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 2vpy_1_G DATA FIRST_RESID 1 DATA SEQUENCE AEFYGLPNAQ EFWHWTNALH FVLVGLAGGV ALLAALLHLK GDAEARRYTL DATA SEQUENCE YALMLIALDL FILWAESPAR FRFTHIWLFL SFHPTSPIWW GAWGLGLGFL DATA SEQUENCE TGGLLYLGKG SQRALAWALL VFSLVALSYP GLALAVNLNR PLWNGLMAGL DATA SEQUENCE FPLTALVLAL GLAALLKSPW ALFPLRVLAG ASLLLALLYP LTLPPEARGH DATA SEQUENCE LLEEAGFWYG LFLLLGLGTF WQERLAPWAG LLAAAGLRAL LVLAGQWQGL DATA SEQUENCE G 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.320 177.584 -0.440 0.000 1.274 1 A CA 0.000 51.860 52.037 -0.296 0.000 0.836 1 A CB 0.000 18.909 19.000 -0.152 0.000 0.831 2 E N -0.521 119.328 120.200 -0.585 0.000 2.227 2 E HA 0.701 5.051 4.350 0.000 0.000 0.268 2 E C -1.659 174.431 176.600 -0.849 0.000 0.907 2 E CA -0.313 55.775 56.400 -0.521 0.000 0.786 2 E CB 1.778 31.280 29.700 -0.330 0.000 1.191 2 E HN 0.293 nan 8.360 nan 0.000 0.411 3 F N 0.300 120.111 119.950 -0.231 0.000 2.611 3 F HA 0.424 4.951 4.527 -0.000 0.000 0.324 3 F C -0.562 175.003 175.800 -0.391 0.000 1.061 3 F CA -0.891 56.971 58.000 -0.231 0.000 0.954 3 F CB 1.389 40.331 39.000 -0.097 0.000 1.301 3 F HN 0.322 nan 8.300 nan 0.000 0.482 4 Y N 0.885 121.307 120.300 0.202 0.000 2.345 4 Y HA 0.546 5.096 4.550 0.000 0.000 0.331 4 Y C 0.608 176.583 175.900 0.124 0.000 0.959 4 Y CA -0.254 57.916 58.100 0.117 0.000 1.204 4 Y CB 1.388 39.888 38.460 0.067 0.000 1.135 4 Y HN 0.896 nan 8.280 nan 0.000 0.477 5 G N 2.432 111.365 108.800 0.222 0.000 2.568 5 G HA2 -0.161 3.799 3.960 0.000 0.000 0.222 5 G HA3 -0.161 3.799 3.960 0.000 0.000 0.222 5 G C -1.680 173.248 174.900 0.047 0.000 1.321 5 G CA -0.744 44.427 45.100 0.118 0.000 0.893 5 G HN 0.626 nan 8.290 nan 0.000 0.569 6 L N 0.445 121.636 121.223 -0.053 0.000 2.556 6 L HA 0.497 4.837 4.340 0.000 0.000 0.257 6 L C -2.108 174.611 176.870 -0.251 0.000 0.955 6 L CA -1.665 53.023 54.840 -0.254 0.000 0.850 6 L CB 2.464 44.393 42.059 -0.217 0.000 1.398 6 L HN 0.709 nan 8.230 nan 0.000 0.412 7 P HA 0.168 nan 4.420 nan 0.000 0.275 7 P C -0.994 176.203 177.300 -0.172 0.000 1.228 7 P CA -0.420 62.537 63.100 -0.239 0.000 0.786 7 P CB 0.534 32.067 31.700 -0.278 0.000 0.927 8 N N 0.834 119.471 118.700 -0.104 0.000 3.103 8 N HA 0.249 4.989 4.740 0.000 0.000 0.305 8 N C 0.663 176.142 175.510 -0.051 0.000 1.232 8 N CA -0.181 52.829 53.050 -0.066 0.000 1.190 8 N CB -0.230 38.227 38.487 -0.050 0.000 1.461 8 N HN 0.410 nan 8.380 nan 0.000 0.538 9 A N 0.924 123.706 122.820 -0.063 0.000 2.507 9 A HA 0.076 4.396 4.320 0.000 0.000 0.270 9 A C 0.264 177.854 177.584 0.010 0.000 1.318 9 A CA -0.414 51.604 52.037 -0.031 0.000 0.924 9 A CB 0.033 18.994 19.000 -0.065 0.000 1.061 9 A HN 0.425 nan 8.150 nan 0.000 0.516 10 Q N 0.686 120.499 119.800 0.022 0.000 2.373 10 Q HA 0.328 4.668 4.340 0.000 0.000 0.255 10 Q C 0.120 176.144 176.000 0.041 0.000 0.980 10 Q CA -0.309 55.518 55.803 0.040 0.000 0.882 10 Q CB 0.504 29.273 28.738 0.052 0.000 1.249 10 Q HN 0.510 nan 8.270 nan 0.000 0.438 11 E N 1.313 121.507 120.200 -0.009 0.000 2.568 11 E HA -0.130 4.220 4.350 0.000 0.000 0.262 11 E C -0.627 175.828 176.600 -0.241 0.000 0.961 11 E CA 0.071 56.359 56.400 -0.186 0.000 0.945 11 E CB 0.332 29.994 29.700 -0.064 0.000 0.924 11 E HN 0.707 nan 8.360 nan 0.000 0.467 12 F N 2.683 122.472 119.950 -0.270 0.000 2.712 12 F HA 0.389 4.916 4.527 0.000 0.000 0.297 12 F C -0.119 175.432 175.800 -0.416 0.000 1.114 12 F CA -0.955 56.828 58.000 -0.362 0.000 1.305 12 F CB 0.297 39.056 39.000 -0.401 0.000 1.086 12 F HN 0.180 nan 8.300 nan 0.000 0.599 13 W N 3.962 124.927 121.300 -0.559 0.000 2.393 13 W HA 0.394 5.054 4.660 0.000 0.000 0.315 13 W C -0.142 176.127 176.519 -0.417 0.000 1.009 13 W CA -1.530 55.623 57.345 -0.320 0.000 1.313 13 W CB 0.014 29.451 29.460 -0.038 0.000 1.269 13 W HN 0.005 nan 8.180 nan 0.000 0.420 14 H N 1.950 121.103 119.070 0.139 0.000 2.437 14 H HA 0.038 4.594 4.556 0.000 0.000 0.338 14 H C 1.703 177.036 175.328 0.009 0.000 1.495 14 H CA -0.290 55.785 56.048 0.045 0.000 1.453 14 H CB 0.489 30.233 29.762 -0.029 0.000 1.707 14 H HN 0.626 nan 8.280 nan 0.000 0.655 15 W N 0.718 122.141 121.300 0.205 0.000 2.336 15 W HA -0.189 4.471 4.660 0.000 0.000 0.277 15 W C 0.153 176.744 176.519 0.120 0.000 1.211 15 W CA 1.573 58.989 57.345 0.119 0.000 1.187 15 W CB -1.403 28.102 29.460 0.075 0.000 1.132 15 W HN 0.270 nan 8.180 nan 0.000 0.562 16 T N 0.923 114.943 114.554 -0.889 0.000 3.014 16 T HA -0.116 4.234 4.350 0.000 0.000 0.263 16 T C 1.222 175.777 174.700 -0.241 0.000 1.078 16 T CA 1.430 62.996 62.100 -0.889 0.000 1.135 16 T CB -0.358 67.908 68.868 -1.004 0.000 0.895 16 T HN 0.194 nan 8.240 nan 0.000 0.480 17 N N 0.298 118.948 118.700 -0.083 0.000 2.336 17 N HA 0.286 5.026 4.740 0.000 0.000 0.189 17 N C 1.585 177.216 175.510 0.201 0.000 1.113 17 N CA 0.256 53.353 53.050 0.079 0.000 0.858 17 N CB 0.107 38.619 38.487 0.042 0.000 0.970 17 N HN 0.336 nan 8.380 nan 0.000 0.471 18 A N -0.320 122.578 122.820 0.130 0.000 2.063 18 A HA 0.161 4.481 4.320 0.000 0.000 0.211 18 A C 1.845 179.535 177.584 0.178 0.000 1.177 18 A CA 0.127 52.245 52.037 0.135 0.000 0.759 18 A CB -0.186 18.888 19.000 0.124 0.000 0.857 18 A HN 0.312 nan 8.150 nan 0.000 0.468 19 L N -0.865 120.459 121.223 0.168 0.000 2.131 19 L HA -0.097 4.243 4.340 0.000 0.000 0.206 19 L C 2.542 179.499 176.870 0.145 0.000 1.087 19 L CA 1.963 56.906 54.840 0.171 0.000 0.767 19 L CB -0.285 41.899 42.059 0.208 0.000 0.917 19 L HN 0.701 nan 8.230 nan 0.000 0.441 20 H N -0.998 118.111 119.070 0.066 0.000 2.389 20 H HA -0.211 4.345 4.556 0.000 0.000 0.299 20 H C 1.807 177.136 175.328 0.001 0.000 1.081 20 H CA 1.889 57.946 56.048 0.016 0.000 1.345 20 H CB -0.430 29.307 29.762 -0.042 0.000 1.393 20 H HN 0.300 nan 8.280 nan 0.000 0.520 21 F N 0.061 119.764 119.950 -0.412 0.000 2.161 21 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 21 F C 2.546 178.207 175.800 -0.232 0.000 1.089 21 F CA 1.377 59.129 58.000 -0.412 0.000 1.282 21 F CB -0.404 38.505 39.000 -0.152 0.000 1.010 21 F HN 0.118 nan 8.300 nan 0.000 0.485 22 V N -0.805 119.125 119.914 0.027 0.000 2.379 22 V HA -0.245 3.875 4.120 0.000 0.000 0.245 22 V C 2.208 178.278 176.094 -0.040 0.000 1.044 22 V CA 1.205 63.498 62.300 -0.011 0.000 1.036 22 V CB -0.560 31.267 31.823 0.007 0.000 0.664 22 V HN 0.170 nan 8.190 nan 0.000 0.453 23 L N -0.405 120.802 121.223 -0.026 0.000 2.141 23 L HA -0.040 4.300 4.340 0.000 0.000 0.209 23 L C 2.296 179.154 176.870 -0.020 0.000 1.094 23 L CA 1.418 56.259 54.840 0.002 0.000 0.763 23 L CB -0.587 41.511 42.059 0.065 0.000 0.908 23 L HN 0.204 nan 8.230 nan 0.000 0.437 24 V N -0.794 119.049 119.914 -0.118 0.000 3.217 24 V HA 0.000 4.120 4.120 0.000 0.000 0.264 24 V C 2.111 178.156 176.094 -0.082 0.000 1.135 24 V CA 1.192 63.439 62.300 -0.089 0.000 1.142 24 V CB -0.191 31.521 31.823 -0.184 0.000 0.754 24 V HN 0.498 nan 8.190 nan 0.000 0.484 25 G N -0.314 108.429 108.800 -0.096 0.000 2.424 25 G HA2 -0.160 3.800 3.960 0.000 0.000 0.214 25 G HA3 -0.160 3.800 3.960 0.000 0.000 0.214 25 G C 1.450 176.337 174.900 -0.022 0.000 1.202 25 G CA 0.940 46.004 45.100 -0.061 0.000 0.793 25 G HN 0.444 nan 8.290 nan 0.000 0.534 26 L N 0.834 122.047 121.223 -0.016 0.000 1.971 26 L HA -0.189 4.151 4.340 0.000 0.000 0.215 26 L C 3.476 180.372 176.870 0.043 0.000 1.072 26 L CA 1.485 56.331 54.840 0.010 0.000 0.758 26 L CB -0.456 41.606 42.059 0.006 0.000 0.889 26 L HN 0.323 nan 8.230 nan 0.000 0.433 27 A N -0.220 122.632 122.820 0.053 0.000 1.927 27 A HA -0.233 4.087 4.320 0.000 0.000 0.220 27 A C 2.281 179.922 177.584 0.095 0.000 1.185 27 A CA 2.170 54.258 52.037 0.086 0.000 0.639 27 A CB -1.323 17.736 19.000 0.098 0.000 0.820 27 A HN 0.551 nan 8.150 nan 0.000 0.451 28 G N -1.388 107.460 108.800 0.080 0.000 2.430 28 G HA2 0.179 4.139 3.960 0.000 0.000 0.216 28 G HA3 0.179 4.139 3.960 0.000 0.000 0.216 28 G C 1.453 176.394 174.900 0.068 0.000 1.146 28 G CA 1.114 46.268 45.100 0.089 0.000 0.793 28 G HN 0.710 nan 8.290 nan 0.000 0.537 29 G N 0.517 109.347 108.800 0.050 0.000 2.402 29 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 29 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 29 G C 1.721 176.655 174.900 0.058 0.000 1.162 29 G CA 1.144 46.267 45.100 0.039 0.000 0.777 29 G HN 0.276 nan 8.290 nan 0.000 0.539 30 V N 1.498 121.468 119.914 0.095 0.000 2.379 30 V HA -0.056 4.064 4.120 0.000 0.000 0.245 30 V C 3.306 179.475 176.094 0.125 0.000 1.044 30 V CA 1.809 64.204 62.300 0.158 0.000 1.036 30 V CB -0.656 31.292 31.823 0.208 0.000 0.664 30 V HN 0.447 nan 8.190 nan 0.000 0.453 31 A N -0.293 122.585 122.820 0.097 0.000 2.024 31 A HA -0.212 4.108 4.320 0.000 0.000 0.220 31 A C 2.143 179.738 177.584 0.020 0.000 1.164 31 A CA 2.079 54.156 