000 2.288 176 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.205 176 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.205 176 G C 0.181 175.068 174.900 -0.022 0.000 1.071 176 G CA -0.145 44.969 45.100 0.022 0.000 0.788 176 G HN 0.390 nan 8.290 nan 0.000 0.491 177 C N -0.536 118.744 119.300 -0.034 0.000 2.480 177 C HA 0.813 5.272 4.460 -0.001 0.000 0.358 177 C C 2.049 176.964 174.990 -0.125 0.000 1.309 177 C CA 0.305 59.293 59.018 -0.050 0.000 2.465 177 C CB 1.397 29.145 27.740 0.013 0.000 2.379 177 C HN 0.909 nan 8.230 nan 0.000 0.642 178 K N -0.409 119.890 120.400 -0.169 0.000 2.400 178 K HA 0.173 4.492 4.320 -0.001 0.000 0.194 178 K C -0.599 175.743 176.600 -0.430 0.000 1.033 178 K CA 0.542 56.626 56.287 -0.339 0.000 1.021 178 K CB -0.037 32.168 32.500 -0.492 0.000 0.808 178 K HN 0.775 nan 8.250 nan 0.000 0.505 179 Y N -0.397 119.861 120.300 -0.070 0.000 2.536 179 Y HA 0.338 4.888 4.550 -0.001 0.000 0.347 179 Y C -0.345 175.440 175.900 -0.191 0.000 1.000 179 Y CA -1.604 56.463 58.100 -0.055 0.000 1.051 179 Y CB 0.875 39.337 38.460 0.003 0.000 1.259 179 Y HN -0.178 nan 8.280 nan 0.000 0.468 180 Y N 0.788 121.173 120.300 0.142 0.000 2.281 180 Y HA 0.471 5.021 4.550 -0.001 0.000 0.337 180 Y C 0.709 176.560 175.900 -0.082 0.000 1.304 180 Y CA 0.394 58.490 58.100 -0.005 0.000 1.465 180 Y CB 1.221 39.646 38.460 -0.058 0.000 1.350 180 Y HN 0.578 nan 8.280 nan 0.000 0.575 181 S N -2.291 113.404 115.700 -0.008 0.000 2.596 181 S HA 0.204 4.674 4.470 -0.001 0.000 0.270 181 S C 0.344 174.802 174.600 -0.237 0.000 1.155 181 S CA -0.250 57.852 58.200 -0.165 0.000 0.827 181 S CB 0.835 63.982 63.200 -0.088 0.000 1.130 181 S HN 0.691 nan 8.310 nan 0.000 0.467 182 T N -0.400 113.923 114.554 -0.385 0.000 2.897 182 T HA -0.011 4.338 4.350 -0.001 0.000 0.271 182 T C 2.012 176.670 174.700 -0.069 0.000 1.084 182 T CA 1.362 63.184 62.100 -0.463 0.000 1.123 182 T CB -0.966 67.539 68.868 -0.605 0.000 0.865 182 T HN 1.089 nan 8.240 nan 0.000 0.496 183 A N 2.561 125.369 122.820 -0.021 0.000 1.865 183 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 183 A C 2.759 180.438 177.584 0.158 0.000 1.191 183 A CA 2.183 54.267 52.037 0.077 0.000 0.623 183 A CB -1.443 17.577 19.000 0.033 0.000 0.826 183 A HN 0.887 nan 8.150 nan 0.000 0.444 184 V N -0.241 119.750 119.914 0.127 0.000 2.280 184 V HA -0.419 3.701 4.120 -0.001 0.000 0.258 184 V C 1.799 178.052 176.094 0.265 0.000 1.081 184 V CA 3.150 65.561 62.300 0.186 0.000 1.070 184 V CB -1.220 30.713 31.823 0.184 0.000 0.666 184 V HN 0.528 nan 8.190 nan 0.000 0.450 185 D N 0.372 120.916 120.400 0.240 0.000 2.103 185 D HA -0.139 4.500 4.640 -0.001 0.000 0.190 185 D C 2.249 178.685 176.300 0.227 0.000 0.997 185 D CA 2.059 56.208 54.000 0.249 0.000 0.833 185 D CB -0.385 40.617 40.800 0.337 0.000 0.961 185 D HN 0.484 nan 8.370 nan 0.000 0.447 186 I N 0.701 121.417 120.570 0.243 0.000 2.194 186 I HA -0.267 3.903 4.170 -0.001 0.000 0.246 186 I C 2.361 178.606 176.117 0.213 0.000 1.093 186 I CA 0.922 62.340 61.300 0.197 0.000 1.355 186 I CB -1.140 36.974 38.000 0.190 0.000 1.046 186 I HN 0.341 nan 8.210 nan 0.000 0.413 187 W N 1.916 123.279 121.300 0.105 0.000 2.333 187 W HA -0.241 4.419 4.660 -0.001 0.000 0.316 187 W C 2.615 179.234 176.519 0.166 0.000 1.215 187 W CA 2.038 59.453 57.345 0.118 0.000 1.278 187 W CB -0.548 28.969 29.460 0.095 0.000 1.154 187 W HN 0.106 nan 8.180 nan 0.000 0.486 188 S N 1.362 117.354 115.700 0.487 0.000 2.351 188 S HA -0.230 4.239 4.470 -0.001 0.000 0.220 188 S C 1.788 176.495 174.600 0.178 0.000 1.035 188 S CA 1.561 60.009 58.200 0.414 0.000 1.031 188 S CB -1.053 62.326 63.200 0.298 0.000 0.928 188 S HN 0.137 nan 8.310 nan 0.000 0.433 189 L N 1.935 123.217 121.223 0.098 0.000 2.054 189 L HA -0.220 4.120 4.340 -0.001 0.000 0.220 189 L C 2.470 179.399 176.870 0.098 0.000 1.081 189 L CA 2.128 57.002 54.840 0.057 0.000 0.780 189 L CB -1.796 40.294 42.059 0.050 0.000 0.893 189 L HN 0.409 nan 8.230 nan 0.000 0.438 190 G N -1.297 107.535 108.800 0.052 0.000 2.631 190 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.219 190 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.219 190 G C 1.657 176.545 