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 3i45_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLEAIRIGEI NSYSQIPAFT LPYRNGWQLA VEQINAAGGL LGGRPLEVIS DATA SEQUENCE RDDGGDPGKA VTAAQELLTR HGVHALAGTF LSHVGLAVSD FARQRKVLFM DATA SEQUENCE ASEPLTDALT WEKGNRYTYR LRPSTYMQAA MLAAEAAKLP ITRWATIAPN DATA SEQUENCE YEYGQSAVAR FKELLLAARP EVTFVAEQWP ALYKLDAGPT VQALQQAEPE DATA SEQUENCE GLFNVLFGAD LPKFVREGRV RGLFAGRQVV SMLTGEPEYL NPLKDEAPEG DATA SEQUENCE WIVTGYPWYD IDTAPHRAFV EAYRARWKED PFVGSLVGYN TLTAMAVAFE DATA SEQUENCE KAGGTESETL VETLKDMAFS TPMGPLSFRA SDHQSTMGAW VGRTALRDGK DATA SEQUENCE GVMVDWRYVD GGSVLPPPEV VSAWRPAG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.601 174.600 0.002 0.000 1.055 2 S CA 0.000 58.201 58.200 0.002 0.000 1.107 2 S CB 0.000 63.202 63.200 0.004 0.000 0.593 3 L N 2.879 124.102 121.223 -0.001 0.000 2.397 3 L HA 0.368 4.708 4.340 -0.001 0.000 0.271 3 L C 0.678 177.547 176.870 -0.002 0.000 1.148 3 L CA -0.437 54.400 54.840 -0.004 0.000 0.825 3 L CB 0.401 42.455 42.059 -0.009 0.000 1.117 3 L HN 0.661 nan 8.230 nan 0.000 0.456 4 E N 2.450 122.650 120.200 -0.000 0.000 2.376 4 E HA 0.164 4.514 4.350 -0.001 0.000 0.266 4 E C 0.013 176.614 176.600 0.002 0.000 1.009 4 E CA -0.132 56.275 56.400 0.011 0.000 0.902 4 E CB 1.057 30.772 29.700 0.025 0.000 0.972 4 E HN 0.599 nan 8.360 nan 0.000 0.439 5 A N 4.072 126.902 122.820 0.016 0.000 2.425 5 A HA 0.227 4.547 4.320 -0.001 0.000 0.242 5 A C 0.391 177.980 177.584 0.008 0.000 1.077 5 A CA -0.253 51.784 52.037 0.001 0.000 0.781 5 A CB 0.161 19.167 19.000 0.011 0.000 1.020 5 A HN 0.619 nan 8.150 nan 0.000 0.494 6 I N 1.770 122.280 120.570 -0.100 0.000 2.325 6 I HA 0.250 4.420 4.170 -0.001 0.000 0.291 6 I C 0.427 176.503 176.117 -0.068 0.000 1.019 6 I CA 0.140 61.309 61.300 -0.218 0.000 1.302 6 I CB 0.738 38.386 38.000 -0.585 0.000 1.401 6 I HN 0.619 nan 8.210 nan 0.000 0.485 7 R N 6.997 127.602 120.500 0.175 0.000 2.387 7 R HA 0.676 5.016 4.340 -0.001 0.000 0.314 7 R C -0.961 175.358 176.300 0.031 0.000 0.958 7 R CA -0.664 55.454 56.100 0.030 0.000 0.846 7 R CB 2.022 32.298 30.300 -0.040 0.000 1.147 7 R HN 0.541 nan 8.270 nan 0.000 0.447 8 I N 1.357 121.923 120.570 -0.007 0.000 2.406 8 I HA 0.325 4.495 4.170 -0.001 0.000 0.290 8 I C 0.519 176.613 176.117 -0.038 0.000 0.999 8 I CA -0.723 60.587 61.300 0.017 0.000 1.124 8 I CB 2.202 40.203 38.000 0.001 0.000 1.289 8 I HN 0.684 nan 8.210 nan 0.000 0.441 9 G N 5.229 114.030 108.800 0.002 0.000 2.356 9 G HA2 0.305 4.265 3.960 -0.001 0.000 0.312 9 G HA3 0.305 4.265 3.960 -0.001 0.000 0.312 9 G C -0.607 174.291 174.900 -0.003 0.000 1.096 9 G CA -0.177 44.914 45.100 -0.014 0.000 0.950 9 G HN 0.523 nan 8.290 nan 0.000 0.428 10 E N 2.705 122.873 120.200 -0.053 0.000 2.183 10 E HA 0.481 4.830 4.350 -0.001 0.000 0.271 10 E C -0.858 175.804 176.600 0.103 0.000 0.919 10 E CA -0.582 55.804 56.400 -0.023 0.000 0.781 10 E CB 1.745 31.277 29.700 -0.279 0.000 1.140 10 E HN 0.379 nan 8.360 nan 0.000 0.402 11 I N 3.883 124.550 120.570 0.161 0.000 2.498 11 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 11 I C 0.107 176.319 176.117 0.159 0.000 1.032 11 I CA -0.643 60.751 61.300 0.156 0.000 1.073 11 I CB 1.764 39.798 38.000 0.056 0.000 1.251 11 I HN 0.319 nan 8.210 nan 0.000 0.426 12 N N 1.954 120.722 118.700 0.112 0.000 3.106 12 N HA 0.301 5.041 4.740 -0.001 0.000 0.253 12 N C -1.117 174.218 175.510 -0.292 0.000 1.506 12 N CA -0.547 52.401 53.050 -0.171 0.000 0.876 12 N CB 2.380 40.644 38.487 -0.372 0.000 1.452 12 N HN 0.338 nan 8.380 nan 0.000 0.542 13 S N 1.573 117.057 115.700 -0.360 0.000 3.513 13 S HA 0.173 4.643 4.470 -0.001 0.000 0.209 13 S C 0.670 175.119 174.600 -0.251 0.000 1.446 13 S CA -0.355 57.693 58.200 -0.253 0.000 1.150 13 S CB -0.797 62.243 63.200 -0.266 0.000 1.266 13 S HN 0.399 nan 8.310 nan 0.000 0.502 14 Y N 1.628 121.953 120.300 0.042 0.000 2.224 14 Y HA -0.189 4.360 4.550 -0.000 0.000 0.289 14 Y C 2.774 178.681 175.900 0.012 0.000 1.146 14 Y CA 1.275 59.405 58.100 0.049 0.000 1.182 14 Y CB -0.595 37.916 38.460 0.083 0.000 0.983 14 Y HN 0.564 nan 8.280 nan 0.000 0.524 15 S N -1.281 114.497 115.700 0.130 0.000 2.489 15 S HA -0.080 4.390 4.470 -0.001 0.000 0.228 15 S C 1.529 176.143 174.600 0.023 0.000 0.995 15 S CA 0.627 58.869 58.200 0.070 0.000 0.934 15 S CB -0.009 63.225 63.200 0.056 0.000 0.771 15 S HN 0.363 nan 8.310 nan 0.000 0.522 16 Q N 0.235 120.019 119.800 -0.028 0.000 2.462 16 Q HA 0.453 4.792 4.340 -0.001 0.000 0.224 16 Q C 0.621 176.581 176.000 -0.068 0.000 0.911 16 Q CA 0.419 56.185 55.803 -0.062 0.000 0.925 16 Q CB 0.466 29.120 28.738 -0.140 0.000 1.063 16 Q HN 0.618 nan 8.270 nan 0.000 0.572 17 I N 3.233 123.716 120.570 -0.145 0.000 2.925 17 I HA 0.174 4.344 4.170 -0.001 0.000 0.296 17 I C -2.003 174.080 176.117 -0.058 0.000 1.413 17 I CA -1.954 59.266 61.300 -0.134 0.000 0.932 17 I CB 1.416 39.169 38.000 -0.412 0.000 1.873 17 I HN -0.133 nan 8.210 nan 0.000 0.619 18 P HA -0.127 nan 4.420 nan 0.000 0.222 18 P C 1.425 178.719 177.300 -0.010 0.000 1.147 18 P CA 1.143 64.261 63.100 0.030 0.000 0.790 18 P CB 0.235 31.953 31.700 0.030 0.000 0.780 19 A N -0.506 122.314 122.820 -0.000 0.000 1.948 19 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 19 A C 2.086 179.597 177.584 -0.122 0.000 1.177 19 A CA 1.530 53.516 52.037 -0.086 0.000 0.636 19 A CB -1.675 17.349 19.000 0.040 0.000 0.815 19 A HN 0.239 nan 8.150 nan 0.000 0.449 20 F N 0.764 120.663 119.950 -0.086 0.000 2.274 20 F HA -0.035 4.491 4.527 -0.001 0.000 0.288 20 F C 2.698 178.515 175.800 0.028 0.000 1.069 20 F CA 1.977 59.967 58.000 -0.017 0.000 1.343 20 F CB -0.244 38.851 39.000 0.159 0.000 1.089 20 F HN 0.279 nan 8.300 nan 0.000 0.517 21 T N -0.534 114.163 114.554 0.237 0.000 2.951 21 T HA -0.067 4.283 4.350 -0.001 0.000 0.268 21 T C 2.014 176.903 174.700 0.314 0.000 1.073 21 T CA 1.314 63.578 62.100 0.273 0.000 1.134 21 T CB -0.802 68.067 68.868 0.002 0.000 0.884 21 T HN 0.333 nan 8.240 nan 0.000 0.479 22 L N 0.921 122.216 121.223 0.120 0.000 2.023 22 L HA 0.081 4.420 4.340 -0.001 0.000 0.205 22 L C -0.320 176.470 176.870 -0.134 0.000 1.073 22 L CA 1.126 55.966 54.840 0.000 0.000 0.745 22 L CB -1.766 40.255 42.059 -0.065 0.000 0.900 22 L HN 0.202 nan 8.230 nan 0.000 0.435 23 P HA -0.216 nan 4.420 nan 0.000 0.218 23 P C 1.431 178.687 177.300 -0.073 0.000 1.149 23 P CA 1.232 64.278 63.100 -0.091 0.000 0.817 23 P CB -0.093 31.582 31.700 -0.042 0.000 0.785 24 Y N 1.240 121.398 120.300 -0.237 0.000 2.128 24 Y HA -0.226 4.324 4.550 -0.001 0.000 0.284 24 Y C 2.633 178.477 175.900 -0.094 0.000 1.154 24 Y CA 1.739 59.766 58.100 -0.122 0.000 1.149 24 Y CB -0.556 37.847 38.460 -0.096 0.000 0.976 24 Y HN -0.269 nan 8.280 nan 0.000 0.505 25 R N 0.339 120.678 120.500 -0.269 0.000 2.081 25 R HA -0.182 4.158 4.340 -0.001 0.000 0.235 25 R C 1.889 177.548 176.300 -1.068 0.000 1.131 25 R CA 1.779 57.245 56.100 -1.056 0.000 0.960 25 R CB -0.341 29.593 30.300 -0.609 0.000 0.856 25 R HN 0.367 nan 8.270 nan 0.000 0.436 26 N N 0.044 118.261 118.700 -0.805 0.000 2.094 26 N HA -0.136 4.603 4.740 -0.001 0.000 0.191 26 N C 1.643 177.002 175.510 -0.253 0.000 1.023 26 N CA 1.622 54.011 53.050 -1.100 0.000 0.857 26 N CB -0.715 36.836 38.487 -1.561 0.000 1.013 26 N HN 0.442 nan 8.380 nan 0.000 0.426 27 G N 0.959 109.767 108.800 0.014 0.000 2.404 27 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.215 27 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.215 27 G C 1.411 176.518 174.900 0.345 0.000 1.174 27 G CA 0.765 46.087 45.100 0.369 0.000 0.780 27 G HN 0.553 nan 8.290 nan 0.000 0.537 28 W N 0.617 121.939 121.300 0.038 0.000 2.402 28 W HA 0.046 4.705 4.660 -0.001 0.000 0.286 28 W C 1.906 178.470 176.519 0.075 0.000 1.221 28 W CA 0.757 58.098 57.345 -0.006 0.000 1.257 28 W CB -0.571 28.789 29.460 -0.168 0.000 1.120 28 W HN 0.275 nan 8.180 nan 0.000 0.551 29 Q N 0.941 120.739 119.800 -0.004 0.000 2.119 29 Q HA -0.180 4.160 4.340 -0.001 0.000 0.201 29 Q C 2.443 178.604 176.000 0.268 0.000 0.972 29 Q CA 1.719 57.593 55.803 0.118 0.000 0.847 29 Q CB -0.377 28.332 28.738 -0.050 0.000 0.903 29 Q HN 0.233 nan 8.270 nan 0.000 0.433 30 L N 0.749 122.198 121.223 0.376 0.000 2.012 30 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 30 L C 2.172 179.245 176.870 0.338 0.000 1.073 30 L CA 2.110 57.176 54.840 0.377 0.000 0.748 30 L CB -0.732 41.649 42.059 0.536 0.000 0.891 30 L HN 0.119 nan 8.230 nan 0.000 0.431 31 A N -1.165 121.852 122.820 0.328 0.000 1.877 31 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 31 A C 2.264 179.893 177.584 0.075 0.000 1.186 31 A CA 2.072 54.130 52.037 0.036 0.000 0.620 31 A CB -1.173 17.680 19.000 -0.245 0.000 0.822 31 A HN 0.308 nan 8.150 nan 0.000 0.443 32 V N 0.168 120.170 119.914 0.146 0.000 2.343 32 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 32 V C 2.426 178.578 176.094 0.097 0.000 1.051 32 V CA 2.375 64.751 62.300 0.128 0.000 1.036 32 V CB -0.915 31.027 31.823 0.198 0.000 0.654 32 V HN 0.647 nan 8.190 nan 0.000 0.451 33 E N -0.342 119.921 120.200 0.106 0.000 2.085 33 E HA -0.283 4.067 4.350 -0.001 0.000 0.194 33 E C 2.348 178.980 176.600 0.053 0.000 0.994 33 E CA 1.491 57.928 56.400 0.061 0.000 0.801 33 E CB -0.176 29.543 29.700 0.031 0.000 0.743 33 E HN 0.675 nan 8.360 nan 0.000 0.453 34 Q N 0.248 120.096 119.800 0.080 0.000 2.079 34 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 34 Q C 2.285 178.319 176.000 0.057 0.000 0.974 34 Q CA 1.023 56.873 55.803 0.079 0.000 0.840 34 Q CB -0.076 28.744 28.738 0.136 0.000 0.898 34 Q HN 0.325 nan 8.270 nan 0.000 0.430 35 I N 1.131 121.730 120.570 0.047 0.000 2.226 35 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 35 I C 1.806 177.939 176.117 0.025 0.000 1.100 35 I CA 0.844 62.163 61.300 0.032 0.000 1.374 35 I CB -0.236 37.777 38.000 0.022 0.000 1.057 35 I HN 0.213 nan 8.210 nan 0.000 0.413 36 N N 0.974 119.690 118.700 0.026 0.000 2.188 36 N HA -0.096 4.644 4.740 -0.001 0.000 0.184 36 N C 1.869 177.387 175.510 0.014 0.000 1.018 36 N CA 1.502 54.562 53.050 0.017 0.000 0.858 36 N CB -0.359 38.139 38.487 0.018 0.000 0.989 36 N HN 0.342 nan 8.380 nan 0.000 0.426 37 A N 0.696 123.526 122.820 0.018 0.000 2.015 37 A HA 0.105 4.425 4.320 -0.001 0.000 0.219 37 A C 2.069 179.663 177.584 0.016 0.000 1.163 37 A CA 1.541 53.586 52.037 0.013 0.000 0.646 37 A CB -0.435 18.571 19.000 0.011 0.000 0.806 37 A HN 0.287 nan 8.150 nan 0.000 0.448 38 A N -1.976 120.857 122.820 0.022 0.000 2.238 38 A HA 0.434 4.754 4.320 -0.001 0.000 0.208 38 A C 1.551 179.146 177.584 0.018 0.000 1.177 38 A CA 1.182 53.233 52.037 0.024 0.000 0.804 38 A CB -0.654 18.366 19.000 0.033 0.000 0.823 38 A HN 1.736 nan 8.150 nan 0.000 0.482 39 G N -3.020 105.788 108.800 0.013 0.000 2.205 39 G HA2 0.314 4.274 3.960 -0.001 0.000 0.180 39 G HA3 0.314 4.274 3.960 -0.001 0.000 0.180 39 G C 1.317 176.219 174.900 0.003 0.000 1.004 39 G CA 0.392 45.497 45.100 0.008 0.000 0.670 39 G HN 2.170 nan 8.290 nan 0.000 0.496 40 G N -0.775 108.027 108.800 0.004 0.000 2.562 40 G HA2 0.038 3.998 3.960 -0.001 0.000 0.250 40 G HA3 0.038 3.998 3.960 -0.001 0.000 0.250 40 G C -0.135 174.761 174.900 -0.007 0.000 1.269 40 G CA 0.195 45.292 45.100 -0.006 0.000 0.919 40 G HN 1.339 nan 8.290 nan 0.000 0.574 41 L N -0.895 120.314 121.223 -0.022 0.000 2.350 41 L HA 0.685 5.025 4.340 -0.001 0.000 0.260 41 L C 0.184 177.039 176.870 -0.026 0.000 1.015 41 L CA -1.170 53.659 54.840 -0.018 0.000 0.821 41 L CB 1.815 43.857 42.059 -0.029 0.000 1.370 41 L HN 0.815 nan 8.230 nan 0.000 0.416 42 L N 2.951 124.168 121.223 -0.010 0.000 3.677 42 L HA -0.190 4.150 4.340 -0.001 0.000 0.464 42 L C 1.007 177.868 176.870 -0.015 0.000 1.278 42 L CA 1.477 56.309 54.840 -0.012 0.000 0.806 42 L CB -2.045 39.998 42.059 -0.027 0.000 1.610 42 L HN 1.070 nan 8.230 nan 0.000 0.867 43 G N -1.322 107.473 108.800 -0.008 0.000 2.137 43 G HA2 0.186 4.146 3.960 -0.001 0.000 0.237 43 G HA3 0.186 4.146 3.960 -0.001 0.000 0.237 43 G C 1.293 176.188 174.900 -0.009 0.000 1.002 43 G CA 0.727 45.824 45.100 -0.006 0.000 0.702 43 G HN 2.140 nan 8.290 nan 0.000 0.515 44 G N -1.608 107.185 108.800 -0.011 0.000 2.159 44 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.170 44 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.170 44 G C 0.245 175.134 174.900 -0.018 0.000 1.007 44 G CA 0.385 45.478 45.100 -0.011 0.000 0.672 44 G HN 0.913 nan 8.290 nan 0.000 0.507 45 R N 1.537 122.019 120.500 -0.031 0.000 2.442 45 R HA 0.386 4.726 4.340 -0.001 0.000 0.291 45 R C -2.177 174.096 176.300 -0.045 0.000 1.069 45 R CA -1.171 54.903 56.100 -0.043 0.000 1.022 45 R CB 0.747 31.005 30.300 -0.071 0.000 0.976 45 R HN 0.182 nan 8.270 nan 0.000 0.443 46 P HA 0.014 nan 4.420 nan 0.000 0.275 46 P C -0.874 176.398 177.300 -0.047 0.000 1.227 46 P CA -0.473 62.611 63.100 -0.027 0.000 0.781 46 P CB 0.769 32.462 31.700 -0.011 0.000 0.906 47 L N 3.007 124.206 121.223 -0.039 0.000 2.276 47 L HA 0.335 4.675 4.340 -0.001 0.000 0.286 47 L C 0.050 176.912 176.870 -0.013 0.000 1.061 47 L CA 0.263 55.071 54.840 -0.053 0.000 0.807 47 L CB 0.129 42.164 42.059 -0.039 0.000 1.177 47 L HN 0.340 nan 8.230 nan 0.000 0.429 48 E N 3.536 123.722 120.200 -0.022 0.000 2.266 48 E HA 0.554 4.903 4.350 -0.001 0.000 0.268 48 E C -1.462 175.130 176.600 -0.014 0.000 0.879 48 E