52.037 0.066 0.000 0.643 31 A CB -0.483 18.572 19.000 0.091 0.000 0.806 31 A HN 0.473 nan 8.150 nan 0.000 0.451 32 L N -0.406 120.826 121.223 0.015 0.000 2.072 32 L HA -0.023 4.317 4.340 0.000 0.000 0.205 32 L C 2.277 179.093 176.870 -0.089 0.000 1.079 32 L CA 1.415 56.235 54.840 -0.032 0.000 0.752 32 L CB -0.405 41.641 42.059 -0.022 0.000 0.906 32 L HN 0.395 nan 8.230 nan 0.000 0.436 33 L N -0.409 120.767 121.223 -0.079 0.000 1.990 33 L HA -0.279 4.061 4.340 0.000 0.000 0.213 33 L C 2.745 179.509 176.870 -0.177 0.000 1.072 33 L CA 1.516 56.247 54.840 -0.181 0.000 0.755 33 L CB -1.223 40.762 42.059 -0.123 0.000 0.889 33 L HN 0.417 nan 8.230 nan 0.000 0.432 34 A N 0.144 122.933 122.820 -0.051 0.000 1.869 34 A HA -0.309 4.011 4.320 0.000 0.000 0.218 34 A C 2.515 179.977 177.584 -0.203 0.000 1.203 34 A CA 2.558 54.557 52.037 -0.063 0.000 0.638 34 A CB -0.996 17.976 19.000 -0.047 0.000 0.831 34 A HN 0.474 nan 8.150 nan 0.000 0.450 35 A N -0.616 122.075 122.820 -0.216 0.000 1.877 35 A HA -0.026 4.294 4.320 0.000 0.000 0.216 35 A C 2.214 179.664 177.584 -0.223 0.000 1.186 35 A CA 1.540 53.428 52.037 -0.247 0.000 0.620 35 A CB -0.674 18.200 19.000 -0.210 0.000 0.822 35 A HN 0.498 nan 8.150 nan 0.000 0.443 36 L N -0.652 120.434 121.223 -0.229 0.000 2.042 36 L HA -0.206 4.134 4.340 0.000 0.000 0.210 36 L C 2.538 179.275 176.870 -0.222 0.000 1.076 36 L CA 1.199 55.888 54.840 -0.251 0.000 0.749 36 L CB -0.630 41.272 42.059 -0.263 0.000 0.893 36 L HN 0.372 nan 8.230 nan 0.000 0.432 37 L N -1.522 119.577 121.223 -0.206 0.000 2.131 37 L HA -0.222 4.118 4.340 0.000 0.000 0.210 37 L C 2.485 179.358 176.870 0.006 0.000 1.092 37 L CA 0.963 55.720 54.840 -0.138 0.000 0.759 37 L CB -0.674 41.333 42.059 -0.087 0.000 0.903 37 L HN 0.352 nan 8.230 nan 0.000 0.435 38 H N -0.716 118.271 119.070 -0.138 0.000 2.368 38 H HA -0.168 4.388 4.556 0.000 0.000 0.303 38 H C 2.154 177.389 175.328 -0.155 0.000 1.043 38 H CA 1.009 56.984 56.048 -0.122 0.000 1.238 38 H CB 0.045 29.728 29.762 -0.131 0.000 1.417 38 H HN 0.034 nan 8.280 nan 0.000 0.548 39 L N 1.203 122.371 121.223 -0.092 0.000 2.186 39 L HA -0.296 4.044 4.340 0.000 0.000 0.221 39 L C 2.228 179.025 176.870 -0.122 0.000 1.087 39 L CA 1.910 56.626 54.840 -0.208 0.000 0.794 39 L CB -0.776 41.033 42.059 -0.415 0.000 0.893 39 L HN 0.337 nan 8.230 nan 0.000 0.442 40 K N -1.148 119.183 120.400 -0.114 0.000 2.418 40 K HA 0.103 4.423 4.320 0.000 0.000 0.195 40 K C 1.413 177.976 176.600 -0.062 0.000 1.035 40 K CA 0.918 57.152 56.287 -0.089 0.000 1.003 40 K CB 0.013 32.438 32.500 -0.125 0.000 0.793 40 K HN 0.338 nan 8.250 nan 0.000 0.494 41 G N 0.755 109.517 108.800 -0.064 0.000 2.205 41 G HA2 -0.300 3.660 3.960 0.000 0.000 0.261 41 G HA3 -0.300 3.660 3.960 0.000 0.000 0.261 41 G C -0.218 174.660 174.900 -0.038 0.000 0.980 41 G CA 0.303 45.368 45.100 -0.058 0.000 0.632 41 G HN 0.565 nan 8.290 nan 0.000 0.533 42 D N 0.863 121.250 120.400 -0.022 0.000 2.583 42 D HA 0.276 4.916 4.640 0.000 0.000 0.232 42 D C 1.845 178.173 176.300 0.047 0.000 1.128 42 D CA 0.727 54.739 54.000 0.021 0.000 0.859 42 D CB 0.773 41.590 40.800 0.028 0.000 1.169 42 D HN 0.531 nan 8.370 nan 0.000 0.481 43 A N 4.701 127.557 122.820 0.060 0.000 1.997 43 A HA -0.231 4.089 4.320 0.000 0.000 0.221 43 A C 1.745 179.390 177.584 0.101 0.000 1.172 43 A CA 1.489 53.563 52.037 0.061 0.000 0.645 43 A CB -0.238 18.799 19.000 0.062 0.000 0.813 43 A HN 0.769 nan 8.150 nan 0.000 0.454 44 E N -0.331 119.972 120.200 0.172 0.000 2.481 44 E HA 0.153 4.503 4.350 0.000 0.000 0.195 44 E C 1.920 178.694 176.600 0.290 0.000 1.047 44 E CA 0.362 56.921 56.400 0.264 0.000 0.867 44 E CB -0.212 29.749 29.700 0.435 0.000 0.858 44 E HN 0.635 nan 8.360 nan 0.000 0.513 45 A N 1.697 124.648 122.820 0.219 0.000 2.139 45 A HA -0.212 4.108 4.320 0.000 0.000 0.221 45 A C 2.028 179.797 177.584 0.308 0.000 1.159 45 A CA 1.173 53.384 52.037 0.290 0.000 0.662 45 A CB -0.220 18.964 19.000 0.308 0.000 0.796 45 A HN 0.076 nan 8.150 nan 0.000 0.463 46 R N -1.540 119.080 120.500 0.200 0.000 2.123 46 R HA 0.089 4.429 4.340 0.000 0.000 0.209 46 R C 2.361 178.712 176.300 0.085 0.000 1.078 46 R CA 0.686 56.889 56.100 0.173 0.000 1.028 46 R CB -0.391 29.954 30.300 0.075 0.000 0.939 46 R HN 0.595 nan 8.270 nan 0.000 0.463 47 R N 0.298 120.786 120.500 -0.021 0.000 2.082 47 R HA -0.171 4.169 4.340 0.000 0.000 0.234 47 R C 1.829 177.699 176.300 -0.717 0.000 1.136 47 R CA 1.813 57.715 56.100 -0.329 0.000 0.935 47 R CB -0.294 29.892 30.300 -0.190 0.000 0.842 47 R HN 0.170 nan 8.270 nan 0.000 0.430 48 Y N 0.035 120.196 120.300 -0.231 0.000 2.421 48 Y HA -0.094 4.456 4.550 0.000 0.000 0.292 48 Y C 2.476 178.327 175.900 -0.081 0.000 1.136 48 Y CA 1.535 59.588 58.100 -0.079 0.000 1.255 48 Y CB 0.005 38.556 38.460 0.151 0.000 0.991 48 Y HN 0.158 nan 8.280 nan 0.000 0.552 49 T N 0.049 114.616 114.554 0.023 0.000 2.857 49 T HA -0.070 4.280 4.350 0.000 0.000 0.266 49 T C 0.656 175.281 174.700 -0.124 0.000 1.048 49 T CA 0.533 62.618 62.100 -0.024 0.000 1.139 49 T CB -0.307 68.572 68.868 0.018 0.000 0.874 49 T HN 0.085 nan 8.240 nan 0.000 0.455 50 L N 1.375 122.450 121.223 -0.246 0.000 2.315 50 L HA 0.348 4.688 4.340 0.000 0.000 0.278 50 L C -0.436 176.233 176.870 -0.335 0.000 1.088 50 L CA -0.107 54.484 54.840 -0.415 0.000 0.899 50 L CB -0.111 41.522 42.059 -0.710 0.000 1.277 50 L HN 0.312 nan 8.230 nan 0.000 0.431 51 Y N 1.641 121.876 120.300 -0.107 0.000 2.851 51 Y HA -0.078 4.472 4.550 0.000 0.000 0.240 51 Y C 1.929 177.819 175.900 -0.016 0.000 0.956 51 Y CA -0.073 57.984 58.100 -0.071 0.000 1.410 51 Y CB -0.295 38.114 38.460 -0.086 0.000 1.348 51 Y HN 0.455 nan 8.280 nan 0.000 0.453 52 A N 1.028 123.967 122.820 0.199 0.000 1.978 52 A HA -0.158 4.162 4.320 0.000 0.000 0.220 52 A C 1.756 179.414 177.584 0.122 0.000 1.170 52 A CA 1.785 53.908 52.037 0.143 0.000 0.636 52 A CB -0.782 18.284 19.000 0.110 0.000 0.810 52 A HN 0.464 nan 8.150 nan 0.000 0.448 53 L N -1.910 119.349 121.223 0.059 0.000 2.240 53 L HA -0.085 4.255 4.340 0.000 0.000 0.211 53 L C 2.688 179.715 176.870 0.261 0.000 1.106 53 L CA 0.968 55.872 54.840 0.107 0.000 0.793 53 L CB -0.354 41.583 42.059 -0.202 0.000 0.927 53 L HN 0.402 nan 8.230 nan 0.000 0.446 54 M N -0.739 118.941 119.600 0.133 0.000 2.160 54 M HA -0.114 4.366 4.480 0.000 0.000 0.264 54 M C 2.199 178.556 176.300 0.095 0.000 1.073 54 M CA 1.547 56.907 55.300 0.102 0.000 1.142 54 M CB -0.197 32.444 32.600 0.069 0.000 1.358 54 M HN 0.107 nan 8.290 nan 0.000 0.422 55 L N -0.037 121.247 121.223 0.102 0.000 2.042 55 L HA -0.228 4.112 4.340 0.000 0.000 0.210 55 L C 2.358 179.289 176.870 0.103 0.000 1.076 55 L CA 1.309 56.203 54.840 0.088 0.000 0.749 55 L CB -0.673 41.437 42.059 0.086 0.000 0.893 55 L HN 0.311 nan 8.230 nan 0.000 0.432 56 I N -0.157 120.495 120.570 0.137 0.000 2.142 56 I HA -0.291 3.879 4.170 0.000 0.000 0.240 56 I C 2.800 178.947 176.117 0.049 0.000 1.078 56 I CA 1.290 62.671 61.300 0.135 0.000 1.343 56 I CB -0.455 37.689 38.000 0.241 0.000 1.046 56 I HN 0.204 nan 8.210 nan 0.000 0.405 57 A N 0.528 123.363 122.820 0.025 0.000 1.933 57 A HA -0.205 4.115 4.320 0.000 0.000 0.218 57 A C 2.221 179.800 177.584 -0.009 0.000 1.175 57 A CA 1.384 53.354 52.037 -0.111 0.000 0.628 57 A CB -0.721 18.209 19.000 -0.118 0.000 0.814 57 A HN 0.394 nan 8.150 nan 0.000 0.444 58 L N 0.488 121.738 121.223 0.046 0.000 2.046 58 L HA -0.154 4.186 4.340 0.000 0.000 0.208 58 L C 1.870 178.842 176.870 0.170 0.000 1.077 58 L CA 2.836 57.735 54.840 0.098 0.000 0.747 58 L CB -0.931 41.177 42.059 0.081 0.000 0.896 58 L HN 0.491 nan 8.230 nan 0.000 0.432 59 D N -0.781 119.696 120.400 0.130 0.000 2.097 59 D HA -0.215 4.425 4.640 0.000 0.000 0.195 59 D C 2.169 178.529 176.300 0.100 0.000 0.989 59 D CA 1.593 55.683 54.000 0.150 0.000 0.827 59 D CB -0.194 40.706 40.800 0.166 0.000 0.966 59 D HN 0.422 nan 8.370 nan 0.000 0.456 60 L N -0.455 120.797 121.223 0.049 0.000 2.353 60 L HA -0.060 4.280 4.340 0.000 0.000 0.220 60 L C 1.961 178.855 176.870 0.041 0.000 1.133 60 L CA 0.379 55.212 54.840 -0.012 0.000 0.798 60 L CB -0.357 41.640 42.059 -0.104 0.000 0.922 60 L HN 0.149 nan 8.230 nan 0.000 0.445 61 F N 0.361 120.287 119.950 -0.041 0.000 2.147 61 F HA -0.030 4.497 4.527 0.000 0.000 0.291 61 F C 2.213 178.102 175.800 0.149 0.000 1.093 61 F CA 1.045 59.064 58.000 0.031 0.000 1.263 61 F CB -0.059 38.938 39.000 -0.004 0.000 1.036 61 F HN -0.167 nan 8.300 nan 0.000 0.481 62 I N 0.451 121.077 120.570 0.093 0.000 2.335 62 I HA -0.317 3.853 4.170 0.000 0.000 0.251 62 I C 2.293 178.326 176.117 -0.141 0.000 1.129 62 I CA 1.205 62.483 61.300 -0.038 0.000 1.402 62 I CB -0.484 37.576 38.000 0.099 0.000 1.069 62 I HN 0.263 nan 8.210 nan 0.000 0.424 63 