174.900 -0.020 0.000 1.214 190 G CA 1.508 46.596 45.100 -0.020 0.000 0.785 190 G HN 0.559 nan 8.290 nan 0.000 0.596 191 C N 0.693 119.992 119.300 -0.001 0.000 2.422 191 C HA 0.095 4.554 4.460 -0.001 0.000 0.279 191 C C 2.852 177.930 174.990 0.146 0.000 1.305 191 C CA 0.407 59.483 59.018 0.098 0.000 1.757 191 C CB -1.149 26.845 27.740 0.422 0.000 1.962 191 C HN 0.462 nan 8.230 nan 0.000 0.499 192 I N 0.506 121.178 120.570 0.170 0.000 2.252 192 I HA -0.165 4.005 4.170 -0.001 0.000 0.245 192 I C 2.572 178.795 176.117 0.176 0.000 1.102 192 I CA 1.584 62.956 61.300 0.120 0.000 1.385 192 I CB -0.814 37.189 38.000 0.004 0.000 1.064 192 I HN 0.249 nan 8.210 nan 0.000 0.414 193 F N 2.777 122.715 119.950 -0.019 0.000 2.095 193 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 193 F C 2.530 178.283 175.800 -0.079 0.000 1.104 193 F CA 1.327 59.306 58.000 -0.033 0.000 1.232 193 F CB -0.820 38.142 39.000 -0.064 0.000 0.987 193 F HN 0.009 nan 8.300 nan 0.000 0.475 194 A N -0.182 122.467 122.820 -0.285 0.000 1.972 194 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 194 A C 2.274 179.702 177.584 -0.260 0.000 1.169 194 A CA 1.735 53.501 52.037 -0.453 0.000 0.635 194 A CB -0.987 17.720 19.000 -0.487 0.000 0.810 194 A HN 0.600 nan 8.150 nan 0.000 0.446 195 E N -0.581 119.556 120.200 -0.105 0.000 2.015 195 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 195 E C 2.056 178.641 176.600 -0.025 0.000 0.991 195 E CA 1.311 57.680 56.400 -0.051 0.000 0.802 195 E CB -0.244 29.494 29.700 0.064 0.000 0.759 195 E HN 0.600 nan 8.360 nan 0.000 0.447 196 M N 0.144 119.773 119.600 0.047 0.000 2.116 196 M HA -0.257 4.223 4.480 -0.001 0.000 0.255 196 M C 2.283 178.592 176.300 0.015 0.000 1.075 196 M CA 1.482 56.827 55.300 0.076 0.000 1.087 196 M CB -0.233 32.481 32.600 0.189 0.000 1.340 196 M HN 0.136 nan 8.290 nan 0.000 0.402 197 V N -0.326 119.562 119.914 -0.043 0.000 2.307 197 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 197 V C 2.324 178.342 176.094 -0.127 0.000 1.045 197 V CA 2.269 64.507 62.300 -0.102 0.000 1.024 197 V CB -0.907 30.775 31.823 -0.234 0.000 0.651 197 V HN 0.656 nan 8.190 nan 0.000 0.449 198 T N -1.957 112.499 114.554 -0.162 0.000 3.086 198 T HA 0.067 4.416 4.350 -0.001 0.000 0.250 198 T C 0.871 175.499 174.700 -0.119 0.000 1.074 198 T CA -0.126 61.880 62.100 -0.158 0.000 0.988 198 T CB -0.247 68.496 68.868 -0.209 0.000 0.988 198 T HN 0.614 nan 8.240 nan 0.000 0.530 199 R N 0.331 120.777 120.500 -0.091 0.000 3.502 199 R HA -0.225 4.114 4.340 -0.001 0.000 0.266 199 R C -0.137 176.123 176.300 -0.068 0.000 1.077 199 R CA 0.921 56.981 56.100 -0.066 0.000 0.718 199 R CB -2.652 27.608 30.300 -0.068 0.000 1.120 199 R HN 0.665 nan 8.270 nan 0.000 0.457 200 R N -0.179 120.267 120.500 -0.090 0.000 2.603 200 R HA 0.434 4.773 4.340 -0.001 0.000 0.280 200 R C -0.809 175.395 176.300 -0.161 0.000 1.185 200 R CA 0.298 56.330 56.100 -0.113 0.000 1.039 200 R CB 1.187 31.406 30.300 -0.135 0.000 1.247 200 R HN 0.327 nan 8.270 nan 0.000 0.413 201 A N 3.925 126.658 122.820 -0.145 0.000 2.592 201 A HA -0.045 4.275 4.320 -0.001 0.000 0.250 201 A C 0.818 178.182 177.584 -0.366 0.000 1.017 201 A CA 0.321 52.233 52.037 -0.207 0.000 0.794 201 A CB 0.023 18.791 19.000 -0.387 0.000 0.917 201 A HN 0.858 nan 8.150 nan 0.000 0.515 202 L N 2.460 123.448 121.223 -0.391 0.000 2.552 202 L HA 0.310 4.649 4.340 -0.001 0.000 0.227 202 L C -0.390 175.844 176.870 -1.059 0.000 1.146 202 L CA 1.355 55.749 54.840 -0.743 0.000 0.858 202 L CB -0.178 41.381 42.059 -0.833 0.000 0.969 202 L HN 0.598 nan 8.230 nan 0.000 0.451 203 F N -0.206 119.567 119.950 -0.294 0.000 3.015 203 F HA 0.311 4.838 4.527 -0.001 0.000 0.415 203 F C -2.615 172.840 175.800 -0.575 0.000 1.185 203 F CA -2.167 55.672 58.000 -0.268 0.000 1.188 203 F CB 0.205 39.164 39.000 -0.068 0.000 2.558 203 F HN -0.088 nan 8.300 nan 0.000 0.587 204 P HA 0.392 nan 4.420 nan 0.000 0.283 204 P C 0.277 177.305 177.300 -0.453 0.000 1.412 204 P CA 0.152 62.401 63.100 -1.419 0.000 0.912 204 P CB 1.316 32.338 31.700 -1.129 0.000 1.132 205 G N 1.821 110.648 108.800 0.045 0.000 2.453 205 G HA2 0.292 4.252 3.960 -0.001 0.000 0.323 205 G HA3 0.292 