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 3n2l_1_B DATA FIRST_RESID 1 DATA SEQUENCE MMKAYQREFI EFALEKQVLK FGEFTLKXXR KSPYFFNAGL FNTGRDLARL DATA SEQUENCE GRFYAAALVD SGIEFDVLFG PAYKGIPIAT TTAVALADHH DVDTPYCFNR DATA SEQUENCE KEXXXXXXXX NLVGSKLEGR VMLVDDVITA GTAIRESMEL IQANKADLAG DATA SEQUENCE VLVAIDRXXX XXXXXXAIQE VERDFGCAVI SIVSLTDLIT YLEQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 M N 0.822 120.385 119.600 -0.061 0.000 2.245 2 M HA 0.415 4.894 4.480 -0.002 0.000 0.330 2 M C -0.437 175.783 176.300 -0.132 0.000 1.098 2 M CA -0.053 55.182 55.300 -0.108 0.000 1.172 2 M CB 0.437 32.971 32.600 -0.110 0.000 1.467 2 M HN 0.387 nan 8.290 nan 0.000 0.454 3 K N 2.047 122.309 120.400 -0.230 0.000 2.230 3 K HA 0.233 4.551 4.320 -0.002 0.000 0.253 3 K C 1.160 177.637 176.600 -0.206 0.000 1.008 3 K CA 0.409 56.561 56.287 -0.226 0.000 0.910 3 K CB 0.435 32.735 32.500 -0.334 0.000 0.994 3 K HN 0.912 nan 8.250 nan 0.000 0.495 4 A N 1.597 124.381 122.820 -0.060 0.000 1.892 4 A HA -0.251 4.068 4.320 -0.002 0.000 0.218 4 A C 2.103 179.723 177.584 0.060 0.000 1.188 4 A CA 2.197 54.249 52.037 0.025 0.000 0.631 4 A CB -1.135 17.919 19.000 0.090 0.000 0.822 4 A HN 0.832 nan 8.150 nan 0.000 0.447 5 Y N -0.344 120.018 120.300 0.104 0.000 2.333 5 Y HA -0.134 4.415 4.550 -0.003 0.000 0.290 5 Y C 2.091 178.036 175.900 0.075 0.000 1.144 5 Y CA 1.509 59.717 58.100 0.179 0.000 1.228 5 Y CB -0.794 37.788 38.460 0.204 0.000 0.985 5 Y HN 0.406 nan 8.280 nan 0.000 0.542 6 Q N 0.461 119.968 119.800 -0.489 0.000 2.123 6 Q HA -0.113 4.226 4.340 -0.002 0.000 0.199 6 Q C 2.416 178.319 176.000 -0.162 0.000 0.966 6 Q CA 1.338 56.935 55.803 -0.344 0.000 0.845 6 Q CB -0.181 28.281 28.738 -0.459 0.000 0.907 6 Q HN 0.573 nan 8.270 nan 0.000 0.439 7 R N 1.246 121.678 120.500 -0.113 0.000 2.066 7 R HA -0.151 4.187 4.340 -0.002 0.000 0.232 7 R C 1.779 178.036 176.300 -0.071 0.000 1.131 7 R CA 1.499 57.579 56.100 -0.034 0.000 0.955 7 R CB 0.093 30.428 30.300 0.059 0.000 0.851 7 R HN 0.227 nan 8.270 nan 0.000 0.432 8 E N -0.326 119.869 120.200 -0.008 0.000 2.118 8 E HA -0.229 4.120 4.350 -0.002 0.000 0.195 8 E C 1.672 178.099 176.600 -0.289 0.000 0.992 8 E CA 1.474 57.884 56.400 0.016 0.000 0.804 8 E CB -0.234 29.621 29.700 0.259 0.000 0.741 8 E HN 0.324 nan 8.360 nan 0.000 0.458 9 F N 1.187 120.676 119.950 -0.768 0.000 2.146 9 F HA -0.134 4.391 4.527 -0.002 0.000 0.298 9 F C 1.884 177.432 175.800 -0.421 0.000 1.096 9 F CA 1.214 58.569 58.000 -1.074 0.000 1.275 9 F CB -0.081 