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 2zgi_1_B DATA FIRST_RESID 2 DATA SEQUENCE RLLNGTPLAL ALPEAFLYHG ASVFTTLRAE GGRPLWLEEH LARLRRHALA DATA SEQUENCE LGLSYPGDEA FLEDLEALLR AFPKAPcLRL RFTVGEGVRL SEARPYAPLP DATA SEQUENCE LSLYREGVRV RLTGYRVHPD LARYKTGNYL PYRLALEEAR KEGAFEGLLL DATA SEQUENCE DAFGHVVDGS RTSPLLFREG TLYLLEGGLE GITREKVAEA ARGLGLRVER DATA SEQUENCE GLFRPEGLRG HLLLAGSGVG LLPVRPPPPE LLPLIERFLP AcYT 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.325 176.300 0.042 0.000 0.893 2 R CA 0.000 56.134 56.100 0.057 0.000 0.921 2 R CB 0.000 30.338 30.300 0.064 0.000 0.687 3 L N 3.352 124.601 121.223 0.045 0.000 2.322 3 L HA 0.540 4.880 4.340 -0.001 0.000 0.281 3 L C -0.803 176.092 176.870 0.041 0.000 1.014 3 L CA -1.008 53.852 54.840 0.035 0.000 0.815 3 L CB 1.596 43.672 42.059 0.027 0.000 1.247 3 L HN 0.359 nan 8.230 nan 0.000 0.421 4 L N 4.963 126.206 121.223 0.033 0.000 2.276 4 L HA 0.464 4.803 4.340 -0.001 0.000 0.286 4 L C 0.215 177.100 176.870 0.025 0.000 1.024 4 L CA 0.131 54.990 54.840 0.033 0.000 0.826 4 L CB 0.441 42.516 42.059 0.027 0.000 1.211 4 L HN 0.577 nan 8.230 nan 0.000 0.422 5 N N 4.468 123.184 118.700 0.026 0.000 2.710 5 N HA -0.231 4.508 4.740 -0.001 0.000 0.249 5 N C 0.966 176.486 175.510 0.016 0.000 1.059 5 N CA 1.283 54.345 53.050 0.020 0.000 0.720 5 N CB -1.202 37.295 38.487 0.017 0.000 0.983 5 N HN 1.219 nan 8.380 nan 0.000 0.544 6 G N -2.760 106.050 108.800 0.018 0.000 2.195 6 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.246 6 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.246 6 G C 0.121 175.029 174.900 0.014 0.000 0.984 6 G CA 0.536 45.645 45.100 0.015 0.000 0.633 6 G HN 0.501 nan 8.290 nan 0.000 0.525 7 T N 3.057 117.619 114.554 0.015 0.000 2.779 7 T HA 0.564 4.913 4.350 -0.001 0.000 0.280 7 T C -2.514 172.195 174.700 0.014 0.000 0.987 7 T CA -1.015 61.092 62.100 0.013 0.000 0.966 7 T CB 2.328 71.203 68.868 0.011 0.000 0.933 7 T HN 0.002 nan 8.240 nan 0.000 0.442 8 P HA 0.044 nan 4.420 nan 0.000 0.259 8 P C -0.914 176.393 177.300 0.012 0.000 1.163 8 P CA -0.223 62.886 63.100 0.014 0.000 0.760 8 P CB 0.270 31.976 31.700 0.010 0.000 0.762 9 L N 3.971 125.203 121.223 0.015 0.000 2.322 9 L HA 0.701 5.040 4.340 -0.001 0.000 0.281 9 L C -0.482 176.392 176.870 0.006 0.000 1.014 9 L CA -0.837 54.010 54.840 0.010 0.000 0.815 9 L CB 1.364 43.432 42.059 0.014 0.000 1.247 9 L HN 0.347 nan 8.230 nan 0.000 0.421 10 A N 4.945 127.765 122.820 -0.000 0.000 2.327 10 A HA 0.411 4.730 4.320 -0.001 0.000 0.283 10 A C 1.231 178.809 177.584 -0.011 0.000 1.127 10 A CA -0.451 51.583 52.037 -0.004 0.000 0.810 10 A CB 0.251 19.247 19.000 -0.006 0.000 1.066 10 A HN 1.035 nan 8.150 nan 0.000 0.492 11 L N 1.792 123.008 121.223 -0.011 0.000 2.114 11 L HA -0.427 3.912 4.340 -0.001 0.000 0.245 11 L C 2.690 179.540 176.870 -0.033 0.000 1.114 11 L CA 2.776 57.605 54.840 -0.020 0.000 0.843 11 L CB -0.932 41.117 42.059 -0.017 0.000 0.945 11 L HN 1.227 nan 8.230 nan 0.000 0.446 12 A N -1.599 121.201 122.820 -0.034 0.000 1.346 12 A HA -0.327 3.993 4.320 -0.001 0.000 0.342 12 A C 0.518 178.066 177.584 -0.060 0.000 1.689 12 A CA 2.034 54.045 52.037 -0.043 0.000 1.090 12 A CB -1.522 17.456 19.000 -0.035 0.000 1.472 12 A HN 0.328 nan 8.150 nan 0.000 0.721 13 L N 1.048 122.237 121.223 -0.056 0.000 2.325 13 L HA 0.559 4.898 4.340 -0.001 0.000 0.278 13 L C -2.307 174.534 176.870 -0.049 0.000 1.023 13 L CA -2.230 52.576 54.840 -0.058 0.000 0.811 13 L CB 1.533 43.597 42.059 0.008 0.000 1.249 13 L HN 0.304 nan 8.230 nan 0.000 0.431 14 P HA 0.050 nan 4.420 nan 0.000 0.272 14 P C 0.406 177.687 177.300 -0.032 0.000 1.223 14 P CA -0.371 62.719 63.100 -0.016 0.000 0.784 14 P CB 0.769 32.474 31.700 0.008 0.000 0.923 15 E N 2.133 122.300 120.200 -0.056 0.000 2.065 15 E HA -0.322 4.028 4.350 -0.001 0.000 0.201 15 E C 1.708 178.214 176.600 -0.156 0.000 1.016 15 E CA 1.963 58.299 56.400 -0.106 0.000 0.818 15 E CB -0.470 29.252 29.700 0.036 0.000 0.749 15 E HN 0.480 nan 8.360 nan 0.000 0.453 16 A N 0.377 123.171 122.820 -0.044 0.000 1.883 16 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 16 A C 2.074 179.692 177.584 0.056 0.000 1.186 16 A CA 1.583 53.634 52.037 0.022 0.000 0.624 16 A CB -1.008 18.082 19.000 0.151 0.000 0.822 16 A HN 0.545 nan 8.150 nan 0.000 0.444 17 F N -0.064 119.859 119.950 -0.045 0.000 2.134 17 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 17 F C 1.877 177.630 175.800 -0.078 0.000 1.097 17 F CA 1.798 59.779 58.000 -0.032 0.000 1.264 17 F CB -0.165 38.816 39.000 -0.033 0.000 1.001 17 F HN 0.225 nan 8.300 nan 0.000 0.479 18 L N -1.110 120.063 121.223 -0.083 0.000 2.095 18 L HA -0.121 4.218 4.340 -0.001 0.000 0.204 18 L C 1.358 178.058 176.870 -0.285 0.000 1.080 18 L CA 1.869 56.549 54.840 -0.266 0.000 0.759 18 L CB -0.852 40.921 42.059 -0.476 0.000 0.914 18 L HN 0.155 nan 8.230 nan 0.000 0.439 19 Y N -2.142 118.059 120.300 -0.165 0.000 2.444 19 Y HA 0.213 4.763 4.550 -0.001 0.000 0.252 19 Y C 1.624 177.527 175.900 0.005 0.000 1.091 19 Y CA 0.239 58.249 58.100 -0.150 0.000 1.276 19 Y CB -0.073 38.209 38.460 -0.297 0.000 1.170 19 Y HN 0.332 nan 8.280 nan 0.000 0.517 20 H N -1.859 117.275 119.070 0.107 0.000 2.893 20 H HA 0.331 4.886 4.556 -0.001 0.000 0.270 20 H C 1.593 176.923 175.328 0.004 0.000 1.095 20 H CA 0.116 56.201 56.048 0.062 0.000 1.186 20 H CB 0.746 30.552 29.762 0.075 0.000 1.562 20 H HN 0.262 nan 8.280 nan 0.000 0.536 21 G N 1.730 110.551 108.800 0.036 0.000 2.233 21 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.270 21 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.270 21 G C 0.557 175.447 174.900 -0.017 0.000 1.011 21 G CA 0.329 45.397 45.100 -0.053 0.000 0.762 21 G HN 0.544 nan 8.290 nan 0.000 0.511 22 A N 0.295 123.130 122.820 0.026 0.000 2.981 22 A HA 0.649 4.968 4.320 -0.001 0.000 0.280 22 A C 0.903 178.571 177.584 0.139 0.000 1.743 22 A CA 0.981 53.077 52.037 0.097 0.000 1.430 22 A CB -0.465 18.627 19.000 0.153 0.000 1.085 22 A HN 1.956 nan 8.150 nan 0.000 0.597 23 S N -0.224 115.553 115.700 0.129 0.000 2.596 23 S HA 0.768 5.238 4.470 -0.001 0.000 0.270 23 S C -0.566 174.177 174.600 0.239 0.000 1.155 23 S CA -0.153 58.189 58.200 0.237 0.000 0.827 23 S CB 1.406 64.776 63.200 0.285 0.000 1.130 23 S HN 1.422 nan 8.310 nan 0.000 0.467 24 V N -0.711 119.375 119.914 0.287 0.000 2.960 24 V HA 1.036 5.155 4.120 -0.001 0.000 0.315 24 V C -0.748 175.573 176.094 0.378 0.000 1.087 24 V CA -1.049 61.422 62.300 0.285 0.000 0.982 24 V CB 0.909 32.855 31.823 0.205 0.000 1.039 24 V HN 1.554 nan 8.190 nan 0.000 0.437 25 F N -0.814 119.216 119.950 0.133 0.000 2.713 25 F HA 0.902 5.429 4.527 -0.001 0.000 0.311 25 F C -0.823 175.022 175.800 0.075 0.000 1.141 25 F CA -0.333 57.725 58.000 0.095 0.000 0.939 25 F CB 1.554 40.577 39.000 0.038 0.000 1.325 25 F HN 0.847 nan 8.300 nan 0.000 0.453 26 T N 0.501 115.115 114.554 0.101 0.000 2.868 26 T HA 0.686 5.035 4.350 -0.001 0.000 0.306 26 T C -1.465 173.278 174.700 0.072 0.000 1.224 26 T CA -0.104 61.986 62.100 -0.016 0.000 1.012 26 T CB 1.699 70.622 68.868 0.092 0.000 1.221 26 T HN 1.212 nan 8.240 nan 0.000 0.499 27 T N 2.139 116.705 114.554 0.020 0.000 2.824 27 T HA 0.799 5.148 4.350 -0.001 0.000 0.282 27 T C -0.933 173.611 174.700 -0.259 0.000 0.993 27 T CA -0.712 61.349 62.100 -0.066 0.000 0.967 27 T CB 0.952 69.865 68.868 0.076 0.000 0.960 27 T HN 0.360 nan 8.240 nan 0.000 0.441 28 L N 1.598 122.592 121.223 -0.383 0.000 2.301 28 L HA 0.728 5.068 4.340 -0.001 0.000 0.264 28 L C 0.188 176.909 176.870 -0.248 0.000 1.016 28 L CA -1.098 53.467 54.840 -0.458 0.000 0.821 28 L CB 1.925 43.640 42.059 -0.574 0.000 1.346 28 L HN 0.717 nan 8.230 nan 0.000 0.429 29 R N 0.698 121.066 120.500 -0.220 0.000 2.562 29 R HA 0.884 5.223 4.340 -0.001 0.000 0.298 29 R C -1.408 174.725 176.300 -0.278 0.000 0.961 29 R CA -0.555 55.393 56.100 -0.253 0.000 0.881 29 R CB 1.717 31.829 30.300 -0.314 0.000 1.159 29 R HN 0.798 nan 8.270 nan 0.000 0.450 30 A N 3.641 126.297 122.820 -0.273 0.000 2.342 30 A HA 0.442 4.762 4.320 -0.001 0.000 0.323 30 A C -1.133 176.299 177.584 -0.254 0.000 1.125 30 A CA -0.705 51.192 52.037 -0.235 0.000 0.785 30 A CB 1.241 20.131 19.000 -0.183 0.000 1.221 30 A HN 0.824 nan 8.150 nan 0.000 0.463 31 E N 0.987 121.051 120.200 -0.227 0.000 2.191 31 E HA 0.484 4.833 4.350 -0.001 0.000 0.263 31 E C 0.513 177.026 176.600 -0.144 0.000 0.881 31 E CA -0.245 56.030 56.400 -0.208 0.000 0.757 31 E CB 1.573 31.136 29.700 -0.228 0.000 1.147 31 E HN 1.367 