CA -0.879 55.524 56.400 0.005 0.000 0.762 48 E CB 2.546 32.249 29.700 0.005 0.000 1.199 48 E HN 0.366 nan 8.360 nan 0.000 0.422 49 V N 4.115 124.032 119.914 0.005 0.000 2.448 49 V HA 0.411 4.531 4.120 -0.001 0.000 0.295 49 V C -0.299 175.761 176.094 -0.056 0.000 1.025 49 V CA -0.601 61.645 62.300 -0.090 0.000 0.859 49 V CB 1.237 32.897 31.823 -0.273 0.000 0.988 49 V HN 0.571 nan 8.190 nan 0.000 0.431 50 I N 3.786 124.293 120.570 -0.105 0.000 2.355 50 I HA 0.461 4.631 4.170 -0.001 0.000 0.288 50 I C 0.146 176.203 176.117 -0.099 0.000 0.999 50 I CA 0.069 61.297 61.300 -0.120 0.000 1.163 50 I CB 1.705 39.570 38.000 -0.224 0.000 1.316 50 I HN 0.598 nan 8.210 nan 0.000 0.454 51 S N 6.555 122.237 115.700 -0.030 0.000 2.532 51 S HA 0.693 5.163 4.470 -0.001 0.000 0.301 51 S C -0.657 173.985 174.600 0.069 0.000 1.083 51 S CA -0.707 57.524 58.200 0.052 0.000 1.025 51 S CB 1.219 64.531 63.200 0.187 0.000 1.056 51 S HN 0.467 nan 8.310 nan 0.000 0.494 52 R N 2.192 122.779 120.500 0.146 0.000 2.771 52 R HA 0.391 4.731 4.340 -0.001 0.000 0.274 52 R C -1.567 174.884 176.300 0.252 0.000 0.987 52 R CA -0.820 55.359 56.100 0.133 0.000 0.908 52 R CB 1.248 31.585 30.300 0.062 0.000 1.213 52 R HN 0.743 nan 8.270 nan 0.000 0.468 53 D N 0.121 120.646 120.400 0.208 0.000 2.255 53 D HA 0.106 4.745 4.640 -0.001 0.000 0.249 53 D C 0.276 176.628 176.300 0.087 0.000 1.078 53 D CA -0.179 53.950 54.000 0.215 0.000 0.896 53 D CB 1.021 41.927 40.800 0.176 0.000 1.194 53 D HN 0.476 nan 8.370 nan 0.000 0.429 54 D N 1.770 122.194 120.400 0.040 0.000 2.369 54 D HA 0.150 4.790 4.640 -0.001 0.000 0.211 54 D C 1.433 177.712 176.300 -0.035 0.000 1.077 54 D CA 0.178 54.167 54.000 -0.019 0.000 0.842 54 D CB -0.070 40.700 40.800 -0.051 0.000 0.947 54 D HN 0.557 nan 8.370 nan 0.000 0.509 55 G N 0.337 109.126 108.800 -0.019 0.000 2.212 55 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.267 55 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.267 55 G C 1.229 176.093 174.900 -0.060 0.000 1.002 55 G CA 0.490 45.573 45.100 -0.029 0.000 0.729 55 G HN 1.341 nan 8.290 nan 0.000 0.517 56 G N -1.025 107.724 108.800 -0.086 0.000 2.225 56 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.267 56 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.267 56 G C -0.023 174.809 174.900 -0.112 0.000 1.024 56 G CA 1.197 46.230 45.100 -0.111 0.000 0.784 56 G HN 1.573 nan 8.290 nan 0.000 0.507 57 D N -1.302 119.032 120.400 -0.109 0.000 2.502 57 D HA 0.598 5.238 4.640 -0.001 0.000 0.249 57 D C -0.854 175.363 176.300 -0.138 0.000 1.092 57 D CA -2.148 51.791 54.000 -0.100 0.000 0.839 57 D CB 1.704 42.471 40.800 -0.055 0.000 1.264 57 D HN -0.056 nan 8.370 nan 0.000 0.511 58 P HA -0.012 nan 4.420 nan 0.000 0.215 58 P C 1.346 178.579 177.300 -0.112 0.000 1.153 58 P CA 1.052 64.061 63.100 -0.152 0.000 0.853 58 P CB 0.209 31.848 31.700 -0.102 0.000 0.788 59 G N 0.276 109.029 108.800 -0.078 0.000 2.421 59 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 59 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 59 G C 1.493 176.335 174.900 -0.097 0.000 1.171 59 G CA 0.772 45.827 45.100 -0.076 0.000 0.775 59 G HN 0.265 nan 8.290 nan 0.000 0.543 60 K N 0.572 120.921 120.400 -0.085 0.000 2.097 60 K HA 0.078 4.397 4.320 -0.001 0.000 0.206 60 K C 2.931 179.466 176.600 -0.108 0.000 1.049 60 K CA 0.892 57.130 56.287 -0.081 0.000 0.933 60 K CB -0.187 32.279 32.500 -0.056 0.000 0.717 60 K HN 0.272 nan 8.250 nan 0.000 0.442 61 A N 1.066 123.810 122.820 -0.127 0.000 1.902 61 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 61 A C 2.370 179.810 177.584 -0.239 0.000 1.181 61 A CA 1.379 53.325 52.037 -0.152 0.000 0.623 61 A CB -0.617 18.293 19.000 -0.151 0.000 0.818 61 A HN 0.065 nan 8.150 nan 0.000 0.443 62 V N -0.273 119.473 119.914 -0.279 0.000 2.358 62 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 62 V C 2.725 178.514 176.094 -0.508 0.000 1.047 62 V CA 2.405 64.422 62.300 -0.471 0.000 1.035 62 V CB -1.296 30.314 31.823 -0.355 0.000 0.658 62 V HN 0.601 nan 8.190 nan 0.000 0.452 63 T N 0.593 114.975 114.554 -0.287 0.000 2.720 63 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 63 T C 2.071 176.659 174.700 -0.187 0.000 1.037 63 T CA 1.762 63.739 62.100 -0.206 0.000 1.144 63 T CB -0.452 68.346 68.868 -0.117 0.000 0.864 63 T HN 0.581 nan 8.240 nan 0.000 0.444 64 A N 1.428 124.149 122.820 -0.164 0.000 1.902 64 A HA 0.149 4.469 4.320 -0.001 0.000 0.217 64 A C 2.671 180.175 177.584 -0.134 0.000 1.181 64 A CA 1.869 53.840 52.037 -0.109 0.000 0.623 64 A CB -1.154 17.804 19.000 -0.070 0.000 0.818 64 A HN 0.513 nan 8.150 nan 0.000 0.443 65 A N -0.779 121.889 122.820 -0.252 0.000 1.883 65 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 65 A C 2.170 179.660 177.584 -0.157 0.000 1.186 65 A CA 2.246 54.138 52.037 -0.242 0.000 0.624 65 A CB -0.575 18.154 19.000 -0.452 0.000 0.822 65 A HN 0.568 nan 8.150 nan 0.000 0.444 66 Q N -0.131 119.465 119.800 -0.340 0.000 2.084 66 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 66 Q C 2.043 178.056 176.000 0.022 0.000 0.978 66 Q CA 2.089 57.865 55.803 -0.046 0.000 0.844 66 Q CB -0.313 28.363 28.738 -0.103 0.000 0.898 66 Q HN 0.690 nan 8.270 nan 0.000 0.426 67 E N -0.054 120.136 120.200 -0.017 0.000 2.072 67 E HA -0.166 4.184 4.350 -0.001 0.000 0.191 67 E C 1.965 178.624 176.600 0.099 0.000 0.985 67 E CA 1.159 57.579 56.400 0.034 0.000 0.801 67 E CB -0.201 29.516 29.700 0.028 0.000 0.750 67 E HN 0.516 nan 8.360 nan 0.000 0.452 68 L N 0.486 121.760 121.223 0.085 0.000 2.046 68 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 68 L C 2.779 179.715 176.870 0.110 0.000 1.077 68 L CA 0.903 55.812 54.840 0.116 0.000 0.747 68 L CB -0.374 41.712 42.059 0.045 0.000 0.896 68 L HN 0.161 nan 8.230 nan 0.000 0.432 69 L N -0.734 120.545 121.223 0.094 0.000 2.027 69 L HA -0.172 4.168 4.340 -0.001 0.000 0.206 69 L C 2.743 179.638 176.870 0.041 0.000 1.074 69 L CA 1.967 56.853 54.840 0.076 0.000 0.745 69 L CB -0.699 41.433 42.059 0.122 0.000 0.898 69 L HN 0.453 nan 8.230 nan 0.000 0.433 70 T N -3.741 110.839 114.554 0.043 0.000 3.054 70 T HA -0.005 4.345 4.350 -0.001 0.000 0.259 70 T C 1.874 176.552 174.700 -0.037 0.000 1.092 70 T CA 0.232 62.337 62.100 0.008 0.000 1.121 70 T CB 0.063 68.942 68.868 0.018 0.000 0.912 70 T HN 0.240 nan 8.240 nan 0.000 0.489 71 R N -0.543 119.922 120.500 -0.057 0.000 2.250 71 R HA 0.270 4.610 4.340 -0.001 0.000 0.194 71 R C 1.611 177.650 176.300 -0.435 0.000 0.927 71 R CA 0.355 56.324 56.100 -0.218 0.000 1.052 71 R CB 0.252 30.418 30.300 -0.223 0.000 1.055 71 R HN 0.476 nan 8.270 nan 0.000 0.537 72 H N -0.946 118.107 119.070 -0.029 0.000 3.058 72 H HA 0.189 4.744 4.556 -0.000 0.000 0.266 72 H C 0.725 176.004 175.328 -0.083 0.000 1.135 72 H CA 0.598 56.620 56.048 -0.045 0.000 1.174 72 H CB 1.404 31.144 29.762 -0.036 0.000 1.581 72 H HN 0.336 nan 8.280 nan 0.000 0.553 73 G N 2.670 111.462 108.800 -0.013 0.000 2.356 73 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.296 73 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.296 73 G C 0.680 175.452 174.900 -0.213 0.000 1.022 73 G CA 0.561 45.606 45.100 -0.093 0.000 0.961 73 G HN 0.377 nan 8.290 nan 0.000 0.510 74 V N -3.516 116.329 119.914 -0.115 0.000 2.872 74 V HA 0.362 4.481 4.120 -0.001 0.000 0.307 74 V C 1.377 177.374 176.094 -0.162 0.000 1.072 74 V CA 0.923 63.134 62.300 -0.149 0.000 1.148 74 V CB 0.570 32.386 31.823 -0.013 0.000 0.954 74 V HN 0.395 nan 8.190 nan 0.000 0.490 75 H N 2.688 121.811 119.070 0.088 0.000 2.544 75 H HA 0.672 5.228 4.556 -0.001 0.000 0.269 75 H C 0.755 176.222 175.328 0.232 0.000 0.970 75 H CA 0.848 56.991 56.048 0.158 0.000 1.219 75 H CB 0.519 30.378 29.762 0.162 0.000 1.421 75 H HN 1.086 nan 8.280 nan 0.000 0.555 76 A N 0.289 123.285 122.820 0.293 0.000 2.608 76 A HA 0.525 4.845 4.320 -0.001 0.000 0.292 76 A C -1.633 176.063 177.584 0.186 0.000 1.066 76 A CA -0.789 51.390 52.037 0.238 0.000 0.676 76 A CB 0.888 20.044 19.000 0.260 0.000 1.277 76 A HN 0.097 nan 8.150 nan 0.000 0.413 77 L N 0.487 121.839 121.223 0.214 0.000 2.334 77 L HA 0.895 5.234 4.340 -0.001 0.000 0.272 77 L C 0.417 177.498 176.870 0.352 0.000 1.020 77 L CA -0.474 54.517 54.840 0.252 0.000 0.812 77 L CB 1.931 44.140 42.059 0.251 0.000 1.264 77 L HN 1.100 nan 8.230 nan 0.000 0.439 78 A N 0.717 123.735 122.820 0.329 0.000 2.606 78 A HA 0.897 5.216 4.320 -0.001 0.000 0.293 78 A C -0.202 177.588 177.584 0.342 0.000 1.082 78 A CA 0.162 52.359 52.037 0.267 0.000 0.685 78 A CB 1.587 20.627 19.000 0.066 0.000 1.284 78 A HN 1.027 nan 8.150 nan 0.000 0.408 79 G N -0.183 108.793 108.800 0.293 0.000 2.545 79 G HA2 0.511 4.471 3.960 -0.001 0.000 0.211 79 G HA3 0.511 4.471 3.960 -0.001 0.000 0.211 79 G C 0.956 176.019 174.900 0.272 0.000 1.167 79 G CA 1.077 46.354 45.100 0.296 0.000 1.151 79 G HN 3.375 nan 8.290 nan 0.000 0.581 80 T N -3.298 111.375 114.554 0.198 0.000 0.541 80 T HA 0.055 4.405 4.350 -0.001 0.000 0.774 80 T C 0.342 175.050 174.700 0.013 0.000 0.992 80 T CA 1.414 63.580 62.100 0.110 0.000 4.077 80 T CB -0.987 67.983 68.868 0.169 0.000 2.303 80 T HN 2.282 nan 8.240 nan 0.000 0.398 81 F N 1.356 121.194 119.950 -0.187 0.000 2.495 81 F HA 0.530 5.057 4.527 0.000 0.000 0.272 81 F C 0.718 176.378 175.800 -0.234 0.000 0.919 81 F CA -0.534 57.277 58.000 -0.314 0.000 1.178 81 F CB 0.473 39.245 39.000 -0.379 0.000 1.030 81 F HN 0.713 nan 8.300 nan 0.000 0.777 82 L N 1.120 122.434 121.223 0.153 0.000 2.349 82 L HA 0.205 4.545 4.340 -0.001 0.000 0.275 82 L C 1.519 178.498 176.870 0.181 0.000 1.115 82 L CA -0.306 54.663 54.840 0.215 0.000 0.820 82 L CB 1.308 43.520 42.059 0.255 0.000 1.135 82 L HN 0.091 nan 8.230 nan 0.000 0.445 83 S N 0.615 116.498 115.700 0.305 0.000 2.370 83 S HA -0.192 4.278 4.470 -0.001 0.000 0.226 83 S C 1.851 176.614 174.600 0.272 0.000 1.033 83 S CA 1.583 59.910 58.200 0.210 0.000 1.011 83 S CB -0.320 62.980 63.200 0.167 0.000 0.852 83 S HN 0.828 nan 8.310 nan 0.000 0.457 84 H N 0.365 119.558 119.070 0.205 0.000 2.462 84 H HA 0.150 4.706 4.556 -0.001 0.000 0.292 84 H C 1.998 177.381 175.328 0.093 0.000 1.049 84 H CA 1.055 57.190 56.048 0.145 0.000 1.334 84 H CB -1.090 28.775 29.762 0.173 0.000 1.404 84 H HN 0.286 nan 8.280 nan 0.000 0.544 85 V N 1.456 121.169 119.914 -0.335 0.000 2.358 85 V HA -0.117 4.003 4.120 -0.001 0.000 0.246 85 V C 3.000 179.057 176.094 -0.061 0.000 1.047 85 V CA 1.718 63.867 62.300 -0.251 0.000 1.035 85 V CB -1.112 30.557 31.823 -0.257 0.000 0.658 85 V HN 0.642 nan 8.190 nan 0.000 0.452 86 G N -0.084 108.744 108.800 0.047 0.000 2.440 86 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 86 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 86 G C 1.615 176.623 174.900 0.181 0.000 1.154 86 G CA 1.033 46.247 45.100 0.191 0.000 0.767 86 G HN 0.454 nan 8.290 nan 0.000 0.552 87 L N 0.600 121.899 121.223 0.126 0.000 2.046 87 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 87 L C 3.414 180.327 176.870 0.071 0.000 1.077 87 L CA 1.076 55.985 54.840 0.115 0.000 0.747 87 L CB -0.358 41.767 42.059 0.110 0.000 0.896 87 L HN 0.323 nan 8.230 nan 0.000 0.432 88 A N -0.517 122.317 122.820 0.023 0.000 1.898 88 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 88 A C 2.293 179.849 177.584 -0.047 0.000 1.181 88 A CA 1.657 53.689 52.037 -0.009 0.000 0.620 88 A CB -0.764 18.207 19.000 -0.047 0.000 0.819 88 A HN 0.190 nan 8.150 nan 0.000 0.442 89 V N -0.272 119.546 119.914 -0.159 0.000 2.427 89 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 89 V C 2.801 178.696 176.094 -0.331 0.000 1.051 89 V CA 2.213 64.296 62.300 -0.360 0.000 1.048 89 V CB -0.705 30.683 31.823 -0.724 0.000 0.666 89 V HN 0.674 nan 8.190 nan 0.000 0.456 90 S N -0.034 115.587 115.700 -0.132 0.000 2.368 90 S HA -0.272 4.198 4.470 -0.001 0.000 0.225 90 S C 1.853 176.530 174.600 0.128 0.000 1.030 90 S CA 2.116 60.421 58.200 0.174 0.000 0.999 90 S CB -0.400 63.001 63.200 0.336 0.000 0.844 90 S HN 0.713 nan 8.310 nan 0.000 0.459 91 D N -0.424 120.033 120.400 0.095 0.000 2.144 91 D HA -0.095 4.544 4.640 -0.001 0.000 0.200 91 D C 1.668 178.012 176.300 0.073 0.000 0.978 91 D CA 1.110 55.160 54.000 0.083 0.000 0.833 91 D CB -0.353 40.492 40.800 0.074 0.000 0.961 91 D HN 0.483 nan 8.370 nan 0.000 0.470 92 F N 0.961 120.871 119.950 -0.066 0.000 2.102 92 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 92 F C 2.107 177.854 175.800 -0.088 0.000 1.105 92 F CA 1.704 59.654 58.000 -0.084 0.000 1.239 92 F CB -0.572 38.356 39.000 -0.119 0.000 0.991 92 F HN 0.012 nan 8.300 nan 0.000 0.474 93 A N 0.767 123.550 122.820 -0.062 0.000 1.933 93 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 93 A C 2.424 179.886 177.584 -0.202 0.000 1.175 93 A CA 1.742 53.706 52.037 -0.121 0.000 0.628 93 A CB -0.936 18.132 19.000 0.113 0.000 0.814 93 A HN 0.500 nan 8.150 nan 0.000 0.444 94 R N -0.401 120.067 120.500 -0.054 0.000 2.083 94 R HA -0.203 4.137 4.340 -0.001 0.000 0.237 94 R C 2.337 178.525 176.300 -0.187 0.000 1.137 94 R CA 1.990 58.086 56.100 -0.007 0.000 0.951 94 R CB -0.359 30.002 30.300 0.102 0.000 0.851 94 R HN 0.704 nan 8.270 nan 0.000 0.434 95 Q N -0.536 119.137 119.800 -0.212 0.000 2.084 95 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 95 Q C 1.929 177.724 176.000 -0.343 0.000 0.978 95 Q CA 1.161 56.823 55.803 -0.235 