38.370 39.000 -0.915 0.000 1.008 9 F HN -0.094 nan 8.300 nan 0.000 0.480 10 I N 0.337 120.603 120.570 -0.507 0.000 2.179 10 I HA -0.285 3.884 4.170 -0.002 0.000 0.242 10 I C 2.533 178.262 176.117 -0.647 0.000 1.088 10 I CA 1.837 62.753 61.300 -0.639 0.000 1.357 10 I CB -0.666 36.911 38.000 -0.706 0.000 1.051 10 I HN 0.265 nan 8.210 nan 0.000 0.409 11 E N 1.045 120.916 120.200 -0.549 0.000 2.038 11 E HA -0.295 4.053 4.350 -0.002 0.000 0.195 11 E C 2.233 178.785 176.600 -0.080 0.000 1.000 11 E CA 1.707 57.966 56.400 -0.235 0.000 0.803 11 E CB -0.196 29.503 29.700 -0.002 0.000 0.750 11 E HN 0.375 nan 8.360 nan 0.000 0.448 12 F N 1.387 121.201 119.950 -0.228 0.000 2.046 12 F HA -0.198 4.328 4.527 -0.002 0.000 0.297 12 F C 2.113 177.840 175.800 -0.120 0.000 1.123 12 F CA 2.037 59.973 58.000 -0.107 0.000 1.199 12 F CB -0.901 38.075 39.000 -0.041 0.000 0.972 12 F HN 0.086 nan 8.300 nan 0.000 0.474 13 A N 0.387 122.887 122.820 -0.533 0.000 2.019 13 A HA -0.093 4.225 4.320 -0.002 0.000 0.219 13 A C 2.314 179.706 177.584 -0.319 0.000 1.164 13 A CA 1.693 53.408 52.037 -0.537 0.000 0.644 13 A CB -1.155 17.483 19.000 -0.604 0.000 0.805 13 A HN 0.547 nan 8.150 nan 0.000 0.449 14 L N -0.217 120.856 121.223 -0.249 0.000 2.109 14 L HA -0.167 4.171 4.340 -0.002 0.000 0.207 14 L C 2.708 179.533 176.870 -0.076 0.000 1.086 14 L CA 1.481 56.249 54.840 -0.120 0.000 0.760 14 L CB -0.517 41.499 42.059 -0.072 0.000 0.910 14 L HN 0.684 nan 8.230 nan 0.000 0.437 15 E N -0.098 120.059 120.200 -0.071 0.000 2.106 15 E HA -0.196 4.152 4.350 -0.002 0.000 0.192 15 E C 1.447 178.018 176.600 -0.049 0.000 0.984 15 E CA 0.746 57.134 56.400 -0.020 0.000 0.806 15 E CB -0.137 29.584 29.700 0.035 0.000 0.750 15 E HN 0.246 nan 8.360 nan 0.000 0.458 16 K N 0.578 120.903 120.400 -0.123 0.000 2.525 16 K HA -0.011 4.307 4.320 -0.002 0.000 0.192 16 K C 0.327 176.826 176.600 -0.167 0.000 1.029 16 K CA 0.414 56.619 56.287 -0.136 0.000 1.029 16 K CB -0.035 32.349 32.500 -0.192 0.000 0.814 16 K HN 0.272 nan 8.250 nan 0.000 0.503 17 Q N -0.519 119.198 119.800 -0.139 0.000 2.461 17 Q HA -0.183 4.155 4.340 -0.002 0.000 0.264 17 Q C 0.785 176.692 176.000 -0.155 0.000 1.085 17 Q CA 0.467 56.208 55.803 -0.103 0.000 1.006 17 Q CB -1.915 26.788 28.738 -0.057 0.000 1.437 17 Q HN 0.053 nan 8.270 nan 0.000 0.514 18 V N -0.945 118.781 119.914 -0.313 0.000 2.591 18 V HA -0.042 4.076 4.120 -0.002 0.000 0.249 18 V C 0.771 176.694 176.094 -0.284 0.000 1.053 18 V CA 1.390 63.386 62.300 -0.506 0.000 1.068 18 V