4.252 3.960 -0.001 0.000 0.323 205 G C -0.028 175.066 174.900 0.323 0.000 1.198 205 G CA -0.429 44.788 45.100 0.195 0.000 0.959 205 G HN 0.155 nan 8.290 nan 0.000 0.482 206 D N -0.932 119.562 120.400 0.158 0.000 2.305 206 D HA 0.149 4.788 4.640 -0.001 0.000 0.206 206 D C 1.102 177.449 176.300 0.077 0.000 0.974 206 D CA 1.228 55.300 54.000 0.120 0.000 0.871 206 D CB 0.756 41.594 40.800 0.062 0.000 0.947 206 D HN 0.464 nan 8.370 nan 0.000 0.516 207 S N -1.405 114.330 115.700 0.058 0.000 2.622 207 S HA 0.102 4.571 4.470 -0.001 0.000 0.275 207 S C 0.237 174.829 174.600 -0.013 0.000 1.112 207 S CA -0.595 57.611 58.200 0.009 0.000 0.837 207 S CB 0.866 64.052 63.200 -0.024 0.000 1.082 207 S HN -0.198 nan 8.310 nan 0.000 0.456 208 E N 0.364 120.550 120.200 -0.023 0.000 2.097 208 E HA -0.115 4.235 4.350 -0.001 0.000 0.196 208 E C 1.637 178.167 176.600 -0.117 0.000 1.000 208 E CA 1.945 58.323 56.400 -0.037 0.000 0.804 208 E CB -0.113 29.580 29.700 -0.011 0.000 0.740 208 E HN 0.551 nan 8.360 nan 0.000 0.454 209 I N 0.659 121.123 120.570 -0.175 0.000 2.400 209 I HA -0.149 4.021 4.170 -0.001 0.000 0.248 209 I C 1.676 177.478 176.117 -0.526 0.000 1.109 209 I CA 1.146 62.233 61.300 -0.354 0.000 1.425 209 I CB -0.395 37.405 38.000 -0.333 0.000 1.094 209 I HN 0.031 nan 8.210 nan 0.000 0.425 210 D N 0.238 120.457 120.400 -0.302 0.000 2.137 210 D HA -0.323 4.317 4.640 -0.001 0.000 0.189 210 D C 2.145 178.376 176.300 -0.116 0.000 0.998 210 D CA 2.004 55.900 54.000 -0.174 0.000 0.839 210 D CB -0.242 40.525 40.800 -0.055 0.000 0.962 210 D HN 0.411 nan 8.370 nan 0.000 0.446 211 Q N -0.076 119.674 119.800 -0.084 0.000 2.112 211 Q HA -0.100 4.240 4.340 -0.001 0.000 0.206 211 Q C 2.427 178.342 176.000 -0.141 0.000 0.987 211 Q CA 1.250 57.021 55.803 -0.053 0.000 0.858 211 Q CB -0.537 28.198 28.738 -0.006 0.000 0.905 211 Q HN 0.421 nan 8.270 nan 0.000 0.420 212 L N -0.889 120.181 121.223 -0.255 0.000 2.131 212 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 212 L C 1.713 178.212 176.870 -0.618 0.000 1.092 212 L CA 0.700 55.260 54.840 -0.465 0.000 0.759 212 L CB -0.190 41.562 42.059 -0.512 0.000 0.903 212 L HN 0.311 nan 8.230 nan 0.000 0.435 213 F N -0.342 119.291 119.950 -0.529 0.000 2.270 213 F HA -0.040 4.486 4.527 -0.001 0.000 0.295 213 F C 2.644 178.454 175.800 0.017 0.000 1.087 213 F CA 0.655 58.460 58.000 -0.326 0.000 1.365 213 F CB -0.775 38.203 39.000 -0.037 0.000 1.056 213 F HN -0.046 nan 8.300 nan 0.000 0.506 214 R N 0.581 121.204 120.500 0.205 0.000 2.094 214 R HA -0.197 4.143 4.340 -0.001 0.000 0.239 214 R C 2.089 178.564 176.300 0.292 0.000 1.137 214 R CA 1.851 58.083 56.100 0.221 0.000 0.943 214 R CB -0.647 29.753 30.300 0.166 0.000 0.850 214 R HN 0.148 nan 8.270 nan 0.000 0.433 215 I N 0.137 120.732 120.570 0.041 0.000 2.633 215 I HA -0.435 3.735 4.170 -0.001 0.000 0.205 215 I C 2.026 178.427 176.117 0.474 0.000 0.922 215 I CA 1.867 63.182 61.300 0.025 0.000 1.249 215 I CB -0.720 37.227 38.000 -0.088 0.000 0.958 215 I HN 0.122 nan 8.210 nan 0.000 0.364 216 F N 1.020 121.153 119.950 0.304 0.000 2.141 216 F HA -0.273 4.253 4.527 -0.001 0.000 0.300 216 F C 2.569 178.593 175.800 0.373 0.000 1.079 216 F CA 2.075 60.290 58.000 0.360 0.000 1.264 216 F CB -1.478 37.669 39.000 0.246 0.000 1.011 216 F HN 0.321 nan 8.300 nan 0.000 0.487 217 R N -0.806 120.004 120.500 0.517 0.000 2.313 217 R HA 0.077 4.417 4.340 -0.001 0.000 0.199 217 R C 1.251 177.600 176.300 0.082 0.000 0.958 217 R CA 1.157 57.284 56.100 0.045 0.000 1.047 217 R CB -0.893 29.159 30.300 -0.413 0.000 0.955 217 R HN 0.109 nan 8.270 nan 0.000 0.481 218 T N 0.602 115.328 114.554 0.286 0.000 2.990 218 T HA 0.193 4.542 4.350 -0.001 0.000 0.237 218 T C 1.314 176.197 174.700 0.305 0.000 1.009 218 T CA 0.466 62.740 62.100 0.289 0.000 1.195 218 T CB 0.027 69.110 68.868 0.358 0.000 0.885 218 T HN 0.075 nan 8.240 nan 0.000 0.424 219 L N 1.191 122.638 121.223 0.373 0.000 2.612 219 L HA 0.361 4.701 4.340 -0.001 0.000 0.230 219 L C 1.169 178.245 176.870 0.342 0.000 1.140 219 L CA -0.279 54.733 54.840 0.286 0.000 0.896 219 L CB -0.877 41.258 42.059 0.126 0.000 1.065 219 L HN 0.515 nan 8.230 nan 0.000 0.447 220 G N -0.039 