nan 8.360 nan 0.000 0.414 32 G N 2.531 111.262 108.800 -0.115 0.000 2.258 32 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.274 32 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.274 32 G C 0.916 175.780 174.900 -0.060 0.000 1.021 32 G CA 0.666 45.721 45.100 -0.075 0.000 0.798 32 G HN 1.186 nan 8.290 nan 0.000 0.507 33 G N -1.512 107.245 108.800 -0.073 0.000 2.213 33 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.236 33 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.236 33 G C 0.389 175.263 174.900 -0.043 0.000 0.991 33 G CA 0.950 46.024 45.100 -0.044 0.000 0.629 33 G HN 1.141 nan 8.290 nan 0.000 0.517 34 R N 1.362 121.823 120.500 -0.065 0.000 2.338 34 R HA 0.541 4.880 4.340 -0.001 0.000 0.317 34 R C -2.761 173.484 176.300 -0.092 0.000 0.968 34 R CA -1.902 54.164 56.100 -0.057 0.000 0.849 34 R CB 1.500 31.766 30.300 -0.056 0.000 1.128 34 R HN 0.070 nan 8.270 nan 0.000 0.448 35 P HA 0.124 nan 4.420 nan 0.000 0.286 35 P C -0.882 176.353 177.300 -0.109 0.000 1.269 35 P CA -0.590 62.451 63.100 -0.099 0.000 0.787 35 P CB 0.715 32.386 31.700 -0.050 0.000 0.920 36 L N 4.757 125.852 121.223 -0.213 0.000 2.462 36 L HA 0.110 4.449 4.340 -0.001 0.000 0.272 36 L C 0.412 177.241 176.870 -0.067 0.000 1.166 36 L CA 0.580 55.190 54.840 -0.384 0.000 0.880 36 L CB -0.919 40.712 42.059 -0.712 0.000 1.142 36 L HN 0.516 nan 8.230 nan 0.000 0.473 37 W N 3.335 124.701 121.300 0.109 0.000 5.121 37 W HA -0.248 4.412 4.660 -0.000 0.000 0.372 37 W C 1.034 177.676 176.519 0.204 0.000 1.394 37 W CA 0.188 57.614 57.345 0.135 0.000 0.885 37 W CB -1.891 27.641 29.460 0.120 0.000 2.520 37 W HN 0.548 nan 8.180 nan 0.000 1.455 38 L N 0.968 122.373 121.223 0.303 0.000 2.012 38 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 38 L C 2.378 179.394 176.870 0.243 0.000 1.073 38 L CA 2.962 57.959 54.840 0.261 0.000 0.748 38 L CB -0.701 41.466 42.059 0.180 0.000 0.891 38 L HN 0.232 nan 8.230 nan 0.000 0.431 39 E N -0.724 119.590 120.200 0.189 0.000 2.058 39 E HA -0.286 4.063 4.350 -0.001 0.000 0.194 39 E C 1.968 178.625 176.600 0.095 0.000 0.997 39 E CA 1.610 58.089 56.400 0.131 0.000 0.801 39 E CB -0.010 29.752 29.700 0.104 0.000 0.746 39 E HN 0.592 nan 8.360 nan 0.000 0.450 40 E N -0.312 119.943 120.200 0.091 0.000 2.077 40 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 40 E C 2.102 178.657 176.600 -0.074 0.000 0.989 40 E CA 1.254 57.638 56.400 -0.026 0.000 0.800 40 E CB -0.198 29.444 29.700 -0.098 0.000 0.746 40 E HN 0.379 nan 8.360 nan 0.000 0.452 41 H N -0.046 119.056 119.070 0.053 0.000 2.321 41 H HA -0.039 4.516 4.556 -0.001 0.000 0.300 41 H C 2.220 177.534 175.328 -0.023 0.000 1.087 41 H CA 1.244 57.304 56.048 0.021 0.000 1.319 41 H CB -0.192 29.619 29.762 0.082 0.000 1.379 41 H HN 0.161 nan 8.280 nan 0.000 0.501 42 L N 0.062 121.371 121.223 0.143 0.000 2.046 42 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 42 L C 2.922 179.751 176.870 -0.068 0.000 1.077 42 L CA 0.902 55.782 54.840 0.066 0.000 0.747 42 L CB -0.489 41.653 42.059 0.138 0.000 0.896 42 L HN 0.210 nan 8.230 nan 0.000 0.432 43 A N 0.131 122.911 122.820 -0.066 0.000 1.902 43 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 43 A C 2.440 179.900 177.584 -0.207 0.000 1.181 43 A CA 1.816 53.777 52.037 -0.125 0.000 0.623 43 A CB -0.559 18.395 19.000 -0.077 0.000 0.818 43 A HN 0.354 nan 8.150 nan 0.000 0.443 44 R N -0.861 119.504 120.500 -0.225 0.000 2.066 44 R HA -0.109 4.230 4.340 -0.001 0.000 0.232 44 R C 2.059 178.068 176.300 -0.485 0.000 1.131 44 R CA 1.598 57.477 56.100 -0.369 0.000 0.955 44 R CB -0.456 29.601 30.300 -0.405 0.000 0.851 44 R HN 0.395 nan 8.270 nan 0.000 0.432 45 L N 1.679 122.706 121.223 -0.328 0.000 2.043 45 L HA -0.216 4.124 4.340 -0.001 0.000 0.212 45 L C 2.568 179.251 176.870 -0.311 0.000 1.075 45 L CA 1.936 56.642 54.840 -0.224 0.000 0.752 45 L CB -0.618 41.393 42.059 -0.080 0.000 0.891 45 L HN 0.186 nan 8.230 nan 0.000 0.432 46 R N -0.751 119.366 120.500 -0.638 0.000 2.073 46 R HA -0.167 4.172 4.340 -0.001 0.000 0.234 46 R C 2.440 178.545 176.300 -0.324 0.000 1.134 46 R CA 1.684 57.255 56.100 -0.881 0.000 0.952 46 R CB -0.187 29.486 30.300 -1.045 0.000 0.850 46 R HN 0.371 nan 8.270 nan 0.000 0.433 47 R N -0.979 119.397 120.500 -0.206 0.000 2.081 47 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 47 R C 2.254 178.608 176.300 0.090 0.000 1.131 47 R CA 1.809 57.889 56.100 -0.033 0.000 0.960 47 R CB -0.438 29.874 30.300 0.020 0.000 0.856 47 R HN 0.568 nan 8.270 nan 0.000 0.436 48 H N -0.175 118.859 119.070 -0.060 0.000 2.321 48 H HA -0.057 4.498 4.556 -0.002 0.000 0.300 48 H C 2.230 177.452 175.328 -0.176 0.000 1.087 48 H CA 0.695 56.680 56.048 -0.105 0.000 1.319 48 H CB 0.032 29.788 29.762 -0.010 0.000 1.379 48 H HN 0.296 nan 8.280 nan 0.000 0.501 49 A N 1.550 124.402 122.820 0.054 0.000 1.865 49 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 49 A C 2.460 180.050 177.584 0.010 0.000 1.191 49 A CA 1.238 53.310 52.037 0.059 0.000 0.623 49 A CB -0.822 18.275 19.000 0.162 0.000 0.826 49 A HN 0.263 nan 8.150 nan 0.000 0.444 50 L N -0.943 120.279 121.223 -0.000 0.000 2.042 50 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 50 L C 3.093 179.941 176.870 -0.035 0.000 1.076 50 L CA 1.443 56.284 54.840 0.001 0.000 0.749 50 L CB -0.891 41.171 42.059 0.005 0.000 0.893 50 L HN 0.494 nan 8.230 nan 0.000 0.432 51 A N -0.156 122.609 122.820 -0.092 0.000 2.019 51 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 51 A C 1.965 179.421 177.584 -0.214 0.000 1.164 51 A CA 1.247 53.190 52.037 -0.156 0.000 0.644 51 A CB -0.385 18.447 19.000 -0.280 0.000 0.805 51 A HN 0.465 nan 8.150 nan 0.000 0.449 52 L N -1.663 119.424 121.223 -0.226 0.000 2.769 52 L HA 0.331 4.671 4.340 -0.001 0.000 0.240 52 L C 1.374 178.215 176.870 -0.048 0.000 1.163 52 L CA 0.354 55.098 54.840 -0.159 0.000 0.962 52 L CB 0.056 41.997 42.059 -0.198 0.000 1.258 52 L HN 0.488 nan 8.230 nan 0.000 0.513 53 G N 0.935 109.722 108.800 -0.022 0.000 2.143 53 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.248 53 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.248 53 G C 0.017 174.939 174.900 0.037 0.000 0.991 53 G CA -0.141 44.967 45.100 0.014 0.000 0.689 53 G HN 0.243 nan 8.290 nan 0.000 0.522 54 L N 1.379 122.631 121.223 0.048 0.000 2.289 54 L HA 0.522 4.861 4.340 -0.001 0.000 0.285 54 L C 0.643 177.576 176.870 0.104 0.000 1.049 54 L CA -0.743 54.147 54.840 0.083 0.000 0.804 54 L CB 1.772 43.897 42.059 0.110 0.000 1.195 54 L HN 0.098 nan 8.230 nan 0.000 0.428 55 S N 2.024 117.780 115.700 0.094 0.000 2.488 55 S HA 0.136 4.605 4.470 -0.001 0.000 0.278 55 S C -0.558 174.130 174.600 0.146 0.000 1.259 55 S CA -0.217 58.041 58.200 0.096 0.000 1.061 55 S CB 0.026 63.254 63.200 0.045 0.000 0.910 55 S HN 0.329 nan 8.310 nan 0.000 0.491 56 Y N 6.237 126.563 120.300 0.043 0.000 2.313 56 Y HA 0.389 4.939 4.550 -0.001 0.000 0.332 56 Y C -1.486 174.431 175.900 0.028 0.000 1.071 56 Y CA -2.163 55.977 58.100 0.067 0.000 1.169 56 Y CB 0.873 39.380 38.460 0.080 0.000 1.192 56 Y HN 0.473 nan 8.280 nan 0.000 0.487 57 P HA 0.258 nan 4.420 nan 0.000 0.249 57 P C -0.232 176.755 177.300 -0.521 0.000 1.229 57 P CA 0.850 63.657 63.100 -0.489 0.000 0.788 57 P CB 0.154 31.545 31.700 -0.514 0.000 1.072 58 G N 1.164 109.499 108.800 -0.774 0.000 2.712 58 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 58 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 58 G C -0.020 174.730 174.900 -0.251 0.000 1.181 58 G CA -0.304 44.603 45.100 -0.321 0.000 0.762 58 G HN -0.058 nan 8.290 nan 0.000 0.641 59 D N 0.155 120.610 120.400 0.091 0.000 2.133 59 D HA -0.114 4.525 4.640 -0.001 0.000 0.195 59 D C 2.124 178.446 176.300 0.036 0.000 0.997 59 D CA 1.395 55.491 54.000 0.160 0.000 0.840 59 D CB 0.059 40.960 40.800 0.169 0.000 0.947 59 D HN 0.583 nan 8.370 nan 0.000 0.452 60 E N 0.735 120.923 120.200 -0.021 0.000 2.160 60 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 60 E C 1.888 178.418 176.600 -0.116 0.000 0.991 60 E CA 0.988 57.359 56.400 -0.048 0.000 0.810 60 E CB -0.031 29.642 29.700 -0.045 0.000 0.742 60 E HN 0.188 nan 8.360 nan 0.000 0.466 61 A N -0.009 122.678 122.820 -0.222 0.000 1.930 61 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 61 A C 1.981 179.320 177.584 -0.407 0.000 1.175 61 A CA 1.089 52.920 52.037 -0.343 0.000 0.627 61 A CB -0.766 17.939 19.000 -0.493 0.000 0.815 61 A HN 0.243 nan 8.150 nan 0.000 0.443 62 F N 0.038 119.811 119.950 -0.295 0.000 2.206 62 F HA -0.014 4.513 