L N -0.844 120.300 121.223 -0.132 0.000 2.141 63 L HA -0.207 4.133 4.340 0.000 0.000 0.209 63 L C 2.356 179.149 176.870 -0.129 0.000 1.094 63 L CA 1.477 56.187 54.840 -0.216 0.000 0.763 63 L CB -0.395 41.531 42.059 -0.222 0.000 0.908 63 L HN 0.507 nan 8.230 nan 0.000 0.437 64 W N -0.175 120.906 121.300 -0.365 0.000 2.588 64 W HA 0.095 4.755 4.660 -0.000 0.000 0.277 64 W C 2.332 178.591 176.519 -0.432 0.000 1.221 64 W CA 0.757 57.839 57.345 -0.439 0.000 1.355 64 W CB -0.029 29.134 29.460 -0.495 0.000 1.083 64 W HN -0.009 nan 8.180 nan 0.000 0.581 65 A N 1.159 123.678 122.820 -0.502 0.000 1.883 65 A HA -0.287 4.033 4.320 0.000 0.000 0.217 65 A C 2.011 179.216 177.584 -0.632 0.000 1.186 65 A CA 2.045 53.587 52.037 -0.826 0.000 0.624 65 A CB -1.111 17.487 19.000 -0.669 0.000 0.822 65 A HN 0.530 nan 8.150 nan 0.000 0.444 66 E N 0.511 120.460 120.200 -0.419 0.000 2.481 66 E HA -0.007 4.343 4.350 0.000 0.000 0.195 66 E C 0.438 176.879 176.600 -0.265 0.000 1.047 66 E CA 0.662 56.874 56.400 -0.314 0.000 0.867 66 E CB -0.244 29.305 29.700 -0.251 0.000 0.858 66 E HN 0.364 nan 8.360 nan 0.000 0.513 67 S N 1.752 117.263 115.700 -0.316 0.000 2.474 67 S HA 0.218 4.688 4.470 0.000 0.000 0.276 67 S C -1.906 172.529 174.600 -0.275 0.000 1.227 67 S CA -1.441 56.636 58.200 -0.204 0.000 1.050 67 S CB 1.355 64.515 63.200 -0.066 0.000 0.939 67 S HN -0.067 nan 8.310 nan 0.000 0.490 68 P HA 0.082 nan 4.420 nan 0.000 0.231 68 P C 0.433 177.621 177.300 -0.186 0.000 1.158 68 P CA 0.564 63.560 63.100 -0.173 0.000 0.763 68 P CB 0.098 31.752 31.700 -0.078 0.000 0.805 69 A N -0.132 122.594 122.820 -0.158 0.000 2.423 69 A HA 0.053 4.373 4.320 0.000 0.000 0.246 69 A C 2.140 179.652 177.584 -0.120 0.000 1.278 69 A CA -0.279 51.691 52.037 -0.110 0.000 0.903 69 A CB -0.776 18.185 19.000 -0.065 0.000 0.997 69 A HN 0.121 nan 8.150 nan 0.000 0.510 70 R N -0.038 120.238 120.500 -0.374 0.000 2.082 70 R HA -0.134 4.206 4.340 0.000 0.000 0.234 70 R C 0.690 176.795 176.300 -0.324 0.000 1.136 70 R CA 1.976 57.708 56.100 -0.614 0.000 0.935 70 R CB -0.791 28.538 30.300 -1.618 0.000 0.842 70 R HN 0.429 nan 8.270 nan 0.000 0.430 71 F N 0.740 120.528 119.950 -0.271 0.000 2.695 71 F HA 0.274 4.801 4.527 -0.000 0.000 0.301 71 F C 1.814 177.120 175.800 -0.823 0.000 1.182 71 F CA -0.312 57.395 58.000 -0.489 0.000 1.412 71 F CB 0.263 39.134 39.000 -0.215 0.000 1.056 71 F HN -0.009 nan 8.300 nan 0.000 0.522 72 R N -0.405 119.790 120.500 -0.508 0.000 2.446 72 R HA 0.127 4.467 4.340 0.000 0.000 0.254 72 R C -0.113 176.050 176.300 -0.227 0.000 0.918 72 R CA -0.296 55.602 56.100 -0.337 0.000 1.069 72 R CB 0.106 30.339 30.300 -0.110 0.000 1.194 72 R HN 0.215 nan 8.270 nan 0.000 0.534 73 F N 1.578 121.686 119.950 0.262 0.000 2.594 73 F HA -0.250 4.277 4.527 -0.000 0.000 0.208 73 F C 0.917 176.883 175.800 0.276 0.000 1.032 73 F CA 0.659 58.831 58.000 0.286 0.000 0.877 73 F CB -1.670 37.459 39.000 0.215 0.000 0.814 73 F HN 0.073 nan 8.300 nan 0.000 0.844 74 T N -4.695 110.096 114.554 0.395 0.000 3.054 74 T HA 0.070 4.420 4.350 0.000 0.000 0.255 74 T C 1.093 176.003 174.700 0.350 0.000 1.035 74 T CA 0.364 62.683 62.100 0.364 0.000 0.941 74 T CB -0.104 68.880 68.868 0.193 0.000 1.026 74 T HN 0.561 nan 8.240 nan 0.000 0.533 75 H N 1.016 120.245 119.070 0.264 0.000 2.518 75 H HA 0.250 4.806 4.556 0.000 0.000 0.289 75 H C 1.938 177.372 175.328 0.176 0.000 1.051 75 H CA 0.663 56.833 56.048 0.203 0.000 1.280 75 H CB -0.395 29.478 29.762 0.185 0.000 1.380 75 H HN 0.332 nan 8.280 nan 0.000 0.566 76 I N -0.301 120.396 120.570 0.212 0.000 2.399 76 I HA -0.296 3.874 4.170 0.000 0.000 0.254 76 I C 1.130 177.226 176.117 -0.034 0.000 1.146 76 I CA 1.274 62.587 61.300 0.020 0.000 1.412 76 I CB -0.050 37.840 38.000 -0.184 0.000 1.076 76 I HN 0.299 nan 8.210 nan 0.000 0.432 77 W N -0.667 120.709 121.300 0.128 0.000 2.595 77 W HA -0.082 4.578 4.660 0.000 0.000 0.257 77 W C 2.052 178.630 176.519 0.100 0.000 1.267 77 W CA -0.231 57.186 57.345 0.120 0.000 1.300 77 W CB -0.273 29.242 29.460 0.092 0.000 1.120 77 W HN 0.135 nan 8.180 nan 0.000 0.618 78 L N -1.045 120.265 121.223 0.146 0.000 2.191 78 L HA -0.078 4.262 4.340 0.000 0.000 0.212 78 L C 1.135 177.642 176.870 -0.603 0.000 1.103 78 L CA 1.757 56.460 54.840 -0.229 0.000 0.769 78 L CB -0.656 41.110 42.059 -0.488 0.000 0.908 78 L HN -0.040 nan 8.230 nan 0.000 0.438 79 F N -1.975 117.910 119.950 -0.108 0.000 2.654 79 F HA 0.262 4.789 4.527 0.000 0.000 0.303 79 F C 0.942 176.866 175.800 0.207 0.000 1.099 79 F CA -0.041 57.806 58.000 -0.254 0.000 1.270 79 F CB 0.206 38.854 39.000 -0.587 0.000 1.024 79 F HN -0.160 nan 8.300 nan 0.000 0.548 80 L N -0.943 120.520 121.223 0.399 0.000 3.267 80 L HA 0.383 4.723 4.340 0.000 0.000 0.289 80 L C -0.250 176.898 176.870 0.464 0.000 1.260 80 L CA 0.019 55.073 54.840 0.357 0.000 1.034 80 L CB 0.014 42.131 42.059 0.097 0.000 1.413 80 L HN -0.130 nan 8.230 nan 0.000 0.594 81 S N -0.147 115.901 115.700 0.580 0.000 2.579 81 S HA 0.567 5.037 4.470 0.000 0.000 0.272 81 S C -1.389 173.486 174.600 0.458 0.000 1.141 81 S CA -0.443 58.024 58.200 0.445 0.000 0.843 81 S CB 2.640 66.165 63.200 0.541 0.000 1.122 81 S HN 0.086 nan 8.310 nan 0.000 0.468 82 F N 3.286 123.079 119.950 -0.261 0.000 2.388 82 F HA 0.504 5.031 4.527 -0.000 0.000 0.358 82 F C -0.116 174.922 175.800 -1.270 0.000 1.122 82 F CA -0.460 57.240 58.000 -0.500 0.000 1.056 82 F CB 0.496 39.290 39.000 -0.344 0.000 1.155 82 F HN 0.632 nan 8.300 nan 0.000 0.461 83 H N 7.485 125.258 119.070 -2.161 0.000 2.597 83 H HA 0.189 4.745 4.556 0.000 0.000 0.225 83 H C -2.044 172.277 175.328 -1.679 0.000 1.422 83 H CA -1.211 53.851 56.048 -1.644 0.000 1.335 83 H CB 0.547 29.694 29.762 -1.024 0.000 1.783 83 H HN 0.441 nan 8.280 nan 0.000 0.513 84 P HA -0.155 nan 4.420 nan 0.000 0.220 84 P C 1.381 178.742 177.300 0.101 0.000 1.144 84 P CA 1.313 64.027 63.100 -0.643 0.000 0.800 84 P CB -0.099 31.233 31.700 -0.614 0.000 0.772 85 T N -4.449 110.059 114.554 -0.077 0.000 3.113 85 T HA 0.043 4.393 4.350 0.000 0.000 0.256 85 T C 1.080 175.854 174.700 0.123 0.000 1.131 85 T CA 0.024 62.152 62.100 0.047 0.000 1.074 85 T CB -0.516 68.345 68.868 -0.012 0.000 0.944 85 T HN 0.037 nan 8.240 nan 0.000 0.516 86 S N 2.291 118.094 115.700 0.172 0.000 2.434 86 S HA 0.394 4.864 4.470 0.000 0.000 0.318 86 S C -1.753 173.096 174.600 0.414 0.000 1.062 86 S CA -1.744 56.598 58.200 0.237 0.000 1.116 86 S CB 0.993 64.286 63.200 0.155 0.000 0.977 86 S HN -0.038 nan 8.310 nan 0.000 0.480 87 P HA -0.208 nan 4.420 nan 0.000 0.219 87 P C 1.460 178.999 177.300 0.399 0.000 1.161 87 P CA 1.444 64.773 63.100 0.382 0.000 0.909 87 P CB 0.012 31.884 31.700 0.286 0.000 0.793 88 I N -2.928 117.819 120.570 0.296 0.000 2.264 88 I HA -0.235 3.935 4.170 0.000 0.000 0.248 88 I C 2.351 178.461 176.117 -0.012 0.000 1.111 88 I CA 1.558 62.920 61.300 0.102 0.000 1.382 88 I CB -0.984 37.098 38.000 0.138 0.000 1.060 88 I HN 0.123 nan 8.210 nan 0.000 0.418 89 W N 1.255 122.541 121.300 -0.022 0.000 2.355 89 W HA -0.215 4.445 4.660 0.000 0.000 0.309 89 W C 2.244 178.768 176.519 0.008 0.000 1.206 89 W CA 1.232 58.556 57.345 -0.036 0.000 1.284 89 W CB -0.662 28.801 29.460 0.004 0.000 1.145 89 W HN 0.032 nan 8.180 nan 0.000 0.502 90 W N 0.174 121.641 121.300 0.279 0.000 2.387 90 W HA -0.045 4.615 4.660 -0.000 0.000 0.272 90 W C 2.487 178.918 176.519 -0.146 0.000 1.224 90 W CA 1.713 59.142 57.345 0.139 0.000 1.210 90 W CB -0.838 28.761 29.460 0.231 0.000 1.125 90 W HN 0.058 nan 8.180 nan 0.000 0.572 91 G N -1.179 107.403 108.800 -0.362 0.000 2.744 91 G HA2 0.105 4.065 3.960 0.000 0.000 0.211 91 G HA3 0.105 4.065 3.960 0.000 0.000 0.211 91 G C 1.524 176.135 174.900 -0.482 0.000 1.146 91 G CA 0.582 45.149 45.100 -0.889 0.000 0.787 91 G HN 0.231 nan 8.290 nan 0.000 0.534 92 A N 0.411 122.958 122.820 -0.456 0.000 1.874 92 A HA 0.104 4.424 4.320 0.000 0.000 0.214 92 A C 2.057 179.421 177.584 -0.367 0.000 1.189 92 A CA 0.998 52.737 52.037 -0.498 0.000 0.615 92 A CB -0.507 17.935 19.000 -0.930 0.000 0.830 92 A HN 0.444 nan 8.150 nan 0.000 0.443 93 W N -0.260 120.780 121.300 -0.432 0.000 2.453 93 W HA 0.158 4.818 4.660 0.000 0.000 0.289 93 W C 2.455 178.863 176.519 -0.185 0.000 1.215 93 W CA 0.749 57.929 57.345 -0.275 0.000 1.297 93 W CB -0.441 28.689 29.460 -0.550 0.000 1.113 93 W HN 0.358 nan 8.180 nan 0.000 0.551 94 G N 0.275 109.161 108.800 0.144 0.000 2.422 94 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 94 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 94 G C 1.398 176.378 174.900 0.133 0.000 1.140 94 G CA 0.733 45.965 45.100 0.219 0.000 0.775 94 G HN 0.205 nan 8.290 nan 0.000 0.545 95 L N 0.320 121.585 121.223 0.070 0.000 2.477 95 L HA 0.256 4.596 4.340 0.000 0.000 