108.969 108.800 0.347 0.000 2.730 220 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.686 220 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.686 220 G C -0.282 174.733 174.900 0.191 0.000 1.343 220 G CA -0.827 44.444 45.100 0.286 0.000 0.826 220 G HN -0.012 nan 8.290 nan 0.000 0.582 221 T N 3.975 118.538 114.554 0.016 0.000 2.761 221 T HA 0.511 4.861 4.350 -0.001 0.000 0.296 221 T C -1.735 172.725 174.700 -0.400 0.000 0.934 221 T CA -0.309 61.540 62.100 -0.418 0.000 1.091 221 T CB 1.141 69.822 68.868 -0.312 0.000 0.896 221 T HN 0.554 nan 8.240 nan 0.000 0.515 222 P HA 0.103 nan 4.420 nan 0.000 0.265 222 P C -0.349 176.800 177.300 -0.251 0.000 1.187 222 P CA -0.074 62.694 63.100 -0.555 0.000 0.766 222 P CB 0.490 31.803 31.700 -0.644 0.000 0.820 223 D N 0.471 120.798 120.400 -0.122 0.000 2.668 223 D HA 0.187 4.827 4.640 -0.001 0.000 0.249 223 D C 0.750 176.995 176.300 -0.091 0.000 1.150 223 D CA -0.286 53.659 54.000 -0.092 0.000 1.090 223 D CB 0.272 41.048 40.800 -0.039 0.000 1.244 223 D HN 0.154 nan 8.370 nan 0.000 0.636 224 E N -0.785 119.367 120.200 -0.080 0.000 2.170 224 E HA 0.004 4.353 4.350 -0.001 0.000 0.191 224 E C 1.923 178.526 176.600 0.006 0.000 0.981 224 E CA 0.330 56.686 56.400 -0.073 0.000 0.830 224 E CB 0.109 29.754 29.700 -0.092 0.000 0.775 224 E HN 0.234 nan 8.360 nan 0.000 0.470 225 V N 0.781 120.709 119.914 0.023 0.000 2.809 225 V HA -0.079 4.040 4.120 -0.001 0.000 0.256 225 V C 1.860 178.012 176.094 0.097 0.000 1.080 225 V CA 0.836 63.166 62.300 0.049 0.000 1.102 225 V CB 0.365 32.209 31.823 0.036 0.000 0.705 225 V HN 0.005 nan 8.190 nan 0.000 0.475 226 V N -0.461 119.527 119.914 0.124 0.000 3.342 226 V HA 0.208 4.327 4.120 -0.001 0.000 0.322 226 V C -0.096 176.195 176.094 0.329 0.000 1.370 226 V CA 0.186 62.612 62.300 0.210 0.000 1.170 226 V CB 0.391 32.334 31.823 0.199 0.000 1.101 226 V HN 0.784 nan 8.190 nan 0.000 0.442 227 W N 1.508 122.812 121.300 0.007 0.000 0.925 227 W HA 0.259 4.918 4.660 -0.001 0.000 0.329 227 W C -3.267 173.218 176.519 -0.057 0.000 0.987 227 W CA -2.152 55.181 57.345 -0.019 0.000 0.869 227 W CB -0.544 28.903 29.460 -0.023 0.000 0.867 227 W HN 0.113 nan 8.180 nan 0.000 0.452 228 P HA 0.312 nan 4.420 nan 0.000 0.261 228 P C 0.952 178.213 177.300 -0.065 0.000 1.173 228 P CA 3.229 66.337 63.100 0.013 0.000 0.760 228 P CB 0.790 32.516 31.700 0.044 0.000 0.783 229 G N 0.767 109.429 108.800 -0.230 0.000 2.909 229 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.198 229 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.198 229 G C 0.809 175.353 174.900 -0.593 0.000 1.124 229 G CA 0.125 45.014 45.100 -0.352 0.000 0.796 229 G HN 0.349 nan 8.290 nan 0.000 0.489 230 V N 1.795 121.195 119.914 -0.858 0.000 2.262 230 V HA -0.105 4.015 4.120 -0.001 0.000 0.232 230 V C 3.143 178.670 176.094 -0.945 0.000 1.009 230 V CA 4.072 65.737 62.300 -1.059 0.000 0.995 230 V CB -2.111 29.123 31.823 -0.982 0.000 0.646 230 V HN 1.362 nan 8.190 nan 0.000 0.472 231 T N -1.281 112.616 114.554 -1.095 0.000 3.083 231 T HA -0.323 4.026 4.350 -0.001 0.000 0.250 231 T C 1.312 175.636 174.700 -0.626 0.000 1.037 231 T CA 2.151 63.549 62.100 -1.171 0.000 1.182 231 T CB -0.984 67.575 68.868 -0.515 0.000 0.782 231 T HN 0.475 nan 8.240 nan 0.000 0.533 232 S N 1.085 116.510 115.700 -0.459 0.000 2.574 232 S HA 0.453 4.923 4.470 -0.001 0.000 0.242 232 S C 0.277 174.756 174.600 -0.202 0.000 0.982 232 S CA -0.514 57.537 58.200 -0.249 0.000 0.977 232 S CB -0.168 62.917 63.200 -0.192 0.000 0.814 232 S HN 0.548 nan 8.310 nan 0.000 0.464 233 M N 2.516 121.981 119.600 -0.226 0.000 2.238 233 M HA 0.312 4.791 4.480 -0.001 0.000 0.350 233 M C -1.617 174.679 176.300 -0.007 0.000 1.138 233 M CA -2.419 52.810 55.300 -0.118 0.000 1.040 233 M CB 0.858 33.362 32.600 -0.159 0.000 1.639 233 M HN -0.136 nan 8.290 nan 0.000 0.451 234 P HA -0.282 nan 4.420 nan 0.000 0.218 234 P C 0.489 177.816 177.300 0.046 0.000 1.132 234 P CA 1.879 64.987 63.100 0.014 0.000 0.968 234 P CB -0.139 31.568 31.700 0.011 0.000 0.783 235 D N -2.224 118.220 120.400 0.075 0.000 2.378 235 D HA -0.090 4.549 4.640 -0.001 0.000 0.222 235 D C 1.156 177.535 176.300 0.132 0.000 0.980 235 D