0.000 0.844 95 Q CB 0.062 28.673 28.738 -0.212 0.000 0.898 95 Q HN 0.204 nan 8.270 nan 0.000 0.426 96 R N 0.660 120.852 120.500 -0.514 0.000 2.297 96 R HA 0.073 4.413 4.340 -0.001 0.000 0.197 96 R C 0.070 176.096 176.300 -0.457 0.000 0.943 96 R CA 0.223 56.028 56.100 -0.491 0.000 1.038 96 R CB 0.087 29.994 30.300 -0.654 0.000 0.957 96 R HN 0.214 nan 8.270 nan 0.000 0.484 97 K N 0.386 120.375 120.400 -0.685 0.000 3.244 97 K HA -0.139 4.181 4.320 -0.001 0.000 0.270 97 K C -0.610 175.544 176.600 -0.744 0.000 1.016 97 K CA 0.545 56.118 56.287 -1.189 0.000 0.754 97 K CB -1.629 30.498 32.500 -0.622 0.000 1.326 97 K HN 0.036 nan 8.250 nan 0.000 0.465 98 V N 1.137 120.747 119.914 -0.508 0.000 2.735 98 V HA 0.470 4.590 4.120 -0.001 0.000 0.310 98 V C -0.490 175.673 176.094 0.115 0.000 1.061 98 V CA -1.266 60.975 62.300 -0.098 0.000 0.913 98 V CB 1.807 33.598 31.823 -0.053 0.000 1.005 98 V HN 0.303 nan 8.190 nan 0.000 0.428 99 L N 6.348 127.691 121.223 0.200 0.000 2.540 99 L HA 0.335 4.675 4.340 -0.001 0.000 0.276 99 L C -0.906 176.130 176.870 0.277 0.000 1.212 99 L CA 0.751 55.727 54.840 0.226 0.000 0.893 99 L CB 0.323 42.417 42.059 0.059 0.000 1.138 99 L HN 0.652 nan 8.230 nan 0.000 0.491 100 F N 7.125 127.154 119.950 0.131 0.000 2.445 100 F HA 0.491 5.018 4.527 -0.000 0.000 0.348 100 F C -0.613 175.243 175.800 0.093 0.000 1.125 100 F CA -1.465 56.598 58.000 0.106 0.000 0.983 100 F CB 1.414 40.488 39.000 0.124 0.000 1.198 100 F HN 0.568 nan 8.300 nan 0.000 0.436 101 M N 6.878 126.338 119.600 -0.233 0.000 2.206 101 M HA 0.618 5.097 4.480 -0.001 0.000 0.353 101 M C -0.696 175.233 176.300 -0.619 0.000 1.242 101 M CA -0.272 54.803 55.300 -0.376 0.000 1.179 101 M CB 0.019 32.487 32.600 -0.220 0.000 1.374 101 M HN 0.627 nan 8.290 nan 0.000 0.427 102 A N 3.574 125.846 122.820 -0.914 0.000 2.450 102 A HA 0.471 4.790 4.320 -0.001 0.000 0.255 102 A C 0.884 178.359 177.584 -0.182 0.000 1.096 102 A CA 0.282 51.916 52.037 -0.673 0.000 0.778 102 A CB -0.115 18.566 19.000 -0.532 0.000 1.031 102 A HN 1.013 nan 8.150 nan 0.000 0.494 103 S N 1.593 117.273 115.700 -0.032 0.000 2.357 103 S HA -0.003 4.467 4.470 -0.001 0.000 0.209 103 S C 1.422 176.048 174.600 0.044 0.000 1.023 103 S CA 0.977 59.241 58.200 0.106 0.000 0.933 103 S CB -0.383 63.007 63.200 0.317 0.000 0.897 103 S HN 0.707 nan 8.310 nan 0.000 0.529 104 E N 2.690 122.852 120.200 -0.064 0.000 2.431 104 E HA 0.292 4.642 4.350 -0.001 0.000 0.200 104 E C -2.299 174.046 176.600 -0.425 0.000 0.995 104 E CA -1.248 54.991 56.400 -0.268 0.000 0.915 104 E CB -0.290 29.100 29.700 -0.516 0.000 0.930 104 E HN 0.450 nan 8.360 nan 0.000 0.496 105 P HA 0.016 nan 4.420 nan 0.000 0.271 105 P C 0.273 177.448 177.300 -0.209 0.000 1.216 105 P CA 0.420 63.355 63.100 -0.274 0.000 0.771 105 P CB 1.322 32.971 31.700 -0.085 0.000 0.864 106 L N 0.902 121.988 121.223 -0.228 0.000 2.556 106 L HA 0.107 4.447 4.340 -0.001 0.000 0.226 106 L C 1.554 178.408 176.870 -0.027 0.000 1.089 106 L CA 0.286 55.055 54.840 -0.119 0.000 0.864 106 L CB -0.294 41.697 42.059 -0.112 0.000 1.067 106 L HN 0.387 nan 8.230 nan 0.000 0.477 107 T N 0.662 115.218 114.554 0.004 0.000 2.934 107 T HA -0.068 4.282 4.350 -0.001 0.000 0.306 107 T C 1.009 175.654 174.700 -0.092 0.000 1.042 107 T CA 0.071 62.170 62.100 -0.003 0.000 1.145 107 T CB 0.709 69.588 68.868 0.018 0.000 0.982 107 T HN 0.445 nan 8.240 nan 0.000 0.544 108 D N 3.802 124.111 120.400 -0.151 0.000 2.350 108 D HA 0.012 4.651 4.640 -0.001 0.000 0.216 108 D C 1.937 178.104 176.300 -0.221 0.000 0.968 108 D CA 0.974 54.748 54.000 -0.377 0.000 0.894 108 D CB -0.233 40.200 40.800 -0.612 0.000 0.909 108 D HN 0.545 nan 8.370 nan 0.000 0.520 109 A N 0.521 123.306 122.820 -0.058 0.000 2.019 109 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 109 A C 2.197 179.790 177.584 0.017 0.000 1.164 109 A CA 0.790 52.838 52.037 0.018 0.000 0.644 109 A CB -0.834 18.184 19.000 0.029 0.000 0.805 109 A HN 0.359 nan 8.150 nan 0.000 0.449 110 L N -0.332 120.879 121.223 -0.019 0.000 2.191 110 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 110 L C 2.575 179.429 176.870 -0.026 0.000 1.103 110 L CA 1.724 56.567 54.840 0.004 0.000 0.769 110 L CB -0.252 41.810 42.059 0.004 0.000 0.908 110 L HN 0.678 nan 8.230 nan 0.000 0.438 111 T N -6.663 107.829 114.554 -0.102 0.000 2.971 111 T HA 0.039 4.388 4.350 -0.001 0.000 0.252 111 T C 1.017 175.803 174.700 0.144 0.000 1.022 111 T CA -0.448 61.596 62.100 -0.094 0.000 0.980 111 T CB 0.096 68.816 68.868 -0.246 0.000 1.044 111 T HN 0.123 nan 8.240 nan 0.000 0.501 112 W N 1.647 122.961 121.300 0.022 0.000 4.389 112 W HA 0.529 5.188 4.660 -0.001 0.000 0.235 112 W C 2.253 178.796 176.519 0.040 0.000 3.208 112 W CA -0.518 56.871 57.345 0.072 0.000 1.549 112 W CB -0.650 28.888 29.460 0.130 0.000 2.019 112 W HN 0.163 nan 8.180 nan 0.000 0.401 113 E N 0.609 120.978 120.200 0.281 0.000 2.097 113 E HA -0.216 4.134 4.350 -0.001 0.000 0.196 113 E C 0.865 177.520 176.600 0.092 0.000 1.000 113 E CA 1.665 58.142 56.400 0.128 0.000 0.804 113 E CB -0.107 29.630 29.700 0.061 0.000 0.740 113 E HN 0.117 nan 8.360 nan 0.000 0.454 114 K N -0.013 120.439 120.400 0.087 0.000 2.514 114 K HA 0.207 4.526 4.320 -0.001 0.000 0.207 114 K C 0.144 176.780 176.600 0.060 0.000 1.035 114 K CA -0.105 56.221 56.287 0.065 0.000 1.113 114 K CB 1.322 33.859 32.500 0.062 0.000 0.846 114 K HN 0.043 nan 8.250 nan 0.000 0.491 115 G N 1.860 110.694 108.800 0.057 0.000 2.554 115 G HA2 0.083 4.043 3.960 -0.001 0.000 0.238 115 G HA3 0.083 4.043 3.960 -0.001 0.000 0.238 115 G C -0.194 174.689 174.900 -0.029 0.000 1.259 115 G CA -0.166 44.933 45.100 -0.001 0.000 0.843 115 G HN 0.450 nan 8.290 nan 0.000 0.582 116 N N -1.517 117.143 118.700 -0.066 0.000 2.934 116 N HA 0.224 4.963 4.740 -0.001 0.000 0.253 116 N C 0.777 176.225 175.510 -0.103 0.000 1.466 116 N CA -0.988 52.037 53.050 -0.042 0.000 0.858 116 N CB 1.274 39.811 38.487 0.083 0.000 1.459 116 N HN 0.414 nan 8.380 nan 0.000 0.532 117 R N -1.010 119.426 120.500 -0.107 0.000 2.127 117 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 117 R C 0.150 176.296 176.300 -0.256 0.000 1.134 117 R CA 1.685 57.645 56.100 -0.234 0.000 0.975 117 R CB -0.286 29.704 30.300 -0.516 0.000 0.865 117 R HN 0.715 nan 8.270 nan 0.000 0.447 118 Y N -0.775 119.602 120.300 0.129 0.000 2.457 118 Y HA 0.242 4.792 4.550 -0.000 0.000 0.263 118 Y C 0.109 176.129 175.900 0.200 0.000 1.164 118 Y CA 0.086 58.277 58.100 0.152 0.000 1.274 118 Y CB 0.906 39.430 38.460 0.107 0.000 1.097 118 Y HN -0.138 nan 8.280 nan 0.000 0.523 119 T N 0.781 115.481 114.554 0.244 0.000 2.779 119 T HA 0.433 4.783 4.350 -0.001 0.000 0.280 119 T C -1.152 173.548 174.700 -0.001 0.000 0.987 119 T CA -0.364 61.849 62.100 0.188 0.000 0.966 119 T CB 0.625 69.617 68.868 0.206 0.000 0.933 119 T HN -0.077 nan 8.240 nan 0.000 0.442 120 Y N 1.305 121.555 120.300 -0.083 0.000 2.562 120 Y HA 0.738 5.288 4.550 -0.001 0.000 0.343 120 Y C 0.490 176.318 175.900 -0.120 0.000 1.025 120 Y CA -1.253 56.774 58.100 -0.122 0.000 1.082 120 Y CB 1.667 39.841 38.460 -0.477 0.000 1.264 120 Y HN 0.273 nan 8.280 nan 0.000 0.478 121 R N 2.104 122.738 120.500 0.223 0.000 2.584 121 R HA 0.275 4.615 4.340 -0.001 0.000 0.276 121 R C -0.824 175.644 176.300 0.280 0.000 1.046 121 R CA -0.460 55.719 56.100 0.132 0.000 0.906 121 R CB 2.100 32.406 30.300 0.010 0.000 1.215 121 R HN 0.833 nan 8.270 nan 0.000 0.449 122 L N 2.924 124.272 121.223 0.209 0.000 2.062 122 L HA 0.282 4.621 4.340 -0.001 0.000 0.202 122 L C 0.750 177.672 176.870 0.087 0.000 1.079 122 L CA 1.181 56.136 54.840 0.190 0.000 0.755 122 L CB -0.232 41.948 42.059 0.202 0.000 0.913 122 L HN 0.484 nan 8.230 nan 0.000 0.445 123 R N 1.362 121.899 120.500 0.062 0.000 2.694 123 R HA 0.178 4.518 4.340 -0.001 0.000 0.268 123 R C -2.196 174.106 176.300 0.004 0.000 1.061 123 R CA -1.647 54.474 56.100 0.036 0.000 1.133 123 R CB -0.500 29.811 30.300 0.018 0.000 1.020 123 R HN 0.187 nan 8.270 nan 0.000 0.475 124 P HA -0.033 nan 4.420 nan 0.000 0.267 124 P C -0.129 177.168 177.300 -0.005 0.000 1.205 124 P CA 0.097 63.194 63.100 -0.005 0.000 0.765 124 P CB 0.641 32.337 31.700 -0.006 0.000 0.828 125 S N 1.659 117.344 115.700 -0.024 0.000 2.634 125 S HA 0.097 4.566 4.470 -0.001 0.000 0.261 125 S C 1.735 176.353 174.600 0.030 0.000 1.271 125 S CA 0.346 58.520 58.200 -0.043 0.000 0.985 125 S CB -0.602 62.499 63.200 -0.165 0.000 0.968 125 S HN 0.595 nan 8.310 nan 0.000 0.568 126 T N -1.390 113.191 114.554 0.045 0.000 2.665 126 T HA -0.281 4.069 4.350 -0.001 0.000 0.268 126 T C 1.542 176.293 174.700 0.086 0.000 1.035 126 T CA 1.859 64.005 62.100 0.077 0.000 1.151 126 T CB -1.257 67.634 68.868 0.039 0.000 0.862 126 T HN 0.708 nan 8.240 nan 0.000 0.438 127 Y N 1.906 122.182 120.300 -0.040 0.000 2.128 127 Y HA -0.123 4.426 4.550 -0.002 0.000 0.284 127 Y C 2.626 178.559 175.900 0.054 0.000 1.154 127 Y CA 1.727 59.847 58.100 0.032 0.000 1.149 127 Y CB -0.404 38.101 38.460 0.074 0.000 0.976 127 Y HN 0.132 nan 8.280 nan 0.000 0.505 128 M N -0.138 119.610 119.600 0.247 0.000 2.086 128 M HA -0.284 4.196 4.480 -0.001 0.000 0.261 128 M C 2.210 178.541 176.300 0.051 0.000 1.067 128 M CA 2.011 57.413 55.300 0.170 0.000 1.116 128 M CB -0.385 32.287 32.600 0.120 0.000 1.348 128 M HN 0.325 nan 8.290 nan 0.000 0.407 129 Q N -0.180 119.657 119.800 0.061 0.000 2.172 129 Q HA -0.053 4.287 4.340 -0.001 0.000 0.200 129 Q C 2.283 178.334 176.000 0.085 0.000 0.964 129 Q CA 1.361 57.212 55.803 0.079 0.000 0.855 129 Q CB -0.233 28.575 28.738 0.117 0.000 0.918 129 Q HN 0.586 nan 8.270 nan 0.000 0.444 130 A N 1.283 124.134 122.820 0.051 0.000 1.933 130 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 130 A C 2.306 179.850 177.584 -0.067 0.000 1.175 130 A CA 1.475 53.537 52.037 0.042 0.000 0.628 130 A CB -0.599 18.387 19.000 -0.024 0.000 0.814 130 A HN 0.377 nan 8.150 nan 0.000 0.444 131 A N -0.354 122.355 122.820 -0.185 0.000 1.902 131 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 131 A C 2.243 179.783 177.584 -0.072 0.000 1.181 131 A CA 1.816 53.734 52.037 -0.199 0.000 0.623 131 A CB -0.550 18.321 19.000 -0.215 0.000 0.818 131 A HN 0.539 nan 8.150 nan 0.000 0.443 132 M N -0.710 118.882 119.600 -0.013 0.000 2.086 132 M HA -0.110 4.370 4.480 -0.001 0.000 0.261 132 M C 2.089 178.430 176.300 0.069 0.000 1.067 132 M CA 1.484 56.800 55.300 0.027 0.000 1.116 132 M CB -0.485 32.141 32.600 0.043 0.000 1.348 132 M HN 0.354 nan 8.290 nan 0.000 0.407 133 L N -0.560 120.735 121.223 0.120 0.000 2.131 133 L HA -0.055 4.285 4.340 -0.001 0.000 0.206 133 L C 2.839 179.834 176.870 0.208 0.000 1.087 133 L CA 0.781 55.746 54.840 0.208 0.000 0.767 133 L CB -0.829 41.411 42.059 0.302 0.000 0.917 133 L HN 0.274 nan 8.230 nan 0.000 0.441 134 A N 0.302 123.161 122.820 0.065 0.000 1.933 134 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 134 A C 2.542 180.026 177.584 -0.166 0.000 1.175 134 A CA 1.680 53.558 52.037 -0.265 0.000 0.628 134 A CB -0.643 18.062 19.000 -0.493 0.000 0.814 134 A HN 0.382 nan 8.150 nan 0.000 0.444 135 A N -0.362 122.410 122.820 -0.079 0.000 1.933 135 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 135 A C 1.954 179.542 177.584 0.007 0.000 1.175 135 A CA 1.725 53.736 52.037 -0.042 0.000 0.628 135 A CB -0.387 18.601 19.000 -0.020 0.000 0.814 135 A HN 0.471 nan 8.150 nan 0.000 0.444 136 E N -0.043 120.189 120.200 0.054 0.000 2.047 136 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 136 E C 2.374 179.048 176.600 0.123 0.000 0.987 136 E CA 1.231 57.691 56.400 0.101 0.000 0.799 136 E CB -0.704 29.083 29.700 0.144 0.000 0.752 136 E HN 0.565 nan 8.360 nan 0.000 0.449 137 A N 1.587 124.476 122.820 0.115 0.000 1.940 137 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 137 A C 2.393 180.035 177.584 0.098 0.000 1.176 137 A CA 1.975 54.096 52.037 0.140 0.000 0.631 137 A CB -0.540 18.369 19.000 -0.151 0.000 0.814 137 A HN 0.255 nan 8.150 nan 0.000 0.446 138 A N -0.325 122.482 122.820 -0.023 0.000 2.070 138 A HA -0.114 4.206 4.320 -0.001 0.000 0.220 138 A C 1.949 179.556 177.584 0.038 0.000 1.159 138 A CA 1.618 53.642 52.037 -0.022 0.000 0.656 138 A CB -0.348 18.609 19.000 -0.073 0.000 0.800 138 A HN 0.578 nan 8.150 nan 0.000 0.453 139 K N -0.630 119.808 120.400 0.064 0.000 2.459 139 K HA 0.224 4.544 4.320 -0.001 0.000 0.193 139 K C -0.294 176.359 176.600 0.089 0.000 1.030 139 K CA -0.011 56.316 56.287 0.067 0.000 1.026 139 K CB -0.037 32.502 32.500 0.065 0.000 0.809 139 K HN 0.416 nan 8.250 nan 0.000 0.504 140 L N 3.177 124.481 121.223 0.135 0.000 2.305 140 L HA 0.183 4.522 4.340 -0.001 0.000 0.281 140 L C -1.850 175.086 176.870 0.109 0.000 1.085 140 L CA -1.866 53.058 54.840 0.140 0.000 0.813 140 L CB 0.606 42.798 42.059 0.221 0.000 1.157 140 L HN -0.136 nan 8.230 nan 0.000 0.436 141 P HA 0.170 nan 4.420 nan 0.000 0.220 141 P C -0.708 176.601 177.300 0.014 0.000 1.778 141 P CA 0.158 63.280 63.100 0.037 0.000 0.912 141 P CB -0.473 31.241 31.700 0.023 0.000 1.861 142 I N -3.256 117.328 120.570 0.023 0.000 3.042 142 I HA 0.610 4.780 4.170 -0.001 0.000 0.310 142 I C 0.632 176.757 176.117 0.013 0.000 1.117 142 I CA -0.933 60.338 61.300 -0.048 0.000 1.003 142 I CB 2.365 40.254 38.000 -0.185 0.000 1.228 142 I HN -0.259 nan 8.210 nan 0.000 0.443 143 T N -1.005 113.519 114.554 -0.050 