0.220 95 L C 2.862 179.757 176.870 0.042 0.000 1.106 95 L CA 0.576 55.464 54.840 0.080 0.000 0.851 95 L CB 0.129 42.230 42.059 0.070 0.000 0.994 95 L HN 0.270 nan 8.230 nan 0.000 0.462 96 G N -0.225 108.569 108.800 -0.010 0.000 2.417 96 G HA2 -0.088 3.872 3.960 0.000 0.000 0.212 96 G HA3 -0.088 3.872 3.960 0.000 0.000 0.212 96 G C 1.488 176.326 174.900 -0.103 0.000 1.187 96 G CA 0.089 45.137 45.100 -0.088 0.000 0.804 96 G HN 0.135 nan 8.290 nan 0.000 0.534 97 L N 1.051 122.143 121.223 -0.217 0.000 2.201 97 L HA 0.041 4.381 4.340 0.000 0.000 0.212 97 L C 3.027 179.619 176.870 -0.462 0.000 1.105 97 L CA 0.835 55.386 54.840 -0.481 0.000 0.775 97 L CB -0.500 40.910 42.059 -1.081 0.000 0.913 97 L HN 0.350 nan 8.230 nan 0.000 0.440 98 G N -0.703 107.940 108.800 -0.260 0.000 2.471 98 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 98 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 98 G C 1.388 176.350 174.900 0.103 0.000 1.125 98 G CA 0.146 45.289 45.100 0.072 0.000 0.775 98 G HN 0.225 nan 8.290 nan 0.000 0.548 99 F N 0.867 120.777 119.950 -0.066 0.000 2.123 99 F HA 0.221 4.748 4.527 -0.000 0.000 0.289 99 F C 2.510 178.278 175.800 -0.053 0.000 1.099 99 F CA 0.642 58.606 58.000 -0.059 0.000 1.234 99 F CB -0.328 38.616 39.000 -0.093 0.000 1.034 99 F HN -0.041 nan 8.300 nan 0.000 0.479 100 L N -0.279 120.970 121.223 0.043 0.000 1.963 100 L HA -0.340 4.000 4.340 0.000 0.000 0.220 100 L C 2.324 179.160 176.870 -0.056 0.000 1.076 100 L CA 2.301 57.125 54.840 -0.027 0.000 0.772 100 L CB -1.602 40.453 42.059 -0.006 0.000 0.892 100 L HN 0.172 nan 8.230 nan 0.000 0.435 101 T N -0.209 114.349 114.554 0.006 0.000 2.680 101 T HA -0.227 4.123 4.350 0.000 0.000 0.268 101 T C 1.587 176.293 174.700 0.010 0.000 1.033 101 T CA 1.652 63.796 62.100 0.074 0.000 1.152 101 T CB -0.617 68.388 68.868 0.228 0.000 0.859 101 T HN 0.640 nan 8.240 nan 0.000 0.452 102 G N -0.096 108.660 108.800 -0.074 0.000 2.650 102 G HA2 0.185 4.145 3.960 0.000 0.000 0.214 102 G HA3 0.185 4.145 3.960 0.000 0.000 0.214 102 G C 1.487 176.282 174.900 -0.175 0.000 1.136 102 G CA 0.766 45.787 45.100 -0.132 0.000 0.789 102 G HN 0.577 nan 8.290 nan 0.000 0.536 103 G N 1.112 109.771 108.800 -0.235 0.000 2.439 103 G HA2 -0.057 3.903 3.960 0.000 0.000 0.212 103 G HA3 -0.057 3.903 3.960 0.000 0.000 0.212 103 G C 1.590 176.472 174.900 -0.030 0.000 1.199 103 G CA 0.166 45.154 45.100 -0.188 0.000 0.807 103 G HN 0.350 nan 8.290 nan 0.000 0.537 104 L N 0.247 121.459 121.223 -0.019 0.000 2.551 104 L HA 0.064 4.404 4.340 0.000 0.000 0.230 104 L C 2.403 179.301 176.870 0.046 0.000 1.163 104 L CA 0.254 55.106 54.840 0.019 0.000 0.826 104 L CB -0.220 41.857 42.059 0.029 0.000 0.943 104 L HN 0.199 nan 8.230 nan 0.000 0.452 105 L N -2.559 118.705 121.223 0.069 0.000 2.470 105 L HA -0.066 4.274 4.340 0.000 0.000 0.219 105 L C 2.172 179.132 176.870 0.150 0.000 1.071 105 L CA 0.239 55.161 54.840 0.136 0.000 0.850 105 L CB -0.051 42.123 42.059 0.191 0.000 1.040 105 L HN 0.139 nan 8.230 nan 0.000 0.475 106 Y N -0.036 120.257 120.300 -0.011 0.000 2.448 106 Y HA 0.041 4.590 4.550 -0.000 0.000 0.289 106 Y C 1.385 177.267 175.900 -0.031 0.000 1.114 106 Y CA 0.634 58.719 58.100 -0.024 0.000 1.235 106 Y CB 0.470 38.886 38.460 -0.074 0.000 1.045 106 Y HN -0.011 nan 8.280 nan 0.000 0.554 107 L N 1.042 122.279 121.223 0.023 0.000 2.888 107 L HA 0.300 4.640 4.340 0.000 0.000 0.237 107 L C 1.862 178.696 176.870 -0.060 0.000 1.288 107 L CA 0.488 55.305 54.840 -0.038 0.000 1.110 107 L CB -0.780 41.291 42.059 0.020 0.000 1.441 107 L HN 0.417 nan 8.230 nan 0.000 0.474 108 G N -0.337 108.410 108.800 -0.088 0.000 2.359 108 G HA2 -0.426 3.534 3.960 0.000 0.000 0.311 108 G HA3 -0.426 3.534 3.960 0.000 0.000 0.311 108 G C 1.195 176.073 174.900 -0.037 0.000 1.025 108 G CA 1.488 46.547 45.100 -0.069 0.000 0.694 108 G HN 0.416 nan 8.290 nan 0.000 0.542 109 K N -2.011 118.377 120.400 -0.021 0.000 2.720 109 K HA 0.590 4.910 4.320 0.000 0.000 0.281 109 K C 1.858 178.462 176.600 0.007 0.000 1.019 109 K CA 0.483 56.764 56.287 -0.010 0.000 1.088 109 K CB 0.111 32.604 32.500 -0.012 0.000 1.449 109 K HN 0.688 nan 8.250 nan 0.000 0.542 110 G N -0.294 108.510 108.800 0.007 0.000 5.260 110 G HA2 -0.296 3.664 3.960 0.000 0.000 0.276 110 G HA3 -0.296 3.664 3.960 0.000 0.000 0.276 110 G C -0.222 174.692 174.900 0.022 0.000 1.357 110 G CA 0.703 45.813 45.100 0.018 0.000 1.008 110 G HN 0.635 nan 8.290 nan 0.000 0.777 111 S N -0.648 115.069 115.700 0.028 0.000 2.567 111 S HA 0.613 5.083 4.470 0.000 0.000 0.270 111 S C -1.076 173.546 174.600 0.036 0.000 1.152 111 S CA -0.562 57.658 58.200 0.034 0.000 0.835 111 S CB 2.046 65.276 63.200 0.050 0.000 1.115 111 S HN 0.769 nan 8.310 nan 0.000 0.459 112 Q N 0.676 120.494 119.800 0.030 0.000 2.399 112 Q HA 0.534 4.874 4.340 0.000 0.000 0.276 112 Q C -0.133 175.892 176.000 0.042 0.000 1.098 112 Q CA -1.000 54.814 55.803 0.018 0.000 0.827 112 Q CB 1.149 29.875 28.738 -0.020 0.000 1.386 112 Q HN 0.655 nan 8.270 nan 0.000 0.443 113 R N 0.338 120.858 120.500 0.034 0.000 3.490 113 R HA -0.320 4.020 4.340 0.000 0.000 0.243 113 R C -0.352 176.034 176.300 0.143 0.000 1.017 113 R CA 1.061 57.187 56.100 0.043 0.000 0.680 113 R CB -1.114 29.182 30.300 -0.008 0.000 1.056 113 R HN 0.782 nan 8.270 nan 0.000 0.484 114 A N -1.115 121.808 122.820 0.173 0.000 2.263 114 A HA 0.236 4.556 4.320 0.000 0.000 0.200 114 A C 1.703 179.423 177.584 0.226 0.000 1.428 114 A CA -0.292 51.904 52.037 0.266 0.000 1.050 114 A CB 0.373 19.470 19.000 0.162 0.000 1.226 114 A HN 0.251 nan 8.150 nan 0.000 0.501 115 L N -0.365 120.948 121.223 0.151 0.000 2.341 115 L HA 0.042 4.382 4.340 0.000 0.000 0.214 115 L C 2.690 179.622 176.870 0.103 0.000 1.115 115 L CA 0.935 55.857 54.840 0.136 0.000 0.820 115 L CB -0.094 42.038 42.059 0.121 0.000 0.944 115 L HN 0.426 nan 8.230 nan 0.000 0.452 116 A N -1.074 121.778 122.820 0.053 0.000 2.119 116 A HA -0.162 4.158 4.320 0.000 0.000 0.217 116 A C 1.781 179.220 177.584 -0.242 0.000 1.153 116 A CA 0.595 52.583 52.037 -0.081 0.000 0.692 116 A CB -0.593 18.351 19.000 -0.093 0.000 0.799 116 A HN 0.517 nan 8.150 nan 0.000 0.458 117 W N -0.470 120.836 121.300 0.011 0.000 2.453 117 W HA 0.090 4.750 4.660 0.000 0.000 0.289 117 W C 2.618 179.082 176.519 -0.091 0.000 1.215 117 W CA 0.932 58.258 57.345 -0.032 0.000 1.297 117 W CB 0.103 29.547 29.460 -0.027 0.000 1.113 117 W HN 0.348 nan 8.180 nan 0.000 0.551 118 A N -0.268 122.621 122.820 0.116 0.000 1.929 118 A HA -0.138 4.182 4.320 0.000 0.000 0.216 118 A C 1.833 179.336 177.584 -0.135 0.000 1.176 118 A CA 1.244 53.224 52.037 -0.095 0.000 0.628 118 A CB -0.864 18.192 19.000 0.093 0.000 0.816 118 A HN 0.250 nan 8.150 nan 0.000 0.444 119 L N -0.770 120.479 121.223 0.043 0.000 2.141 119 L HA -0.055 4.285 4.340 0.000 0.000 0.209 119 L C 2.183 179.064 176.870 0.017 0.000 1.094 119 L CA 1.655 56.548 54.840 0.090 0.000 0.763 119 L CB -0.501 41.558 42.059 -0.001 0.000 0.908 119 L HN 0.368 nan 8.230 nan 0.000 0.437 120 L N -1.693 119.496 121.223 -0.057 0.000 2.027 120 L HA -0.138 4.202 4.340 0.000 0.000 0.206 120 L C 2.339 179.205 176.870 -0.008 0.000 1.074 120 L CA 1.546 56.356 54.840 -0.050 0.000 0.745 120 L CB -0.422 41.583 42.059 -0.091 0.000 0.898 120 L HN 0.068 nan 8.230 nan 0.000 0.433 121 V N -0.469 119.403 119.914 -0.070 0.000 2.261 121 V HA -0.317 3.803 4.120 0.000 0.000 0.246 121 V C 2.287 178.342 176.094 -0.066 0.000 1.047 121 V CA 2.383 64.611 62.300 -0.121 0.000 1.015 121 V CB -0.708 30.945 31.823 -0.282 0.000 0.642 121 V HN 0.403 nan 8.190 nan 0.000 0.446 122 F N 0.983 121.019 119.950 0.144 0.000 2.202 122 F HA -0.222 4.305 4.527 -0.000 0.000 0.301 122 F C 2.766 178.648 175.800 0.138 0.000 1.082 122 F CA 1.345 59.438 58.000 0.156 0.000 1.313 122 F CB -0.589 38.497 39.000 0.145 0.000 1.024 122 F HN 0.314 nan 8.300 nan 0.000 0.495 123 S N 0.659 116.500 115.700 0.235 0.000 2.402 123 S HA -0.136 4.334 4.470 0.000 0.000 0.229 123 S C 1.881 176.567 174.600 0.142 0.000 1.021 123 S CA 0.808 59.109 58.200 0.167 0.000 0.974 123 S CB -0.787 62.469 63.200 0.095 0.000 0.800 123 S HN 0.426 nan 8.310 nan 0.000 0.484 124 L N 0.951 122.244 121.223 0.117 0.000 2.056 124 L HA -0.029 4.311 4.340 0.000 0.000 0.207 124 L C 2.755 179.704 176.870 0.131 0.000 1.078 124 L CA 0.983 55.880 54.840 0.094 0.000 0.749 124 L CB -0.653 41.444 42.059 0.063 0.000 0.901 124 L HN 0.249 nan 8.230 nan 0.000 0.433 125 V N 0.202 120.235 119.914 0.198 0.000 2.332 125 V HA -0.304 3.816 4.120 0.000 0.000 0.248 125 V C 2.665 178.947 176.094 0.314 0.000 1.055 125 V CA 1.913 64.374 62.300 0.268 0.000 1.038 125 V CB -0.789 31.294 31.823 0.433 0.000 0.651 125 V HN 0.500 nan 8.190 nan 0.000 0.450 126 A N -1.111 121.892 122.820 0.304 