CB -0.063 31.079 31.823 -1.136 0.000 0.689 18 V HN 0.381 nan 8.190 nan 0.000 0.462 19 L N 1.073 122.254 121.223 -0.070 0.000 2.309 19 L HA 0.554 4.893 4.340 -0.002 0.000 0.282 19 L C -0.465 176.491 176.870 0.144 0.000 1.036 19 L CA -0.093 54.843 54.840 0.159 0.000 0.806 19 L CB 1.094 43.244 42.059 0.151 0.000 1.220 19 L HN 0.055 nan 8.230 nan 0.000 0.429 20 K N 4.625 125.169 120.400 0.239 0.000 2.502 20 K HA 0.456 4.775 4.320 -0.002 0.000 0.257 20 K C -1.810 175.100 176.600 0.518 0.000 0.938 20 K CA -0.576 55.895 56.287 0.306 0.000 0.819 20 K CB 2.602 35.246 32.500 0.240 0.000 1.333 20 K HN 0.433 nan 8.250 nan 0.000 0.434 21 F N 0.765 120.952 119.950 0.396 0.000 2.495 21 F HA 0.720 5.245 4.527 -0.002 0.000 0.327 21 F C 0.257 176.251 175.800 0.323 0.000 1.103 21 F CA 0.248 58.492 58.000 0.406 0.000 0.949 21 F CB 1.677 40.818 39.000 0.234 0.000 1.142 21 F HN 0.717 nan 8.300 nan 0.000 0.457 22 G N 4.583 113.044 108.800 -0.566 0.000 2.591 22 G HA2 0.196 4.154 3.960 -0.002 0.000 0.104 22 G HA3 0.196 4.154 3.960 -0.002 0.000 0.104 22 G C -1.690 172.664 174.900 -0.910 0.000 1.097 22 G CA -0.820 43.787 45.100 -0.822 0.000 1.076 22 G HN 0.537 nan 8.290 nan 0.000 0.485 23 E N -0.008 119.547 120.200 -1.075 0.000 2.216 23 E HA 0.620 4.969 4.350 -0.002 0.000 0.260 23 E C -1.640 174.398 176.600 -0.938 0.000 0.880 23 E CA -0.342 55.617 56.400 -0.735 0.000 0.765 23 E CB 2.054 31.497 29.700 -0.428 0.000 1.174 23 E HN 0.249 nan 8.360 nan 0.000 0.417 24 F N 0.202 120.088 119.950 -0.107 0.000 2.603 24 F HA 0.488 5.013 4.527 -0.003 0.000 0.317 24 F C 0.252 176.014 175.800 -0.064 0.000 1.066 24 F CA -0.853 57.095 58.000 -0.086 0.000 0.941 24 F CB 2.192 41.164 39.000 -0.047 0.000 1.291 24 F HN 0.081 nan 8.300 nan 0.000 0.472 25 T N 3.237 117.877 114.554 0.144 0.000 2.792 25 T HA 0.663 5.012 4.350 -0.002 0.000 0.280 25 T C -0.371 174.382 174.700 0.088 0.000 0.990 25 T CA -0.572 61.572 62.100 0.072 0.000 0.960 25 T CB 0.843 69.728 68.868 0.029 0.000 0.939 25 T HN 0.285 nan 8.240 nan 0.000 0.439 26 L N 1.887 123.151 121.223 0.068 0.000 2.365 26 L HA 0.662 5.001 4.340 -0.002 0.000 0.267 26 L C 0.350 177.247 176.870 0.046 0.000 1.033 26 L CA -1.270 53.610 54.840 0.066 0.000 0.802 26 L CB 1.200 43.290 42.059 0.052 0.000 1.267 26 L HN 0.380 nan 8.230 nan 0.000 0.457 31 K N 0.621 121.025 120.400 0.006 0.000 2.123 31 K HA 0.633 4.952 4.320 -0.002 0.000 0.248 31 K C -0.613 175.983 176.600 -0.007 0.000 0.969 31 K CA -0.629 55.659 56.287 0.002 0.000 0.882 31 K CB 2.060 34.550 