0.000 2.966 143 T HA 0.350 4.700 4.350 -0.001 0.000 0.254 143 T C 0.704 175.392 174.700 -0.020 0.000 0.961 143 T CA -0.253 61.861 62.100 0.025 0.000 0.915 143 T CB 0.014 68.885 68.868 0.005 0.000 1.186 143 T HN 0.626 nan 8.240 nan 0.000 0.505 144 R N 0.796 121.181 120.500 -0.191 0.000 2.198 144 R HA 0.496 4.836 4.340 -0.001 0.000 0.339 144 R C -1.608 174.472 176.300 -0.366 0.000 1.020 144 R CA -0.530 55.454 56.100 -0.193 0.000 0.864 144 R CB 0.575 30.786 30.300 -0.149 0.000 1.105 144 R HN 0.328 nan 8.270 nan 0.000 0.463 145 W N 1.691 122.832 121.300 -0.264 0.000 2.666 145 W HA 0.618 5.277 4.660 -0.001 0.000 0.334 145 W C -0.352 176.161 176.519 -0.009 0.000 1.051 145 W CA -0.468 56.761 57.345 -0.194 0.000 1.224 145 W CB 1.906 31.103 29.460 -0.440 0.000 1.405 145 W HN 0.509 nan 8.180 nan 0.000 0.513 146 A N 1.362 124.378 122.820 0.326 0.000 2.374 146 A HA 0.874 5.194 4.320 -0.001 0.000 0.317 146 A C -0.428 177.350 177.584 0.324 0.000 1.094 146 A CA -0.648 51.561 52.037 0.287 0.000 0.765 146 A CB 1.107 20.186 19.000 0.132 0.000 1.268 146 A HN 0.518 nan 8.150 nan 0.000 0.438 147 T N -0.840 113.837 114.554 0.204 0.000 2.912 147 T HA 0.740 5.090 4.350 -0.001 0.000 0.288 147 T C -0.509 174.054 174.700 -0.229 0.000 1.030 147 T CA -0.533 61.600 62.100 0.055 0.000 1.020 147 T CB 1.265 70.169 68.868 0.062 0.000 1.056 147 T HN 1.054 nan 8.240 nan 0.000 0.480 148 I N 1.091 121.443 120.570 -0.365 0.000 2.607 148 I HA 0.710 4.880 4.170 -0.001 0.000 0.290 148 I C -1.454 174.329 176.117 -0.557 0.000 1.129 148 I CA -0.752 60.241 61.300 -0.511 0.000 1.042 148 I CB 1.405 39.104 38.000 -0.502 0.000 1.242 148 I HN 1.190 nan 8.210 nan 0.000 0.421 149 A N 7.843 130.326 122.820 -0.562 0.000 2.604 149 A HA 0.821 5.141 4.320 -0.001 0.000 0.295 149 A C -3.076 174.480 177.584 -0.047 0.000 1.067 149 A CA -1.209 50.622 52.037 -0.343 0.000 0.683 149 A CB 1.826 20.591 19.000 -0.390 0.000 1.281 149 A HN 0.386 nan 8.150 nan 0.000 0.407 150 P HA 0.093 nan 4.420 nan 0.000 0.271 150 P C -0.710 176.868 177.300 0.463 0.000 1.216 150 P CA -0.043 63.241 63.100 0.307 0.000 0.771 150 P CB 0.546 32.515 31.700 0.447 0.000 0.864 151 N N 3.334 122.298 118.700 0.439 0.000 2.968 151 N HA 0.122 4.861 4.740 -0.001 0.000 0.271 151 N C -0.803 174.870 175.510 0.272 0.000 1.174 151 N CA -0.296 52.971 53.050 0.361 0.000 1.096 151 N CB -1.092 37.550 38.487 0.259 0.000 1.403 151 N HN 0.434 nan 8.380 nan 0.000 0.522 152 Y N -1.265 119.053 120.300 0.030 0.000 2.853 152 Y HA 0.379 4.929 4.550 0.000 0.000 0.326 152 Y C 1.289 177.177 175.900 -0.020 0.000 1.384 152 Y CA -1.024 57.029 58.100 -0.078 0.000 1.077 152 Y CB 0.465 38.808 38.460 -0.194 0.000 1.395 152 Y HN 0.036 nan 8.280 nan 0.000 0.451 153 E N 0.784 120.892 120.200 -0.153 0.000 2.108 153 E HA -0.298 4.051 4.350 -0.001 0.000 0.203 153 E C 1.635 178.066 176.600 -0.282 0.000 1.022 153 E CA 2.770 59.079 56.400 -0.152 0.000 0.823 153 E CB -0.608 29.111 29.700 0.032 0.000 0.744 153 E HN 0.710 nan 8.360 nan 0.000 0.456 154 Y N 0.109 119.954 120.300 -0.758 0.000 2.114 154 Y HA -0.062 4.488 4.550 -0.001 0.000 0.284 154 Y C 2.230 177.927 175.900 -0.338 0.000 1.143 154 Y CA 2.357 60.130 58.100 -0.544 0.000 1.135 154 Y CB -0.948 37.139 38.460 -0.623 0.000 0.980 154 Y HN 0.095 nan 8.280 nan 0.000 0.499 155 G N -0.522 107.915 108.800 -0.606 0.000 2.422 155 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 155 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 155 G C 1.454 176.373 174.900 0.032 0.000 1.146 155 G CA 0.868 45.800 45.100 -0.280 0.000 0.769 155 G HN 0.519 nan 8.290 nan 0.000 0.547 156 Q N 0.179 119.982 119.800 0.005 0.000 2.050 156 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 156 Q C 2.862 178.861 176.000 -0.002 0.000 0.980 156 Q CA 1.612 57.413 55.803 -0.004 0.000 0.840 156 Q CB -0.275 28.345 28.738 -0.197 0.000 0.898 156 Q HN 0.483 nan 8.270 nan 0.000 0.424 157 S N 0.047 115.699 115.700 -0.080 0.000 2.356 157 S HA -0.170 4.300 4.470 -0.001 0.000 0.223 157 S C 2.009 176.586 174.600 -0.039 0.000 1.032 157 S CA 1.105 59.273 58.200 -0.052 0.000 1.005 157 S CB -0.303 62.866 63.200 -0.051 0.000 0.867 157 S HN 0.450 nan 8.310 nan 0.000 0.449 158 A N 0.839 123.583 122.820 -0.127 0.000 1.883 158 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 158 A C 2.366 180.020 177.584 0.117 0.000 1.186 158 A CA 2.013 54.017 52.037 -0.056 0.000 0.624 158 A CB -1.143 17.697 19.000 -0.267 0.000 0.822 158 A HN 0.470 nan 8.150 nan 0.000 0.444 159 V N -0.295 119.708 119.914 0.149 0.000 2.307 159 V HA -0.203 3.916 4.120 -0.001 0.000 0.245 159 V C 3.066 179.177 176.094 0.029 0.000 1.045 159 V CA 1.840 64.248 62.300 0.180 0.000 1.024 159 V CB -1.249 30.699 31.823 0.209 0.000 0.651 159 V HN 0.629 nan 8.190 nan 0.000 0.449 160 A N 0.046 122.886 122.820 0.033 0.000 1.908 160 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 160 A C 2.335 179.870 177.584 -0.081 0.000 1.181 160 A CA 1.698 53.710 52.037 -0.041 0.000 0.627 160 A CB -0.441 18.542 19.000 -0.027 0.000 0.818 160 A HN 0.406 nan 8.150 nan 0.000 0.445 161 R N -1.573 118.902 120.500 -0.043 0.000 2.073 161 R HA -0.035 4.305 4.340 -0.001 0.000 0.229 161 R C 1.908 178.099 176.300 -0.182 0.000 1.120 161 R CA 1.278 57.335 56.100 -0.072 0.000 0.967 161 R CB -1.419 28.871 30.300 -0.017 0.000 0.862 161 R HN 0.626 nan 8.270 nan 0.000 0.436 162 F N 2.354 122.083 119.950 -0.368 0.000 2.095 162 F HA -0.201 4.327 4.527 0.002 0.000 0.298 162 F C 2.040 177.552 175.800 -0.479 0.000 1.104 162 F CA 1.641 59.290 58.000 -0.584 0.000 1.232 162 F CB -0.024 38.240 39.000 -1.227 0.000 0.987 162 F HN -0.101 nan 8.300 nan 0.000 0.475 163 K N 0.114 120.245 120.400 -0.448 0.000 2.026 163 K HA -0.209 4.111 4.320 -0.001 0.000 0.208 163 K C 2.043 178.436 176.600 -0.345 0.000 1.048 163 K CA 2.010 57.944 56.287 -0.588 0.000 0.929 163 K CB -0.379 31.673 32.500 -0.748 0.000 0.713 163 K HN 0.377 nan 8.250 nan 0.000 0.439 164 E N 0.789 120.831 120.200 -0.264 0.000 2.038 164 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 164 E C 2.081 178.567 176.600 -0.191 0.000 1.000 164 E CA 1.263 57.561 56.400 -0.171 0.000 0.803 164 E CB -0.089 29.544 29.700 -0.110 0.000 0.750 164 E HN 0.209 nan 8.360 nan 0.000 0.448 165 L N 0.242 121.299 121.223 -0.276 0.000 2.109 165 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 165 L C 2.462 179.130 176.870 -0.336 0.000 1.086 165 L CA 0.206 54.874 54.840 -0.287 0.000 0.760 165 L CB -0.243 41.606 42.059 -0.349 0.000 0.910 165 L HN 0.180 nan 8.230 nan 0.000 0.437 166 L N -0.096 120.819 121.223 -0.513 0.000 2.027 166 L HA -0.157 4.183 4.340 -0.001 0.000 0.206 166 L C 2.279 178.990 176.870 -0.265 0.000 1.074 166 L CA 1.696 56.228 54.840 -0.513 0.000 0.745 166 L CB -0.427 41.102 42.059 -0.884 0.000 0.898 166 L HN 0.090 nan 8.230 nan 0.000 0.433 167 L N -0.628 120.498 121.223 -0.162 0.000 2.131 167 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 167 L C 2.622 179.451 176.870 -0.069 0.000 1.092 167 L CA 1.091 55.895 54.840 -0.061 0.000 0.759 167 L CB -0.800 41.261 42.059 0.003 0.000 0.903 167 L HN 0.387 nan 8.230 nan 0.000 0.435 168 A N -0.127 122.639 122.820 -0.089 0.000 1.933 168 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 168 A C 2.466 180.013 177.584 -0.062 0.000 1.175 168 A CA 1.748 53.747 52.037 -0.063 0.000 0.628 168 A CB -0.583 18.383 19.000 -0.058 0.000 0.814 168 A HN 0.407 nan 8.150 nan 0.000 0.444 169 A N -1.601 121.165 122.820 -0.090 0.000 1.970 169 A HA 0.110 4.430 4.320 -0.001 0.000 0.216 169 A C 1.252 178.801 177.584 -0.059 0.000 1.170 169 A CA 0.536 52.527 52.037 -0.076 0.000 0.645 169 A CB 0.095 19.035 19.000 -0.100 0.000 0.816 169 A HN 0.258 nan 8.150 nan 0.000 0.447 170 R N -0.939 119.520 120.500 -0.068 0.000 2.629 170 R HA 0.245 4.585 4.340 -0.001 0.000 0.275 170 R C -2.713 173.567 176.300 -0.033 0.000 1.719 170 R CA -1.532 54.541 56.100 -0.045 0.000 1.472 170 R CB 0.633 30.904 30.300 -0.048 0.000 1.237 170 R HN 0.143 nan 8.270 nan 0.000 0.589 171 P HA -0.159 nan 4.420 nan 0.000 0.225 171 P C 1.103 178.404 177.300 0.003 0.000 1.148 171 P CA 0.982 64.078 63.100 -0.007 0.000 0.779 171 P CB 0.408 32.105 31.700 -0.005 0.000 0.780 172 E N -0.451 119.749 120.200 0.001 0.000 2.481 172 E HA -0.005 4.344 4.350 -0.001 0.000 0.195 172 E C 0.422 177.025 176.600 0.006 0.000 1.047 172 E CA 0.213 56.617 56.400 0.006 0.000 0.867 172 E CB -0.725 28.978 29.700 0.005 0.000 0.858 172 E HN 0.018 nan 8.360 nan 0.000 0.513 173 V N 2.789 122.701 119.914 -0.004 0.000 2.763 173 V HA 0.051 4.171 4.120 -0.001 0.000 0.306 173 V C 0.600 176.673 176.094 -0.036 0.000 1.059 173 V CA 0.946 63.230 62.300 -0.028 0.000 1.138 173 V CB 0.977 32.741 31.823 -0.099 0.000 0.940 173 V HN 0.476 nan 8.190 nan 0.000 0.489 174 T N 2.262 116.772 114.554 -0.073 0.000 2.876 174 T HA 0.657 5.007 4.350 -0.001 0.000 0.289 174 T C -0.946 173.668 174.700 -0.144 0.000 1.014 174 T CA -0.552 61.533 62.100 -0.024 0.000 0.986 174 T CB 1.219 70.102 68.868 0.024 0.000 1.021 174 T HN 0.151 nan 8.240 nan 0.000 0.458 175 F N 2.610 122.635 119.950 0.125 0.000 2.334 175 F HA 0.385 4.911 4.527 -0.002 0.000 0.367 175 F C 1.388 177.255 175.800 0.111 0.000 1.115 175 F CA -0.906 57.184 58.000 0.150 0.000 1.116 175 F CB 1.575 40.651 39.000 0.128 0.000 1.230 175 F HN 0.594 nan 8.300 nan 0.000 0.484 176 V N 0.772 120.804 119.914 0.197 0.000 3.590 176 V HA 0.670 4.790 4.120 -0.001 0.000 0.265 176 V C 0.597 176.763 176.094 0.121 0.000 1.239 176 V CA 0.585 62.958 62.300 0.121 0.000 1.117 176 V CB -0.452 31.403 31.823 0.054 0.000 0.818 176 V HN 0.641 nan 8.190 nan 0.000 0.451 177 A N 0.883 123.796 122.820 0.155 0.000 2.605 177 A HA 0.746 5.066 4.320 -0.001 0.000 0.294 177 A C -1.051 176.602 177.584 0.115 0.000 1.062 177 A CA -0.372 51.734 52.037 0.115 0.000 0.682 177 A CB 1.341 20.384 19.000 0.071 0.000 1.278 177 A HN 0.634 nan 8.150 nan 0.000 0.410 178 E N 1.479 121.717 120.200 0.063 0.000 2.275 178 E HA 0.648 4.997 4.350 -0.001 0.000 0.270 178 E C -1.446 175.059 176.600 -0.158 0.000 0.882 178 E CA -1.012 55.348 56.400 -0.067 0.000 0.758 178 E CB 1.875 31.618 29.700 0.072 0.000 1.195 178 E HN 0.379 nan 8.360 nan 0.000 0.419 179 Q N 2.436 122.001 119.800 -0.392 0.000 2.337 179 Q HA 0.296 4.636 4.340 -0.001 0.000 0.266 179 Q C -1.444 174.227 176.000 -0.547 0.000 1.023 179 Q CA -0.429 55.195 55.803 -0.298 0.000 0.829 179 Q CB 1.953 30.587 28.738 -0.173 0.000 1.306 179 Q HN 0.808 nan 8.270 nan 0.000 0.449 180 W N 3.574 124.871 121.300 -0.006 0.000 1.683 180 W HA 0.262 4.921 4.660 -0.001 0.000 0.295 180 W C -1.923 174.598 176.519 0.003 0.000 0.865 180 W CA -1.258 56.083 57.345 -0.006 0.000 2.079 180 W CB 1.113 30.573 29.460 0.000 0.000 2.263 180 W HN 0.347 nan 8.180 nan 0.000 0.427 181 P HA 0.159 nan 4.420 nan 0.000 0.269 181 P C 0.241 177.627 177.300 0.144 0.000 1.209 181 P CA 0.155 63.320 63.100 0.107 0.000 0.776 181 P CB 1.005 32.728 31.700 0.039 0.000 0.876 182 A N 3.215 126.102 122.820 0.111 0.000 2.445 182 A HA 0.149 4.469 4.320 -0.001 0.000 0.242 182 A C 0.314 177.953 177.584 0.091 0.000 1.075 182 A CA -0.434 51.662 52.037 0.099 0.000 0.777 182 A CB -0.376 18.661 19.000 0.061 0.000 1.013 182 A HN 0.640 nan 8.150 nan 0.000 0.493 183 L N 2.526 123.794 121.223 0.075 0.000 2.601 183 L HA 0.034 4.373 4.340 -0.001 0.000 0.277 183 L C 0.380 177.314 176.870 0.107 0.000 1.219 183 L CA 1.308 56.169 54.840 0.035 0.000 0.915 183 L CB -1.232 40.712 42.059 -0.191 0.000 1.160 183 L HN 0.789 nan 8.230 nan 0.000 0.494 184 Y N 2.361 122.586 120.300 -0.125 0.000 4.604 184 Y HA -0.309 4.241 4.550 -0.001 0.000 0.230 184 Y C 0.841 176.706 175.900 -0.059 0.000 1.066 184 Y CA 0.826 58.861 58.100 -0.109 0.000 1.990 184 Y CB -0.670 37.724 38.460 -0.111 0.000 1.619 184 Y HN 0.644 nan 8.280 nan 0.000 0.649 185 K N 0.692 121.138 120.400 0.077 0.000 3.012 185 K HA 0.224 4.544 4.320 -0.001 0.000 0.207 185 K C -0.492 176.126 176.600 0.030 0.000 1.130 185 K CA -0.525 55.787 56.287 0.042 0.000 1.021 185 K CB 0.476 33.004 32.500 0.047 0.000 0.736 185 K HN 0.136 nan 8.250 nan 0.000 0.448 186 L N 2.157 123.390 121.223 0.016 0.000 2.513 186 L HA 0.082 4.422 4.340 -0.001 0.000 0.272 186 L C -0.118 176.767 176.870 0.026 0.000 1.187 186 L CA 0.615 55.468 54.840 0.021 0.000 0.895 186 L CB 0.331 42.399 42.059 0.015 0.000 1.147 186 L HN 0.037 nan 8.230 nan 0.000 0.483 187 D N 4.130 124.550 120.400 0.034 0.000 2.479 187 D HA 0.366 5.005 4.640 -0.001 0.000 0.218 187 D C 0.818 177.146 176.300 0.046 0.000 1.131 187 D CA 0.435 54.455 54.000 0.034 0.000 0.916 187 D CB 1.388 42.207 40.800 0.031 0.000 1.022 187 D HN 0.732 nan 8.370 nan 0.000 0.515 188 A N 3.150 126.002 122.820 0.054 0.000 1.877 188 A HA 0.003 4.323 4.320 -0.001 0.000 0.216 188 A C 2.057 179.680 177.584 0.064 0.000 1.186 188 A CA 1.677 53.765 52.037 0.085 0.000 0.620 188 A CB -0.900 18.155 19.000 0.092 0.000 0.822 188 A HN 0.571 nan 8.150 nan 0.000 0.443 189 G N 0.259 109.080 108.800 0.036 0.000 2.545 189 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.217 189 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.217 189 G C -0.258 174.654 174.900 0.020 0.000 1.218 189 G CA 1.410 46.521 45.100 0.019 0.000 0.787 189 G HN 0.502 nan 8.290 nan 0.000 0.571 190 P HA 0.006 nan 4.420 nan 0.000 0.218 190 P C 2.007 179.325 177.300 0.029 0.000 1.149 190 P CA 1.574 