0.000 2.119 126 A HA -0.013 4.307 4.320 0.000 0.000 0.217 126 A C 2.124 179.841 177.584 0.222 0.000 1.153 126 A CA 1.210 53.450 52.037 0.338 0.000 0.692 126 A CB -0.325 18.831 19.000 0.261 0.000 0.799 126 A HN 0.522 nan 8.150 nan 0.000 0.458 127 L N -1.267 120.041 121.223 0.142 0.000 2.416 127 L HA 0.026 4.366 4.340 0.000 0.000 0.216 127 L C 2.415 179.305 176.870 0.033 0.000 1.098 127 L CA 0.768 55.645 54.840 0.062 0.000 0.840 127 L CB 0.133 42.225 42.059 0.056 0.000 0.981 127 L HN 0.281 nan 8.230 nan 0.000 0.462 128 S N -1.144 114.594 115.700 0.064 0.000 2.441 128 S HA -0.111 4.359 4.470 0.000 0.000 0.224 128 S C 1.786 176.395 174.600 0.015 0.000 1.043 128 S CA 0.429 58.650 58.200 0.035 0.000 0.948 128 S CB -0.144 63.073 63.200 0.030 0.000 0.810 128 S HN 0.517 nan 8.310 nan 0.000 0.504 129 Y N 3.728 124.027 120.300 -0.002 0.000 2.181 129 Y HA 0.111 4.661 4.550 0.000 0.000 0.288 129 Y C -2.144 173.707 175.900 -0.082 0.000 1.146 129 Y CA 0.158 58.254 58.100 -0.007 0.000 1.164 129 Y CB -1.792 36.716 38.460 0.080 0.000 0.982 129 Y HN 0.127 nan 8.280 nan 0.000 0.515 130 P HA 0.354 nan 4.420 nan 0.000 0.292 130 P C 0.605 177.600 177.300 -0.507 0.000 1.287 130 P CA 0.984 63.541 63.100 -0.905 0.000 0.800 130 P CB 1.776 32.770 31.700 -1.175 0.000 0.945 131 G N 2.525 110.976 108.800 -0.582 0.000 3.031 131 G HA2 -0.216 3.744 3.960 0.000 0.000 0.198 131 G HA3 -0.216 3.744 3.960 0.000 0.000 0.198 131 G C 0.748 175.487 174.900 -0.269 0.000 1.242 131 G CA -0.046 44.768 45.100 -0.476 0.000 0.878 131 G HN 0.438 nan 8.290 nan 0.000 0.493 132 L N 1.511 122.638 121.223 -0.161 0.000 2.375 132 L HA 0.402 4.742 4.340 0.000 0.000 0.215 132 L C 3.112 179.971 176.870 -0.019 0.000 1.108 132 L CA 1.220 56.026 54.840 -0.057 0.000 0.830 132 L CB -0.125 41.927 42.059 -0.012 0.000 0.959 132 L HN 0.450 nan 8.230 nan 0.000 0.457 133 A N 0.025 122.817 122.820 -0.047 0.000 2.066 133 A HA -0.049 4.271 4.320 0.000 0.000 0.218 133 A C 2.114 179.721 177.584 0.038 0.000 1.157 133 A CA 1.077 53.153 52.037 0.064 0.000 0.670 133 A CB -0.260 18.785 19.000 0.075 0.000 0.804 133 A HN 0.368 nan 8.150 nan 0.000 0.453 134 L N -1.589 119.513 121.223 -0.200 0.000 2.189 134 L HA 0.085 4.425 4.340 0.000 0.000 0.199 134 L C 2.860 179.729 176.870 -0.002 0.000 1.074 134 L CA 0.833 55.417 54.840 -0.427 0.000 0.783 134 L CB -0.660 40.729 42.059 -1.117 0.000 0.955 134 L HN 0.294 nan 8.230 nan 0.000 0.460 135 A N -0.349 122.465 122.820 -0.010 0.000 2.125 135 A HA -0.111 4.209 4.320 0.000 0.000 0.219 135 A C 2.283 179.944 177.584 0.129 0.000 1.156 135 A CA 1.112 53.218 52.037 0.115 0.000 0.671 135 A CB -0.644 18.397 19.000 0.069 0.000 0.794 135 A HN 0.201 nan 8.150 nan 0.000 0.459 136 V N 0.515 120.496 119.914 0.111 0.000 2.809 136 V HA -0.118 4.002 4.120 0.000 0.000 0.256 136 V C 0.282 176.450 176.094 0.124 0.000 1.080 136 V CA 1.234 63.598 62.300 0.105 0.000 1.102 136 V CB -0.826 31.056 31.823 0.099 0.000 0.705 136 V HN 0.683 nan 8.190 nan 0.000 0.475 137 N N 0.668 119.480 118.700 0.187 0.000 2.663 137 N HA 0.241 4.981 4.740 0.000 0.000 0.250 137 N C 0.557 176.163 175.510 0.160 0.000 1.129 137 N CA -0.134 53.024 53.050 0.180 0.000 0.995 137 N CB 0.774 39.430 38.487 0.282 0.000 1.324 137 N HN 0.303 nan 8.380 nan 0.000 0.512 138 L N 1.327 122.607 121.223 0.094 0.000 2.549 138 L HA -0.117 4.223 4.340 0.000 0.000 0.229 138 L C 1.389 178.276 176.870 0.028 0.000 1.158 138 L CA 0.810 55.692 54.840 0.071 0.000 0.842 138 L CB -0.495 41.594 42.059 0.050 0.000 0.952 138 L HN 0.651 nan 8.230 nan 0.000 0.452 139 N N -0.869 117.832 118.700 0.002 0.000 2.412 139 N HA -0.040 4.700 4.740 0.000 0.000 0.184 139 N C 0.440 175.881 175.510 -0.115 0.000 1.101 139 N CA -0.004 53.006 53.050 -0.066 0.000 0.881 139 N CB 0.201 38.636 38.487 -0.087 0.000 0.969 139 N HN 0.070 nan 8.380 nan 0.000 0.459 140 R N 1.163 121.629 120.500 -0.056 0.000 2.280 140 R HA 0.197 4.537 4.340 0.000 0.000 0.326 140 R C -1.946 174.337 176.300 -0.029 0.000 1.080 140 R CA -1.770 54.253 56.100 -0.130 0.000 1.002 140 R CB 0.973 31.169 30.300 -0.175 0.000 1.136 140 R HN 0.161 nan 8.270 nan 0.000 0.509 141 P HA -0.154 nan 4.420 nan 0.000 0.216 141 P C 1.208 178.624 177.300 0.192 0.000 1.150 141 P CA 1.069 64.216 63.100 0.079 0.000 0.843 141 P CB 0.289 32.038 31.700 0.080 0.000 0.787 142 L N -2.839 118.516 121.223 0.219 0.000 2.156 142 L HA -0.052 4.288 4.340 0.000 0.000 0.208 142 L C 0.924 178.097 176.870 0.504 0.000 1.095 142 L CA 0.715 55.753 54.840 0.329 0.000 0.770 142 L CB -0.683 41.544 42.059 0.281 0.000 0.914 142 L HN 0.079 nan 8.230 nan 0.000 0.439 143 W N 3.099 124.557 121.300 0.263 0.000 1.303 143 W HA 0.097 4.757 4.660 -0.000 0.000 0.478 143 W C 0.996 177.628 176.519 0.189 0.000 0.604 143 W CA -1.292 56.179 57.345 0.209 0.000 2.319 143 W CB -1.788 27.767 29.460 0.158 0.000 1.443 143 W HN 0.340 nan 8.180 nan 0.000 0.249 144 N N -1.208 117.754 118.700 0.438 0.000 2.328 144 N HA 0.241 4.981 4.740 0.000 0.000 0.277 144 N C 1.663 177.324 175.510 0.251 0.000 1.286 144 N CA -0.034 53.199 53.050 0.305 0.000 0.949 144 N CB 0.315 38.964 38.487 0.269 0.000 1.136 144 N HN 0.063 nan 8.380 nan 0.000 0.550 145 G N -0.102 108.812 108.800 0.191 0.000 2.475 145 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 145 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 145 G C 1.375 176.369 174.900 0.157 0.000 1.125 145 G CA 0.375 45.564 45.100 0.147 0.000 0.755 145 G HN 0.497 nan 8.290 nan 0.000 0.565 146 L N 0.122 121.471 121.223 0.211 0.000 2.261 146 L HA -0.081 4.259 4.340 0.000 0.000 0.216 146 L C 2.837 179.811 176.870 0.175 0.000 1.114 146 L CA 0.487 55.451 54.840 0.207 0.000 0.777 146 L CB -0.186 42.057 42.059 0.307 0.000 0.910 146 L HN 0.215 nan 8.230 nan 0.000 0.440 147 M N -0.909 118.798 119.600 0.178 0.000 2.149 147 M HA -0.170 4.310 4.480 0.000 0.000 0.261 147 M C 2.398 178.795 176.300 0.162 0.000 1.064 147 M CA 1.724 57.134 55.300 0.183 0.000 1.102 147 M CB -1.367 31.254 32.600 0.036 0.000 1.369 147 M HN 0.264 nan 8.290 nan 0.000 0.408 148 A N -0.406 122.472 122.820 0.096 0.000 2.168 148 A HA 0.167 4.487 4.320 0.000 0.000 0.215 148 A C 2.315 179.952 177.584 0.089 0.000 1.152 148 A CA 1.581 53.658 52.037 0.066 0.000 0.716 148 A CB -0.901 18.125 19.000 0.042 0.000 0.794 148 A HN 0.539 nan 8.150 nan 0.000 0.465 149 G N -1.105 107.761 108.800 0.111 0.000 2.727 149 G HA2 0.144 4.104 3.960 0.000 0.000 0.203 149 G HA3 0.144 4.104 3.960 0.000 0.000 0.203 149 G C 1.350 176.303 174.900 0.089 0.000 1.117 149 G CA 0.286 45.440 45.100 0.090 0.000 0.817 149 G HN 0.314 nan 8.290 nan 0.000 0.553 150 L N -0.186 121.105 121.223 0.112 0.000 2.201 150 L HA 0.077 4.417 4.340 0.000 0.000 0.212 150 L C 2.477 179.319 176.870 -0.047 0.000 1.105 150 L CA 0.747 55.606 54.840 0.032 0.000 0.775 150 L CB -0.215 41.845 42.059 0.002 0.000 0.913 150 L HN 0.138 nan 8.230 nan 0.000 0.440 151 F N -0.166 119.756 119.950 -0.047 0.000 2.219 151 F HA 0.003 4.530 4.527 0.000 0.000 0.294 151 F C -0.316 175.446 175.800 -0.062 0.000 1.086 151 F CA 0.626 58.589 58.000 -0.062 0.000 1.330 151 F CB -1.695 37.259 39.000 -0.076 0.000 1.047 151 F HN 0.050 nan 8.300 nan 0.000 0.495 152 P HA -0.094 nan 4.420 nan 0.000 0.219 152 P C 2.003 179.302 177.300 -0.001 0.000 1.150 152 P CA 1.268 64.391 63.100 0.038 0.000 0.814 152 P CB 0.050 31.774 31.700 0.040 0.000 0.787 153 L N -1.380 119.837 121.223 -0.009 0.000 2.046 153 L HA -0.149 4.191 4.340 0.000 0.000 0.208 153 L C 2.224 179.059 176.870 -0.059 0.000 1.077 153 L CA 1.705 56.529 54.840 -0.026 0.000 0.747 153 L CB -1.277 40.772 42.059 -0.017 0.000 0.896 153 L HN 0.030 nan 8.230 nan 0.000 0.432 154 T N -0.517 113.972 114.554 -0.108 0.000 2.951 154 T HA -0.041 4.309 4.350 0.000 0.000 0.268 154 T C 1.852 176.473 174.700 -0.132 0.000 1.073 154 T CA 1.042 63.044 62.100 -0.163 0.000 1.134 154 T CB 0.055 68.746 68.868 -0.294 0.000 0.884 154 T HN 0.421 nan 8.240 nan 0.000 0.479 155 A N 1.079 123.843 122.820 -0.094 0.000 1.968 155 A HA 0.108 4.428 4.320 0.000 0.000 0.217 155 A C 2.134 179.694 177.584 -0.040 0.000 1.169 155 A CA 0.929 52.929 52.037 -0.062 0.000 0.638 155 A CB -0.555 18.427 19.000 -0.031 0.000 0.812 155 A HN 0.503 nan 8.150 nan 0.000 0.446 156 L N -0.699 120.504 121.223 -0.034 0.000 2.217 156 L HA -0.068 4.272 4.340 0.000 0.000 0.211 156 L C 2.279 179.130 176.870 -0.031 0.000 1.107 156 L CA 0.438 55.264 54.840 -0.022 0.000 0.783 156 L CB -0.486 41.560 42.059 -0.021 0.000 0.919 156 L HN 0.197 nan 8.230 nan 0.000 0.442 157 V N 0.270 120.154 119.914 -0.051 0.000 2.515 157 V HA -0.226 3.894 4.120 0.000 0.000 0.250 157 V C 2.384 178.437 176.094 -0.068 0.000 1.058 157 V CA 1.366 63.629 62.300 -0.062 0.000 1.064 157 V CB -0.150 31.627 31.823 -0.078 0.000 0.675 157 V HN 