32.500 -0.017 0.000 1.080 31 K HN 0.390 nan 8.250 nan 0.000 0.441 32 S N 0.805 116.505 115.700 0.001 0.000 2.536 32 S HA 0.380 4.848 4.470 -0.002 0.000 0.271 32 S C -2.365 172.248 174.600 0.022 0.000 1.134 32 S CA -1.510 56.658 58.200 -0.055 0.000 0.897 32 S CB 1.327 64.420 63.200 -0.179 0.000 1.094 32 S HN 0.396 nan 8.310 nan 0.000 0.473 33 P HA 0.150 nan 4.420 nan 0.000 0.236 33 P C -0.390 177.108 177.300 0.330 0.000 1.177 33 P CA 0.598 63.745 63.100 0.078 0.000 0.773 33 P CB -0.289 31.530 31.700 0.199 0.000 0.878 34 Y N -2.030 118.523 120.300 0.421 0.000 2.634 34 Y HA 0.758 5.306 4.550 -0.002 0.000 0.340 34 Y C -1.433 174.597 175.900 0.217 0.000 1.058 34 Y CA -2.332 56.026 58.100 0.430 0.000 1.081 34 Y CB 0.845 39.497 38.460 0.321 0.000 1.295 34 Y HN -0.245 nan 8.280 nan 0.000 0.487 35 F N 2.548 122.504 119.950 0.010 0.000 2.581 35 F HA 0.715 5.241 4.527 -0.002 0.000 0.311 35 F C -2.413 173.448 175.800 0.101 0.000 1.113 35 F CA -1.659 56.178 58.000 -0.272 0.000 0.935 35 F CB 1.811 40.148 39.000 -1.104 0.000 1.232 35 F HN 0.599 nan 8.300 nan 0.000 0.445 36 F N 6.515 126.024 119.950 -0.734 0.000 2.630 36 F HA 0.434 4.960 4.527 -0.002 0.000 0.325 36 F C -1.846 173.530 175.800 -0.708 0.000 1.184 36 F CA -0.489 57.203 58.000 -0.513 0.000 1.011 36 F CB 1.251 40.187 39.000 -0.106 0.000 1.268 36 F HN 0.490 nan 8.300 nan 0.000 0.480 37 N N 4.331 122.364 118.700 -1.112 0.000 2.577 37 N HA 0.413 5.152 4.740 -0.002 0.000 0.275 37 N C 0.119 175.173 175.510 -0.759 0.000 1.091 37 N CA 0.240 52.850 53.050 -0.733 0.000 0.843 37 N CB 1.765 39.955 38.487 -0.496 0.000 1.295 37 N HN 0.733 nan 8.380 nan 0.000 0.530 38 A N 2.205 124.676 122.820 -0.581 0.000 2.131 38 A HA 0.017 4.336 4.320 -0.002 0.000 0.220 38 A C 1.793 179.319 177.584 -0.097 0.000 1.158 38 A CA 1.611 53.500 52.037 -0.246 0.000 0.665 38 A CB -0.643 18.479 19.000 0.205 0.000 0.795 38 A HN 0.658 nan 8.150 nan 0.000 0.460 39 G N -0.570 108.141 108.800 -0.149 0.000 2.509 39 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.218 39 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.218 39 G C 1.298 176.131 174.900 -0.110 0.000 1.124 39 G CA 0.699 45.753 45.100 -0.077 0.000 0.776 39 G HN 0.485 nan 8.290 nan 0.000 0.547 40 L N -0.405 120.668 121.223 -0.250 0.000 2.418 40 L HA 0.263 4.601 4.340 -0.002 0.000 0.218 40 L C 0.378 177.109 176.870 -0.231 0.000 1.125 40 L CA -0.467 54.221 54.840 -0.253 0.000 0.835 40 L CB -0.143 41.723 42.059 -0.322 0.000 0.953 40 L HN 0.008 nan 8.230 nan 0.000 0.454 41 F