64.688 63.100 0.023 0.000 0.817 190 P CB -0.178 31.537 31.700 0.025 0.000 0.785 191 T N -0.720 113.859 114.554 0.042 0.000 2.737 191 T HA -0.088 4.262 4.350 -0.001 0.000 0.265 191 T C 1.867 176.603 174.700 0.061 0.000 1.038 191 T CA 1.176 63.304 62.100 0.047 0.000 1.144 191 T CB -1.025 67.875 68.868 0.054 0.000 0.866 191 T HN -0.124 nan 8.240 nan 0.000 0.434 192 V N 1.708 121.668 119.914 0.076 0.000 2.332 192 V HA -0.194 3.926 4.120 -0.001 0.000 0.248 192 V C 2.697 178.790 176.094 -0.002 0.000 1.055 192 V CA 1.819 64.147 62.300 0.047 0.000 1.038 192 V CB -0.684 31.131 31.823 -0.013 0.000 0.651 192 V HN 0.364 nan 8.190 nan 0.000 0.450 193 Q N 0.746 120.544 119.800 -0.003 0.000 2.084 193 Q HA -0.154 4.186 4.340 -0.001 0.000 0.202 193 Q C 2.114 178.113 176.000 -0.001 0.000 0.978 193 Q CA 2.332 58.129 55.803 -0.010 0.000 0.844 193 Q CB -0.724 28.010 28.738 -0.006 0.000 0.898 193 Q HN 0.586 nan 8.270 nan 0.000 0.426 194 A N 0.115 122.943 122.820 0.012 0.000 1.902 194 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 194 A C 2.177 179.771 177.584 0.015 0.000 1.181 194 A CA 1.476 53.523 52.037 0.017 0.000 0.623 194 A CB -0.752 18.263 19.000 0.025 0.000 0.818 194 A HN 0.450 nan 8.150 nan 0.000 0.443 195 L N -0.990 120.243 121.223 0.017 0.000 2.017 195 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 195 L C 2.916 179.784 176.870 -0.003 0.000 1.073 195 L CA 1.649 56.500 54.840 0.018 0.000 0.745 195 L CB -0.672 41.413 42.059 0.044 0.000 0.894 195 L HN 0.470 nan 8.230 nan 0.000 0.432 196 Q N -0.429 119.357 119.800 -0.022 0.000 2.096 196 Q HA -0.301 4.039 4.340 -0.001 0.000 0.204 196 Q C 2.245 178.230 176.000 -0.025 0.000 0.982 196 Q CA 1.616 57.396 55.803 -0.039 0.000 0.850 196 Q CB -0.180 28.525 28.738 -0.055 0.000 0.901 196 Q HN 0.487 nan 8.270 nan 0.000 0.422 197 Q N -0.089 119.704 119.800 -0.013 0.000 2.181 197 Q HA -0.152 4.188 4.340 -0.001 0.000 0.205 197 Q C 1.606 177.605 176.000 -0.002 0.000 0.980 197 Q CA 1.303 57.102 55.803 -0.006 0.000 0.862 197 Q CB -0.045 28.695 28.738 0.002 0.000 0.905 197 Q HN 0.391 nan 8.270 nan 0.000 0.429 198 A N 0.122 122.943 122.820 0.002 0.000 2.238 198 A HA -0.024 4.296 4.320 -0.001 0.000 0.208 198 A C -0.044 177.536 177.584 -0.007 0.000 1.177 198 A CA 0.390 52.431 52.037 0.008 0.000 0.804 198 A CB -0.083 18.932 19.000 0.025 0.000 0.823 198 A HN 0.517 nan 8.150 nan 0.000 0.482 199 E N -0.556 119.631 120.200 -0.021 0.000 2.228 199 E HA -0.148 4.202 4.350 -0.001 0.000 0.213 199 E C -2.287 174.278 176.600 -0.057 0.000 1.282 199 E CA 0.350 56.728 56.400 -0.038 0.000 0.707 199 E CB -1.486 28.195 29.700 -0.033 0.000 1.150 199 E HN 0.609 nan 8.360 nan 0.000 0.362 200 P HA 0.011 nan 4.420 nan 0.000 0.274 200 P C 0.058 177.253 177.300 -0.176 0.000 1.237 200 P CA 0.141 63.172 63.100 -0.115 0.000 0.793 200 P CB 0.817 32.468 31.700 -0.082 0.000 0.977 201 E N 0.165 120.193 120.200 -0.287 0.000 2.216 201 E HA 0.164 4.514 4.350 -0.001 0.000 0.192 201 E C 1.005 177.310 176.600 -0.491 0.000 0.973 201 E CA 0.241 56.442 56.400 -0.332 0.000 0.851 201 E CB 0.124 29.623 29.700 -0.335 0.000 0.804 201 E HN 0.598 nan 8.360 nan 0.000 0.477 202 G N 0.604 108.918 108.800 -0.810 0.000 2.524 202 G HA2 0.627 4.586 3.960 -0.001 0.000 0.310 202 G HA3 0.627 4.586 3.960 -0.001 0.000 0.310 202 G C -1.242 173.395 174.900 -0.437 0.000 1.279 202 G CA -0.644 43.792 45.100 -1.107 0.000 0.974 202 G HN -0.061 nan 8.290 nan 0.000 0.484 203 L N 0.928 122.115 121.223 -0.061 0.000 2.362 203 L HA 0.531 4.871 4.340 -0.001 0.000 0.275 203 L C -1.253 175.826 176.870 0.348 0.000 0.998 203 L CA -0.859 54.095 54.840 0.190 0.000 0.820 203 L CB 2.411 44.528 42.059 0.095 0.000 1.270 203 L HN 0.500 nan 8.230 nan 0.000 0.415 204 F N 3.443 123.476 119.950 0.138 0.000 2.402 204 F HA 0.469 4.996 4.527 0.001 0.000 0.355 204 F C -0.193 175.470 175.800 -0.229 0.000 1.123 204 F CA -0.606 57.279 58.000 -0.193 0.000 1.021 204 F CB 1.182 39.840 39.000 -0.571 0.000 1.160 204 F HN 0.454 nan 8.300 nan 0.000 0.451 205 N N 3.918 122.131 118.700 -0.812 0.000 2.362 205 N HA 0.511 5.251 4.740 -0.001 0.000 0.298 205 N C -0.697 174.333 175.510 -0.799 0.000 1.048 205 N CA -0.597 52.048 53.050 -0.675 0.000 0.858 205 N CB 1.917 40.213 38.487 -0.319 0.000 1.218 205 N HN 0.358 nan 8.380 nan 0.000 0.488 206 V N 2.324 121.895 119.914 -0.571 0.000 3.432 206 V HA 0.228 4.348 4.120 -0.001 0.000 0.298 206 V C 0.569 176.676 176.094 0.021 0.000 1.464 206 V CA -0.232 61.879 62.300 -0.315 0.000 1.046 206 V CB -0.550 31.040 31.823 -0.390 0.000 0.887 206 V HN 0.599 nan 8.190 nan 0.000 0.441 207 L N 2.098 123.271 121.223 -0.084 0.000 2.514 207 L HA 0.248 4.588 4.340 -0.001 0.000 0.280 207 L C -0.030 176.914 176.870 0.124 0.000 1.223 207 L CA 0.625 55.457 54.840 -0.014 0.000 0.864 207 L CB 0.040 42.014 42.059 -0.141 0.000 1.118 207 L HN 0.431 nan 8.230 nan 0.000 0.494 208 F N 0.046 119.995 119.950 -0.003 0.000 2.726 208 F HA 0.875 5.401 4.527 -0.000 0.000 0.324 208 F C 0.677 176.373 175.800 -0.174 0.000 1.140 208 F CA -0.260 57.602 58.000 -0.228 0.000 0.964 208 F CB 0.471 39.209 39.000 -0.437 0.000 1.399 208 F HN 0.660 nan 8.300 nan 0.000 0.491 209 G N 0.827 109.462 108.800 -0.274 0.000 2.596 209 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.295 209 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.295 209 G C 0.967 175.844 174.900 -0.038 0.000 1.240 209 G CA 1.270 46.419 45.100 0.083 0.000 0.985 209 G HN 1.925 nan 8.290 nan 0.000 0.555 210 A N -1.119 121.542 122.820 -0.264 0.000 2.024 210 A HA 0.011 4.331 4.320 -0.001 0.000 0.220 210 A C 2.012 179.361 177.584 -0.392 0.000 1.164 210 A CA 2.514 54.248 52.037 -0.505 0.000 0.643 210 A CB -0.467 17.886 19.000 -1.077 0.000 0.806 210 A HN 0.647 nan 8.150 nan 0.000 0.451 211 D N -0.599 119.578 120.400 -0.371 0.000 2.183 211 D HA -0.091 4.548 4.640 -0.001 0.000 0.203 211 D C 1.823 178.112 176.300 -0.019 0.000 0.969 211 D CA 1.008 54.902 54.000 -0.178 0.000 0.842 211 D CB -0.223 40.483 40.800 -0.156 0.000 0.957 211 D HN 0.400 nan 8.370 nan 0.000 0.484 212 L N 1.701 122.927 121.223 0.004 0.000 1.994 212 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 212 L C -0.972 176.002 176.870 0.173 0.000 1.071 212 L CA 1.924 56.853 54.840 0.148 0.000 0.745 212 L CB -1.438 40.712 42.059 0.152 0.000 0.892 212 L HN -0.029 nan 8.230 nan 0.000 0.431 213 P HA -0.191 nan 4.420 nan 0.000 0.218 213 P C 1.250 178.599 177.300 0.082 0.000 1.149 213 P CA 1.630 64.771 63.100 0.068 0.000 0.817 213 P CB -0.048 31.673 31.700 0.035 0.000 0.785 214 K N -1.156 119.292 120.400 0.080 0.000 2.057 214 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 214 K C 2.115 178.820 176.600 0.175 0.000 1.049 214 K CA 1.218 57.558 56.287 0.088 0.000 0.931 214 K CB -0.648 31.882 32.500 0.049 0.000 0.714 214 K HN 0.058 nan 8.250 nan 0.000 0.440 215 F N 1.413 121.417 119.950 0.090 0.000 2.113 215 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 215 F C 1.879 177.872 175.800 0.321 0.000 1.103 215 F CA 0.969 59.073 58.000 0.173 0.000 1.248 215 F CB -0.435 38.676 39.000 0.185 0.000 0.999 215 F HN -0.285 nan 8.300 nan 0.000 0.475 216 V N 1.099 121.115 119.914 0.171 0.000 2.287 216 V HA -0.331 3.789 4.120 -0.001 0.000 0.248 216 V C 2.583 178.762 176.094 0.143 0.000 1.053 216 V CA 2.474 64.846 62.300 0.120 0.000 1.027 216 V CB -0.692 31.118 31.823 -0.022 0.000 0.646 216 V HN 0.276 nan 8.190 nan 0.000 0.447 217 R N -0.365 120.179 120.500 0.073 0.000 2.066 217 R HA -0.170 4.170 4.340 -0.001 0.000 0.232 217 R C 2.390 178.701 176.300 0.020 0.000 1.131 217 R CA 1.628 57.755 56.100 0.044 0.000 0.955 217 R CB -0.299 30.019 30.300 0.029 0.000 0.851 217 R HN 0.478 nan 8.270 nan 0.000 0.432 218 E N 0.050 120.254 120.200 0.007 0.000 2.106 218 E HA -0.077 4.272 4.350 -0.001 0.000 0.192 218 E C 1.915 178.438 176.600 -0.129 0.000 0.984 218 E CA 1.445 57.826 56.400 -0.031 0.000 0.806 218 E CB -0.388 29.317 29.700 0.008 0.000 0.750 218 E HN 0.344 nan 8.360 nan 0.000 0.458 219 G N 0.618 109.265 108.800 -0.255 0.000 2.446 219 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.217 219 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.217 219 G C 1.718 176.320 174.900 -0.496 0.000 1.168 219 G CA 0.829 45.519 45.100 -0.683 0.000 0.771 219 G HN 0.174 nan 8.290 nan 0.000 0.551 220 R N -0.329 120.115 120.500 -0.093 0.000 2.081 220 R HA -0.037 4.302 4.340 -0.001 0.000 0.235 220 R C 2.748 179.027 176.300 -0.035 0.000 1.131 220 R CA 1.236 57.354 56.100 0.030 0.000 0.960 220 R CB -0.618 29.754 30.300 0.120 0.000 0.856 220 R HN 0.320 nan 8.270 nan 0.000 0.436 221 V N 0.908 120.795 119.914 -0.044 0.000 2.287 221 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 221 V C 2.044 178.103 176.094 -0.060 0.000 1.053 221 V CA 1.828 64.105 62.300 -0.039 0.000 1.027 221 V CB -0.395 31.409 31.823 -0.031 0.000 0.646 221 V HN 0.338 nan 8.190 nan 0.000 0.447 222 R N -0.375 120.065 120.500 -0.100 0.000 2.310 222 R HA 0.242 4.582 4.340 -0.001 0.000 0.202 222 R C 1.505 177.730 176.300 -0.124 0.000 0.933 222 R CA 0.637 56.674 56.100 -0.105 0.000 1.054 222 R CB 0.194 30.426 30.300 -0.113 0.000 0.985 222 R HN 0.597 nan 8.270 nan 0.000 0.489 223 G N 1.496 110.211 108.800 -0.141 0.000 2.160 223 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.244 223 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.244 223 G C 0.532 175.320 174.900 -0.187 0.000 1.022 223 G CA 0.234 45.263 45.100 -0.120 0.000 0.741 223 G HN 0.316 nan 8.290 nan 0.000 0.508 224 L N -1.037 119.957 121.223 -0.382 0.000 2.093 224 L HA 0.278 4.618 4.340 -0.001 0.000 0.208 224 L C 2.326 178.977 176.870 -0.366 0.000 1.085 224 L CA 2.376 56.932 54.840 -0.473 0.000 0.755 224 L CB -0.390 41.209 42.059 -0.768 0.000 0.904 224 L HN 0.232 nan 8.230 nan 0.000 0.435 225 F N 0.187 120.123 119.950 -0.022 0.000 2.569 225 F HA 0.377 4.904 4.527 -0.001 0.000 0.295 225 F C 1.680 177.489 175.800 0.016 0.000 1.115 225 F CA -0.237 57.770 58.000 0.011 0.000 1.450 225 F CB -1.419 37.653 39.000 0.119 0.000 1.107 225 F HN 0.012 nan 8.300 nan 0.000 0.563 226 A N 0.486 123.392 122.820 0.143 0.000 2.548 226 A HA 0.398 4.717 4.320 -0.001 0.000 0.247 226 A C 1.634 179.247 177.584 0.049 0.000 1.067 226 A CA 0.686 52.777 52.037 0.089 0.000 0.757 226 A CB -0.953 18.073 19.000 0.045 0.000 0.996 226 A HN 0.967 nan 8.150 nan 0.000 0.504 227 G N 2.360 111.188 108.800 0.047 0.000 2.168 227 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.263 227 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.263 227 G C 0.332 175.227 174.900 -0.009 0.000 0.977 227 G CA 0.826 45.935 45.100 0.014 0.000 0.659 227 G HN 0.949 nan 8.290 nan 0.000 0.533 228 R N -0.252 120.254 120.500 0.009 0.000 2.711 228 R HA 0.503 4.843 4.340 -0.001 0.000 0.284 228 R C -0.270 176.005 176.300 -0.041 0.000 0.968 228 R CA -0.899 55.175 56.100 -0.044 0.000 0.924 228 R CB 1.036 31.313 30.300 -0.038 0.000 1.162 228 R HN 0.165 nan 8.270 nan 0.000 0.465 229 Q N 1.490 121.218 119.800 -0.121 0.000 2.261 229 Q HA 0.303 4.642 4.340 -0.001 0.000 0.252 229 Q C -0.598 175.323 176.000 -0.132 0.000 0.915 229 Q CA -0.252 55.499 55.803 -0.087 0.000 0.915 229 Q CB 2.050 30.746 28.738 -0.069 0.000 1.204 229 Q HN 0.285 nan 8.270 nan 0.000 0.421 230 V N 2.626 122.417 119.914 -0.205 0.000 2.487 230 V HA 0.424 4.544 4.120 -0.001 0.000 0.298 230 V C -0.190 175.789 176.094 -0.192 0.000 1.028 230 V CA -0.782 61.255 62.300 -0.437 0.000 0.860 230 V CB 2.024 32.963 31.823 -1.474 0.000 0.991 230 V HN 0.467 nan 8.190 nan 0.000 0.427 231 V N 3.412 123.331 119.914 0.009 0.000 2.448 231 V HA 0.690 4.809 4.120 -0.001 0.000 0.295 231 V C -0.090 175.986 176.094 -0.030 0.000 1.025 231 V CA -0.182 62.197 62.300 0.130 0.000 0.859 231 V CB 1.850 33.853 31.823 0.299 0.000 0.988 231 V HN 0.876 nan 8.190 nan 0.000 0.431 232 S N 5.521 121.242 115.700 0.034 0.000 2.677 232 S HA 0.539 5.009 4.470 -0.001 0.000 0.283 232 S C -0.721 173.923 174.600 0.074 0.000 1.159 232 S CA -0.606 57.576 58.200 -0.030 0.000 1.001 232 S CB 1.202 64.523 63.200 0.202 0.000 1.032 232 S HN 0.777 nan 8.310 nan 0.000 0.487 233 M N 6.437 126.011 119.600 -0.044 0.000 2.188 233 M HA 0.329 4.808 4.480 -0.001 0.000 0.354 233 M C 0.249 176.670 176.300 0.201 0.000 1.342 233 M CA 0.507 55.868 55.300 0.102 0.000 1.117 233 M CB -0.334 32.303 32.600 0.062 0.000 1.670 233 M HN 0.918 nan 8.290 nan 0.000 0.466 234 L N 1.735 123.115 121.223 0.262 0.000 5.044 234 L HA -0.300 4.040 4.340 -0.001 0.000 0.412 234 L C 1.055 178.187 176.870 0.436 0.000 0.971 234 L CA 0.766 55.817 54.840 0.353 0.000 1.411 234 L CB -2.374 39.907 42.059 0.371 0.000 1.884 234 L HN 0.775 nan 8.230 nan 0.000 0.631 235 T N -0.067 114.705 114.554 0.364 0.000 2.962 235 T HA -0.046 4.304 4.350 -0.001 0.000 0.270 235 T C 1.617 176.504 174.700 0.313 0.000 1.088 235 T CA 1.498 63.816 62.100 0.364 0.000 1.127 235 T CB -0.157 68.927 68.868 0.359 0.000 0.883 235 T HN 0.666 nan 8.240 nan 0.000 0.493 236 G N 1.009 109.983 108.800 0.290 0.000 2.920 236 G HA2 0.054 4.013 3.960 -0.001 0.000 0.208 236 G HA3 0.054 4.013 3.960 -0.001 0.000 0.208 236 G C 0.203 175.252 174.900 0.249 0.000 1.159 236 G CA -0.236 45.007 45.100 0.237 0.000 0.784 236 G HN 0.449 nan 8.290 nan 0.000 0.535 237 E N 1.104 121.487 120.200 0.305 0.000 2.316 237 E HA 0.104 4.454 4.350 -0.001 0.000 0.275 237 E C -1.368 175.372 