0.348 nan 8.190 nan 0.000 0.461 158 L N -0.192 120.991 121.223 -0.068 0.000 2.027 158 L HA -0.102 4.238 4.340 0.000 0.000 0.206 158 L C 2.739 179.584 176.870 -0.040 0.000 1.074 158 L CA 1.571 56.372 54.840 -0.066 0.000 0.745 158 L CB -0.797 41.224 42.059 -0.064 0.000 0.898 158 L HN 0.359 nan 8.230 nan 0.000 0.433 159 A N 0.191 123.006 122.820 -0.008 0.000 1.873 159 A HA -0.147 4.173 4.320 0.000 0.000 0.215 159 A C 2.181 179.803 177.584 0.063 0.000 1.186 159 A CA 1.350 53.411 52.037 0.041 0.000 0.616 159 A CB -0.686 18.348 19.000 0.057 0.000 0.823 159 A HN 0.359 nan 8.150 nan 0.000 0.442 160 L N -0.637 120.610 121.223 0.041 0.000 2.291 160 L HA -0.031 4.309 4.340 0.000 0.000 0.214 160 L C 2.654 179.515 176.870 -0.016 0.000 1.120 160 L CA 0.690 55.566 54.840 0.061 0.000 0.799 160 L CB -0.447 41.643 42.059 0.052 0.000 0.925 160 L HN 0.484 nan 8.230 nan 0.000 0.446 161 G N -0.210 108.547 108.800 -0.071 0.000 2.394 161 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 161 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 161 G C 1.531 176.303 174.900 -0.213 0.000 1.165 161 G CA 0.091 45.096 45.100 -0.158 0.000 0.784 161 G HN 0.147 nan 8.290 nan 0.000 0.535 162 L N 1.082 122.214 121.223 -0.152 0.000 1.961 162 L HA -0.046 4.294 4.340 0.000 0.000 0.210 162 L C 3.181 179.995 176.870 -0.093 0.000 1.072 162 L CA 2.305 57.053 54.840 -0.153 0.000 0.749 162 L CB -1.089 40.922 42.059 -0.079 0.000 0.889 162 L HN 0.316 nan 8.230 nan 0.000 0.432 163 A N 0.032 122.879 122.820 0.045 0.000 1.903 163 A HA -0.285 4.035 4.320 0.000 0.000 0.219 163 A C 2.385 179.900 177.584 -0.115 0.000 1.191 163 A CA 2.472 54.571 52.037 0.103 0.000 0.638 163 A CB -1.009 18.067 19.000 0.127 0.000 0.823 163 A HN 0.646 nan 8.150 nan 0.000 0.451 164 A N -1.021 121.712 122.820 -0.146 0.000 2.015 164 A HA 0.122 4.442 4.320 0.000 0.000 0.219 164 A C 2.072 179.545 177.584 -0.185 0.000 1.163 164 A CA 1.281 53.212 52.037 -0.178 0.000 0.646 164 A CB -0.427 18.487 19.000 -0.144 0.000 0.806 164 A HN 0.489 nan 8.150 nan 0.000 0.448 165 L N -0.697 120.394 121.223 -0.220 0.000 2.341 165 L HA 0.065 4.405 4.340 0.000 0.000 0.214 165 L C 1.077 177.860 176.870 -0.145 0.000 1.115 165 L CA 0.360 55.061 54.840 -0.231 0.000 0.820 165 L CB -0.158 41.671 42.059 -0.384 0.000 0.944 165 L HN 0.315 nan 8.230 nan 0.000 0.452 166 L N 0.257 121.401 121.223 -0.133 0.000 2.779 166 L HA 0.059 4.399 4.340 0.000 0.000 0.239 166 L C 0.125 176.942 176.870 -0.087 0.000 1.245 166 L CA -0.280 54.502 54.840 -0.096 0.000 1.064 166 L CB -0.769 41.232 42.059 -0.096 0.000 1.350 166 L HN 0.094 nan 8.230 nan 0.000 0.455 167 K N 0.691 121.025 120.400 -0.110 0.000 4.166 167 K HA -0.182 4.138 4.320 0.000 0.000 0.276 167 K C -0.088 176.406 176.600 -0.177 0.000 0.808 167 K CA 0.238 56.450 56.287 -0.125 0.000 0.717 167 K CB -1.092 31.360 32.500 -0.080 0.000 1.774 167 K HN 0.229 nan 8.250 nan 0.000 0.427 168 S N 1.540 117.050 115.700 -0.316 0.000 2.480 168 S HA 0.272 4.742 4.470 0.000 0.000 0.286 168 S C -1.202 173.068 174.600 -0.551 0.000 1.180 168 S CA -1.495 56.362 58.200 -0.571 0.000 1.075 168 S CB 1.542 64.032 63.200 -1.183 0.000 0.996 168 S HN 0.164 nan 8.310 nan 0.000 0.487 169 P HA -0.109 nan 4.420 nan 0.000 0.215 169 P C 1.688 178.933 177.300 -0.093 0.000 1.153 169 P CA 1.155 64.149 63.100 -0.177 0.000 0.853 169 P CB -0.131 31.532 31.700 -0.061 0.000 0.788 170 W N 0.117 121.429 121.300 0.020 0.000 2.374 170 W HA 0.062 4.722 4.660 0.000 0.000 0.288 170 W C 1.774 178.314 176.519 0.036 0.000 1.218 170 W CA 0.540 57.901 57.345 0.025 0.000 1.245 170 W CB -1.737 27.723 29.460 -0.000 0.000 1.126 170 W HN -0.110 nan 8.180 nan 0.000 0.545 171 A N 1.913 124.855 122.820 0.203 0.000 1.978 171 A HA -0.181 4.139 4.320 0.000 0.000 0.220 171 A C 2.114 179.774 177.584 0.127 0.000 1.170 171 A CA 1.909 54.075 52.037 0.215 0.000 0.636 171 A CB -0.910 18.003 19.000 -0.145 0.000 0.810 171 A HN 0.293 nan 8.150 nan 0.000 0.448 172 L N -1.611 119.659 121.223 0.078 0.000 1.994 172 L HA -0.099 4.241 4.340 0.000 0.000 0.208 172 L C 2.212 179.174 176.870 0.152 0.000 1.071 172 L CA 2.301 57.188 54.840 0.077 0.000 0.745 172 L CB -0.786 41.306 42.059 0.055 0.000 0.892 172 L HN 0.447 nan 8.230 nan 0.000 0.431 173 F N 1.679 121.668 119.950 0.065 0.000 2.095 173 F HA -0.091 4.436 4.527 0.000 0.000 0.298 173 F C -0.611 175.242 175.800 0.088 0.000 1.104 173 F CA 1.566 59.614 58.000 0.080 0.000 1.232 173 F CB -1.780 37.267 39.000 0.077 0.000 0.987 173 F HN 0.193 nan 8.300 nan 0.000 0.475 174 P HA -0.135 nan 4.420 nan 0.000 0.222 174 P C 2.057 179.286 177.300 -0.120 0.000 1.153 174 P CA 1.164 64.141 63.100 -0.206 0.000 0.798 174 P CB -0.301 31.384 31.700 -0.024 0.000 0.796 175 L N 0.492 121.693 121.223 -0.037 0.000 2.093 175 L HA -0.027 4.313 4.340 0.000 0.000 0.208 175 L C 2.266 179.102 176.870 -0.058 0.000 1.085 175 L CA 1.744 56.559 54.840 -0.041 0.000 0.755 175 L CB -0.863 41.175 42.059 -0.036 0.000 0.904 175 L HN -0.247 nan 8.230 nan 0.000 0.435 176 R N -1.116 119.362 120.500 -0.037 0.000 2.276 176 R HA 0.056 4.396 4.340 0.000 0.000 0.203 176 R C 1.907 178.305 176.300 0.162 0.000 1.017 176 R CA 0.747 56.897 56.100 0.083 0.000 1.010 176 R CB -0.141 30.281 30.300 0.205 0.000 0.900 176 R HN 0.320 nan 8.270 nan 0.000 0.469 177 V N 0.928 120.786 119.914 -0.094 0.000 2.374 177 V HA -0.087 4.033 4.120 0.000 0.000 0.241 177 V C 2.081 178.156 176.094 -0.031 0.000 1.034 177 V CA 1.124 63.346 62.300 -0.129 0.000 1.037 177 V CB -0.145 31.453 31.823 -0.374 0.000 0.682 177 V HN 0.219 nan 8.190 nan 0.000 0.463 178 L N 0.339 121.532 121.223 -0.050 0.000 2.265 178 L HA -0.104 4.236 4.340 0.000 0.000 0.215 178 L C 2.565 179.445 176.870 0.016 0.000 1.117 178 L CA 1.278 56.106 54.840 -0.020 0.000 0.782 178 L CB -0.670 41.367 42.059 -0.036 0.000 0.914 178 L HN 0.381 nan 8.230 nan 0.000 0.441 179 A N 0.177 123.022 122.820 0.042 0.000 1.968 179 A HA -0.005 4.315 4.320 0.000 0.000 0.217 179 A C 2.387 180.108 177.584 0.228 0.000 1.169 179 A CA 1.336 53.414 52.037 0.068 0.000 0.638 179 A CB -0.814 18.157 19.000 -0.049 0.000 0.812 179 A HN 0.403 nan 8.150 nan 0.000 0.446 180 G N -0.348 108.647 108.800 0.325 0.000 2.394 180 G HA2 0.075 4.035 3.960 0.000 0.000 0.214 180 G HA3 0.075 4.035 3.960 0.000 0.000 0.214 180 G C 1.764 176.725 174.900 0.101 0.000 1.176 180 G CA 1.278 46.522 45.100 0.239 0.000 0.786 180 G HN 0.702 nan 8.290 nan 0.000 0.533 181 A N 0.949 123.808 122.820 0.064 0.000 1.865 181 A HA -0.057 4.263 4.320 0.000 0.000 0.217 181 A C 2.696 180.309 177.584 0.048 0.000 1.191 181 A CA 2.428 54.489 52.037 0.040 0.000 0.623 181 A CB -0.930 18.082 19.000 0.020 0.000 0.826 181 A HN 0.307 nan 8.150 nan 0.000 0.444 182 S N -0.287 115.438 115.700 0.041 0.000 2.365 182 S HA -0.150 4.320 4.470 0.000 0.000 0.225 182 S C 1.821 176.446 174.600 0.042 0.000 1.039 182 S CA 1.684 59.897 58.200 0.021 0.000 1.033 182 S CB -0.482 62.711 63.200 -0.012 0.000 0.887 182 S HN 0.491 nan 8.310 nan 0.000 0.447 183 L N 0.349 121.618 121.223 0.077 0.000 2.156 183 L HA -0.031 4.309 4.340 0.000 0.000 0.208 183 L C 2.286 179.217 176.870 0.101 0.000 1.095 183 L CA 0.568 55.466 54.840 0.096 0.000 0.770 183 L CB -0.339 41.813 42.059 0.155 0.000 0.914 183 L HN 0.288 nan 8.230 nan 0.000 0.439 184 L N -0.334 120.941 121.223 0.088 0.000 2.131 184 L HA -0.104 4.236 4.340 0.000 0.000 0.206 184 L C 2.224 179.154 176.870 0.099 0.000 1.087 184 L CA 1.517 56.405 54.840 0.080 0.000 0.767 184 L CB -0.218 41.873 42.059 0.053 0.000 0.917 184 L HN 0.082 nan 8.230 nan 0.000 0.441 185 L N -0.534 120.748 121.223 0.098 0.000 2.141 185 L HA -0.099 4.241 4.340 0.000 0.000 0.209 185 L C 2.622 179.602 176.870 0.182 0.000 1.094 185 L CA 1.023 55.937 54.840 0.124 0.000 0.763 185 L CB -1.113 41.007 42.059 0.102 0.000 0.908 185 L HN 0.363 nan 8.230 nan 0.000 0.437 186 A N 0.148 123.067 122.820 0.165 0.000 2.015 186 A HA -0.180 4.140 4.320 0.000 0.000 0.219 186 A C 2.210 180.026 177.584 0.385 0.000 1.163 186 A CA 1.281 53.464 52.037 0.244 0.000 0.646 186 A CB -0.410 18.653 19.000 0.105 0.000 0.806 186 A HN 0.337 nan 8.150 nan 0.000 0.448 187 L N -0.584 120.797 121.223 0.263 0.000 2.131 187 L HA 0.071 4.411 4.340 0.000 0.000 0.206 187 L C 2.067 179.049 176.870 0.187 0.000 1.087 187 L CA 1.415 56.395 54.840 0.235 0.000 0.767 187 L CB -0.298 41.850 42.059 0.149 0.000 0.917 187 L HN 0.364 nan 8.230 nan 0.000 0.441 188 L N -1.997 119.330 121.223 0.174 0.000 2.240 188 L HA -0.156 4.184 4.340 0.000 0.000 0.211 188 L C 2.420 179.377 176.870 0.146 0.000 1.106 188 L CA 0.788 55.706 54.840 0.130 0.000 0.793 188 L CB -0.863 41.264 42.059 0.114 0.000 0.927 188 L HN 0.307 nan 8.230 nan 0.000 0.446 189 Y N 2.376 122.743 120.300 0.111 0.000 2.030 189 Y HA -0.259 4.291 4.550 -0.000 0.000 0.272 189 Y C -0.435 175.495 175.900 0.051 0.000 1.185 189 Y CA 2.154 60.321 58.100 0.111 0.000 1.120 189 Y CB -1.779 36.792 38.460 0.185 0.000 0.955 189 Y HN 0.094 nan 8.280 nan 0.000 0.495 190 P HA -0.198 nan 4.420 nan 0.000 0.217 190 P C 1.518 178.674 177.300 -0.241 0.000 1.148 190 P CA 1.993 64.871 63.100 -0.369 0.000 0.828 190 P CB -0.218 31.341 31.700 -0.235 0.000 0.783 191 L N -2.378 118.765 121.223 -0.132 0.000 2.610 191 L HA 0.007 4.347 4.340 0.000 0.000 0.232 191 L C 1.743 178.575 176.870 -0.064 0.000 1.149 191 L CA 0.962 55.758 54.840 -0.073 0.000 0.872 191 L CB -0.758 41.287 42.059 -0.024 0.000 0.992 191 L HN -0.004 nan 8.230 nan 0.000 0.447 192 T N -0.403 114.089 114.554 -0.103 0.000 3.022 192 T HA 0.273 4.623 4.350 0.000 0.000 0.250 192 T C 0.783 175.435 174.700 -0.080 0.000 1.060 192 T CA -0.033 62.028 62.100 -0.064 0.000 1.013 192 T CB 0.218 69.066 68.868 -0.032 0.000 0.982 192 T HN 0.001 nan 8.240 nan 0.000 0.508 193 L N 2.504 123.639 121.223 -0.146 0.000 2.399 193 L HA 0.448 4.788 4.340 0.000 0.000 0.265 193 L C -1.991 174.857 176.870 -0.036 0.000 1.089 193 L CA -2.363 52.418 54.840 -0.098 0.000 0.802 193 L CB 0.489 42.449 42.059 -0.165 0.000 1.180 193 L HN -0.056 nan 8.230 nan 0.000 0.454 194 P HA 0.190 nan 4.420 nan 0.000 0.274 194 P C -2.320 174.992 177.300 0.019 0.000 1.246 194 P CA -1.609 61.502 63.100 0.018 0.000 0.795 194 P CB 0.049 31.771 31.700 0.036 0.000 1.006 195 P HA -0.223 nan 4.420 nan 0.000 0.217 195 P C 0.981 178.301 177.300 0.034 0.000 1.151 195 P CA 1.780 64.887 63.100 0.012 0.000 0.849 195 P CB -0.066 31.640 31.700 0.010 0.000 0.787 196 E N -0.155 120.091 120.200 0.077 0.000 2.152 196 E HA -0.039 4.311 4.350 0.000 0.000 0.192 196 E C 2.105 178.812 176.600 0.179 0.000 0.983 196 E CA 1.337 57.819 56.400 0.136 0.000 0.818 196 E CB -1.562 28.256 29.700 0.198 0.000 0.758 196 E HN 0.212 nan 8.360 nan 0.000 0.467 197 A N 1.284 124.226 122.820 0.204 0.000 1.929 197 A HA -0.099 4.221 4.320 0.000 0.000 0.216 197 A C 2.229 179.828 177.584 0.024 0.000 1.176 197 A CA 1.500 53.672 52.037 0.224 0.000 0.628 197 A CB -0.414 18.740 19.000 0.255 0.000 0.816 197 A HN 0.159 nan 8.150 nan 0.000 0.444 198 R N -0.439 120.051 120.500 -0.017 0.000 2.075 198 R HA -0.078 4.262 4.340 0.000 0.000 0.232 198 R C 2.252 178.499 176.300 -0.088 0.000 1.126 198 R CA 1.500 57.549 56.100 -0.085 0.000 0.963 198 R CB -0.698 29.545 30.300 -0.095 0.000 0.858 198 R HN 0.429 nan 8.270 nan 0.000 0.435 199 G N -0.276 108.491 108.800 -0.056 0.000 2.440 199 G HA2 -0.349 3.611 3.960 0.000 0.000 0.218 199 G HA3 -0.349 3.611 3.960 0.000 0.000 0.218 199 G C 1.266 176.097 174.900 -0.115 0.000 1.154 199 G CA 1.338 46.400 45.100 -0.064 0.000 0.767 199 G HN 0.515 nan 8.290 nan 0.000 0.552 200 H N 0.017 118.923 119.070 -0.274 0.000 2.353 200 H HA 0.001 4.557 4.556 0.000 0.000 0.300 200 H C 2.325 177.448 175.328 -0.342 0.000 1.090 200 H CA 1.583 57.350 56.048 -0.468 0.000 1.327 200 H CB -0.207 28.902 29.762 -1.088 0.000 1.383 200 H HN 0.254 nan 8.280 nan 0.000 0.508 201 L N 0.022 121.106 121.223 -0.232 0.000 2.017 201 L HA -0.093 4.247 4.340 0.000 0.000 0.208 201 L C 2.030 178.808 176.870 -0.154 0.000 1.073 201 L CA 1.557 56.299 54.840 -0.164 0.000 0.745 201 L CB -0.553 41.465 42.059 -0.070 0.000 0.894 201 L HN 0.379 nan 8.230 nan 0.000 0.432 202 L N -0.746 120.390 121.223 -0.145 0.000 2.141 202 L HA -0.159 4.181 4.340 0.000 0.000 0.209 202 L C 2.407 179.217 176.870 -0.100 0.000 1.094 202 L CA 1.300 56.077 54.840 -0.104 0.000 0.763 202 L CB -0.631 41.372 42.059 -0.094 0.000 0.908 202 L HN 0.390 nan 8.230 nan 0.000 0.437 203 E N -0.380 119.726 120.200 -0.156 0.000 2.122 203 E HA -0.159 4.191 4.350 0.000 0.000 0.190 203 E C 1.998 178.502 176.600 -0.159 0.000 0.977 203 E CA 0.502 56.815 56.400 -0.145 0.000 0.820 203 E CB 0.125 29.731 29.700 -0.157 0.000 0.770 203 E HN 0.278 nan 8.360 nan 0.000 0.462 204 E N 0.729 120.768 120.200 -0.268 0.000 2.028 204 E HA -0.008 4.342 4.350 0.000 0.000 0.190 204 E C 0.756 177.357 176.600 0.002 0.000 0.984 204 E CA 1.233 57.507 56.400 -0.211 0.000 0.800 204 E CB 0.028 29.463 29.700 -0.441 0.000 0.758 204 E HN 0.237 nan 8.360 nan 0.000 0.448 205 A N -2.461 120.395 122.820 0.061 0.000 3.907 205 A HA 0.725 5.045 4.320 0.000 0.000 0.166 205 A C 1.192 178.908 177.584 0.219 0.000 0.948 205 A CA 0.272 52.471 52.037 0.269 0.000 1.077 205 A CB 0.141 19.358 19.000 0.361 0.000 1.553 205 A HN 0.326 nan 8.150 nan 0.000 0.740 206 G N -1.250 107.761 108.800 0.351 0.000 4.492 206 G HA2 -0.259 3.701 3.960 0.000 0.000 0.265 206 G HA3 -0.259 3.701 3.960 0.000 0.000 0.265 206 G C 1.140 176.190 174.900 0.250 0.000 1.702 206 G CA 0.924 46.187 45.100 0.271 0.000 1.266 206 G HN 1.639 nan 8.290 nan 0.000 0.643 207 F N 1.179 121.099 119.950 -0.049 0.000 2.077 207 F HA -0.274 4.253 4.527 -0.000 0.000 0.292 207 F C 2.603 178.319 175.800 -0.141 0.000 1.120 207 F CA 3.352 61.226 58.000 -0.209 0.000 1.246 207 F CB -0.648 38.018 39.000 -0.556 0.000 0.941 207 F HN 0.473 nan 8.300 nan 0.000 0.514 208 W N -1.484 120.107 121.300 0.485 0.000 2.305 208 W HA -0.317 4.343 4.660 -0.000 0.000 0.308 208 W C 2.509 179.088 176.519 0.100 0.000 1.226 208 W CA 1.258 58.722 57.345 0.200 0.000 1.253 208 W CB -0.862 28.719 29.460 0.203 0.000 1.146 208 W HN 0.261 nan 8.180 nan 0.000 0.507 209 Y N 0.387 120.910 120.300 0.372 0.000 2.133 209 Y HA -0.112 4.438 4.550 0.000 0.000 0.287 209 Y C 2.482 178.482 175.900 0.165 0.000 1.134 209 Y CA 2.157 60.444 58.100 0.310 0.000 1.133 209 Y CB -0.890 37.708 38.460 0.230 0.000 0.987 209 Y HN -0.135 nan 8.280 nan 0.000 0.502 210 G N -0.676 108.253 108.800 0.214 0.000 2.598 210 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 210 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 210 G C 1.424 176.239 174.900 -0.142 0.000 1.131 210 G CA 0.751 45.865 45.100 0.023 0.000 0.785 210 G HN 0.399 nan 8.290 nan 0.000 0.539 211 L N -0.505 120.599 121.223 -0.199 0.000 2.034 211 L HA 0.288 4.628 4.340 0.000 0.000 0.203 211 L C 2.346 179.159 176.870 -0.095 0.000 1.074 211 L CA 1.294 56.001 54.840 -0.223 0.000 0.748 211 L CB -0.448 41.543 42.059 -0.113 0.000 0.905 211 L HN 0.154 nan 8.230 nan 0.000 0.439 212 F N -0.587 119.411 119.950 0.079 0.000 2.408 212 F HA -0.162 4.365 4.527 0.000 0.000 0.300 212 F C 2.189 177.962 175.800 -0.044 0.000 1.090 212 F CA 0.920 58.926 58.000 0.009 0.000 1.427 212 F CB -0.838 38.133 39.000 -0.049 0.000 1.070 212 F HN 0.062 nan 8.300 nan 0.000 0.549 213 L N -1.145 120.137 121.223 0.099 0.000 2.068 213 L HA -0.147 4.193 4.340 0.000 0.000 0.204 213 L C 2.376 179.290 176.870 0.073 0.000 1.076 213 L CA 0.854 55.734 54.840 0.067 0.000 0.753 213 L CB -0.574 41.530 42.059 0.075 0.000 0.910 213 L HN 0.129 nan 8.230 nan 0.000 0.439 214 L N -0.730 120.515 121.223 0.037 0.000 1.994 214 L HA -0.260 4.080 4.340 0.000 0.000 0.208 214 L C 2.577 179.474 176.870 0.046 0.000 1.071 214 L CA 0.932 55.784 54.840 0.019 0.000 0.745 214 L CB -0.468 41.566 42.059 -0.041 0.000 0.892 214 L HN 0.261 nan 8.230 nan 0.000 0.431 215 L N 0.101 121.363 121.223 0.064 0.000 2.021 215 L HA -0.226 4.114 4.340 0.000 0.000 0.215 215 L C 2.501 179.429 176.870 0.098 0.000 1.074 215 L CA 2.343 57.242 54.840 0.098 0.000 0.760 215 L CB -1.680 40.482 42.059 0.171 0.000 0.889 215 L HN 0.382 nan 8.230 nan 0.000 0.433 216 G N -0.986 107.874 108.800 0.099 0.000 2.470 216 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 216 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 216 G C 1.647 176.578 174.900 0.053 0.000 1.121 216 G CA 0.114 45.249 45.100 0.059 0.000 0.766 216 G HN 0.373 nan 8.290 nan 0.000 0.553 217 L N 0.886 122.187 121.223 0.129 0.000 2.549 217 L HA 0.071 4.411 4.340 0.000 0.000 0.229 217 L C 2.700 179.680 176.870 0.183 0.000 1.158 217 L CA 0.366 55.353 54.840 0.246 0.000 0.842 217 L CB -0.011 42.156 42.059 0.180 0.000 0.952 217 L HN 0.306 nan 8.230 nan 0.000 0.452 218 G N -1.399 107.446 108.800 0.075 0.000 2.813 218 G HA2 -0.105 3.855 3.960 0.000 0.000 0.209 218 G HA3 -0.105 3.855 3.960 0.000 0.000 0.209 218 G C 1.394 176.317 174.900 0.038 0.000 1.150 218 G CA 0.455 45.625 45.100 0.117 0.000 0.785 218 G HN 0.252 nan 8.290 nan 0.000 0.535 219 T N 0.739 115.136 114.554 -0.263 0.000 3.035 219 T HA 0.025 4.375 4.350 0.000 0.000 0.268 219 T C 1.157 175.565 174.700 -0.488 0.000 1.109 219 T CA 0.347 62.171 62.100 -0.460 0.000 1.119 219 T CB -0.255 68.161 68.868 -0.753 0.000 0.900 219 T HN 0.359 nan 8.240 nan 0.000 0.503 220 F N -0.191 119.853 119.950 0.156 0.000 2.713 220 F HA 0.448 4.975 4.527 -0.000 0.000 0.294 220 F C 0.064 176.015 175.800 0.252 0.000 1.152 220 F CA -1.283 56.814 58.000 0.161 0.000 1.385 220 F CB 0.142 39.216 39.000 0.124 0.000 0.981 220 F HN 