4.527 -0.001 0.000 0.298 62 F C 2.088 177.706 175.800 -0.303 0.000 1.090 62 F CA 0.922 58.644 58.000 -0.464 0.000 1.323 62 F CB -0.451 38.075 39.000 -0.789 0.000 1.028 62 F HN 0.085 nan 8.300 nan 0.000 0.492 63 L N -0.332 120.889 121.223 -0.004 0.000 2.046 63 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 63 L C 2.506 179.392 176.870 0.027 0.000 1.077 63 L CA 1.611 56.472 54.840 0.036 0.000 0.747 63 L CB -0.736 41.345 42.059 0.036 0.000 0.896 63 L HN 0.190 nan 8.230 nan 0.000 0.432 64 E N 0.562 120.750 120.200 -0.021 0.000 2.058 64 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 64 E C 1.615 178.217 176.600 0.004 0.000 0.997 64 E CA 1.819 58.206 56.400 -0.022 0.000 0.801 64 E CB 0.082 29.744 29.700 -0.062 0.000 0.746 64 E HN 0.431 nan 8.360 nan 0.000 0.450 65 D N 0.642 121.040 120.400 -0.002 0.000 2.104 65 D HA -0.184 4.455 4.640 -0.001 0.000 0.194 65 D C 2.010 178.404 176.300 0.157 0.000 0.994 65 D CA 0.760 54.802 54.000 0.071 0.000 0.830 65 D CB -0.501 40.359 40.800 0.100 0.000 0.959 65 D HN 0.171 nan 8.370 nan 0.000 0.452 66 L N 1.457 122.802 121.223 0.205 0.000 1.990 66 L HA -0.227 4.112 4.340 -0.001 0.000 0.213 66 L C 1.924 178.885 176.870 0.151 0.000 1.072 66 L CA 1.875 56.859 54.840 0.241 0.000 0.755 66 L CB -0.604 41.615 42.059 0.265 0.000 0.889 66 L HN 0.051 nan 8.230 nan 0.000 0.432 67 E N -0.658 119.604 120.200 0.103 0.000 2.085 67 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 67 E C 2.154 178.799 176.600 0.073 0.000 0.994 67 E CA 1.241 57.686 56.400 0.075 0.000 0.801 67 E CB -0.372 29.357 29.700 0.048 0.000 0.743 67 E HN 0.682 nan 8.360 nan 0.000 0.453 68 A N 1.191 124.053 122.820 0.070 0.000 1.908 68 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 68 A C 2.206 179.842 177.584 0.087 0.000 1.181 68 A CA 1.186 53.259 52.037 0.060 0.000 0.627 68 A CB -0.646 18.381 19.000 0.046 0.000 0.818 68 A HN 0.134 nan 8.150 nan 0.000 0.445 69 L N -1.198 120.107 121.223 0.137 0.000 2.056 69 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 69 L C 2.381 179.407 176.870 0.260 0.000 1.078 69 L CA 0.607 55.568 54.840 0.201 0.000 0.749 69 L CB -0.471 41.721 42.059 0.222 0.000 0.901 69 L HN 0.273 nan 8.230 nan 0.000 0.433 70 L N -0.289 121.050 121.223 0.195 0.000 2.141 70 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 70 L C 2.619 179.580 176.870 0.151 0.000 1.094 70 L CA 1.458 56.412 54.840 0.190 0.000 0.763 70 L CB -1.042 41.087 42.059 0.116 0.000 0.908 70 L HN 0.193 nan 8.230 nan 0.000 0.437 71 R N -0.348 120.206 120.500 0.089 0.000 2.127 71 R HA -0.153 4.186 4.340 -0.001 0.000 0.238 71 R C 1.707 178.001 176.300 -0.011 0.000 1.134 71 R CA 1.394 57.516 56.100 0.036 0.000 0.975 71 R CB -0.055 30.255 30.300 0.017 0.000 0.865 71 R HN 0.346 nan 8.270 nan 0.000 0.447 72 A N -0.603 122.186 122.820 -0.052 0.000 2.278 72 A HA 0.102 4.422 4.320 -0.001 0.000 0.212 72 A C -0.088 177.136 177.584 -0.600 0.000 1.213 72 A CA 0.061 51.927 52.037 -0.286 0.000 0.840 72 A CB 0.196 18.987 19.000 -0.349 0.000 0.866 72 A HN 0.242 nan 8.150 nan 0.000 0.489 73 F N -0.254 119.699 119.950 0.005 0.000 2.564 73 F HA 0.290 4.817 4.527 -0.001 0.000 0.329 73 F C -1.673 174.126 175.800 -0.002 0.000 1.458 73 F CA -1.837 56.163 58.000 0.001 0.000 1.117 73 F CB 1.346 40.346 39.000 -0.001 0.000 1.383 73 F HN 0.059 nan 8.300 nan 0.000 0.571 74 P HA -0.182 nan 4.420 nan 0.000 0.225 74 P C 0.878 178.217 177.300 0.064 0.000 1.148 74 P CA 1.272 64.409 63.100 0.060 0.000 0.779 74 P CB 0.151 31.863 31.700 0.021 0.000 0.780 75 K N 0.086 120.538 120.400 0.086 0.000 2.228 75 K HA 0.206 4.525 4.320 -0.001 0.000 0.202 75 K C 1.175 177.812 176.600 0.062 0.000 1.051 75 K CA 0.769 57.097 56.287 0.070 0.000 0.960 75 K CB -0.704 31.849 32.500 0.090 0.000 0.743 75 K HN -0.063 nan 8.250 nan 0.000 0.458 76 A N 2.306 125.179 122.820 0.089 0.000 2.667 76 A HA -0.109 4.210 4.320 -0.001 0.000 0.298 76 A C -1.983 175.596 177.584 -0.008 0.000 1.483 76 A CA 0.252 52.313 52.037 0.040 0.000 0.738 76 A CB -2.034 16.976 19.000 0.018 0.000 1.067 76 A HN 0.443 nan 8.150 nan 0.000 0.451 77 P HA 0.398 nan 4.420 nan 0.000 0.277 77 P C 0.483 177.719 177.300 -0.106 0.000 1.276 77 P CA -0.726 62.348 63.100 -0.043 0.000 0.788 77 P CB 0.378 32.069 31.700 -0.016 0.000 1.114 78 c N 0.054 118.589 118.600 -0.109 0.000 2.611 78 c HA 0.188 4.757 4.570 -0.001 0.000 0.416 78 c C 0.808 174.809 174.090 -0.148 0.000 1.366 78 c CA 0.269 56.503 56.329 -0.159 0.000 1.761 78 c CB -1.902 40.499 42.510 -0.181 0.000 2.619 78 c HN 0.283 nan 8.230 nan 0.000 0.606 79 L N 4.114 125.212 121.223 -0.208 0.000 2.381 79 L HA 0.581 4.921 4.340 -0.001 0.000 0.268 79 L C 0.187 176.974 176.870 -0.140 0.000 0.997 79 L CA -0.547 54.150 54.840 -0.240 0.000 0.818 79 L CB 1.196 43.035 42.059 -0.366 0.000 1.310 79 L HN 0.618 nan 8.230 nan 0.000 0.416 80 R N 3.066 123.527 120.500 -0.064 0.000 2.229 80 R HA 0.664 5.003 4.340 -0.001 0.000 0.328 80 R C -1.643 174.577 176.300 -0.133 0.000 1.009 80 R CA -0.515 55.566 56.100 -0.031 0.000 0.864 80 R CB 0.855 31.190 30.300 0.059 0.000 1.085 80 R HN 0.507 nan 8.270 nan 0.000 0.453 81 L N 3.445 124.543 121.223 -0.208 0.000 2.333 81 L HA 0.620 4.960 4.340 -0.001 0.000 0.269 81 L C -0.060 176.603 176.870 -0.345 0.000 1.010 81 L CA -0.722 53.931 54.840 -0.312 0.000 0.818 81 L CB 1.891 43.660 42.059 -0.484 0.000 1.306 81 L HN 0.531 nan 8.230 nan 0.000 0.430 82 R N 1.064 121.370 120.500 -0.324 0.000 2.575 82 R HA 0.634 4.974 4.340 -0.001 0.000 0.293 82 R C -1.940 174.277 176.300 -0.138 0.000 0.983 82 R CA -0.528 55.454 56.100 -0.197 0.000 0.887 82 R CB 1.239 31.517 30.300 -0.036 0.000 1.184 82 R HN 0.355 nan 8.270 nan 0.000 0.445 83 F N 1.656 121.611 119.950 0.008 0.000 2.467 83 F HA 0.438 4.965 4.527 -0.001 0.000 0.336 83 F C -0.120 175.728 175.800 0.080 0.000 1.123 83 F CA -0.575 57.390 58.000 -0.059 0.000 0.964 83 F CB 2.520 41.184 39.000 -0.560 0.000 1.136 83 F HN 0.300 nan 8.300 nan 0.000 0.447 84 T N 3.067 117.891 114.554 0.451 0.000 2.861 84 T HA 0.654 5.003 4.350 -0.001 0.000 0.287 84 T C -0.907 174.065 174.700 0.454 0.000 1.003 84 T CA -0.652 61.704 62.100 0.427 0.000 0.977 84 T CB 2.003 71.103 68.868 0.387 0.000 0.996 84 T HN 0.202 nan 8.240 nan 0.000 0.448 85 V N 2.396 122.565 119.914 0.425 0.000 2.444 85 V HA 0.845 4.964 4.120 -0.001 0.000 0.294 85 V C 0.515 176.801 176.094 0.321 0.000 1.022 85 V CA -0.452 62.062 62.300 0.356 0.000 0.850 85 V CB 1.589 33.651 31.823 0.398 0.000 0.992 85 V HN 1.085 nan 8.190 nan 0.000 0.426 86 G N 2.410 111.345 108.800 0.226 0.000 3.042 86 G HA2 0.582 4.541 3.960 -0.001 0.000 0.278 86 G HA3 0.582 4.541 3.960 -0.001 0.000 0.278 86 G C -0.849 174.119 174.900 0.113 0.000 1.371 86 G CA -0.545 44.710 45.100 0.259 0.000 1.009 86 G HN 0.451 nan 8.290 nan 0.000 0.523 87 E N 0.238 120.507 120.200 0.114 0.000 2.415 87 E HA 0.306 4.656 4.350 -0.001 0.000 0.260 87 E C 1.208 177.809 176.600 0.003 0.000 1.016 87 E CA 1.067 57.502 56.400 0.057 0.000 0.924 87 E CB 0.646 30.387 29.700 0.068 0.000 0.961 87 E HN 1.204 nan 8.360 nan 0.000 0.459 88 G N 2.505 111.288 108.800 -0.028 0.000 2.225 88 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 88 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 88 G C -0.003 174.821 174.900 -0.127 0.000 1.024 88 G CA 0.482 45.540 45.100 -0.069 0.000 0.784 88 G HN 0.350 nan 8.290 nan 0.000 0.507 89 V N -0.290 119.535 119.914 -0.148 0.000 2.567 89 V HA 0.621 4.740 4.120 -0.001 0.000 0.298 89 V C 0.142 176.126 176.094 -0.184 0.000 1.047 89 V CA -0.898 61.243 62.300 -0.264 0.000 0.880 89 V CB 1.945 33.428 31.823 -0.567 0.000 1.009 89 V HN 0.438 nan 8.190 nan 0.000 0.429 90 R N 4.207 124.595 120.500 -0.187 0.000 2.409 90 R HA 0.706 5.045 4.340 -0.001 0.000 0.313 90 R C -2.024 174.241 176.300 -0.059 0.000 0.953 90 R CA -0.698 55.317 56.100 -0.143 0.000 0.849 90 R CB 1.464 31.550 30.300 -0.357 0.000 1.171 90 R HN 0.519 nan 8.270 nan 0.000 0.458 91 L N 2.646 123.942 121.223 0.122 0.000 2.356 91 L HA 0.530 4.870 4.340 -0.001 0.000 0.277 91 L C -1.163 175.918 176.870 0.352 0.000 0.996 91 L CA -0.161 54.770 54.840 0.151 0.000 0.822 91 L CB 2.123 44.249 42.059 0.112 0.000 1.256 91 L HN 0.591 nan 8.230 nan 0.000 0.413 92 S N 4.035 119.921 115.700 0.309 0.000 2.538 92 S HA 0.821 5.290 4.470 -0.001 0.000 0.288 92 S C -1.180 173.576 174.600 0.260 0.000 1.108 92 S CA -0.775 57.698 58.200 0.455 0.000 0.971 92 S CB 2.146 65.665 63.200 0.532 0.000 1.041 92 S HN 0.625 nan 8.310 nan 0.000 0.483 93 E N 0.788 121.099 120.200 0.185 0.000 2.433 