CA 0.284 54.337 54.000 0.089 0.000 0.907 235 D CB -0.650 40.220 40.800 0.117 0.000 0.899 235 D HN 0.304 nan 8.370 nan 0.000 0.527 236 Y N 1.452 121.766 120.300 0.024 0.000 2.379 236 Y HA -0.036 4.513 4.550 -0.001 0.000 0.354 236 Y C 0.350 176.072 175.900 -0.297 0.000 1.269 236 Y CA 0.427 58.536 58.100 0.015 0.000 1.532 236 Y CB 0.496 38.937 38.460 -0.032 0.000 1.371 236 Y HN -0.342 nan 8.280 nan 0.000 0.666 237 K N 3.205 122.587 120.400 -1.697 0.000 2.610 237 K HA 0.182 4.501 4.320 -0.001 0.000 0.274 237 K C -2.585 173.212 176.600 -1.338 0.000 1.049 237 K CA -1.412 54.058 56.287 -1.361 0.000 0.945 237 K CB 1.752 33.374 32.500 -1.462 0.000 1.313 237 K HN 0.249 nan 8.250 nan 0.000 0.463 238 P HA -0.125 nan 4.420 nan 0.000 0.229 238 P C 1.044 178.192 177.300 -0.254 0.000 1.160 238 P CA 0.621 63.554 63.100 -0.278 0.000 0.777 238 P CB 0.279 31.970 31.700 -0.015 0.000 0.814 239 S N -1.585 113.923 115.700 -0.319 0.000 2.512 239 S HA -0.165 4.305 4.470 -0.001 0.000 0.253 239 S C 0.740 175.274 174.600 -0.110 0.000 0.984 239 S CA 0.519 58.596 58.200 -0.206 0.000 0.962 239 S CB -1.312 61.755 63.200 -0.222 0.000 0.747 239 S HN -0.139 nan 8.310 nan 0.000 0.525 240 F N 3.014 122.840 119.950 -0.208 0.000 2.403 240 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 240 F C -2.015 173.617 175.800 -0.280 0.000 1.176 240 F CA -2.839 55.046 58.000 -0.192 0.000 1.206 240 F CB 0.122 39.017 39.000 -0.176 0.000 1.235 240 F HN 0.049 nan 8.300 nan 0.000 0.565 241 P HA 0.158 nan 4.420 nan 0.000 0.285 241 P C -1.088 175.862 177.300 -0.584 0.000 1.259 241 P CA -0.632 62.097 63.100 -0.618 0.000 0.794 241 P CB 0.739 31.647 31.700 -1.320 0.000 0.940 242 K N 3.375 123.560 120.400 -0.359 0.000 2.183 242 K HA 0.245 4.564 4.320 -0.001 0.000 0.272 242 K C -0.654 175.944 176.600 -0.004 0.000 1.113 242 K CA -0.091 56.105 56.287 -0.153 0.000 0.949 242 K CB -0.390 32.078 32.500 -0.052 0.000 1.365 242 K HN 0.419 nan 8.250 nan 0.000 0.420 243 W N 0.786 122.060 121.300 -0.044 0.000 2.485 243 W HA 0.635 5.294 4.660 -0.001 0.000 0.364 243 W C -0.009 176.511 176.519 0.001 0.000 1.171 243 W CA -1.679 55.657 57.345 -0.015 0.000 1.304 243 W CB 1.108 30.567 29.460 -0.001 0.000 1.335 243 W HN 0.360 nan 8.180 nan 0.000 0.643 244 A N 2.133 125.101 122.820 0.246 0.000 2.318 244 A HA 0.562 4.881 4.320 -0.001 0.000 0.324 244 A C 0.115 177.768 177.584 0.115 0.000 1.170 244 A CA -0.836 51.284 52.037 0.138 0.000 0.810 244 A CB 0.786 19.843 19.000 0.096 0.000 1.198 244 A HN 0.644 nan 8.150 nan 0.000 0.484 245 R N 1.817 122.383 120.500 0.110 0.000 2.758 245 R HA 0.125 4.464 4.340 -0.001 0.000 0.263 245 R C -0.209 176.135 176.300 0.074 0.000 1.010 245 R CA 0.898 57.062 56.100 0.106 0.000 1.114 245 R CB 0.265 30.607 30.300 0.069 0.000 0.985 245 R HN 0.866 nan 8.270 nan 0.000 0.439 246 Q N 1.778 121.630 119.800 0.087 0.000 2.359 246 Q HA 0.215 4.555 4.340 -0.001 0.000 0.274 246 Q C -1.500 174.562 176.000 0.104 0.000 1.074 246 Q CA -1.031 54.815 55.803 0.071 0.000 0.810 246 Q CB 1.539 30.302 28.738 0.041 0.000 1.342 246 Q HN 0.545 nan 8.270 nan 0.000 0.427 247 D N 2.237 122.677 120.400 0.068 0.000 2.982 247 D HA -0.123 4.516 4.640 -0.001 0.000 0.222 247 D C 0.093 176.494 176.300 0.169 0.000 1.124 247 D CA 0.560 54.609 54.000 0.083 0.000 0.810 247 D CB 0.212 41.035 40.800 0.039 0.000 1.152 247 D HN 0.482 nan 8.370 nan 0.000 0.538 248 F N 1.708 121.623 119.950 -0.058 0.000 2.373 248 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 248 F C 2.447 178.189 175.800 -0.096 0.000 1.080 248 F CA 1.214 59.163 58.000 -0.085 0.000 1.417 248 F CB -0.393 38.549 39.000 -0.096 0.000 1.070 248 F HN 0.337 nan 8.300 nan 0.000 0.546 249 S N -1.359 114.366 115.700 0.042 0.000 2.631 249 S HA 0.027 4.496 4.470 -0.001 0.000 0.217 249 S C 1.484 176.036 174.600 -0.079 0.000 0.958 249 S CA -0.116 58.058 58.200 -0.044 0.000 0.920 249 S CB -0.212 62.982 63.200 -0.010 0.000 0.776 249 S HN 0.189 nan 8.310 nan 0.000 0.517 250 K N 0.841 121.193 120.400 -0.080 0.000 2.361 250 K HA 0.283 4.603 4.320 -0.001 0.000 0.194 250 K C 1.184 177.690 176.600 -0.157 0.000 1.032 250 K CA 0.439 56.666 56.287 -0.099 0.000 1.048 250 K CB 0.194 32.654 32.500 -0.066 