176.600 0.234 0.000 1.029 237 E CA -1.788 54.776 56.400 0.273 0.000 0.871 237 E CB 1.684 31.521 29.700 0.230 0.000 1.022 237 E HN 0.060 nan 8.360 nan 0.000 0.418 238 P HA -0.233 nan 4.420 nan 0.000 0.220 238 P C 0.891 178.433 177.300 0.403 0.000 1.148 238 P CA 1.242 64.546 63.100 0.340 0.000 0.803 238 P CB 0.233 32.128 31.700 0.324 0.000 0.782 239 E N -0.538 119.845 120.200 0.305 0.000 2.265 239 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 239 E C 1.327 177.912 176.600 -0.026 0.000 0.996 239 E CA 1.306 57.699 56.400 -0.012 0.000 0.832 239 E CB -0.971 28.542 29.700 -0.311 0.000 0.756 239 E HN 0.348 nan 8.360 nan 0.000 0.491 240 Y N -0.118 120.361 120.300 0.298 0.000 2.500 240 Y HA 0.177 4.727 4.550 -0.001 0.000 0.284 240 Y C 2.101 178.112 175.900 0.186 0.000 1.118 240 Y CA -0.286 57.962 58.100 0.246 0.000 1.241 240 Y CB -0.463 38.173 38.460 0.294 0.000 1.171 240 Y HN -0.011 nan 8.280 nan 0.000 0.540 241 L N 0.780 122.178 121.223 0.291 0.000 2.095 241 L HA -0.041 4.298 4.340 -0.001 0.000 0.204 241 L C 1.581 178.533 176.870 0.135 0.000 1.080 241 L CA 1.669 56.617 54.840 0.179 0.000 0.759 241 L CB -0.822 41.327 42.059 0.150 0.000 0.914 241 L HN 0.173 nan 8.230 nan 0.000 0.439 242 N N -0.174 118.634 118.700 0.179 0.000 2.120 242 N HA -0.137 4.603 4.740 -0.001 0.000 0.188 242 N C -1.065 174.517 175.510 0.120 0.000 1.024 242 N CA 1.309 54.451 53.050 0.154 0.000 0.852 242 N CB -0.844 37.788 38.487 0.242 0.000 1.003 242 N HN 0.353 nan 8.380 nan 0.000 0.424 243 P HA -0.053 nan 4.420 nan 0.000 0.230 243 P C 1.088 178.424 177.300 0.060 0.000 1.158 243 P CA 0.702 63.857 63.100 0.093 0.000 0.769 243 P CB 0.038 31.797 31.700 0.100 0.000 0.807 244 L N -1.560 119.694 121.223 0.052 0.000 2.376 244 L HA -0.101 4.239 4.340 -0.001 0.000 0.219 244 L C 1.288 178.156 176.870 -0.003 0.000 1.133 244 L CA 0.824 55.672 54.840 0.013 0.000 0.816 244 L CB -0.573 41.475 42.059 -0.017 0.000 0.933 244 L HN -0.018 nan 8.230 nan 0.000 0.449 245 K N 0.032 120.435 120.400 0.006 0.000 1.931 245 K HA -0.331 3.989 4.320 -0.001 0.000 0.126 245 K C 0.874 177.457 176.600 -0.028 0.000 1.372 245 K CA 1.863 58.146 56.287 -0.006 0.000 0.483 245 K CB -1.138 31.363 32.500 0.002 0.000 0.562 245 K HN 0.366 nan 8.250 nan 0.000 0.923 246 D N 1.374 121.757 120.400 -0.028 0.000 2.378 246 D HA -0.079 4.561 4.640 -0.001 0.000 0.227 246 D C 0.769 177.041 176.300 -0.047 0.000 1.012 246 D CA 1.168 55.145 54.000 -0.038 0.000 0.905 246 D CB -0.175 40.607 40.800 -0.029 0.000 0.895 246 D HN 0.488 nan 8.370 nan 0.000 0.532 247 E N -0.084 120.087 120.200 -0.048 0.000 2.479 247 E HA 0.247 4.597 4.350 -0.001 0.000 0.193 247 E C 0.444 176.975 176.600 -0.115 0.000 1.049 247 E CA -0.258 56.105 56.400 -0.062 0.000 0.870 247 E CB 0.497 30.173 29.700 -0.040 0.000 0.944 247 E HN 0.326 nan 8.360 nan 0.000 0.492 248 A N 3.500 126.246 122.820 -0.123 0.000 2.540 248 A HA 0.105 4.425 4.320 -0.001 0.000 0.239 248 A C -2.059 175.341 177.584 -0.306 0.000 1.061 248 A CA -0.961 50.959 52.037 -0.194 0.000 0.758 248 A CB -0.193 18.725 19.000 -0.137 0.000 0.991 248 A HN -0.034 nan 8.150 nan 0.000 0.502 249 P HA 0.203 nan 4.420 nan 0.000 0.271 249 P C -0.691 176.278 177.300 -0.552 0.000 1.218 249 P CA 0.055 62.653 63.100 -0.836 0.000 0.780 249 P CB 0.740 31.174 31.700 -2.109 0.000 0.901 250 E N 0.495 120.509 120.200 -0.310 0.000 2.166 250 E HA 0.467 4.816 4.350 -0.001 0.000 0.275 250 E C 0.735 177.378 176.600 0.071 0.000 0.941 250 E CA -0.655 55.689 56.400 -0.093 0.000 0.784 250 E CB 0.970 30.650 29.700 -0.033 0.000 1.115 250 E HN 0.741 nan 8.360 nan 0.000 0.399 251 G N 2.161 111.037 108.800 0.127 0.000 2.159 251 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.256 251 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.256 251 G C -0.493 174.617 174.900 0.351 0.000 0.977 251 G CA -0.406 44.822 45.100 0.214 0.000 0.652 251 G HN 0.408 nan 8.290 nan 0.000 0.531 252 W N 0.444 121.762 121.300 0.029 0.000 2.190 252 W HA 0.653 5.313 4.660 -0.000 0.000 0.330 252 W C 0.873 177.452 176.519 0.100 0.000 1.299 252 W CA -1.145 56.229 57.345 0.048 0.000 1.215 252 W CB 0.176 29.641 29.460 0.008 0.000 1.147 252 W HN 0.102 nan 8.180 nan 0.000 0.563 253 I N 4.675 125.430 120.570 0.308 0.000 2.312 253 I HA 0.279 4.449 4.170 -0.001 0.000 0.291 253 I C 0.194 176.474 176.117 0.271 0.000 1.031 253 I CA -0.682 60.777 61.300 0.264 0.000 1.293 253 I CB 0.087 38.228 38.000 0.234 0.000 1.403 253 I HN 0.128 nan 8.210 nan 0.000 0.484 254 V N 2.037 122.115 119.914 0.274 0.000 3.078 254 V HA 0.722 4.842 4.120 -0.001 0.000 0.311 254 V C -0.072 176.178 176.094 0.259 0.000 1.138 254 V CA -0.654 61.809 62.300 0.273 0.000 1.007 254 V CB 1.859 33.861 31.823 0.298 0.000 1.045 254 V HN 0.710 nan 8.190 nan 0.000 0.432 255 T N 0.103 114.809 114.554 0.254 0.000 2.909 255 T HA 0.937 5.287 4.350 -0.001 0.000 0.286 255 T C 0.287 175.163 174.700 0.293 0.000 1.002 255 T CA 0.190 62.449 62.100 0.265 0.000 1.074 255 T CB 1.153 70.161 68.868 0.233 0.000 0.984 255 T HN 2.003 nan 8.240 nan 0.000 0.495 256 G N 0.223 109.220 108.800 0.328 0.000 2.500 256 G HA2 0.441 4.401 3.960 -0.001 0.000 0.299 256 G HA3 0.441 4.401 3.960 -0.001 0.000 0.299 256 G C -2.246 172.852 174.900 0.330 0.000 1.242 256 G CA -0.773 44.512 45.100 0.309 0.000 0.859 256 G HN 0.797 nan 8.290 nan 0.000 0.481 257 Y N 1.969 122.220 120.300 -0.083 0.000 2.422 257 Y HA 0.545 5.095 4.550 -0.001 0.000 0.344 257 Y C -2.467 173.027 175.900 -0.676 0.000 1.097 257 Y CA -2.881 54.937 58.100 -0.469 0.000 1.307 257 Y CB 2.398 40.735 38.460 -0.206 0.000 1.102 257 Y HN 0.276 nan 8.280 nan 0.000 0.520 258 P HA 0.045 nan 4.420 nan 0.000 0.212 258 P C 1.165 177.194 177.300 -2.118 0.000 1.816 258 P CA -0.067 61.953 63.100 -1.800 0.000 0.944 258 P CB -0.750 29.867 31.700 -1.805 0.000 1.896 259 W N 1.416 121.572 121.300 -1.906 0.000 2.350 259 W HA -0.255 4.405 4.660 -0.001 0.000 0.289 259 W C 0.917 176.951 176.519 -0.809 0.000 1.215 259 W CA 0.836 57.341 57.345 -1.400 0.000 1.236 259 W CB -1.985 26.663 29.460 -1.353 0.000 1.130 259 W HN 0.160 nan 8.180 nan 0.000 0.541 260 Y N 0.680 120.016 120.300 -1.606 0.000 2.421 260 Y HA 0.012 4.562 4.550 -0.000 0.000 0.292 260 Y C 1.252 176.821 175.900 -0.551 0.000 1.136 260 Y CA 1.333 58.637 58.100 -1.328 0.000 1.255 260 Y CB -1.318 36.246 38.460 -1.492 0.000 0.991 260 Y HN -0.126 nan 8.280 nan 0.000 0.552 261 D N 0.264 120.314 120.400 -0.583 0.000 2.469 261 D HA 0.224 4.863 4.640 -0.001 0.000 0.213 261 D C -0.113 176.210 176.300 0.038 0.000 1.135 261 D CA -0.004 53.941 54.000 -0.091 0.000 0.834 261 D CB 0.279 41.199 40.800 0.199 0.000 1.009 261 D HN 0.303 nan 8.370 nan 0.000 0.507 262 I N 1.507 121.966 120.570 -0.185 0.000 2.396 262 I HA 0.041 4.211 4.170 -0.001 0.000 0.289 262 I C 0.767 176.931 176.117 0.079 0.000 1.056 262 I CA 0.092 61.366 61.300 -0.043 0.000 1.365 262 I CB 1.039 38.807 38.000 -0.386 0.000 1.407 262 I HN -0.309 nan 8.210 nan 0.000 0.509 263 D N 2.935 123.409 120.400 0.123 0.000 2.398 263 D HA 0.024 4.664 4.640 -0.001 0.000 0.210 263 D C 0.729 177.095 176.300 0.110 0.000 1.094 263 D CA 0.322 54.385 54.000 0.105 0.000 0.839 263 D CB 0.403 41.252 40.800 0.082 0.000 0.963 263 D HN 0.543 nan 8.370 nan 0.000 0.506 264 T N -1.352 113.279 114.554 0.129 0.000 2.930 264 T HA 0.396 4.745 4.350 -0.001 0.000 0.306 264 T C 1.559 176.338 174.700 0.131 0.000 1.045 264 T CA -0.172 61.998 62.100 0.118 0.000 1.134 264 T CB 1.993 70.929 68.868 0.112 0.000 0.961 264 T HN -0.042 nan 8.240 nan 0.000 0.545 265 A N 3.692 126.572 122.820 0.099 0.000 1.883 265 A HA 0.028 4.348 4.320 -0.001 0.000 0.217 265 A C -0.068 177.579 177.584 0.105 0.000 1.186 265 A CA 1.158 53.249 52.037 0.090 0.000 0.624 265 A CB -1.913 17.128 19.000 0.067 0.000 0.822 265 A HN 0.724 nan 8.150 nan 0.000 0.444 266 P HA -0.156 nan 4.420 nan 0.000 0.218 266 P C 1.504 178.896 177.300 0.153 0.000 1.149 266 P CA 1.350 64.522 63.100 0.120 0.000 0.817 266 P CB -0.219 31.545 31.700 0.107 0.000 0.785 267 H N -0.154 118.982 119.070 0.110 0.000 2.363 267 H HA 0.024 4.580 4.556 0.000 0.000 0.301 267 H C 1.958 177.392 175.328 0.177 0.000 1.074 267 H CA 1.083 57.225 56.048 0.156 0.000 1.354 267 H CB 0.215 30.060 29.762 0.138 0.000 1.397 267 H HN -0.142 nan 8.280 nan 0.000 0.516 268 R N 0.565 121.156 120.500 0.152 0.000 2.096 268 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 268 R C 2.383 178.696 176.300 0.021 0.000 1.127 268 R CA 0.944 57.095 56.100 0.084 0.000 0.968 268 R CB -0.799 29.560 30.300 0.098 0.000 0.861 268 R HN 0.366 nan 8.270 nan 0.000 0.440 269 A N 0.700 123.547 122.820 0.044 0.000 1.902 269 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 269 A C 2.021 179.607 177.584 0.003 0.000 1.181 269 A CA 1.244 53.301 52.037 0.033 0.000 0.623 269 A CB -0.664 18.375 19.000 0.065 0.000 0.818 269 A HN 0.333 nan 8.150 nan 0.000 0.443 270 F N 0.907 120.751 119.950 -0.176 0.000 2.102 270 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 270 F C 2.186 177.844 175.800 -0.237 0.000 1.105 270 F CA 1.962 59.785 58.000 -0.295 0.000 1.239 270 F CB -0.576 38.154 39.000 -0.450 0.000 0.991 270 F HN 0.017 nan 8.300 nan 0.000 0.474 271 V N 0.846 120.480 119.914 -0.467 0.000 2.287 271 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 271 V C 2.495 178.427 176.094 -0.270 0.000 1.053 271 V CA 2.297 64.325 62.300 -0.454 0.000 1.027 271 V CB -0.731 31.007 31.823 -0.143 0.000 0.646 271 V HN 0.327 nan 8.190 nan 0.000 0.447 272 E N 0.146 120.257 120.200 -0.148 0.000 2.106 272 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 272 E C 2.334 178.872 176.600 -0.104 0.000 0.984 272 E CA 1.396 57.744 56.400 -0.086 0.000 0.806 272 E CB -0.528 29.149 29.700 -0.038 0.000 0.750 272 E HN 0.582 nan 8.360 nan 0.000 0.458 273 A N 0.451 123.195 122.820 -0.126 0.000 1.930 273 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 273 A C 2.137 179.635 177.584 -0.143 0.000 1.175 273 A CA 1.256 53.227 52.037 -0.110 0.000 0.627 273 A CB -0.772 18.194 19.000 -0.058 0.000 0.815 273 A HN 0.324 nan 8.150 nan 0.000 0.443 274 Y N 0.415 120.498 120.300 -0.361 0.000 2.145 274 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 274 Y C 2.574 178.387 175.900 -0.146 0.000 1.145 274 Y CA 2.096 60.031 58.100 -0.275 0.000 1.148 274 Y CB -0.196 37.900 38.460 -0.607 0.000 0.981 274 Y HN 0.237 nan 8.280 nan 0.000 0.507 275 R N -0.135 120.367 120.500 0.005 0.000 2.091 275 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 275 R C 2.497 178.736 176.300 -0.102 0.000 1.136 275 R CA 1.247 57.335 56.100 -0.021 0.000 0.959 275 R CB -0.642 29.646 30.300 -0.021 0.000 0.856 275 R HN 0.443 nan 8.270 nan 0.000 0.437 276 A N 0.908 123.648 122.820 -0.133 0.000 1.933 276 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 276 A C 2.116 179.546 177.584 -0.257 0.000 1.175 276 A CA 1.531 53.474 52.037 -0.156 0.000 0.628 276 A CB -0.297 18.625 19.000 -0.131 0.000 0.814 276 A HN 0.120 nan 8.150 nan 0.000 0.444 277 R N -1.645 118.613 120.500 -0.403 0.000 2.100 277 R HA -0.037 4.303 4.340 -0.001 0.000 0.220 277 R C 1.251 177.014 176.300 -0.896 0.000 1.091 277 R CA 1.539 57.199 56.100 -0.733 0.000 0.986 277 R CB -0.458 29.259 30.300 -0.972 0.000 0.888 277 R HN 0.671 nan 8.270 nan 0.000 0.444 278 W N 0.609 121.694 121.300 -0.358 0.000 2.975 278 W HA 0.321 4.981 4.660 -0.001 0.000 0.316 278 W C -0.036 176.357 176.519 -0.210 0.000 1.131 278 W CA -0.632 56.502 57.345 -0.351 0.000 1.624 278 W CB 0.793 29.880 29.460 -0.621 0.000 1.038 278 W HN -0.185 nan 8.180 nan 0.000 0.571 279 K N 1.379 121.772 120.400 -0.012 0.000 3.071 279 K HA -0.232 4.088 4.320 -0.001 0.000 0.265 279 K C -0.802 175.830 176.600 0.054 0.000 1.060 279 K CA 1.158 57.449 56.287 0.007 0.000 0.767 279 K CB -2.232 30.267 32.500 -0.002 0.000 1.241 279 K HN 0.422 nan 8.250 nan 0.000 0.486 280 E N -0.083 120.169 120.200 0.087 0.000 2.383 280 E HA 0.276 4.626 4.350 -0.001 0.000 0.275 280 E C -0.974 175.692 176.600 0.111 0.000 0.918 280 E CA -1.010 55.465 56.400 0.124 0.000 0.764 280 E CB 1.549 31.368 29.700 0.198 0.000 1.252 280 E HN -0.041 nan 8.360 nan 0.000 0.449 281 D N 2.667 123.029 120.400 -0.064 0.000 2.372 281 D HA 0.162 4.801 4.640 -0.001 0.000 0.243 281 D C -2.088 173.802 176.300 -0.683 0.000 1.121 281 D CA -1.203 52.517 54.000 -0.467 0.000 0.898 281 D CB 0.503 40.935 40.800 -0.613 0.000 1.202 281 D HN 0.105 nan 8.370 nan 0.000 0.428 282 P HA 0.238 nan 4.420 nan 0.000 0.276 282 P C -0.804 175.805 177.300 -1.151 0.000 1.244 282 P CA -0.221 62.111 63.100 -1.281 0.000 0.801 282 P CB 0.668 31.620 31.700 -1.247 0.000 1.006 283 F N -0.877 118.792 119.950 -0.469 0.000 2.613 283 F HA 0.261 4.787 4.527 -0.001 0.000 0.342 283 F C 1.845 177.613 175.800 -0.053 0.000 1.066 283 F CA -0.731 57.152 58.000 -0.195 0.000 1.002 283 F CB 0.539 39.429 39.000 -0.184 0.000 1.319 283 F HN 0.007 nan 8.300 nan 0.000 0.495 284 V N 1.387 121.428 119.914 0.212 0.000 2.490 284 V HA -0.148 3.972 4.120 -0.001 0.000 0.250 284 V C 2.023 178.030 176.094 -0.145 0.000 1.061 284 V CA 2.545 64.764 62.300 -0.135 0.000 1.064 284 V CB -0.867 30.926 31.823 -0.050 0.000 0.670 284 V HN 0.971 nan 8.190 nan 0.000 0.461 285 G N -0.725 107.862 108.800 -0.355 0.000 2.469 285 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.220 285 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.220 285 G