93 E HA 0.828 5.177 4.350 -0.001 0.000 0.278 93 E C -1.502 175.119 176.600 0.035 0.000 0.976 93 E CA -1.422 55.041 56.400 0.106 0.000 0.793 93 E CB 1.865 31.611 29.700 0.077 0.000 1.311 93 E HN 0.601 nan 8.360 nan 0.000 0.460 94 A N 1.273 124.133 122.820 0.067 0.000 2.549 94 A HA 0.831 5.151 4.320 -0.001 0.000 0.297 94 A C -1.061 176.538 177.584 0.025 0.000 1.061 94 A CA -0.738 51.293 52.037 -0.009 0.000 0.690 94 A CB 1.664 20.667 19.000 0.005 0.000 1.287 94 A HN 0.821 nan 8.150 nan 0.000 0.402 95 R N 0.812 121.244 120.500 -0.113 0.000 2.716 95 R HA 0.700 5.039 4.340 -0.001 0.000 0.271 95 R C -3.239 172.947 176.300 -0.191 0.000 1.028 95 R CA -1.721 54.343 56.100 -0.060 0.000 0.883 95 R CB 1.359 31.672 30.300 0.021 0.000 1.250 95 R HN 0.382 nan 8.270 nan 0.000 0.465 96 P HA -0.087 nan 4.420 nan 0.000 0.265 96 P C -1.139 176.138 177.300 -0.039 0.000 1.193 96 P CA 0.154 63.191 63.100 -0.105 0.000 0.765 96 P CB 0.137 31.828 31.700 -0.014 0.000 0.823 97 Y N 3.143 123.352 120.300 -0.152 0.000 2.497 97 Y HA 0.266 4.815 4.550 -0.001 0.000 0.334 97 Y C 0.071 175.921 175.900 -0.084 0.000 1.199 97 Y CA -0.181 57.850 58.100 -0.115 0.000 1.425 97 Y CB 0.433 38.811 38.460 -0.136 0.000 1.291 97 Y HN 0.484 nan 8.280 nan 0.000 0.562 98 A N 9.214 131.626 122.820 -0.679 0.000 2.412 98 A HA 0.455 4.775 4.320 -0.001 0.000 0.334 98 A C -2.564 174.604 177.584 -0.693 0.000 1.419 98 A CA -1.656 50.092 52.037 -0.482 0.000 0.930 98 A CB -0.565 18.276 19.000 -0.266 0.000 1.149 98 A HN 0.616 nan 8.150 nan 0.000 0.515 99 P HA 0.224 nan 4.420 nan 0.000 0.271 99 P C -0.047 177.253 177.300 -0.000 0.000 1.218 99 P CA -0.105 62.857 63.100 -0.230 0.000 0.780 99 P CB 0.739 32.276 31.700 -0.272 0.000 0.901 100 L N 3.814 125.145 121.223 0.181 0.000 2.482 100 L HA 0.141 4.480 4.340 -0.001 0.000 0.273 100 L C -1.717 175.328 176.870 0.292 0.000 1.228 100 L CA -1.640 53.315 54.840 0.192 0.000 0.827 100 L CB -0.648 41.480 42.059 0.115 0.000 1.099 100 L HN 0.256 nan 8.230 nan 0.000 0.494 101 P HA -0.075 nan 4.420 nan 0.000 0.265 101 P C 0.413 177.814 177.300 0.168 0.000 1.193 101 P CA -0.184 63.016 63.100 0.168 0.000 0.765 101 P CB 0.548 32.292 31.700 0.072 0.000 0.823 102 L N 3.604 124.880 121.223 0.089 0.000 2.127 102 L HA -0.192 4.147 4.340 -0.001 0.000 0.211 102 L C 2.013 178.893 176.870 0.017 0.000 1.089 102 L CA 1.978 56.730 54.840 -0.147 0.000 0.757 102 L CB -1.229 40.557 42.059 -0.456 0.000 0.899 102 L HN 0.259 nan 8.230 nan 0.000 0.434 103 S N -0.746 114.957 115.700 0.005 0.000 2.440 103 S HA -0.107 4.362 4.470 -0.001 0.000 0.238 103 S C 1.849 176.439 174.600 -0.017 0.000 1.010 103 S CA 1.107 59.305 58.200 -0.003 0.000 0.972 103 S CB -0.362 62.834 63.200 -0.006 0.000 0.774 103 S HN 0.479 nan 8.310 nan 0.000 0.501 104 L N -0.497 120.690 121.223 -0.060 0.000 2.275 104 L HA -0.071 4.269 4.340 -0.001 0.000 0.215 104 L C 1.580 178.282 176.870 -0.281 0.000 1.119 104 L CA 1.043 55.757 54.840 -0.210 0.000 0.790 104 L CB -0.494 41.355 42.059 -0.349 0.000 0.919 104 L HN 0.380 nan 8.230 nan 0.000 0.443 105 Y N 0.088 120.344 120.300 -0.074 0.000 2.561 105 Y HA -0.104 4.445 4.550 -0.002 0.000 0.291 105 Y C 2.637 178.504 175.900 -0.055 0.000 1.141 105 Y CA 0.636 58.699 58.100 -0.062 0.000 1.303 105 Y CB -0.142 38.284 38.460 -0.057 0.000 1.015 105 Y HN 0.231 nan 8.280 nan 0.000 0.547 106 R N -0.409 120.123 120.500 0.054 0.000 2.221 106 R HA 0.114 4.453 4.340 -0.001 0.000 0.195 106 R C 1.282 177.580 176.300 -0.005 0.000 0.956 106 R CA 0.699 56.810 56.100 0.018 0.000 1.064 106 R CB -0.280 30.025 30.300 0.010 0.000 1.049 106 R HN 0.211 nan 8.270 nan 0.000 0.534 107 E N 0.991 121.178 120.200 -0.023 0.000 2.190 107 E HA 0.143 4.492 4.350 -0.001 0.000 0.191 107 E C 0.411 176.989 176.600 -0.038 0.000 0.978 107 E CA 0.514 56.899 56.400 -0.026 0.000 0.839 107 E CB 0.316 29.997 29.700 -0.032 0.000 0.787 107 E HN 0.507 nan 8.360 nan 0.000 0.473 108 G N 0.962 109.713 108.800 -0.081 0.000 2.829 108 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.628 108 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.628 108 G C -0.113 174.718 174.900 -0.114 0.000 1.412 108 G CA -0.336 44.703 45.100 -0.100 0.000 0.864 108 G HN 0.414 nan 8.290 nan 0.000 0.544 109 V N -2.657 117.186 119.914 -0.118 0.000 3.181 109 V HA 0.979 5.098 4.120 -0.001 0.000 0.314 109 V C 0.504 176.599 176.094 0.002 0.000 1.173 109 V CA -1.277 60.974 62.300 -0.082 0.000 1.052 109 V CB 1.861 33.579 31.823 -0.175 0.000 1.123 109 V HN 1.082 nan 8.190 nan 0.000 0.454 110 R N 0.114 120.646 120.500 0.053 0.000 2.668 110 R HA 0.831 5.170 4.340 -0.001 0.000 0.279 110 R C -0.853 175.509 176.300 0.104 0.000 0.976 110 R CA -0.526 55.612 56.100 0.064 0.000 0.978 110 R CB 2.049 32.380 30.300 0.052 0.000 1.133 110 R HN 0.920 nan 8.270 nan 0.000 0.484 111 V N -0.563 119.399 119.914 0.081 0.000 2.960 111 V HA 0.741 4.860 4.120 -0.001 0.000 0.315 111 V C -0.830 175.298 176.094 0.058 0.000 1.087 111 V CA -1.122 61.228 62.300 0.085 0.000 0.982 111 V CB 1.921 33.793 31.823 0.082 0.000 1.039 111 V HN 0.737 nan 8.190 nan 0.000 0.437 112 R N 2.482 123.014 120.500 0.053 0.000 2.480 112 R HA 0.689 5.028 4.340 -0.001 0.000 0.306 112 R C -1.375 174.950 176.300 0.041 0.000 0.958 112 R CA -0.725 55.400 56.100 0.041 0.000 0.861 112 R CB 1.409 31.733 30.300 0.039 0.000 1.171 112 R HN 0.980 nan 8.270 nan 0.000 0.445 113 L N 4.497 125.738 121.223 0.030 0.000 2.315 113 L HA 0.431 4.770 4.340 -0.001 0.000 0.283 113 L C -0.318 176.563 176.870 0.018 0.000 1.089 113 L CA 0.604 55.460 54.840 0.027 0.000 0.833 113 L CB 0.924 42.994 42.059 0.017 0.000 1.170 113 L HN 0.948 nan 8.230 nan 0.000 0.442 114 T N 0.947 115.520 114.554 0.031 0.000 2.936 114 T HA 0.570 4.920 4.350 -0.001 0.000 0.282 114 T C 0.940 175.607 174.700 -0.054 0.000 1.003 114 T CA -0.221 61.889 62.100 0.017 0.000 1.005 114 T CB 1.486 70.452 68.868 0.164 0.000 1.097 114 T HN 0.627 nan 8.240 nan 0.000 0.532 115 G N -0.426 108.259 108.800 -0.190 0.000 2.985 115 G HA2 0.171 4.130 3.960 -0.001 0.000 0.209 115 G HA3 0.171 4.130 3.960 -0.001 0.000 0.209 115 G C -0.163 174.567 174.900 -0.282 0.000 1.165 115 G CA -0.333 44.624 45.100 -0.237 0.000 0.776 115 G HN 0.702 nan 8.290 nan 0.000 0.541 116 Y N 0.688 120.944 120.300 -0.075 0.000 2.511 116 Y HA 0.422 4.971 4.550 -0.001 0.000 0.332 116 Y C 0.897 176.724 175.900 -0.122 0.000 1.177 116 Y CA -0.303 57.734 58.100 -0.106 0.000 1.422 116 Y CB 0.570 38.949 38.460 -0.136 0.000 1.271 116 Y HN -0.091 nan 8.280 nan 0.000 0.550 117 R N 1.268 121.785 120.500 0.029 0.000 2.598 117 R HA 0.524 4.863 4.340 -0.001 0.000 0.279 117 R C -0.691 175.555 176.300 -0.091 0.000 0.984 117 R CA -0.891 55.188 56.100 -0.036 0.000 0.999 117 R CB 0.957 31.227 30.300 -0.050 0.000 1.114 117 R HN 0.563 nan 8.270 nan 0.000 0.493 118 V N -0.753 119.108 119.914 -0.088 0.000 3.185 118 V HA 0.256 4.375 4.120 -0.001 0.000 0.305 118 V C 0.096 176.201 176.094 0.017 0.000 1.090 118 V CA -0.476 61.782 62.300 -0.070 0.000 1.107 118 V CB 0.912 32.755 31.823 0.034 0.000 1.061 118 V HN 0.790 nan 8.190 nan 0.000 0.480 119 H N 3.529 122.615 119.070 0.027 0.000 2.646 119 H HA 0.366 4.922 4.556 -0.001 0.000 0.325 119 H C -1.946 173.411 175.328 0.049 0.000 1.075 119 H CA -1.217 54.858 56.048 0.045 0.000 1.421 119 H CB 1.593 31.403 29.762 0.081 0.000 1.461 119 H HN 0.510 nan 8.280 nan 0.000 0.525 120 P HA -0.196 nan 4.420 nan 0.000 0.216 120 P C 0.501 177.845 177.300 0.074 0.000 1.154 120 P CA 1.498 64.517 63.100 -0.135 0.000 0.865 120 P CB 0.378 31.936 31.700 -0.237 0.000 0.789 121 D N -1.516 119.081 120.400 0.328 0.000 2.277 121 D HA 0.062 4.701 4.640 -0.001 0.000 0.209 121 D C 1.812 178.295 176.300 0.306 0.000 0.970 121 D CA 0.803 55.000 54.000 0.327 0.000 0.874 121 D CB -0.094 40.928 40.800 0.369 0.000 0.982 121 D HN 0.230 nan 8.370 nan 0.000 0.504 122 L N 0.709 122.167 121.223 0.392 0.000 2.585 122 L HA 0.244 4.583 4.340 -0.001 0.000 0.226 122 L C 2.359 179.345 176.870 0.194 0.000 1.113 122 L CA 0.002 55.015 54.840 0.287 0.000 0.876 122 L CB -0.100 42.058 42.059 0.166 0.000 1.072 122 L HN -0.111 nan 8.230 nan 0.000 0.468 123 A N 1.893 124.814 122.820 0.169 0.000 1.986 123 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 123 A C 2.331 179.913 177.584 -0.003 0.000 1.171 123 A CA 1.889 54.013 52.037 0.145 0.000 0.640 123 A CB -0.512 18.559 19.000 0.119 0.000 0.811 123 A HN 0.600 nan 8.150 nan 0.000 0.451 124 R N -2.361 118.003 120.500 -0.227 0.000 2.313 124 R HA 0.116 4.455 4.340 -0.001 0.000 0.199 124 R C -0.674 175.248 176.300 -0.630 0.000 0.958 124 R CA 0.176 56.015 56.100 -0.434 0.000 1.047 124 R CB -0.265 29.687 30.300 -0.580 0.000 0.955 124 R HN 0.433 nan 8.270 nan 0.000 0.481 125 Y N 0.648 120.800 120.300 -0.246 0.000 2.562 125 Y HA 0.370 4.920 4.550 -0.001 0.000 0.343 125 Y C -0.308 175.423 175.900 -0.281 0.000 1.025 125 Y CA -1.874 55.865 58.100 -0.602 0.000 1.082 125 Y CB 1.560 39.732 38.460 -0.480 0.000 1.264 125 Y HN -0.222 nan 8.280 nan 0.000 0.478 126 K N 2.149 122.532 120.400 -0.028 0.000 2.257 126 K HA 0.366 4.686 4.320 -0.001 0.000 0.270 126 K C -0.629 175.928 176.600 -0.072 0.000 1.098 126 K CA -0.148 56.053 56.287 -0.143 0.000 0.943 126 K CB 0.059 32.365 32.500 -0.324 0.000 1.316 126 K HN 0.881 nan 8.250 nan 0.000 0.447 127 T N -0.777 113.882 114.554 0.174 0.000 2.926 127 T HA 0.382 4.731 4.350 -0.001 0.000 0.289 127 T C 1.155 176.097 174.700 0.404 0.000 1.054 127 T CA -0.740 61.543 62.100 0.304 0.000 1.015 127 T CB 1.657 70.642 68.868 0.194 0.000 1.167 127 T HN 0.351 nan 8.240 nan 0.000 0.526 128 G N 0.407 109.351 108.800 0.239 0.000 2.559 128 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.216 128 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.216 128 G C 0.455 175.425 174.900 0.116 0.000 1.126 128 G CA -0.166 44.978 45.100 0.074 0.000 0.778 128 G HN 0.692 nan 8.290 nan 0.000 0.543 129 N N 0.201 119.010 118.700 0.182 0.000 2.895 129 N HA 0.190 4.930 4.740 -0.001 0.000 0.277 129 N C -0.436 175.282 175.510 0.345 0.000 1.185 129 N CA -0.325 52.840 53.050 0.192 0.000 1.106 129 N CB 0.305 38.865 38.487 0.122 0.000 1.422 129 N HN 0.252 nan 8.380 nan 0.000 0.521 130 Y N 0.676 121.071 120.300 0.157 0.000 2.531 130 Y HA 0.240 4.789 4.550 -0.001 0.000 0.249 130 Y C 1.371 177.409 175.900 0.229 0.000 1.168 130 Y CA -0.187 58.068 58.100 0.259 0.000 1.226 130 Y CB 0.241 38.762 38.460 0.102 0.000 1.177 130 Y HN 0.280 nan 8.280 nan 0.000 0.527 131 L N 1.601 122.908 121.223 0.140 0.000 2.042 131 L HA -0.058 4.282 4.340 -0.001 0.000 0.210 131 L C -0.852 175.916 176.870 -0.171 0.000 1.076 131 L CA 2.059 56.895 54.840 -0.008 0.000 0.749 131 L CB -1.493 40.569 42.059 0.004 0.000 0.893 131 L HN 0.033 nan 8.230 nan 0.000 0.432 132 P HA -0.190 nan 4.420 nan 0.000 0.215 132 P C 1.231 178.188 177.300 -0.571 0.000 1.153 132 P CA 1.633 64.485 63.100 -0.414 0.000 0.853 132 P CB -0.156 31.299 31.700 -0.409 0.000 0.788 133 Y N -0.191 119.854 120.300 -0.425 0.000 2.097 133 Y HA -0.173 4.376 4.550 -0.002 0.000 0.282 133 Y C 2.642 178.249 175.900 -0.489 0.000 1.152 133 Y CA 1.333 59.107 58.100 -0.543 0.000 1.136 133 Y CB -1.064 36.773 38.460 -1.037 0.000 0.975 133 Y HN -0.190 nan 8.280 nan 0.000 0.498 134 R N 0.189 120.494 120.500 -0.325 0.000 2.112 134 R HA -0.219 4.121 4.340 -0.001 0.000 0.242 134 R C 2.237 178.397 176.300 -0.234 0.000 1.137 134 R CA 2.033 58.026 56.100 -0.178 0.000 0.944 134 R CB -0.907 29.340 30.300 -0.087 0.000 0.857 134 R HN 0.369 nan 8.270 nan 0.000 0.435 135 L N -0.064 120.921 121.223 -0.398 0.000 2.046 135 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 135 L C 2.719 179.245 176.870 -0.573 0.000 1.077 135 L CA 1.205 55.694 54.840 -0.585 0.000 0.747 135 L CB -0.561 40.861 42.059 -1.062 0.000 0.896 135 L HN 0.278 nan 8.230 nan 0.000 0.432 136 A N -0.059 122.432 122.820 -0.549 0.000 1.902 136 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 136 A C 2.203 179.748 177.584 -0.066 0.000 1.181 136 A CA 1.730 53.678 52.037 -0.148 0.000 0.623 136 A CB -0.674 18.279 19.000 -0.078 0.000 0.818 136 A HN 0.327 nan 8.150 nan 0.000 0.443 137 L N 0.059 121.220 121.223 -0.104 0.000 2.056 137 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 137 L C 2.163 178.998 176.870 -0.059 0.000 1.078 137 L CA 2.344 57.138 54.840 -0.077 0.000 0.749 137 L CB -0.663 41.346 42.059 -0.082 0.000 0.901 137 L HN 0.523 nan 8.230 nan 0.000 0.433 138 E N -0.485 119.676 120.200 -0.065 0.000 2.070 138 E HA -0.317 4.032 4.350 -0.001 0.000 0.197 138 E C 2.072 178.672 176.600 0.000 0.000 1.004 138 E CA 1.629 58.008 56.400 -0.035 0.000 0.805 138 E CB -0.186 29.487 29.700 -0.045 0.000 0.744 138 E HN 0.631 nan 8.360 nan 0.000 0.451 139 E N 0.440 120.659 120.200 0.031 0.000 2.058 139 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 139 E C 2.070 178.694 176.600 0.040 0.000 0.997 139 E CA 1.118 57.559 56.400 0.068 0.000 0.801 139 E CB -0.103 29.690 29.700 0.154 0.000 0.746 139 E HN 0.240 nan 8.360 nan 0.000 0.450 140 A N 1.262 124.098 122.820 0.027 0.000 1.883 140 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 140 A C 2.177 179.768 177.584 0.011 0.000 1.186 140 A CA 1.838 53.886 52.037 0.018 0.000 0.624 140 A CB -0.599 18.402 19.000 0.001 0.000 0.822 140 A HN 0.217 nan 8.150 nan 0.000 0.444 141 R N -0.493 120.004 120.500 -0.005 0.000 2.120 141 R HA -0.085 4.255 4.340 -0.001 0.000 0.234 141 R C 2.128 178.434 176.300 0.009 0.000 1.123 141 R CA 1.382 57.480 56.100 -0.004 0.000 0.975 141 R CB -0.245 30.042 30.300 -0.022 0.000 0.866 141 R HN 0.515 nan 8.270 nan 0.000 0.446 142 K N 0.883 121.290 120.400 0.012 0.000 2.152 142 K HA -0.187 4.132 4.320 -0.001 0.000 0.206 142 K C 1.259 177.869 176.600 0.017 0.000 1.048 142 K CA 1.649 57.945 56.287 0.015 0.000 0.933 142 K CB 0.038 32.549 32.500 0.018 0.000 0.721 142 K HN 0.434 nan 8.250 nan 0.000 0.447 143 E N -0.734 119.478 120.200 0.020 0.000 2.496 143 E HA 0.145 4.494 4.350 -0.001 0.000 0.200 143 E C 0.459 177.076 176.600 0.027 0.000 1.016 143 E CA 0.184 56.597 56.400 0.022 0.000 0.962 143 E CB 0.521 30.234 29.700 0.021 0.000 1.071 143 E HN 0.204 nan 8.360 nan 0.000 0.457 144 G N 0.851 109.668 108.800 0.029 0.000 2.187 144 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.261 144 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.261 144 G C 0.447 175.383 174.900 0.059 0.000 1.000 144 G CA 0.186 45.310 45.100 0.040 0.000 0.718 144 G HN 0.707 nan 8.290 nan 0.000 0.519 145 A N -0.715 122.139 122.820 0.057 0.000 2.401 145 A HA 0.667 4.986 4.320 -0.001 0.000 0.259 145 A C 0.866 178.515 177.584 0.109 0.000 1.103 145 A CA 0.539 52.627 52.037 0.084 0.000 0.789 145 A CB 0.372 19.410 19.000 0.063 0.000 1.035 145 A HN 1.075 nan 8.150 nan 0.000 0.491 146 F N 0.915 120.870 119.950 0.007 0.000 2.234 146 F HA 0.084 4.610 4.527 -0.001 0.000 0.299 146 F C 0.827 176.641 175.800 0.023 0.000 1.087 146 F CA 1.933 59.938 58.000 0.008 0.000 1.340 146 F CB 0.254 39.251 39.000 -0.005 0.000 1.031 146 F HN 0.652 nan 8.300 nan 0.000 0.500 147 E N -0.449 119.764 120.200 0.021 0.000 2.356 147 E HA 0.504 4.853 4.350 -0.001 0.000 0.275 147 E C -0.754 175.859 176.600 0.021 0.000 0.904 147 E CA -0.651 55.725 56.400 -0.040 0.000 0.757 147 E CB 1.660 31.436 29.700 0.127 0.000 1.232 147 E HN 0.123 nan 8.360 nan 0.000 0.442 148 G N 2.909 111.712 108.800 0.005 0.000 2.388 148 G HA2 0.619 4.578 3.960 -0.001 0.000 0.330 148 G HA3 0.619 4.578 3.960 -0.001 0.000 0.330 148 G C -0.950 173.983 174.900 0.054 0.000 1.142 148 G CA -0.648 44.473 45.100 0.034 0.000 0.908 148 G HN 0.427 nan 8.290 nan 0.000 0.473 149 L N 1.196 122.456 121.223 0.062 0.000 2.325 149 L HA 0.579 4.918 4.340 -0.001 0.000 0.278 149 L C -0.515 176.391 176.870 0.060 0.000 1.023 149 L CA -0.844 54.036 54.840 0.066 0.000 0.811 149 L CB 1.805 43.901 42.059 0.062 0.000 1.249 149 L HN 0.232 nan 8.230 nan 0.000 0.431 150 L N 2.658 123.913 121.223 0.054 0.000 2.319 150 L HA 0.610 4.949 4.340 -0.001 0.000 0.267 150 L C -0.260 176.635 176.870 0.041 0.000 1.011 150 L CA -0.202 54.655 54.840 0.028 0.000 0.818 150 L CB 1.774 43.800 42.059 -0.055 0.000 1.316 150 L HN 0.372 nan 8.230 nan 0.000 0.432 151 L N -0.016 121.222 121.223 0.026 0.000 2.331 151 L HA 0.601 4.940 4.340 -0.001 0.000 0.268 151 L C -0.623 176.272 176.870 0.042 0.000 1.015 151 L CA -1.044 53.822 54.840 0.042 0.000 0.807 151 L CB 1.504 43.569 42.059 0.010 0.000 1.293 151 L HN 0.642 nan 8.230 nan 0.000 0.451 152 D N 0.191 120.643 120.400 0.087 0.000 2.529 152 D HA 0.299 4.939 4.640 -0.001 0.000 0.273 152 D C 0.713 177.007 176.300 -0.010 0.000 1.197 152 D CA -0.337 53.709 54.000 0.078 0.000 1.070 152 D CB 1.040 41.965 40.800 0.208 0.000 1.134 152 D HN 0.513 nan 8.370 nan 0.000 0.590 153 A N -1.024 121.735 122.820 -0.102 0.000 2.121 153 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 153 A C 1.701 179.031 177.584 -0.422 0.000 1.154 153 A CA 0.706 52.565 52.037 -0.296 0.000 0.679 153 A CB -0.962 17.785 19.000 -0.422 0.000 0.795 153 A HN 0.473 nan 8.150 nan 0.000 0.458 154 F N -1.258 118.623 119.950 -0.115 0.000 