0.135 nan 8.300 nan 0.000 0.514 221 W N 1.629 122.989 121.300 0.100 0.000 3.129 221 W HA 0.464 5.124 4.660 -0.000 0.000 0.333 221 W C -0.408 176.143 176.519 0.054 0.000 1.141 221 W CA -0.942 56.453 57.345 0.084 0.000 1.224 221 W CB 0.803 30.311 29.460 0.080 0.000 1.393 221 W HN -0.093 nan 8.180 nan 0.000 0.499 222 Q N 1.571 121.018 119.800 -0.587 0.000 0.991 222 Q HA -0.257 4.083 4.340 0.000 0.000 0.423 222 Q C -0.767 175.093 176.000 -0.234 0.000 1.037 222 Q CA 1.467 56.931 55.803 -0.565 0.000 0.435 222 Q CB -0.711 27.429 28.738 -0.996 0.000 5.269 222 Q HN 0.619 nan 8.270 nan 0.000 0.476 223 E N 0.236 120.324 120.200 -0.187 0.000 2.367 223 E HA 0.590 4.940 4.350 0.000 0.000 0.273 223 E C -0.189 176.395 176.600 -0.027 0.000 0.903 223 E CA -0.677 55.675 56.400 -0.080 0.000 0.764 223 E CB 1.679 31.340 29.700 -0.066 0.000 1.252 223 E HN 0.633 nan 8.360 nan 0.000 0.446 224 R N -0.436 120.089 120.500 0.042 0.000 3.963 224 R HA -0.212 4.128 4.340 0.000 0.000 0.394 224 R C -0.036 176.454 176.300 0.316 0.000 1.131 224 R CA 1.206 57.416 56.100 0.184 0.000 1.059 224 R CB -1.748 28.633 30.300 0.134 0.000 1.614 224 R HN 0.638 nan 8.270 nan 0.000 0.546 225 L N -2.572 118.773 121.223 0.204 0.000 2.614 225 L HA 0.573 4.913 4.340 0.000 0.000 0.185 225 L C 2.029 179.041 176.870 0.237 0.000 1.098 225 L CA 0.960 55.968 54.840 0.281 0.000 0.852 225 L CB -0.492 41.758 42.059 0.318 0.000 1.213 225 L HN 0.122 nan 8.230 nan 0.000 0.491 226 A N 1.181 124.067 122.820 0.109 0.000 1.873 226 A HA -0.228 4.092 4.320 0.000 0.000 0.219 226 A C -0.230 177.326 177.584 -0.047 0.000 1.269 226 A CA 2.861 54.908 52.037 0.017 0.000 0.671 226 A CB -2.398 16.580 19.000 -0.036 0.000 0.842 226 A HN 0.456 nan 8.150 nan 0.000 0.460 227 P HA -0.147 nan 4.420 nan 0.000 0.218 227 P C 0.967 178.089 177.300 -0.296 0.000 1.148 227 P CA 1.328 64.275 63.100 -0.255 0.000 0.822 227 P CB -0.161 31.320 31.700 -0.365 0.000 0.784 228 W N 0.205 121.498 121.300 -0.013 0.000 2.378 228 W HA -0.062 4.598 4.660 0.000 0.000 0.313 228 W C 2.673 179.197 176.519 0.008 0.000 1.197 228 W CA 1.041 58.387 57.345 0.002 0.000 1.304 228 W CB -1.168 28.304 29.460 0.020 0.000 1.148 228 W HN -0.162 nan 8.180 nan 0.000 0.494 229 A N 0.234 123.213 122.820 0.264 0.000 2.070 229 A HA -0.044 4.276 4.320 0.000 0.000 0.220 229 A C 2.124 179.749 177.584 0.069 0.000 1.159 229 A CA 1.850 53.986 52.037 0.166 0.000 0.656 229 A CB -1.263 17.828 19.000 0.151 0.000 0.800 229 A HN 0.355 nan 8.150 nan 0.000 0.453 230 G N -1.101 107.696 108.800 -0.005 0.000 2.595 230 G HA2 0.117 4.077 3.960 0.000 0.000 0.213 230 G HA3 0.117 4.077 3.960 0.000 0.000 0.213 230 G C 1.434 176.301 174.900 -0.056 0.000 1.141 230 G CA 0.614 45.674 45.100 -0.068 0.000 0.806 230 G HN 0.422 nan 8.290 nan 0.000 0.530 231 L N 0.070 121.268 121.223 -0.041 0.000 2.131 231 L HA 0.248 4.588 4.340 0.000 0.000 0.206 231 L C 2.600 179.467 176.870 -0.006 0.000 1.087 231 L CA 0.716 55.527 54.840 -0.050 0.000 0.767 231 L CB -0.039 41.962 42.059 -0.095 0.000 0.917 231 L HN 0.129 nan 8.230 nan 0.000 0.441 232 L N -0.796 120.471 121.223 0.074 0.000 2.109 232 L HA -0.098 4.242 4.340 0.000 0.000 0.207 232 L C 2.766 179.635 176.870 -0.002 0.000 1.086 232 L CA 0.840 55.732 54.840 0.087 0.000 0.760 232 L CB -0.790 41.389 42.059 0.200 0.000 0.910 232 L HN 0.305 nan 8.230 nan 0.000 0.437 233 A N 0.499 123.342 122.820 0.039 0.000 1.851 233 A HA -0.220 4.100 4.320 0.000 0.000 0.216 233 A C 2.562 180.028 177.584 -0.197 0.000 1.195 233 A CA 1.952 53.986 52.037 -0.004 0.000 0.622 233 A CB -0.899 18.122 19.000 0.035 0.000 0.831 233 A HN 0.374 nan 8.150 nan 0.000 0.444 234 A N -0.328 122.395 122.820 -0.160 0.000 1.892 234 A HA 0.075 4.395 4.320 0.000 0.000 0.218 234 A C 2.482 179.899 177.584 -0.278 0.000 1.188 234 A CA 2.515 54.426 52.037 -0.210 0.000 0.631 234 A CB -1.042 17.864 19.000 -0.158 0.000 0.822 234 A HN 1.196 nan 8.150 nan 0.000 0.447 235 A N -0.814 121.856 122.820 -0.249 0.000 2.014 235 A HA 0.268 4.588 4.320 0.000 0.000 0.218 235 A C 2.281 179.607 177.584 -0.430 0.000 1.163 235 A CA 1.578 53.464 52.037 -0.253 0.000 0.652 235 A CB -1.138 17.779 19.000 -0.139 0.000 0.808 235 A HN 0.668 nan 8.150 nan 0.000 0.449 236 G N 0.414 108.743 108.800 -0.786 0.000 2.524 236 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 236 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 236 G C 1.504 175.828 174.900 -0.960 0.000 1.239 236 G CA 1.076 45.153 45.100 -1.705 0.000 0.798 236 G HN 0.398 nan 8.290 nan 0.000 0.557 237 L N 0.208 120.999 121.223 -0.720 0.000 2.021 237 L HA -0.212 4.128 4.340 0.000 0.000 0.215 237 L C 3.219 179.909 176.870 -0.300 0.000 1.074 237 L CA 1.740 56.351 54.840 -0.382 0.000 0.760 237 L CB -0.392 41.453 42.059 -0.356 0.000 0.889 237 L HN 0.187 nan 8.230 nan 0.000 0.433 238 R N -0.350 119.926 120.500 -0.373 0.000 2.083 238 R HA -0.156 4.184 4.340 0.000 0.000 0.237 238 R C 2.402 178.656 176.300 -0.077 0.000 1.137 238 R CA 1.452 57.352 56.100 -0.334 0.000 0.951 238 R CB -0.613 29.505 30.300 -0.303 0.000 0.851 238 R HN 0.412 nan 8.270 nan 0.000 0.434 239 A N 1.692 124.452 122.820 -0.101 0.000 1.897 239 A HA -0.113 4.207 4.320 0.000 0.000 0.215 239 A C 2.115 179.713 177.584 0.024 0.000 1.181 239 A CA 0.991 53.014 52.037 -0.024 0.000 0.620 239 A CB -0.400 18.580 19.000 -0.033 0.000 0.821 239 A HN 0.266 nan 8.150 nan 0.000 0.443 240 L N -0.078 121.158 121.223 0.022 0.000 2.093 240 L HA -0.037 4.303 4.340 0.000 0.000 0.208 240 L C 1.987 178.985 176.870 0.214 0.000 1.085 240 L CA 1.668 56.593 54.840 0.141 0.000 0.755 240 L CB -1.269 40.929 42.059 0.231 0.000 0.904 240 L HN 0.351 nan 8.230 nan 0.000 0.435 241 L N -1.067 120.287 121.223 0.217 0.000 2.141 241 L HA -0.130 4.210 4.340 0.000 0.000 0.209 241 L C 2.503 179.646 176.870 0.454 0.000 1.094 241 L CA 0.777 55.824 54.840 0.345 0.000 0.763 241 L CB -0.621 41.630 42.059 0.319 0.000 0.908 241 L HN 0.146 nan 8.230 nan 0.000 0.437 242 V N -0.053 119.995 119.914 0.224 0.000 2.453 242 V HA -0.222 3.898 4.120 0.000 0.000 0.247 242 V C 2.314 178.586 176.094 0.297 0.000 1.048 242 V CA 1.367 63.748 62.300 0.136 0.000 1.049 242 V CB -0.195 31.423 31.823 -0.343 0.000 0.672 242 V HN 0.334 nan 8.190 nan 0.000 0.457 243 L N -0.010 121.329 121.223 0.192 0.000 2.068 243 L HA -0.020 4.320 4.340 0.000 0.000 0.204 243 L C 2.603 179.559 176.870 0.144 0.000 1.076 243 L CA 1.525 56.453 54.840 0.147 0.000 0.753 243 L CB -0.693 41.441 42.059 0.125 0.000 0.910 243 L HN 0.343 nan 8.230 nan 0.000 0.439 244 A N -0.099 122.836 122.820 0.191 0.000 2.119 244 A HA 0.044 4.364 4.320 0.000 0.000 0.216 244 A C 2.116 179.781 177.584 0.134 0.000 1.152 244 A CA 1.104 53.236 52.037 0.158 0.000 0.708 244 A CB -0.660 18.444 19.000 0.174 0.000 0.805 244 A HN 0.422 nan 8.150 nan 0.000 0.460 245 G N -1.038 107.829 108.800 0.111 0.000 2.985 245 G HA2 0.094 4.054 3.960 0.000 0.000 0.209 245 G HA3 0.094 4.054 3.960 0.000 0.000 0.209 245 G C 0.790 175.185 174.900 -0.842 0.000 1.165 245 G CA -0.111 44.759 45.100 -0.384 0.000 0.776 245 G HN 0.584 nan 8.290 nan 0.000 0.541 246 Q N 0.020 119.567 119.800 -0.421 0.000 2.945 246 Q HA 0.195 4.535 4.340 0.000 0.000 0.323 246 Q C -0.918 175.023 176.000 -0.099 0.000 1.188 246 Q CA -0.519 55.042 55.803 -0.404 0.000 0.929 246 Q CB 0.100 28.511 28.738 -0.546 0.000 1.531 246 Q HN 0.506 nan 8.270 nan 0.000 0.444 247 W N -0.219 120.861 121.300 -0.367 0.000 2.844 247 W HA 0.277 4.937 4.660 0.000 0.000 0.340 247 W C 0.284 176.638 176.519 -0.276 0.000 1.093 247 W CA -0.605 56.563 57.345 -0.295 0.000 1.212 247 W CB 1.692 30.913 29.460 -0.399 0.000 1.422 247 W HN -0.005 nan 8.180 nan 0.000 0.515 248 Q N 3.075 122.411 119.800 -0.772 0.000 2.316 248 Q HA 0.284 4.624 4.340 0.000 0.000 0.235 248 Q C 1.232 176.669 176.000 -0.938 0.000 0.863 248 Q CA 0.545 55.962 55.803 -0.644 0.000 0.939 248 Q CB 0.256 28.751 28.738 -0.405 0.000 1.108 248 Q HN 0.672 nan 8.270 nan 0.000 0.522 249 G N 1.721 109.464 108.800 -1.762 0.000 2.635 249 G HA2 -0.091 3.869 3.960 0.000 0.000 0.264 249 G HA3 -0.091 3.869 3.960 0.000 0.000 0.264 249 G C -0.150 174.275 174.900 -0.793 0.000 0.583 249 G CA 0.490 44.621 45.100 -1.615 0.000 1.071 249 G HN 0.314 nan 8.290 nan 0.000 0.270 250 L N 2.480 123.499 121.223 -0.340 0.000 2.731 250 L HA 0.936 5.276 4.340 0.000 0.000 0.199 250 L C 1.228 178.100 176.870 0.003 0.000 1.976 250 L CA -0.307 54.445 54.840 -0.147 0.000 2.802 250 L CB 0.255 42.252 42.059 -0.103 0.000 2.882 250 L HN 0.834 nan 8.230 nan 0.000 0.651 251 G N 0.000 108.812 108.800 0.020 0.000 5.446 251 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 251 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 251 G CA 0.000 nan 45.100 nan 0.000 0.502 251 G HN 0.000 nan 8.290 nan 0.000 0.925