0.000 0.842 250 K HN 0.403 nan 8.250 nan 0.000 0.526 251 V N 1.110 120.883 119.914 -0.236 0.000 3.650 251 V HA 0.014 4.133 4.120 -0.001 0.000 0.271 251 V C 0.910 176.748 176.094 -0.427 0.000 1.281 251 V CA 0.251 62.347 62.300 -0.339 0.000 1.120 251 V CB 0.293 31.850 31.823 -0.443 0.000 0.856 251 V HN 0.105 nan 8.190 nan 0.000 0.443 252 V N -4.345 115.337 119.914 -0.388 0.000 4.682 252 V HA 0.336 4.456 4.120 -0.001 0.000 0.552 252 V C -2.032 173.907 176.094 -0.260 0.000 1.694 252 V CA -0.849 61.222 62.300 -0.381 0.000 2.718 252 V CB 0.513 32.009 31.823 -0.545 0.000 0.661 252 V HN 0.080 nan 8.190 nan 0.000 0.548 253 P HA -0.122 nan 4.420 nan 0.000 0.219 253 P C -1.116 176.118 177.300 -0.109 0.000 1.161 253 P CA 2.649 65.671 63.100 -0.130 0.000 0.909 253 P CB -0.983 30.651 31.700 -0.110 0.000 0.793 254 P HA 0.080 nan 4.420 nan 0.000 0.253 254 P C 0.086 177.351 177.300 -0.057 0.000 1.260 254 P CA 0.240 63.297 63.100 -0.072 0.000 0.800 254 P CB -0.022 31.640 31.700 -0.064 0.000 1.162 255 L N 2.026 123.196 121.223 -0.089 0.000 2.334 255 L HA 0.279 4.619 4.340 -0.001 0.000 0.277 255 L C 0.416 177.284 176.870 -0.002 0.000 1.075 255 L CA -0.522 54.288 54.840 -0.050 0.000 0.804 255 L CB 0.577 42.540 42.059 -0.161 0.000 1.174 255 L HN -0.102 nan 8.230 nan 0.000 0.438 256 D N 1.802 122.245 120.400 0.071 0.000 2.433 256 D HA 0.085 4.724 4.640 -0.001 0.000 0.255 256 D C 0.629 176.985 176.300 0.092 0.000 1.226 256 D CA -0.198 53.849 54.000 0.077 0.000 1.015 256 D CB 0.369 41.228 40.800 0.098 0.000 1.091 256 D HN 0.585 nan 8.370 nan 0.000 0.527 257 E N -0.703 119.550 120.200 0.088 0.000 2.107 257 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 257 E C 1.078 177.761 176.600 0.138 0.000 0.982 257 E CA 0.906 57.360 56.400 0.089 0.000 0.809 257 E CB -0.082 29.661 29.700 0.072 0.000 0.756 257 E HN 0.441 nan 8.360 nan 0.000 0.459 258 D N 0.487 121.010 120.400 0.206 0.000 2.144 258 D HA -0.102 4.537 4.640 -0.001 0.000 0.199 258 D C 2.014 178.479 176.300 0.276 0.000 0.984 258 D CA 1.232 55.431 54.000 0.331 0.000 0.834 258 D CB -0.564 40.466 40.800 0.383 0.000 0.955 258 D HN 0.260 nan 8.370 nan 0.000 0.465 259 G N 0.594 109.573 108.800 0.299 0.000 2.446 259 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.217 259 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.217 259 G C 1.706 176.462 174.900 -0.239 0.000 1.168 259 G CA 0.466 45.399 45.100 -0.279 0.000 0.771 259 G HN 0.237 nan 8.290 nan 0.000 0.551 260 R N 0.089 120.558 120.500 -0.052 0.000 2.100 260 R HA 0.090 4.430 4.340 -0.001 0.000 0.220 260 R C 2.832 179.175 176.300 0.071 0.000 1.091 260 R CA 0.879 56.997 56.100 0.030 0.000 0.986 260 R CB -0.735 29.625 30.300 0.100 0.000 0.888 260 R HN 0.370 nan 8.270 nan 0.000 0.444 261 S N 1.747 117.471 115.700 0.039 0.000 2.378 261 S HA -0.203 4.267 4.470 -0.001 0.000 0.229 261 S C 1.926 176.490 174.600 -0.060 0.000 1.052 261 S CA 1.694 59.921 58.200 0.046 0.000 1.084 261 S CB -0.212 63.106 63.200 0.197 0.000 0.950 261 S HN 0.281 nan 8.310 nan 0.000 0.440 262 L N 0.871 121.886 121.223 -0.347 0.000 2.109 262 L HA 0.134 4.474 4.340 -0.001 0.000 0.207 262 L C 2.143 178.921 176.870 -0.153 0.000 1.086 262 L CA 1.429 55.964 54.840 -0.508 0.000 0.760 262 L CB -0.601 40.817 42.059 -1.067 0.000 0.910 262 L HN 0.431 nan 8.230 nan 0.000 0.437 263 L N -0.575 120.620 121.223 -0.047 0.000 2.013 263 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 263 L C 2.614 179.532 176.870 0.080 0.000 1.073 263 L CA 2.366 57.241 54.840 0.058 0.000 0.753 263 L CB -0.756 41.304 42.059 0.003 0.000 0.890 263 L HN 0.496 nan 8.230 nan 0.000 0.432 264 S N -1.233 114.494 115.700 0.046 0.000 2.368 264 S HA -0.249 4.221 4.470 -0.001 0.000 0.225 264 S C 1.852 176.352 174.600 -0.167 0.000 1.030 264 S CA 1.292 59.347 58.200 -0.242 0.000 0.999 264 S CB -0.685 62.267 63.200 -0.413 0.000 0.844 264 S HN 0.583 nan 8.310 nan 0.000 0.459 265 Q N 0.616 120.369 119.800 -0.078 0.000 2.181 265 Q HA -0.031 4.309 4.340 -0.001 0.000 0.205 265 Q C 2.182 178.205 176.000 0.039 0.000 0.980 265 Q CA 1.418 57.221 55.803 0.000 0.000 0.862 265 Q CB -0.412 28.361 28.738 0.057 0.000 0.905 265 Q HN 0.604 nan 8.270 nan 0.000 