2.664 154 F HA 0.332 4.860 4.527 0.000 0.000 0.296 154 F C 1.937 177.542 175.800 -0.325 0.000 1.125 154 F CA 0.728 58.583 58.000 -0.241 0.000 1.444 154 F CB 0.118 38.910 39.000 -0.346 0.000 1.114 154 F HN 0.346 nan 8.300 nan 0.000 0.576 155 G N -0.742 107.998 108.800 -0.100 0.000 2.159 155 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.227 155 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.227 155 G C 0.109 174.975 174.900 -0.056 0.000 0.986 155 G CA -0.419 44.629 45.100 -0.087 0.000 0.651 155 G HN 0.342 nan 8.290 nan 0.000 0.523 156 H N -0.218 118.917 119.070 0.108 0.000 2.852 156 H HA 0.345 4.901 4.556 -0.001 0.000 0.362 156 H C 0.496 175.874 175.328 0.085 0.000 1.122 156 H CA 0.494 56.600 56.048 0.095 0.000 1.419 156 H CB 1.209 31.030 29.762 0.099 0.000 1.401 156 H HN 0.074 nan 8.280 nan 0.000 0.609 157 V N 4.029 124.080 119.914 0.228 0.000 2.368 157 V HA 0.011 4.130 4.120 -0.001 0.000 0.266 157 V C 1.348 177.535 176.094 0.155 0.000 1.045 157 V CA -0.088 62.302 62.300 0.149 0.000 0.899 157 V CB 0.910 32.800 31.823 0.111 0.000 1.006 157 V HN 0.734 nan 8.190 nan 0.000 0.470 158 V N 0.075 120.068 119.914 0.133 0.000 3.604 158 V HA 0.559 4.679 4.120 -0.001 0.000 0.277 158 V C 0.191 176.356 176.094 0.119 0.000 1.399 158 V CA 0.304 62.681 62.300 0.128 0.000 1.034 158 V CB 0.712 32.612 31.823 0.129 0.000 0.824 158 V HN 0.724 nan 8.190 nan 0.000 0.439 159 D N -1.064 119.408 120.400 0.120 0.000 2.694 159 D HA 0.525 5.165 4.640 -0.001 0.000 0.260 159 D C -0.398 175.986 176.300 0.139 0.000 1.250 159 D CA 0.448 54.535 54.000 0.144 0.000 0.763 159 D CB 2.157 43.088 40.800 0.219 0.000 1.311 159 D HN 0.310 nan 8.370 nan 0.000 0.420 160 G N -0.454 108.437 108.800 0.151 0.000 2.488 160 G HA2 0.419 4.378 3.960 -0.001 0.000 0.318 160 G HA3 0.419 4.378 3.960 -0.001 0.000 0.318 160 G C 0.756 175.776 174.900 0.200 0.000 1.188 160 G CA -0.151 45.035 45.100 0.144 0.000 0.944 160 G HN 0.299 nan 8.290 nan 0.000 0.495 161 S N -0.421 115.372 115.700 0.154 0.000 2.382 161 S HA -0.110 4.359 4.470 -0.001 0.000 0.228 161 S C 1.894 176.612 174.600 0.197 0.000 1.027 161 S CA 1.549 59.860 58.200 0.185 0.000 0.991 161 S CB -0.118 63.107 63.200 0.042 0.000 0.823 161 S HN 0.745 nan 8.310 nan 0.000 0.469 162 R N 0.345 120.944 120.500 0.164 0.000 2.504 162 R HA 0.118 4.458 4.340 -0.001 0.000 0.396 162 R C -0.597 175.804 176.300 0.169 0.000 0.896 162 R CA -0.067 56.150 56.100 0.195 0.000 1.152 162 R CB -0.097 30.326 30.300 0.204 0.000 1.681 162 R HN 0.353 nan 8.270 nan 0.000 0.537 163 T N -1.523 113.127 114.554 0.159 0.000 2.896 163 T HA 0.566 4.915 4.350 -0.001 0.000 0.297 163 T C -0.574 174.203 174.700 0.129 0.000 1.108 163 T CA -0.711 61.485 62.100 0.160 0.000 1.004 163 T CB 2.112 71.103 68.868 0.205 0.000 1.159 163 T HN 0.018 nan 8.240 nan 0.000 0.499 164 S N 3.344 119.104 115.700 0.101 0.000 2.442 164 S HA 0.592 5.061 4.470 -0.001 0.000 0.297 164 S C -2.495 172.146 174.600 0.068 0.000 1.131 164 S CA -1.093 57.153 58.200 0.077 0.000 1.092 164 S CB 0.875 64.101 63.200 0.043 0.000 0.998 164 S HN 0.689 nan 8.310 nan 0.000 0.478 165 P HA 0.487 nan 4.420 nan 0.000 0.282 165 P C -1.321 175.997 177.300 0.030 0.000 1.249 165 P CA -0.615 62.514 63.100 0.049 0.000 0.806 165 P CB 0.708 32.435 31.700 0.044 0.000 0.984 166 L N 2.413 123.651 121.223 0.026 0.000 2.354 166 L HA 0.591 4.930 4.340 -0.001 0.000 0.264 166 L C -0.312 176.574 176.870 0.028 0.000 1.008 166 L CA -0.792 54.068 54.840 0.033 0.000 0.819 166 L CB 1.723 43.809 42.059 0.046 0.000 1.339 166 L HN 0.221 nan 8.230 nan 0.000 0.420 167 L N 1.812 123.058 121.223 0.038 0.000 2.381 167 L HA 0.625 4.964 4.340 -0.001 0.000 0.274 167 L C -1.607 175.415 176.870 0.253 0.000 0.988 167 L CA -0.178 54.688 54.840 0.045 0.000 0.824 167 L CB 1.455 43.360 42.059 -0.256 0.000 1.263 167 L HN 0.452 nan 8.230 nan 0.000 0.410 168 F N 5.768 125.787 119.950 0.114 0.000 2.402 168 F HA 0.723 5.250 4.527 -0.000 0.000 0.355 168 F C -0.368 175.536 175.800 0.174 0.000 1.123 168 F CA -0.230 57.845 58.000 0.126 0.000 1.021 168 F CB 0.631 39.679 39.000 0.079 0.000 1.160 168 F HN 0.583 nan 8.300 nan 0.000 0.451 169 R N 4.999 125.303 120.500 -0.326 0.000 2.668 169 R HA 0.291 4.630 4.340 -0.001 0.000 0.272 169 R C 0.032 176.169 176.300 -0.273 0.000 1.019 169 R CA -0.329 55.685 56.100 -0.142 0.000 0.894 169 R CB 1.538 31.906 30.300 0.113 0.000 1.228 169 R HN 0.918 nan 8.270 nan 0.000 0.460 170 E N 0.701 120.803 120.200 -0.163 0.000 3.357 170 E HA -0.280 4.069 4.350 -0.001 0.000 0.416 170 E C 0.147 176.545 176.600 -0.337 0.000 1.565 170 E CA 1.990 58.298 56.400 -0.154 0.000 1.422 170 E CB -1.121 28.529 29.700 -0.083 0.000 1.536 170 E HN 0.793 nan 8.360 nan 0.000 0.459 171 G N 0.717 109.321 108.800 -0.327 0.000 4.144 171 G HA2 0.375 4.335 3.960 -0.001 0.000 0.297 171 G HA3 0.375 4.335 3.960 -0.001 0.000 0.297 171 G C -0.639 174.033 174.900 -0.380 0.000 1.090 171 G CA 0.249 45.141 45.100 -0.347 0.000 0.870 171 G HN 0.126 nan 8.290 nan 0.000 0.532 172 T N 1.074 115.257 114.554 -0.618 0.000 2.792 172 T HA 0.400 4.750 4.350 -0.001 0.000 0.280 172 T C -0.839 173.557 174.700 -0.507 0.000 0.990 172 T CA -0.418 61.386 62.100 -0.493 0.000 0.960 172 T CB 2.331 70.826 68.868 -0.623 0.000 0.939 172 T HN 0.075 nan 8.240 nan 0.000 0.439 173 L N 4.888 126.018 121.223 -0.155 0.000 2.283 173 L HA 0.438 4.777 4.340 -0.001 0.000 0.287 173 L C -1.331 175.444 176.870 -0.159 0.000 1.073 173 L CA -0.319 54.550 54.840 0.049 0.000 0.822 173 L CB -0.315 41.846 42.059 0.169 0.000 1.186 173 L HN 0.556 nan 8.230 nan 0.000 0.436 174 Y N 5.193 125.547 120.300 0.089 0.000 2.323 174 Y HA 0.490 5.039 4.550 -0.002 0.000 0.331 174 Y C -0.170 175.768 175.900 0.063 0.000 1.092 174 Y CA -0.617 57.545 58.100 0.103 0.000 1.150 174 Y CB 1.088 39.633 38.460 0.142 0.000 1.200 174 Y HN 0.371 nan 8.280 nan 0.000 0.472 175 L N 4.915 126.291 121.223 0.255 0.000 2.272 175 L HA 0.348 4.687 4.340 -0.001 0.000 0.289 175 L C -0.897 176.100 176.870 0.212 0.000 1.032 175 L CA -0.864 54.071 54.840 0.158 0.000 0.810 175 L CB 0.553 42.667 42.059 0.090 0.000 1.205 175 L HN 0.379 nan 8.230 nan 0.000 0.422 176 L N 3.725 125.041 121.223 0.155 0.000 2.410 176 L HA 0.174 4.513 4.340 -0.001 0.000 0.273 176 L C 0.589 177.547 176.870 0.146 0.000 1.144 176 L CA 0.599 55.563 54.840 0.207 0.000 0.863 176 L CB 0.266 42.394 42.059 0.115 0.000 1.140 176 L HN 0.554 nan 8.230 nan 0.000 0.463 177 E N 1.303 121.581 120.200 0.130 0.000 2.280 177 E HA 0.593 4.943 4.350 -0.001 0.000 0.264 177 E C 0.686 177.313 176.600 0.045 0.000 1.064 177 E CA 0.202 56.633 56.400 0.052 0.000 0.900 177 E CB 0.949 30.645 29.700 -0.007 0.000 1.123 177 E HN 0.749 nan 8.360 nan 0.000 0.418 178 G N 0.168 108.987 108.800 0.032 0.000 2.192 178 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.193 178 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.193 178 G C 0.250 175.189 174.900 0.064 0.000 0.999 178 G CA -0.282 44.847 45.100 0.049 0.000 0.659 178 G HN 0.808 nan 8.290 nan 0.000 0.503 179 G N -0.901 107.935 108.800 0.061 0.000 3.243 179 G HA2 0.714 4.673 3.960 -0.001 0.000 0.248 179 G HA3 0.714 4.673 3.960 -0.001 0.000 0.248 179 G C -0.552 174.372 174.900 0.041 0.000 1.267 179 G CA -0.320 44.830 45.100 0.083 0.000 0.906 179 G HN 0.962 nan 8.290 nan 0.000 0.592 180 L N 0.771 122.028 121.223 0.057 0.000 2.453 180 L HA 0.331 4.671 4.340 -0.001 0.000 0.272 180 L C 0.671 177.551 176.870 0.016 0.000 1.182 180 L CA -0.172 54.681 54.840 0.021 0.000 0.858 180 L CB 0.908 42.985 42.059 0.030 0.000 1.120 180 L HN 0.585 nan 8.230 nan 0.000 0.474 181 E N 3.688 123.890 120.200 0.003 0.000 2.029 181 E HA 0.257 4.606 4.350 -0.001 0.000 0.276 181 E C -0.052 176.533 176.600 -0.025 0.000 1.163 181 E CA -0.240 56.154 56.400 -0.011 0.000 0.909 181 E CB 0.241 29.930 29.700 -0.018 0.000 1.046 181 E HN 0.871 nan 8.360 nan 0.000 0.406 182 G N 3.950 112.730 108.800 -0.033 0.000 2.527 182 G HA2 0.104 4.064 3.960 -0.001 0.000 0.248 182 G HA3 0.104 4.064 3.960 -0.001 0.000 0.248 182 G C 0.907 175.732 174.900 -0.125 0.000 1.231 182 G CA -0.464 44.605 45.100 -0.052 0.000 0.838 182 G HN 0.682 nan 8.290 nan 0.000 0.570 183 I N 0.630 121.096 120.570 -0.174 0.000 2.202 183 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 183 I C 2.952 178.850 176.117 -0.365 0.000 1.091 183 I CA 1.413 62.531 61.300 -0.303 0.000 1.368 183 I CB -0.196 37.551 38.000 -0.422 0.000 1.058 183 I HN 0.511 nan 8.210 nan 0.000 0.410 184 T N 0.227 114.649 114.554 -0.219 0.000 2.708 184 T HA -0.243 4.106 4.350 -0.001 0.000 0.266 184 T C 1.986 176.498 174.700 -0.314 0.000 1.037 184 T CA 1.422 63.382 62.100 -0.233 0.000 1.146 184 T CB -0.356 68.531 68.868 0.032 0.000 0.865 184 T HN 0.291 nan 8.240 nan 0.000 0.435 185 R N 0.882 121.264 120.500 -0.197 0.000 2.096 185 R HA -0.116 4.223 4.340 -0.001 0.000 0.235 185 R C 2.333 178.515 176.300 -0.196 0.000 1.127 185 R CA 1.276 57.272 56.100 -0.174 0.000 0.968 185 R CB -0.056 30.194 30.300 -0.083 0.000 0.861 185 R HN 0.293 nan 8.270 nan 0.000 0.440 186 E N 0.630 120.706 120.200 -0.207 0.000 2.072 186 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 186 E C 1.869 178.333 176.600 -0.227 0.000 0.985 186 E CA 0.924 57.209 56.400 -0.191 0.000 0.801 186 E CB -0.023 29.566 29.700 -0.186 0.000 0.750 186 E HN 0.236 nan 8.360 nan 0.000 0.452 187 K N 0.679 120.866 120.400 -0.356 0.000 2.063 187 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 187 K C 2.322 178.810 176.600 -0.188 0.000 1.048 187 K CA 0.615 56.711 56.287 -0.318 0.000 0.928 187 K CB -0.776 31.372 32.500 -0.586 0.000 0.713 187 K HN 0.042 nan 8.250 nan 0.000 0.442 188 V N 1.609 121.259 119.914 -0.440 0.000 2.295 188 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 188 V C 2.510 178.538 176.094 -0.109 0.000 1.049 188 V CA 1.921 63.968 62.300 -0.421 0.000 1.024 188 V CB -0.849 30.669 31.823 -0.509 0.000 0.648 188 V HN 0.298 nan 8.190 nan 0.000 0.447 189 A N -0.186 122.569 122.820 -0.109 0.000 1.892 189 A HA -0.335 3.984 4.320 -0.001 0.000 0.218 189 A C 2.294 179.867 177.584 -0.017 0.000 1.188 189 A CA 2.344 54.352 52.037 -0.049 0.000 0.631 189 A CB -0.623 18.345 19.000 -0.053 0.000 0.822 189 A HN 0.680 nan 8.150 nan 0.000 0.447 190 E N -0.168 120.019 120.200 -0.021 0.000 2.058 190 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 190 E C 2.112 178.741 176.600 0.049 0.000 0.997 190 E CA 1.254 57.658 56.400 0.006 0.000 0.801 190 E CB -0.319 29.376 29.700 -0.009 0.000 0.746 190 E HN 0.522 nan 8.360 nan 0.000 0.450 191 A N 1.157 124.044 122.820 0.111 0.000 1.933 191 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 191 A C 2.407 180.048 177.584 0.095 0.000 1.175 191 A CA 1.764 53.889 52.037 0.147 0.000 0.628 191 A CB -0.759 18.435 19.000 0.324 0.000 0.814 191 A HN 0.445 nan 8.150 nan 0.000 0.444 192 A N -0.184 122.681 122.820 0.076 0.000 1.902 192 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 192 A C 2.246 179.851 177.584 0.035 0.000 1.181 192 A CA 1.530 53.596 52.037 0.047 0.000 0.623 192 A CB -0.471 18.550 19.000 0.035 0.000 0.818 192 A HN 0.542 nan 8.150 nan 0.000 0.443 193 R N -0.998 119.518 120.500 0.026 0.000 2.081 193 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 193 R C 2.344 178.655 176.300 0.019 0.000 1.131 193 R CA 1.127 57.237 56.100 0.017 0.000 0.960 193 R CB -0.655 29.649 30.300 0.008 0.000 0.856 193 R HN 0.542 nan 8.270 nan 0.000 0.436 194 G N 0.703 109.518 108.800 0.024 0.000 2.448 194 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 194 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 194 G C 1.276 176.187 174.900 0.018 0.000 1.127 194 G CA 0.351 45.464 45.100 0.021 0.000 0.766 194 G HN 0.182 nan 8.290 nan 0.000 0.552 195 L N 0.127 121.363 121.223 0.023 0.000 2.591 195 L HA 0.229 4.568 4.340 -0.001 0.000 0.228 195 L C 1.964 178.846 176.870 0.020 0.000 1.133 195 L CA 0.461 55.312 54.840 0.018 0.000 0.880 195 L CB -0.011 42.058 42.059 0.017 0.000 1.033 195 L HN 0.387 nan 8.230 nan 0.000 0.450 196 G N 0.583 109.395 108.800 0.020 0.000 2.136 196 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.242 196 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.242 196 G C 0.124 175.041 174.900 0.029 0.000 0.989 196 G CA -0.173 44.939 45.100 0.020 0.000 0.682 196 G HN 0.232 nan 8.290 nan 0.000 0.522 197 L N -0.146 121.101 121.223 0.039 0.000 2.375 197 L HA 0.553 4.892 4.340 -0.001 0.000 0.271 197 L C 1.231 178.118 176.870 0.028 0.000 1.107 197 L CA -0.902 53.975 54.840 0.062 0.000 0.806 197 L CB 0.982 43.106 42.059 0.107 0.000 1.146 197 L HN 0.187 nan 8.230 nan 0.000 0.447 198 R N 1.067 121.570 120.500 0.005 0.000 2.410 198 R HA 0.566 4.905 4.340 -0.001 0.000 0.288 198 R C -1.316 174.938 176.300 -0.076 0.000 1.051 198 R CA -0.399 55.676 56.100 -0.041 0.000 1.021 198 R CB 1.132 31.389 30.300 -0.072 0.000 1.032 198 R HN 0.388 nan 8.270 nan 0.000 0.481 199 V N 3.429 123.299 119.914 -0.073 0.000 2.588 199 V HA 0.401 4.521 4.120 -0.001 0.000 0.304 199 V C -0.601 175.449 176.094 -0.074 0.000 1.042 199 V CA -0.727 61.526 62.300 -0.079 0.000 0.877 199 V CB 1.877 33.683 31.823 -0.028 0.000 0.996 199 V HN 0.835 nan 8.190 nan 0.000 0.425 200 E N 2.781 122.931 120.200 -0.082 0.000 2.367 200 E HA 0.563 4.912 4.350 -0.001 0.000 0.273 200 E C -1.100 175.586 176.600 0.142 0.000 0.903 200 E CA -1.073 55.343 56.400 0.026 0.000 0.764 200 E CB 2.915 32.652 29.700 0.063 0.000 1.252 200 E HN 0.548 nan 8.360 nan 0.000 0.446 201 R N 0.516 121.093 120.500 0.128 0.000 2.410 201 R HA 0.626 4.966 4.340 -0.001 0.000 0.288 201 R C -0.063 176.335 176.300 0.163 0.000 1.051 201 R CA -0.531 55.659 56.100 0.151 0.000 1.021 201 R CB 1.327 31.665 30.300 0.065 0.000 1.032 201 R HN 0.557 nan 8.270 nan 0.000 0.481 202 G N 1.577 110.496 108.800 0.198 0.000 2.706 202 G HA2 0.409 4.369 3.960 -0.001 0.000 0.297 202 G HA3 0.409 4.369 3.960 -0.001 0.000 0.297 202 G C -1.887 172.903 174.900 -0.182 0.000 1.403 202 G CA -0.667 44.362 45.100 -0.118 0.000 0.954 202 G HN 0.291 nan 8.290 nan 0.000 0.500 203 L N 1.352 122.329 121.223 -0.410 0.000 2.260 203 L HA 0.705 5.044 4.340 -0.001 0.000 0.289 203 L C -1.163 175.401 176.870 -0.510 0.000 1.057 203 L CA -0.975 53.615 54.840 -0.418 0.000 0.811 203 L CB -0.083 41.610 42.059 -0.609 0.000 1.184 203 L HN 0.338 nan 8.230 nan 0.000 0.429 204 F N 4.071 123.936 119.950 -0.142 0.000 2.480 204 F HA 0.607 5.132 4.527 -0.002 0.000 0.329 204 F C 0.642 176.516 175.800 0.124 0.000 1.091 204 F CA -0.686 57.294 58.000 -0.032 0.000 0.972 204 F CB 1.399 40.367 39.000 -0.055 0.000 1.150 204 F HN 0.339 nan 8.300 nan 0.000 0.467 205 R N 2.488 123.163 120.500 0.292 0.000 2.596 205 R HA 0.316 4.655 4.340 -0.001 0.000 0.267 205 R C -1.849 174.541 176.300 0.150 0.000 1.026 205 R CA -1.637 54.587 56.100 0.207 0.000 1.087 205 R CB 0.471 30.843 30.300 0.119 0.000 1.132 205 R HN 0.285 nan 8.270 nan 0.000 0.531 206 P HA -0.166 nan 4.420 nan 0.000 0.216 206 P C 0.317 177.645 177.300 0.047 0.000 1.150 206 P CA 1.312 64.447 63.100 0.058 0.000 0.837 206 P CB 0.271 31.991 31.700 0.032 0.000 0.786 207 E N -0.709 119.517 120.200 0.044 0.000 2.160 207 E HA -0.096 4.253 4.350 -0.001 0.000 0.195 207 E C 2.082 178.707 176.600 0.042 0.000 0.991 207 E CA 1.540 57.959 56.400 0.031 0.000 0.810 207 E CB -1.273 28.441 29.700 0.024 0.000 0.742 207 E HN 0.269 nan 8.360 nan 0.000 0.466 208 G N -0.213 108.637 108.800 0.083 0.000 3.141 208 G HA2 0.063 4.022 3.960 -0.001 0.000 0.218 208 G HA3 0.063 4.022 3.960 -0.001 0.000 0.218 208 G C 0.361 175.325 174.900 0.107 0.000 1.170 208 G CA -0.338 44.832 45.100 0.117 0.000 0.769 208 G HN 0.128 nan 8.290 nan 0.000 0.546 209 L N 1.741 122.982 121.223 0.031 0.000 2.934 209 L HA 0.287 4.626 4.340 -0.001 0.000 0.233 209 L C 0.427 177.265 176.870 -0.053 0.000 1.358 209 L CA -0.285 54.515 54.840 -0.067 0.000 1.233 209 L CB -0.154 41.864 42.059 -0.069 0.000 1.594 209 L HN 0.089 nan 8.230 nan 0.000 0.439 210 R N 0.686 121.166 120.500 -0.034 0.000 2.265 210 R HA 0.637 4.976 4.340 -0.001 0.000 0.314 210 R C 0.522 176.804 176.300 -0.030 0.000 1.053 210 R CA 0.126 56.208 56.100 -0.030 0.000 0.931 210 R CB 1.351 31.645 30.300 -0.011 0.000 1.024 210 R HN 0.459 nan 8.270 nan 0.000 0.457 211 G N 1.381 110.152 108.800 -0.049 0.000 2.280 211 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.277 211 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.277 211 G C -1.397 173.457 174.900 -0.077 0.000 1.288 211 G CA -0.930 44.159 45.100 -0.019 0.000 1.075 211 G HN 0.616 nan 8.290 nan 0.000 0.480 212 H N 0.352 119.493 119.070 0.119 0.000 2.594 212 H HA 0.495 5.049 4.556 -0.002 0.000 0.304 212 H C 0.265 175.644 175.328 0.086 0.000 1.068 212 H CA -0.153 55.962 56.048 0.111 0.000 1.308 212 H CB 1.200 31.057 29.762 0.158 0.000 1.409 212 H HN 0.329 nan 8.280 nan 0.000 0.460 213 L N 4.478 125.772 121.223 0.117 0.000 2.371 213 L HA 0.212 4.551 4.340 -0.001 0.000 0.272 213 L C -0.461 176.463 176.870 0.090 0.000 1.124 213 L CA -0.357 54.527 54.840 0.073 0.000 0.816 213 L CB 0.630 42.706 42.059 0.028 0.000 1.129 213 L