C 1.769 176.562 174.900 -0.179 0.000 1.136 285 G CA 1.284 45.856 45.100 -0.880 0.000 0.759 285 G HN 0.568 nan 8.290 nan 0.000 0.562 286 S N 0.399 116.048 115.700 -0.085 0.000 2.359 286 S HA -0.152 4.317 4.470 -0.001 0.000 0.224 286 S C 2.157 176.889 174.600 0.219 0.000 1.035 286 S CA 1.307 59.544 58.200 0.061 0.000 1.018 286 S CB -0.367 62.689 63.200 -0.240 0.000 0.876 286 S HN 0.269 nan 8.310 nan 0.000 0.448 287 L N 1.981 123.251 121.223 0.079 0.000 2.093 287 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 287 L C 2.181 179.086 176.870 0.058 0.000 1.085 287 L CA 1.398 56.170 54.840 -0.113 0.000 0.755 287 L CB -0.668 41.224 42.059 -0.278 0.000 0.904 287 L HN 0.127 nan 8.230 nan 0.000 0.435 288 V N 0.062 120.061 119.914 0.142 0.000 2.295 288 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 288 V C 2.605 178.930 176.094 0.384 0.000 1.049 288 V CA 1.883 64.365 62.300 0.302 0.000 1.024 288 V CB -1.662 30.430 31.823 0.449 0.000 0.648 288 V HN 0.621 nan 8.190 nan 0.000 0.447 289 G N -1.778 107.245 108.800 0.372 0.000 2.418 289 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.217 289 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.217 289 G C 1.574 176.636 174.900 0.269 0.000 1.158 289 G CA 1.090 46.288 45.100 0.163 0.000 0.771 289 G HN 0.536 nan 8.290 nan 0.000 0.545 290 Y N 1.902 122.307 120.300 0.174 0.000 2.145 290 Y HA -0.145 4.404 4.550 -0.001 0.000 0.286 290 Y C 2.735 178.715 175.900 0.134 0.000 1.145 290 Y CA 2.050 60.256 58.100 0.178 0.000 1.148 290 Y CB -0.105 38.449 38.460 0.157 0.000 0.981 290 Y HN 0.140 nan 8.280 nan 0.000 0.507 291 N N -0.814 118.035 118.700 0.249 0.000 2.188 291 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 291 N C 1.775 177.368 175.510 0.138 0.000 1.018 291 N CA 1.860 55.048 53.050 0.230 0.000 0.858 291 N CB -0.764 37.891 38.487 0.279 0.000 0.989 291 N HN 0.346 nan 8.380 nan 0.000 0.426 292 T N 1.820 116.461 114.554 0.144 0.000 2.652 292 T HA -0.043 4.307 4.350 -0.001 0.000 0.267 292 T C 1.826 176.522 174.700 -0.006 0.000 1.039 292 T CA 0.592 62.743 62.100 0.084 0.000 1.153 292 T CB -0.130 68.831 68.868 0.154 0.000 0.863 292 T HN 0.083 nan 8.240 nan 0.000 0.428 293 L N 0.969 122.198 121.223 0.009 0.000 2.156 293 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 293 L C 2.721 179.556 176.870 -0.058 0.000 1.095 293 L CA 1.601 56.430 54.840 -0.019 0.000 0.770 293 L CB -1.694 40.388 42.059 0.039 0.000 0.914 293 L HN 0.349 nan 8.230 nan 0.000 0.439 294 T N 0.322 114.814 114.554 -0.104 0.000 2.674 294 T HA -0.167 4.183 4.350 -0.001 0.000 0.265 294 T C 1.991 176.642 174.700 -0.082 0.000 1.039 294 T CA 1.498 63.546 62.100 -0.086 0.000 1.150 294 T CB -0.144 68.690 68.868 -0.057 0.000 0.864 294 T HN 0.428 nan 8.240 nan 0.000 0.427 295 A N 1.504 124.180 122.820 -0.241 0.000 1.908 295 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 295 A C 2.363 179.758 177.584 -0.315 0.000 1.181 295 A CA 1.419 53.115 52.037 -0.568 0.000 0.627 295 A CB -0.609 17.843 19.000 -0.914 0.000 0.818 295 A HN 0.330 nan 8.150 nan 0.000 0.445 296 M N -0.715 118.764 119.600 -0.201 0.000 2.132 296 M HA -0.115 4.364 4.480 -0.001 0.000 0.263 296 M C 2.555 178.881 176.300 0.043 0.000 1.065 296 M CA 1.539 56.762 55.300 -0.128 0.000 1.122 296 M CB -1.084 31.506 32.600 -0.018 0.000 1.365 296 M HN 0.506 nan 8.290 nan 0.000 0.411 297 A N -0.291 122.573 122.820 0.073 0.000 1.908 297 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 297 A C 2.278 179.914 177.584 0.087 0.000 1.181 297 A CA 1.818 53.929 52.037 0.122 0.000 0.627 297 A CB -1.013 18.018 19.000 0.051 0.000 0.818 297 A HN 0.319 nan 8.150 nan 0.000 0.445 298 V N -0.191 119.734 119.914 0.018 0.000 2.343 298 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 298 V C 3.058 179.131 176.094 -0.034 0.000 1.051 298 V CA 1.935 64.246 62.300 0.017 0.000 1.036 298 V CB -1.268 30.588 31.823 0.055 0.000 0.654 298 V HN 0.636 nan 8.190 nan 0.000 0.451 299 A N -0.280 122.456 122.820 -0.140 0.000 1.883 299 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 299 A C 2.037 179.476 177.584 -0.242 0.000 1.186 299 A CA 2.017 53.892 52.037 -0.270 0.000 0.624 299 A CB -0.779 17.929 19.000 -0.487 0.000 0.822 299 A HN 0.457 nan 8.150 nan 0.000 0.444 300 F N -0.205 119.682 119.950 -0.105 0.000 2.102 300 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 300 F C 2.422 178.182 175.800 -0.068 0.000 1.105 300 F CA 1.813 59.760 58.000 -0.088 0.000 1.239 300 F CB -0.545 38.403 39.000 -0.088 0.000 0.991 300 F HN 0.286 nan 8.300 nan 0.000 0.474 301 E N 0.700 120.976 120.200 0.128 0.000 2.051 301 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 301 E C 1.978 178.596 176.600 0.031 0.000 0.991 301 E CA 1.557 57.996 56.400 0.066 0.000 0.799 301 E CB -0.168 29.564 29.700 0.053 0.000 0.748 301 E HN 0.247 nan 8.360 nan 0.000 0.449 302 K N -0.435 119.970 120.400 0.008 0.000 2.155 302 K HA 0.020 4.340 4.320 -0.001 0.000 0.203 302 K C 2.060 178.647 176.600 -0.022 0.000 1.052 302 K CA 0.863 57.145 56.287 -0.008 0.000 0.948 302 K CB -0.053 32.437 32.500 -0.017 0.000 0.728 302 K HN 0.154 nan 8.250 nan 0.000 0.448 303 A N 0.590 123.387 122.820 -0.039 0.000 1.969 303 A HA 0.026 4.346 4.320 -0.001 0.000 0.218 303 A C 1.740 179.319 177.584 -0.007 0.000 1.169 303 A CA 1.473 53.484 52.037 -0.043 0.000 0.635 303 A CB -0.600 18.349 19.000 -0.085 0.000 0.810 303 A HN 0.433 nan 8.150 nan 0.000 0.445 304 G N -3.021 105.788 108.800 0.015 0.000 2.159 304 G HA2 0.214 4.174 3.960 -0.001 0.000 0.256 304 G HA3 0.214 4.174 3.960 -0.001 0.000 0.256 304 G C 0.811 175.725 174.900 0.023 0.000 0.977 304 G CA 0.675 45.785 45.100 0.018 0.000 0.652 304 G HN 2.018 nan 8.290 nan 0.000 0.531 305 G N -2.606 106.222 108.800 0.046 0.000 2.430 305 G HA2 0.659 4.619 3.960 -0.001 0.000 0.300 305 G HA3 0.659 4.619 3.960 -0.001 0.000 0.300 305 G C 0.423 175.395 174.900 0.120 0.000 1.330 305 G CA 0.942 46.070 45.100 0.046 0.000 0.813 305 G HN 1.296 nan 8.290 nan 0.000 0.487 306 T N -2.311 112.285 114.554 0.071 0.000 3.040 306 T HA 0.255 4.605 4.350 -0.001 0.000 0.250 306 T C 0.646 175.434 174.700 0.147 0.000 1.058 306 T CA 0.342 62.534 62.100 0.153 0.000 0.988 306 T CB 0.369 69.099 68.868 -0.229 0.000 0.993 306 T HN 0.457 nan 8.240 nan 0.000 0.519 307 E N 2.031 122.281 120.200 0.083 0.000 2.480 307 E HA 0.082 4.432 4.350 -0.001 0.000 0.258 307 E C 0.580 177.219 176.600 0.065 0.000 0.984 307 E CA 0.085 56.530 56.400 0.075 0.000 0.930 307 E CB 0.901 30.630 29.700 0.048 0.000 0.936 307 E HN 0.308 nan 8.360 nan 0.000 0.466 308 S N 4.603 120.355 115.700 0.088 0.000 2.356 308 S HA -0.155 4.315 4.470 -0.001 0.000 0.223 308 S C 1.367 176.029 174.600 0.102 0.000 1.032 308 S CA 0.936 59.196 58.200 0.101 0.000 1.005 308 S CB 0.042 63.317 63.200 0.124 0.000 0.867 308 S HN 0.521 nan 8.310 nan 0.000 0.449 309 E N 1.068 121.330 120.200 0.104 0.000 2.077 309 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 309 E C 2.288 178.897 176.600 0.015 0.000 0.989 309 E CA 1.240 57.690 56.400 0.083 0.000 0.800 309 E CB -0.932 28.815 29.700 0.079 0.000 0.746 309 E HN 0.457 nan 8.360 nan 0.000 0.452 310 T N 2.020 116.575 114.554 0.002 0.000 2.821 310 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 310 T C 1.936 176.590 174.700 -0.077 0.000 1.046 310 T CA 0.720 62.802 62.100 -0.028 0.000 1.139 310 T CB -0.271 68.586 68.868 -0.018 0.000 0.871 310 T HN -0.002 nan 8.240 nan 0.000 0.454 311 L N 1.247 122.410 121.223 -0.100 0.000 2.012 311 L HA -0.050 4.289 4.340 -0.001 0.000 0.210 311 L C 2.487 179.208 176.870 -0.247 0.000 1.073 311 L CA 1.501 56.212 54.840 -0.216 0.000 0.748 311 L CB -0.749 41.153 42.059 -0.260 0.000 0.891 311 L HN 0.069 nan 8.230 nan 0.000 0.431 312 V N -0.356 119.472 119.914 -0.144 0.000 2.407 312 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 312 V C 2.589 178.614 176.094 -0.115 0.000 1.055 312 V CA 1.704 63.934 62.300 -0.116 0.000 1.049 312 V CB -0.591 31.206 31.823 -0.044 0.000 0.662 312 V HN 0.471 nan 8.190 nan 0.000 0.455 313 E N -0.183 119.963 120.200 -0.090 0.000 2.106 313 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 313 E C 2.320 178.868 176.600 -0.088 0.000 0.984 313 E CA 1.603 57.966 56.400 -0.062 0.000 0.806 313 E CB -0.532 29.144 29.700 -0.040 0.000 0.750 313 E HN 0.566 nan 8.360 nan 0.000 0.458 314 T N 1.762 116.236 114.554 -0.134 0.000 2.788 314 T HA -0.085 4.265 4.350 -0.001 0.000 0.268 314 T C 2.014 176.602 174.700 -0.187 0.000 1.044 314 T CA 0.677 62.692 62.100 -0.142 0.000 1.139 314 T CB -0.142 68.627 68.868 -0.164 0.000 0.867 314 T HN 0.083 nan 8.240 nan 0.000 0.454 315 L N 0.173 121.190 121.223 -0.343 0.000 2.376 315 L HA 0.047 4.387 4.340 -0.001 0.000 0.219 315 L C 0.925 177.673 176.870 -0.204 0.000 1.133 315 L CA 0.665 55.196 54.840 -0.514 0.000 0.816 315 L CB -0.295 40.955 42.059 -1.348 0.000 0.933 315 L HN 0.090 nan 8.230 nan 0.000 0.449 316 K N 1.385 121.751 120.400 -0.057 0.000 2.419 316 K HA -0.044 4.276 4.320 -0.001 0.000 0.282 316 K C -0.154 176.500 176.600 0.090 0.000 1.056 316 K CA 0.114 56.450 56.287 0.081 0.000 1.035 316 K CB 0.200 32.739 32.500 0.065 0.000 0.921 316 K HN 0.047 nan 8.250 nan 0.000 0.472 317 D N 1.330 121.820 120.400 0.151 0.000 2.911 317 D HA -0.230 4.410 4.640 -0.001 0.000 0.227 317 D C -0.251 176.125 176.300 0.127 0.000 1.164 317 D CA 1.058 55.136 54.000 0.131 0.000 0.782 317 D CB -0.732 40.118 40.800 0.083 0.000 1.094 317 D HN 0.596 nan 8.370 nan 0.000 0.425 318 M N 0.414 120.113 119.600 0.164 0.000 2.162 318 M HA 0.361 4.841 4.480 -0.001 0.000 0.356 318 M C 0.233 176.692 176.300 0.264 0.000 1.303 318 M CA -0.070 55.328 55.300 0.162 0.000 1.116 318 M CB 0.809 33.467 32.600 0.096 0.000 1.632 318 M HN 0.092 nan 8.290 nan 0.000 0.469 319 A N 5.651 128.583 122.820 0.188 0.000 2.302 319 A HA 0.763 5.083 4.320 -0.001 0.000 0.285 319 A C -1.015 176.745 177.584 0.292 0.000 1.105 319 A CA -0.523 51.610 52.037 0.160 0.000 0.816 319 A CB 0.312 19.342 19.000 0.051 0.000 1.067 319 A HN 0.889 nan 8.150 nan 0.000 0.489 320 F N -0.794 119.171 119.950 0.025 0.000 2.628 320 F HA 0.660 5.187 4.527 0.000 0.000 0.309 320 F C -0.284 175.530 175.800 0.024 0.000 1.108 320 F CA -0.790 57.229 58.000 0.032 0.000 0.971 320 F CB 1.158 40.191 39.000 0.055 0.000 1.279 320 F HN 0.310 nan 8.300 nan 0.000 0.441 321 S N 1.455 117.208 115.700 0.089 0.000 2.545 321 S HA 0.655 5.125 4.470 -0.001 0.000 0.275 321 S C -0.028 174.617 174.600 0.075 0.000 1.299 321 S CA -0.128 58.083 58.200 0.018 0.000 1.048 321 S CB 1.234 64.474 63.200 0.067 0.000 0.938 321 S HN 0.934 nan 8.310 nan 0.000 0.496 322 T N 0.061 114.622 114.554 0.012 0.000 2.864 322 T HA 0.532 4.881 4.350 -0.001 0.000 0.289 322 T C -2.662 172.088 174.700 0.083 0.000 1.082 322 T CA -1.965 60.189 62.100 0.089 0.000 1.009 322 T CB 1.065 69.944 68.868 0.020 0.000 1.234 322 T HN 0.137 nan 8.240 nan 0.000 0.526 323 P HA 0.130 nan 4.420 nan 0.000 0.228 323 P C 0.794 178.176 177.300 0.137 0.000 1.151 323 P CA 0.640 63.782 63.100 0.069 0.000 0.770 323 P CB 0.051 31.676 31.700 -0.124 0.000 0.786 324 M N -0.963 118.677 119.600 0.067 0.000 2.560 324 M HA 0.334 4.814 4.480 -0.001 0.000 0.297 324 M C 0.835 177.094 176.300 -0.070 0.000 1.201 324 M CA 0.003 55.292 55.300 -0.018 0.000 0.973 324 M CB -0.545 31.978 32.600 -0.128 0.000 1.401 324 M HN -0.035 nan 8.290 nan 0.000 0.497 325 G N 2.062 110.842 108.800 -0.032 0.000 2.660 325 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.247 325 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.247 325 G C -3.033 171.799 174.900 -0.113 0.000 1.328 325 G CA -1.196 43.875 45.100 -0.049 0.000 0.884 325 G HN 0.175 nan 8.290 nan 0.000 0.531 326 P HA 0.483 nan 4.420 nan 0.000 0.271 326 P C -0.048 177.069 177.300 -0.306 0.000 1.216 326 P CA 0.162 63.141 63.100 -0.202 0.000 0.771 326 P CB 0.730 32.361 31.700 -0.115 0.000 0.864 327 L N 1.703 122.566 121.223 -0.600 0.000 2.279 327 L HA 0.654 4.994 4.340 -0.001 0.000 0.262 327 L C 0.579 177.096 176.870 -0.588 0.000 1.019 327 L CA -0.734 53.721 54.840 -0.642 0.000 0.823 327 L CB 2.126 43.663 42.059 -0.871 0.000 1.358 327 L HN 0.455 nan 8.230 nan 0.000 0.432 328 S N -0.704 114.820 115.700 -0.293 0.000 2.618 328 S HA 0.691 5.161 4.470 -0.001 0.000 0.277 328 S C -1.201 173.371 174.600 -0.047 0.000 1.138 328 S CA -0.733 57.449 58.200 -0.030 0.000 0.844 328 S CB 1.604 64.819 63.200 0.025 0.000 1.127 328 S HN 0.255 nan 8.310 nan 0.000 0.474 329 F N 1.572 121.665 119.950 0.238 0.000 2.410 329 F HA 0.489 5.016 4.527 0.000 0.000 0.349 329 F C 1.259 177.167 175.800 0.179 0.000 1.117 329 F CA -0.701 57.429 58.000 0.216 0.000 1.104 329 F CB 1.259 40.373 39.000 0.190 0.000 1.122 329 F HN 0.386 nan 8.300 nan 0.000 0.483 330 R N 2.039 122.732 120.500 0.322 0.000 2.491 330 R HA 0.273 4.613 4.340 -0.001 0.000 0.283 330 R C 0.936 177.404 176.300 0.281 0.000 1.072 330 R CA 0.164 56.405 56.100 0.234 0.000 1.048 330 R CB 0.809 31.215 30.300 0.176 0.000 0.983 330 R HN 0.889 nan 8.270 nan 0.000 0.450 331 A N 2.386 125.332 122.820 0.209 0.000 1.972 331 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 331 A C 2.160 179.875 177.584 0.218 0.000 1.169 331 A CA 1.884 54.047 52.037 0.209 0.000 0.635 331 A CB -0.356 18.718 19.000 0.124 0.000 0.810 331 A HN 0.843 nan 8.150 nan 0.000 0.446 332 S N 0.765 116.547 115.700 0.136 0.000 2.355 332 S