0.429 266 M N -0.121 119.485 119.600 0.010 0.000 2.254 266 M HA -0.090 4.389 4.480 -0.001 0.000 0.265 266 M C 1.185 177.451 176.300 -0.058 0.000 1.066 266 M CA 1.089 56.397 55.300 0.012 0.000 1.123 266 M CB 0.208 32.819 32.600 0.019 0.000 1.388 266 M HN 0.133 nan 8.290 nan 0.000 0.425 267 L N -1.214 119.914 121.223 -0.158 0.000 2.728 267 L HA 0.161 4.501 4.340 -0.001 0.000 0.235 267 L C 0.444 177.277 176.870 -0.062 0.000 1.197 267 L CA -0.535 54.120 54.840 -0.309 0.000 0.992 267 L CB -0.924 40.829 42.059 -0.509 0.000 1.263 267 L HN 0.125 nan 8.230 nan 0.000 0.484 268 H N 1.043 120.062 119.070 -0.084 0.000 3.192 268 H HA -0.092 4.464 4.556 -0.001 0.000 0.295 268 H C 0.223 175.516 175.328 -0.058 0.000 0.943 268 H CA 0.179 56.187 56.048 -0.067 0.000 1.416 268 H CB 0.105 29.843 29.762 -0.040 0.000 1.434 268 H HN 0.017 nan 8.280 nan 0.000 0.565 269 Y N 2.414 122.893 120.300 0.299 0.000 2.142 269 Y HA -0.218 4.331 4.550 -0.001 0.000 0.411 269 Y C 1.339 176.859 175.900 -0.634 0.000 1.202 269 Y CA 1.852 59.892 58.100 -0.100 0.000 1.737 269 Y CB -0.031 38.447 38.460 0.031 0.000 1.426 269 Y HN 0.830 nan 8.280 nan 0.000 0.805 270 D N -0.564 118.941 120.400 -1.491 0.000 4.028 270 D HA -0.132 4.508 4.640 -0.001 0.000 0.233 270 D C -2.302 173.570 176.300 -0.715 0.000 1.080 270 D CA 0.207 53.346 54.000 -1.434 0.000 1.181 270 D CB -0.088 40.165 40.800 -0.911 0.000 0.815 270 D HN 0.131 nan 8.370 nan 0.000 0.401 271 P HA -0.048 nan 4.420 nan 0.000 0.226 271 P C 1.079 178.286 177.300 -0.155 0.000 1.153 271 P CA 0.494 63.455 63.100 -0.232 0.000 0.777 271 P CB 0.258 31.876 31.700 -0.137 0.000 0.794 272 N N -0.500 118.098 118.700 -0.171 0.000 2.416 272 N HA -0.037 4.703 4.740 -0.001 0.000 0.177 272 N C 1.151 176.596 175.510 -0.108 0.000 1.036 272 N CA 0.903 53.898 53.050 -0.092 0.000 0.901 272 N CB 0.025 38.483 38.487 -0.048 0.000 0.976 272 N HN 0.119 nan 8.380 nan 0.000 0.444 273 K N 0.280 120.543 120.400 -0.228 0.000 2.380 273 K HA 0.132 4.451 4.320 -0.001 0.000 0.198 273 K C 0.598 177.145 176.600 -0.089 0.000 1.070 273 K CA -0.234 55.935 56.287 -0.197 0.000 1.040 273 K CB 0.661 32.926 32.500 -0.392 0.000 0.903 273 K HN 0.060 nan 8.250 nan 0.000 0.549 274 R N 1.736 122.174 120.500 -0.104 0.000 2.583 274 R HA 0.033 4.373 4.340 -0.001 0.000 0.274 274 R C 0.328 176.683 176.300 0.091 0.000 0.998 274 R CA -0.006 56.130 56.100 0.059 0.000 1.081 274 R CB 0.122 30.458 30.300 0.061 0.000 0.940 274 R HN 0.121 nan 8.270 nan 0.000 0.413 275 I N 2.555 123.199 120.570 0.123 0.000 2.993 275 I HA -0.046 4.123 4.170 -0.001 0.000 0.286 275 I C 0.291 176.481 176.117 0.122 0.000 1.215 275 I CA 0.482 61.857 61.300 0.124 0.000 1.393 275 I CB 0.801 38.886 38.000 0.142 0.000 1.371 275 I HN 0.826 nan 8.210 nan 0.000 0.602 276 S N 5.147 120.921 115.700 0.124 0.000 2.745 276 S HA 0.622 5.092 4.470 -0.001 0.000 0.292 276 S C 0.853 175.535 174.600 0.136 0.000 1.133 276 S CA -0.202 58.080 58.200 0.135 0.000 0.998 276 S CB 1.499 64.774 63.200 0.125 0.000 1.087 276 S HN 0.856 nan 8.310 nan 0.000 0.551 277 A N 1.239 124.142 122.820 0.139 0.000 1.873 277 A HA -0.011 4.309 4.320 -0.001 0.000 0.215 277 A C 2.134 179.758 177.584 0.066 0.000 1.186 277 A CA 1.817 53.900 52.037 0.077 0.000 0.616 277 A CB -1.191 17.808 19.000 -0.002 0.000 0.823 277 A HN 0.889 nan 8.150 nan 0.000 0.442 278 K N -0.191 120.256 120.400 0.077 0.000 2.034 278 K HA -0.177 4.143 4.320 -0.001 0.000 0.214 278 K C 2.104 178.761 176.600 0.095 0.000 1.051 278 K CA 1.828 58.157 56.287 0.070 0.000 0.931 278 K CB -0.417 32.127 32.500 0.074 0.000 0.715 278 K HN 0.435 nan 8.250 nan 0.000 0.446 279 A N -0.054 122.835 122.820 0.115 0.000 1.929 279 A HA 0.008 4.328 4.320 -0.001 0.000 0.216 279 A C 2.213 179.916 177.584 0.198 0.000 1.176 279 A CA 1.720 53.839 52.037 0.137 0.000 0.628 279 A CB -0.670 18.406 19.000 0.127 0.000 0.816 279 A HN 0.383 nan 8.150 nan 0.000 0.444 280 A N -0.524 122.428 122.820 0.219 0.000 2.067 280 A HA 0.166 4.486 4.320 -0.001 0.000 0.217 280 A C 2.025 179.886 177.584 0.461 0.000 1.156 280 A CA 0.807 53.045 52.037 0.335 0.000 0.683 280 A CB -0.458 18.707 19.000 0.276 0.000 0.808 280 A HN 0.444 nan 8.150 nan 0.000 0.455 281 L N -0.725 120.649 121.223 0.252 0.000 2.043 281 L HA -0.253 4.086 4.340 -0.001 0.000 0.212 281 L C 2.804 179.881 176.870 0.345 0.000 1.075 281 L CA 1.451 56.400 54.840 0.182 0.000 0.752 281 L CB -0.452 41.608 42.059 0.001 0.000 0.891 281 L HN 0.470 nan 8.230 nan 0.000 0.432 282 A N -2.210 120.775 122.820 0.276 0.000 2.235 282 A HA -0.101 4.219 4.320 -0.001 0.000 0.208 282 A C 0.961 178.703 177.584 0.264 0.000 1.172 282 A CA -0.009 52.168 52.037 0.233 0.000 0.786 282 A CB -0.754 18.334 19.000 0.145 0.000 0.804 282 A HN 0.364 nan 8.150 nan 0.000 0.479 283 H N 0.945 120.225 119.070 0.350 0.000 2.928 283 H HA 0.081 4.637 4.556 -0.001 0.000 0.338 283 H C -1.672 173.806 175.328 0.250 0.000 1.047 283 H CA -1.083 55.136 56.048 0.285 0.000 1.435 283 H CB 1.264 31.194 29.762 0.280 0.000 1.428 283 H HN 0.089 nan 8.280 nan 0.000 0.590 284 P HA -0.157 nan 4.420 nan 0.000 0.223 284 P C 1.610 179.017 177.300 0.178 0.000 1.151 284 P CA 0.621 63.736 63.100 0.024 0.000 0.787 284 P CB -0.250 31.403 31.700 -0.078 0.000 0.788 285 F N 0.396 120.532 119.950 0.311 0.000 2.141 285 F HA -0.222 4.304 4.527 -0.001 0.000 0.300 285 F C 1.514 177.203 175.800 -0.185 0.000 1.079 285 F CA 1.583 59.590 58.000 0.011 0.000 1.264 285 F CB -0.739 38.130 39.000 -0.219 0.000 1.011 285 F HN -0.235 nan 8.300 nan 0.000 0.487 286 F N 0.431 120.482 119.950 0.167 0.000 2.811 286 F HA 0.062 4.589 4.527 -0.001 0.000 0.301 286 F C 2.146 177.809 175.800 -0.228 0.000 1.151 286 F CA 0.361 58.305 58.000 -0.093 0.000 1.412 286 F CB -0.949 38.083 39.000 0.053 0.000 1.113 286 F HN 0.041 nan 8.300 nan 0.000 0.579 287 Q N 0.194 119.985 119.800 -0.015 0.000 2.226 287 Q HA -0.164 4.176 4.340 -0.001 0.000 0.204 287 Q C 0.705 176.647 176.000 -0.097 0.000 0.975 287 Q CA 1.599 57.377 55.803 -0.042 0.000 0.866 287 Q CB -0.005 28.717 28.738 -0.027 0.000 0.915 287 Q HN 0.408 nan 8.270 nan 0.000 0.440 288 D N -1.516 118.795 120.400 -0.148 0.000 2.599 288 D HA 0.054 4.694 4.640 -0.001 0.000 0.249 288 D C 0.080 176.280 176.300 -0.166 0.000 1.313 288 D CA -0.282 53.635 54.000 -0.138 0.000 0.815 288 D CB -0.386 40.334 40.800 -0.133 0.000 1.077 288 D HN -0.028 nan 8.370 nan 0.000 0.492 289 V N 1.484 121.273 119.914 -0.208 0.000 3.178 289 V HA 0.375 4.494 4.120 -0.001 0.000 0.306 289 V C 0.405 176.417 176.094 -0.137 0.000 1.107 289 V CA 1.115 63.298 62.300 -0.196 0.000 1.195 289 V CB 0.987 32.623 31.823 -0.312 0.000 0.993 289 V HN 0.656 nan 8.190 nan 0.000 0.493 290 T N 2.701 117.205 114.554 -0.084 0.000 2.645 290 T HA 0.453 4.802 4.350 -0.001 0.000 0.300 290 T C -0.796 173.900 174.700 -0.008 0.000 1.210 290 T CA -0.860 61.214 62.100 -0.044 0.000 1.034 290 T CB 1.571 70.412 68.868 -0.046 0.000 1.537 290 T HN 0.596 nan 8.240 nan 0.000 0.492 291 K N 2.459 122.862 120.400 0.004 0.000 2.592 291 K HA 0.431 4.751 4.320 -0.001 0.000 0.212 291 K C -2.680 173.928 176.600 0.013 0.000 1.013 291 K CA -1.572 54.731 56.287 0.026 0.000 1.034 291 K CB 0.873 33.401 32.500 0.047 0.000 1.292 291 K HN 0.484 nan 8.250 nan 0.000 0.521 292 P HA 0.190 nan 4.420 nan 0.000 0.284 292 P C -0.481 176.811 177.300 -0.012 0.000 1.258 292 P CA -0.722 62.369 63.100 -0.015 0.000 0.824 292 P CB 1.277 32.956 31.700 -0.036 0.000 1.038 293 V N -0.151 119.763 119.914 0.000 0.000 2.612 293 V HA 0.607 4.727 4.120 -0.001 0.000 0.301 293 V C -2.312 173.784 176.094 0.004 0.000 1.046 293 V CA -2.232 60.071 62.300 0.004 0.000 0.946 293 V CB 0.673 32.505 31.823 0.015 0.000 1.003 293 V HN 0.481 nan 8.190 nan 0.000 0.459 294 P HA 0.042 nan 4.420 nan 0.000 0.267 294 P C -0.484 176.886 177.300 0.117 0.000 1.200 294 P CA 0.097 63.169 63.100 -0.047 0.000 0.772 294 P CB 0.151 31.599 31.700 -0.419 0.000 0.855 295 H N 3.325 122.485 119.070 0.151 0.000 3.004 295 H HA 0.126 4.682 4.556 -0.001 0.000 0.267 295 H C -0.204 175.234 175.328 0.183 0.000 1.165 295 H CA -0.725 55.405 56.048 0.137 0.000 1.450 295 H CB 0.306 30.141 29.762 0.122 0.000 1.488 295 H HN 0.164 nan 8.280 nan 0.000 0.478 296 L N 0.000 121.179 121.223 -0.073 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 296 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 296 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502