HN 0.315 nan 8.230 nan 0.000 0.448 214 L N 3.544 124.808 121.223 0.068 0.000 2.359 214 L HA 0.603 4.942 4.340 -0.001 0.000 0.256 214 L C -0.954 175.947 176.870 0.052 0.000 1.026 214 L CA -0.260 54.612 54.840 0.053 0.000 0.828 214 L CB 1.981 44.065 42.059 0.042 0.000 1.406 214 L HN 0.331 nan 8.230 nan 0.000 0.413 215 L N 1.210 122.467 121.223 0.055 0.000 2.385 215 L HA 0.925 5.264 4.340 -0.001 0.000 0.273 215 L C -0.581 176.339 176.870 0.083 0.000 0.990 215 L CA -0.733 54.158 54.840 0.085 0.000 0.821 215 L CB 1.930 44.072 42.059 0.139 0.000 1.279 215 L HN 0.706 nan 8.230 nan 0.000 0.412 216 A N 1.971 124.835 122.820 0.074 0.000 2.342 216 A HA 0.976 5.295 4.320 -0.001 0.000 0.323 216 A C -0.215 177.430 177.584 0.102 0.000 1.125 216 A CA -0.332 51.739 52.037 0.056 0.000 0.785 216 A CB 1.722 20.698 19.000 -0.041 0.000 1.221 216 A HN 0.804 nan 8.150 nan 0.000 0.463 217 G N -0.376 108.515 108.800 0.150 0.000 2.667 217 G HA2 0.447 4.406 3.960 -0.001 0.000 0.294 217 G HA3 0.447 4.406 3.960 -0.001 0.000 0.294 217 G C 0.385 175.430 174.900 0.241 0.000 1.467 217 G CA 0.252 45.463 45.100 0.186 0.000 0.852 217 G HN 0.620 nan 8.290 nan 0.000 0.521 218 S N -0.009 115.846 115.700 0.258 0.000 2.400 218 S HA -0.086 4.383 4.470 -0.001 0.000 0.232 218 S C 2.433 177.167 174.600 0.224 0.000 1.025 218 S CA 2.078 60.456 58.200 0.297 0.000 0.993 218 S CB -0.253 63.133 63.200 0.310 0.000 0.808 218 S HN 0.975 nan 8.310 nan 0.000 0.478 219 G N 1.426 110.375 108.800 0.247 0.000 2.454 219 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.214 219 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.214 219 G C 1.536 176.674 174.900 0.396 0.000 1.217 219 G CA 1.091 46.391 45.100 0.335 0.000 0.799 219 G HN 0.539 nan 8.290 nan 0.000 0.538 220 V N -1.067 119.068 119.914 0.368 0.000 3.041 220 V HA 0.428 4.547 4.120 -0.001 0.000 0.260 220 V C 1.763 178.109 176.094 0.419 0.000 1.105 220 V CA 0.759 63.304 62.300 0.409 0.000 1.125 220 V CB -1.112 30.902 31.823 0.319 0.000 0.730 220 V HN 1.340 nan 8.190 nan 0.000 0.479 221 G N 0.752 109.747 108.800 0.325 0.000 2.514 221 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.265 221 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.265 221 G C -0.601 174.459 174.900 0.266 0.000 1.150 221 G CA 0.207 45.499 45.100 0.320 0.000 0.959 221 G HN 0.933 nan 8.290 nan 0.000 0.556 222 L N 0.333 121.728 121.223 0.288 0.000 2.280 222 L HA 0.850 5.190 4.340 -0.001 0.000 0.287 222 L C -0.535 176.499 176.870 0.273 0.000 1.023 222 L CA -0.717 54.237 54.840 0.191 0.000 0.819 222 L CB 1.202 43.333 42.059 0.120 0.000 1.212 222 L HN 0.924 nan 8.230 nan 0.000 0.420 223 L N 8.867 130.170 121.223 0.133 0.000 2.343 223 L HA 0.764 5.103 4.340 -0.001 0.000 0.278 223 L C -2.517 174.321 176.870 -0.053 0.000 0.996 223 L CA -1.637 53.186 54.840 -0.028 0.000 0.831 223 L CB 1.801 43.731 42.059 -0.216 0.000 1.232 223 L HN 0.437 nan 8.230 nan 0.000 0.413 224 P HA 0.214 nan 4.420 nan 0.000 0.281 224 P C -1.115 176.163 177.300 -0.037 0.000 1.249 224 P CA -0.301 62.788 63.100 -0.019 0.000 0.810 224 P CB 1.611 33.311 31.700 -0.001 0.000 1.008 225 V N 4.889 124.814 119.914 0.019 0.000 2.370 225 V HA 0.373 4.492 4.120 -0.001 0.000 0.279 225 V C 0.420 176.540 176.094 0.044 0.000 1.029 225 V CA -0.363 61.950 62.300 0.021 0.000 0.870 225 V CB 0.080 31.927 31.823 0.040 0.000 0.984 225 V HN 0.675 nan 8.190 nan 0.000 0.451 226 R N 2.378 122.893 120.500 0.024 0.000 3.725 226 R HA -0.150 4.189 4.340 -0.001 0.000 0.547 226 R C -2.873 173.467 176.300 0.066 0.000 0.243 226 R CA -0.387 55.737 56.100 0.040 0.000 1.697 226 R CB -1.717 28.609 30.300 0.044 0.000 1.020 226 R HN 0.466 nan 8.270 nan 0.000 0.560 227 P HA 0.102 nan 4.420 nan 0.000 0.266 227 P C -1.970 175.393 177.300 0.106 0.000 1.195 227 P CA -0.465 62.675 63.100 0.067 0.000 0.768 227 P CB 0.272 32.009 31.700 0.062 0.000 0.838 228 P HA 0.307 nan 4.420 nan 0.000 0.278 228 P C -2.624 174.479 177.300 -0.329 0.000 1.258 228 P CA -2.097 60.938 63.100 -0.109 0.000 0.811 228 P CB -0.371 31.278 31.700 -0.085 0.000 1.063 229 P HA 0.274 nan 4.420 nan 0.000 0.281 229 P C -2.059 175.052 177.300 -0.314 0.000 1.249 229 P CA -2.059 60.684 63.100 -0.596 0.000 0.810 229 P CB -0.026 31.266 31.700 -0.679 0.000 1.008 230 P HA -0.142 nan 4.420 nan 0.000 0.218 230 P C 1.062 178.274 177.300 -0.147 0.000 1.148 230 P CA 1.453 64.480 63.100 -0.121 0.000 0.822 230 P CB 0.101 31.767 31.700 -0.057 0.000 0.784 231 E N -0.439 119.643 120.200 -0.196 0.000 2.204 231 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 231 E C 1.850 178.285 176.600 -0.275 0.000 0.990 231 E CA 0.780 57.057 56.400 -0.205 0.000 0.821 231 E CB -0.659 28.925 29.700 -0.192 0.000 0.750 231 E HN 0.286 nan 8.360 nan 0.000 0.477 232 L N 0.096 121.100 121.223 -0.365 0.000 2.567 232 L HA 0.112 4.451 4.340 -0.001 0.000 0.225 232 L C 1.692 178.479 176.870 -0.139 0.000 1.119 232 L CA -0.034 54.631 54.840 -0.292 0.000 0.871 232 L CB -0.164 41.663 42.059 -0.387 0.000 1.036 232 L HN 0.168 nan 8.230 nan 0.000 0.459 233 L N 0.704 121.855 121.223 -0.120 0.000 2.021 233 L HA -0.202 4.137 4.340 -0.001 0.000 0.215 233 L C -0.142 176.706 176.870 -0.037 0.000 1.074 233 L CA 1.754 56.555 54.840 -0.064 0.000 0.760 233 L CB -2.003 40.020 42.059 -0.061 0.000 0.889 233 L HN 0.268 nan 8.230 nan 0.000 0.433 234 P HA -0.152 nan 4.420 nan 0.000 0.220 234 P C 1.874 179.177 177.300 0.006 0.000 1.148 234 P CA 1.302 64.386 63.100 -0.026 0.000 0.803 234 P CB 0.077 31.761 31.700 -0.028 0.000 0.782 235 L N -1.460 119.791 121.223 0.047 0.000 2.095 235 L HA -0.062 4.278 4.340 -0.001 0.000 0.204 235 L C 2.421 179.452 176.870 0.268 0.000 1.080 235 L CA 1.046 56.000 54.840 0.191 0.000 0.759 235 L CB -0.780 41.377 42.059 0.163 0.000 0.914 235 L HN -0.103 nan 8.230 nan 0.000 0.439 236 I N 0.155 120.809 120.570 0.140 0.000 2.194 236 I HA -0.330 3.839 4.170 -0.001 0.000 0.246 236 I C 2.610 178.768 176.117 0.069 0.000 1.093 236 I CA 1.672 63.058 61.300 0.143 0.000 1.355 236 I CB -0.368 37.693 38.000 0.103 0.000 1.046 236 I HN 0.415 nan 8.210 nan 0.000 0.413 237 E N 1.523 121.727 120.200 0.007 0.000 2.072 237 E HA -0.255 4.094 4.350 -0.001 0.000 0.190 237 E C 2.393 178.931 176.600 -0.102 0.000 0.982 237 E CA 0.821 57.186 56.400 -0.059 0.000 0.803 237 E CB -0.026 29.638 29.700 -0.060 0.000 0.755 237 E HN 0.310 nan 8.360 nan 0.000 0.453 238 R N -0.594 119.825 120.500 -0.135 0.000 2.103 238 R HA -0.154 4.186 4.340 -0.001 0.000 0.242 238 R C 1.378 177.394 176.300 -0.474 0.000 1.142 238 R CA 1.856 57.742 56.100 -0.356 0.000 0.960 238 R CB -0.206 29.788 30.300 -0.511 0.000 0.858 238 R HN 0.205 nan 8.270 nan 0.000 0.439 239 F N 0.063 120.022 119.950 0.015 0.000 2.695 239 F HA 0.236 4.762 4.527 -0.002 0.000 0.303 239 F C 0.523 176.303 175.800 -0.033 0.000 1.091 239 F CA -0.468 57.561 58.000 0.049 0.000 1.300 239 F CB 0.221 39.300 39.000 0.132 0.000 1.071 239 F HN -0.041 nan 8.300 nan 0.000 0.578 240 L N 3.226 124.431 121.223 -0.029 0.000 2.462 240 L HA 0.195 4.534 4.340 -0.001 0.000 0.272 240 L C -2.091 174.703 176.870 -0.127 0.000 1.166 240 L CA -1.707 52.991 54.840 -0.237 0.000 0.880 240 L CB 0.414 42.245 42.059 -0.380 0.000 1.142 240 L HN -0.175 nan 8.230 nan 0.000 0.473 241 P HA -0.030 nan 4.420 nan 0.000 0.261 241 P C -0.821 176.454 177.300 -0.042 0.000 1.183 241 P CA 0.025 63.075 63.100 -0.083 0.000 0.761 241 P CB 0.670 32.343 31.700 -0.045 0.000 0.785 242 A N 2.865 125.614 122.820 -0.119 0.000 3.051 242 A HA 0.167 4.487 4.320 -0.001 0.000 0.257 242 A C 0.442 177.963 177.584 -0.106 0.000 1.785 242 A CA -0.056 51.936 52.037 -0.075 0.000 1.420 242 A CB -1.195 17.739 19.000 -0.109 0.000 1.063 242 A HN 0.619 nan 8.150 nan 0.000 0.630 243 c N -0.847 117.674 118.600 -0.132 0.000 3.101 243 c HA 0.358 4.927 4.570 -0.001 0.000 0.253 243 c C 0.496 174.324 174.090 -0.437 0.000 1.754 243 c CA -0.282 55.886 56.329 -0.268 0.000 1.756 243 c CB -1.808 40.539 42.510 -0.271 0.000 3.227 243 c HN 0.842 nan 8.230 nan 0.000 0.483 244 Y N 0.553 120.857 120.300 0.006 0.000 2.452 244 Y HA 0.350 4.899 4.550 -0.001 0.000 0.262 244 Y C 1.828 177.730 175.900 0.003 0.000 1.089 244 Y CA 0.788 58.897 58.100 0.014 0.000 1.262 244 Y CB -0.289 38.174 38.460 0.005 0.000 1.236 244 Y HN 0.280 nan 8.280 nan 0.000 0.512 245 T N 0.000 114.621 114.554 0.111 0.000 3.816 245 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 245 T CA 0.000 62.136 62.100 0.061 0.000 1.349 245 T CB 0.000 68.889 68.868 0.034 0.000 0.612 245 T HN 0.000 nan 8.240 nan 0.000 0.658