HA -0.144 4.325 4.470 -0.001 0.000 0.222 332 S C 1.201 175.828 174.600 0.045 0.000 1.031 332 S CA 1.375 59.609 58.200 0.057 0.000 0.993 332 S CB -0.302 62.901 63.200 0.005 0.000 0.859 332 S HN 0.702 nan 8.310 nan 0.000 0.453 333 D N -1.042 119.434 120.400 0.127 0.000 2.527 333 D HA 0.097 4.737 4.640 -0.001 0.000 0.224 333 D C 0.176 176.547 176.300 0.118 0.000 1.217 333 D CA -0.200 53.872 54.000 0.119 0.000 0.819 333 D CB -1.335 39.677 40.800 0.352 0.000 1.061 333 D HN 0.685 nan 8.370 nan 0.000 0.515 334 H N -1.125 117.937 119.070 -0.013 0.000 2.958 334 H HA -0.202 4.354 4.556 -0.001 0.000 0.274 334 H C -0.338 175.103 175.328 0.189 0.000 1.184 334 H CA 0.512 56.488 56.048 -0.120 0.000 1.143 334 H CB -1.161 28.170 29.762 -0.718 0.000 1.297 334 H HN 0.263 nan 8.280 nan 0.000 0.356 335 Q N 1.968 121.956 119.800 0.312 0.000 2.257 335 Q HA 0.402 4.741 4.340 -0.001 0.000 0.255 335 Q C -0.035 176.093 176.000 0.213 0.000 0.920 335 Q CA -0.131 55.809 55.803 0.228 0.000 0.927 335 Q CB 1.370 30.162 28.738 0.089 0.000 1.229 335 Q HN 0.301 nan 8.270 nan 0.000 0.433 336 S N 1.904 117.647 115.700 0.071 0.000 2.603 336 S HA 0.184 4.653 4.470 -0.001 0.000 0.268 336 S C 0.641 175.175 174.600 -0.110 0.000 1.317 336 S CA 0.103 58.143 58.200 -0.267 0.000 1.012 336 S CB 0.759 63.614 63.200 -0.574 0.000 0.926 336 S HN 0.822 nan 8.310 nan 0.000 0.539 337 T N 0.810 115.282 114.554 -0.137 0.000 3.252 337 T HA 0.164 4.514 4.350 -0.001 0.000 0.250 337 T C 0.710 175.358 174.700 -0.086 0.000 1.123 337 T CA -0.254 61.794 62.100 -0.087 0.000 1.006 337 T CB -0.698 68.120 68.868 -0.084 0.000 0.992 337 T HN 0.698 nan 8.240 nan 0.000 0.547 338 M N 2.331 121.882 119.600 -0.082 0.000 2.261 338 M HA 0.342 4.821 4.480 -0.001 0.000 0.350 338 M C 0.756 177.019 176.300 -0.061 0.000 1.343 338 M CA 0.269 55.549 55.300 -0.034 0.000 1.003 338 M CB 0.088 32.694 32.600 0.010 0.000 1.848 338 M HN 0.420 nan 8.290 nan 0.000 0.456 339 G N 3.040 111.779 108.800 -0.102 0.000 2.702 339 G HA2 0.859 4.819 3.960 -0.001 0.000 0.254 339 G HA3 0.859 4.819 3.960 -0.001 0.000 0.254 339 G C -1.543 173.164 174.900 -0.322 0.000 1.380 339 G CA -0.260 44.626 45.100 -0.357 0.000 1.042 339 G HN 0.969 nan 8.290 nan 0.000 0.557 340 A N -1.845 120.692 122.820 -0.471 0.000 2.564 340 A HA 0.724 5.044 4.320 -0.001 0.000 0.288 340 A C -1.689 175.746 177.584 -0.249 0.000 1.164 340 A CA -0.717 51.207 52.037 -0.188 0.000 0.712 340 A CB 1.100 20.137 19.000 0.061 0.000 1.303 340 A HN 0.592 nan 8.150 nan 0.000 0.418 341 W N 0.999 122.384 121.300 0.142 0.000 2.520 341 W HA 0.565 5.225 4.660 0.001 0.000 0.323 341 W C -1.145 175.466 176.519 0.153 0.000 1.062 341 W CA -0.464 56.978 57.345 0.163 0.000 1.215 341 W CB 1.936 31.421 29.460 0.042 0.000 1.340 341 W HN 0.476 nan 8.180 nan 0.000 0.516 342 V N 2.524 122.666 119.914 0.380 0.000 2.555 342 V HA 0.944 5.063 4.120 -0.001 0.000 0.302 342 V C 0.334 176.642 176.094 0.357 0.000 1.038 342 V CA -0.418 62.063 62.300 0.301 0.000 0.887 342 V CB 1.215 33.160 31.823 0.202 0.000 0.991 342 V HN 0.808 nan 8.190 nan 0.000 0.434 343 G N 4.132 113.123 108.800 0.319 0.000 2.428 343 G HA2 0.427 4.386 3.960 -0.001 0.000 0.305 343 G HA3 0.427 4.386 3.960 -0.001 0.000 0.305 343 G C -1.692 173.370 174.900 0.270 0.000 1.260 343 G CA -0.954 44.339 45.100 0.322 0.000 0.853 343 G HN 0.455 nan 8.290 nan 0.000 0.480 344 R N 0.338 120.989 120.500 0.251 0.000 2.532 344 R HA 0.591 4.931 4.340 -0.001 0.000 0.295 344 R C 0.066 176.484 176.300 0.197 0.000 0.968 344 R CA -0.358 55.873 56.100 0.218 0.000 0.916 344 R CB 1.651 32.059 30.300 0.180 0.000 1.124 344 R HN 0.797 nan 8.270 nan 0.000 0.463 345 T N -0.892 113.768 114.554 0.176 0.000 2.913 345 T HA 0.651 5.001 4.350 -0.001 0.000 0.297 345 T C 0.070 174.802 174.700 0.054 0.000 1.029 345 T CA -0.643 61.514 62.100 0.095 0.000 1.104 345 T CB 1.571 70.447 68.868 0.013 0.000 0.964 345 T HN 0.669 nan 8.240 nan 0.000 0.532 346 A N 2.159 124.991 122.820 0.020 0.000 2.602 346 A HA 0.704 5.024 4.320 -0.001 0.000 0.290 346 A C -1.111 176.450 177.584 -0.039 0.000 1.114 346 A CA -1.120 50.917 52.037 -0.000 0.000 0.683 346 A CB 1.189 20.205 19.000 0.027 0.000 1.281 346 A HN 0.883 nan 8.150 nan 0.000 0.416 347 L N 0.674 121.870 121.223 -0.045 0.000 2.307 347 L HA 0.707 5.046 4.340 -0.001 0.000 0.282 347 L C 0.326 177.159 176.870 -0.061 0.000 1.051 347 L CA -0.421 54.382 54.840 -0.061 0.000 0.804 347 L CB 1.523 43.549 42.059 -0.055 0.000 1.197 347 L HN 0.789 nan 8.230 nan 0.000 0.431 348 R N 3.006 123.454 120.500 -0.088 0.000 2.473 348 R HA 0.207 4.547 4.340 -0.001 0.000 0.303 348 R C -1.059 175.184 176.300 -0.095 0.000 1.002 348 R CA -0.419 55.625 56.100 -0.092 0.000 0.884 348 R CB 0.752 30.975 30.300 -0.128 0.000 1.173 348 R HN 0.658 nan 8.270 nan 0.000 0.464 349 D N 3.786 124.145 120.400 -0.068 0.000 2.708 349 D HA -0.188 4.452 4.640 -0.001 0.000 0.236 349 D C 0.637 176.903 176.300 -0.057 0.000 1.146 349 D CA 1.889 55.854 54.000 -0.059 0.000 0.662 349 D CB -1.030 39.732 40.800 -0.063 0.000 1.059 349 D HN 1.095 nan 8.370 nan 0.000 0.428 350 G N -0.597 108.172 108.800 -0.053 0.000 2.148 350 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.254 350 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.254 350 G C 0.203 175.070 174.900 -0.054 0.000 0.981 350 G CA 0.875 45.947 45.100 -0.047 0.000 0.670 350 G HN 0.519 nan 8.290 nan 0.000 0.528 351 K N -0.035 120.319 120.400 -0.076 0.000 2.316 351 K HA 0.583 4.903 4.320 -0.001 0.000 0.251 351 K C 0.557 177.091 176.600 -0.109 0.000 0.934 351 K CA -0.411 55.824 56.287 -0.088 0.000 0.802 351 K CB 2.008 34.440 32.500 -0.113 0.000 1.171 351 K HN 0.280 nan 8.250 nan 0.000 0.426 352 G N 1.249 109.996 108.800 -0.089 0.000 2.378 352 G HA2 0.403 4.363 3.960 -0.001 0.000 0.255 352 G HA3 0.403 4.363 3.960 -0.001 0.000 0.255 352 G C -0.115 174.715 174.900 -0.117 0.000 1.270 352 G CA -0.261 44.787 45.100 -0.086 0.000 0.876 352 G HN 0.371 nan 8.290 nan 0.000 0.521 353 V N 0.422 120.276 119.914 -0.099 0.000 3.167 353 V HA 0.775 4.895 4.120 -0.001 0.000 0.310 353 V C -0.075 176.065 176.094 0.077 0.000 1.207 353 V CA -1.594 60.653 62.300 -0.088 0.000 1.059 353 V CB 1.930 33.607 31.823 -0.244 0.000 1.079 353 V HN 0.667 nan 8.190 nan 0.000 0.446 354 M N 2.319 122.037 119.600 0.196 0.000 2.363 354 M HA 0.775 5.254 4.480 -0.001 0.000 0.343 354 M C -0.502 176.015 176.300 0.363 0.000 1.165 354 M CA -0.828 54.608 55.300 0.227 0.000 1.046 354 M CB 1.853 34.543 32.600 0.151 0.000 1.648 354 M HN 0.885 nan 8.290 nan 0.000 0.452 355 V N -1.692 118.423 119.914 0.335 0.000 3.074 355 V HA 0.539 4.658 4.120 -0.001 0.000 0.314 355 V C 0.044 176.288 176.094 0.251 0.000 1.117 355 V CA -0.849 61.629 62.300 0.296 0.000 1.014 355 V CB 1.883 33.795 31.823 0.149 0.000 1.057 355 V HN 0.964 nan 8.190 nan 0.000 0.438 356 D N 1.670 122.119 120.400 0.082 0.000 2.689 356 D HA -0.138 4.502 4.640 -0.001 0.000 0.237 356 D C -0.458 175.908 176.300 0.110 0.000 1.148 356 D CA 1.318 55.332 54.000 0.024 0.000 0.656 356 D CB -0.145 40.695 40.800 0.066 0.000 1.050 356 D HN 0.867 nan 8.370 nan 0.000 0.426 357 W N 0.464 121.828 121.300 0.106 0.000 2.497 357 W HA 0.648 5.308 4.660 -0.001 0.000 0.359 357 W C 0.225 176.843 176.519 0.164 0.000 1.131 357 W CA -1.001 56.433 57.345 0.148 0.000 1.280 357 W CB 0.630 30.192 29.460 0.170 0.000 1.319 357 W HN 0.015 nan 8.180 nan 0.000 0.626 358 R N 1.348 122.225 120.500 0.627 0.000 2.698 358 R HA 0.393 4.733 4.340 -0.001 0.000 0.275 358 R C -2.086 174.565 176.300 0.585 0.000 1.001 358 R CA -0.908 55.499 56.100 0.512 0.000 0.896 358 R CB 1.731 32.157 30.300 0.209 0.000 1.218 358 R HN 0.528 nan 8.270 nan 0.000 0.462 359 Y N 2.059 122.567 120.300 0.348 0.000 2.377 359 Y HA 0.316 4.866 4.550 0.000 0.000 0.330 359 Y C -0.794 175.046 175.900 -0.100 0.000 1.108 359 Y CA -0.102 57.928 58.100 -0.116 0.000 1.308 359 Y CB 1.211 39.550 38.460 -0.201 0.000 1.216 359 Y HN 0.373 nan 8.280 nan 0.000 0.518 360 V N 7.600 127.044 119.914 -0.784 0.000 2.334 360 V HA 0.139 4.258 4.120 -0.001 0.000 0.281 360 V C -0.391 175.143 176.094 -0.933 0.000 1.016 360 V CA -1.117 60.831 62.300 -0.587 0.000 0.832 360 V CB 1.042 32.693 31.823 -0.287 0.000 0.999 360 V HN 0.840 nan 8.190 nan 0.000 0.439 361 D N 3.806 123.816 120.400 -0.651 0.000 2.443 361 D HA 0.027 4.666 4.640 -0.001 0.000 0.239 361 D C 1.293 177.430 176.300 -0.272 0.000 1.136 361 D CA 0.295 54.030 54.000 -0.441 0.000 0.879 361 D CB 2.246 42.976 40.800 -0.118 0.000 1.195 361 D HN 0.507 nan 8.370 nan 0.000 0.443 362 G N 2.100 110.781 108.800 -0.198 0.000 2.422 362 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 362 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 362 G C 1.506 176.384 174.900 -0.036 0.000 1.146 362 G CA 0.757 45.795 45.100 -0.104 0.000 0.769 362 G HN 0.671 nan 8.290 nan 0.000 0.547 363 G N 0.943 109.723 108.800 -0.033 0.000 2.450 363 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.220 363 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.220 363 G C 2.158 177.064 174.900 0.010 0.000 1.130 363 G CA 1.846 46.946 45.100 -0.000 0.000 0.760 363 G HN 0.755 nan 8.290 nan 0.000 0.557 364 S N 0.073 115.763 115.700 -0.016 0.000 2.474 364 S HA -0.004 4.466 4.470 -0.001 0.000 0.235 364 S C 1.709 176.323 174.600 0.025 0.000 0.997 364 S CA 1.321 59.517 58.200 -0.007 0.000 0.949 364 S CB -0.057 63.120 63.200 -0.037 0.000 0.766 364 S HN 0.793 nan 8.310 nan 0.000 0.517 365 V N -1.810 118.135 119.914 0.051 0.000 3.070 365 V HA 0.553 4.673 4.120 -0.001 0.000 0.345 365 V C -0.198 176.053 176.094 0.262 0.000 1.403 365 V CA -0.647 61.727 62.300 0.122 0.000 1.155 365 V CB -0.501 31.369 31.823 0.078 0.000 1.140 365 V HN 0.336 nan 8.190 nan 0.000 0.505 366 L N 2.096 123.436 121.223 0.196 0.000 2.317 366 L HA 0.637 4.976 4.340 -0.001 0.000 0.281 366 L C -2.128 174.830 176.870 0.147 0.000 1.024 366 L CA -1.765 53.212 54.840 0.228 0.000 0.810 366 L CB 2.170 44.328 42.059 0.164 0.000 1.240 366 L HN 0.127 nan 8.230 nan 0.000 0.427 367 P HA 0.182 nan 4.420 nan 0.000 0.271 367 P C -2.535 174.692 177.300 -0.122 0.000 1.233 367 P CA -1.015 62.043 63.100 -0.070 0.000 0.789 367 P CB -0.230 31.291 31.700 -0.298 0.000 0.951 368 P HA 0.053 nan 4.420 nan 0.000 0.268 368 P C -1.885 175.301 177.300 -0.190 0.000 1.208 368 P CA -0.944 62.073 63.100 -0.138 0.000 0.777 368 P CB -0.649 30.969 31.700 -0.135 0.000 0.875 369 P HA -0.221 nan 4.420 nan 0.000 0.217 369 P C 1.067 178.253 177.300 -0.189 0.000 1.151 369 P CA 1.658 64.685 63.100 -0.120 0.000 0.849 369 P CB -0.029 31.635 31.700 -0.060 0.000 0.787 370 E N -1.042 119.044 120.200 -0.191 0.000 2.110 370 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 370 E C 1.972 178.370 176.600 -0.336 0.000 0.988 370 E CA 0.853 57.127 56.400 -0.211 0.000 0.804 370 E CB -1.015 28.588 29.700 -0.161 0.000 0.745 370 E HN 0.063 nan 8.360 nan 0.000 0.458 371 V N 0.671 120.312 119.914 -0.455 0.000 2.283 371 V HA -0.214 3.906 4.120 -0.001 0.000 0.243 371 V C 2.410 177.769 176.094 -1.225 0.000 1.039 371 V CA 1.640 63.479 62.300 -0.769 0.000 1.016 371 V CB -0.595 30.774 31.823 -0.756 0.000 0.650 371 V HN 0.338 nan 8.190 nan 0.000 0.449 372 V N -2.086 117.206 119.914 -1.036 0.000 2.515 372 V HA -0.161 3.959 4.120 -0.001 0.000 0.250 372 V C 2.260 178.040 176.094 -0.522 0.000 1.058 372 V CA 2.158 63.851 62.300 -1.013 0.000 1.064 372 V CB -0.937 30.576 31.823 -0.515 0.000 0.675 372 V HN 0.458 nan 8.190 nan 0.000 0.461 373 S N 1.380 116.863 115.700 -0.362 0.000 2.383 373 S HA -0.055 4.415 4.470 -0.001 0.000 0.229 373 S C 2.139 176.630 174.600 -0.183 0.000 1.030 373 S CA 1.703 59.781 58.200 -0.204 0.000 1.002 373 S CB -0.616 62.489 63.200 -0.159 0.000 0.829 373 S HN 0.944 nan 8.310 nan 0.000 0.467 374 A N -0.167 122.487 122.820 -0.276 0.000 2.167 374 A HA 0.000 4.320 4.320 -0.001 0.000 0.214 374 A C 1.363 178.945 177.584 -0.003 0.000 1.151 374 A CA 0.463 52.402 52.037 -0.163 0.000 0.735 374 A CB -0.489 18.392 19.000 -0.198 0.000 0.802 374 A HN 0.634 nan 8.150 nan 0.000 0.467 375 W N 0.593 121.779 121.300 -0.190 0.000 3.003 375 W HA 0.227 4.886 4.660 -0.002 0.000 0.257 375 W C 0.781 177.254 176.519 -0.076 0.000 1.308 375 W CA -0.420 56.822 57.345 -0.173 0.000 1.529 375 W CB -0.296 28.964 29.460 -0.332 0.000 1.115 375 W HN 0.202 nan 8.180 nan 0.000 0.659 376 R N 0.425 121.000 120.500 0.125 0.000 2.528 376 R HA 0.265 4.605 4.340 -0.001 0.000 0.271 376 R C -2.058 174.265 176.300 0.038 0.000 1.056 376 R CA -1.706 54.439 56.100 0.075 0.000 1.117 376 R CB -0.521 29.783 30.300 0.006 0.000 1.085 376 R HN -0.342 nan 8.270 nan 0.000 0.530 377 P HA -0.050 nan 4.420 nan 0.000 0.266 377 P C -0.318 176.982 177.300 0.001 0.000 1.195 377 P CA 0.304 63.414 63.100 0.017 0.000 0.768 377 P CB 0.679 32.389 31.700 0.017 0.000 0.838 378 A N 2.368 125.190 122.820 0.003 0.000 2.239 378 A HA 0.345 4.665 4.320 -0.001 0.000 0.209 378 A C 1.048 178.629 177.584 -0.005 0.000 1.171 378 A CA 1.355 53.389 52.037 -0.005 0.000 0.768 378 A CB -0.778 18.221 19.000 -0.002 0.000 0.790 378 A HN 0.650 nan 8.150 nan 0.000 0.478 379 G N 0.000 108.799 108.800 -0.001 0.000 5.446 379 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 379 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 379 G CA 0.000 45.102 45.100 0.003 0.000 0.502 379 G HN 0.000 nan 8.290 nan 0.000 0.925