N 1.801 121.696 119.950 -0.092 0.000 2.538 41 F HA 0.006 4.532 4.527 -0.002 0.000 0.371 41 F C 1.253 177.047 175.800 -0.011 0.000 1.087 41 F CA -0.212 57.763 58.000 -0.041 0.000 1.250 41 F CB 0.300 39.313 39.000 0.022 0.000 1.110 41 F HN 0.144 nan 8.300 nan 0.000 0.570 42 N N -1.027 117.796 118.700 0.205 0.000 2.143 42 N HA 0.069 4.807 4.740 -0.002 0.000 0.222 42 N C -0.327 175.241 175.510 0.098 0.000 1.264 42 N CA 0.031 53.148 53.050 0.112 0.000 0.897 42 N CB 0.125 38.647 38.487 0.058 0.000 1.092 42 N HN 0.473 nan 8.380 nan 0.000 0.516 43 T N -5.251 109.377 114.554 0.124 0.000 2.906 43 T HA 0.620 4.968 4.350 -0.002 0.000 0.295 43 T C 1.084 175.831 174.700 0.079 0.000 1.075 43 T CA -0.365 61.788 62.100 0.089 0.000 1.005 43 T CB 1.557 70.479 68.868 0.091 0.000 1.136 43 T HN -0.039 nan 8.240 nan 0.000 0.498 44 G N 0.491 109.320 108.800 0.048 0.000 2.432 44 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.219 44 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.219 44 G C 1.426 176.339 174.900 0.022 0.000 1.135 44 G CA 0.796 45.912 45.100 0.027 0.000 0.767 44 G HN 0.853 nan 8.290 nan 0.000 0.550 45 R N 0.273 120.796 120.500 0.038 0.000 2.075 45 R HA -0.065 4.274 4.340 -0.002 0.000 0.232 45 R C 2.062 178.388 176.300 0.044 0.000 1.126 45 R CA 1.567 57.684 56.100 0.029 0.000 0.963 45 R CB -0.218 30.109 30.300 0.045 0.000 0.858 45 R HN 0.185 nan 8.270 nan 0.000 0.435 46 D N 0.679 121.160 120.400 0.135 0.000 2.106 46 D HA -0.208 4.430 4.640 -0.002 0.000 0.191 46 D C 1.925 178.235 176.300 0.017 0.000 0.997 46 D CA 1.402 55.540 54.000 0.230 0.000 0.834 46 D CB -0.256 40.683 40.800 0.231 0.000 0.956 46 D HN 0.276 nan 8.370 nan 0.000 0.448 47 L N 0.527 121.741 121.223 -0.016 0.000 2.131 47 L HA -0.157 4.182 4.340 -0.002 0.000 0.210 47 L C 2.519 179.345 176.870 -0.073 0.000 1.092 47 L CA 1.009 55.819 54.840 -0.050 0.000 0.759 47 L CB -0.376 41.673 42.059 -0.016 0.000 0.903 47 L HN -0.018 nan 8.230 nan 0.000 0.435 48 A N 0.363 123.135 122.820 -0.080 0.000 1.858 48 A HA -0.208 4.110 4.320 -0.002 0.000 0.216 48 A C 2.381 179.837 177.584 -0.213 0.000 1.190 48 A CA 1.538 53.508 52.037 -0.111 0.000 0.617 48 A CB -0.471 18.474 19.000 -0.092 0.000 0.827 48 A HN 0.304 nan 8.150 nan 0.000 0.443 49 R N -1.180 119.125 120.500 -0.325 0.000 2.096 49 R HA -0.106 4.233 4.340 -0.002 0.000 0.235 49 R C 2.076 178.068 176.300 -0.514 0.000 1.127 49 R CA 1.316 57.042 56.100 -0.623 0.000 0.968 49 R CB -0.545 29.187 30.300 -0.948 0.000 0.861 49 R HN 0.466 nan 8.270 nan 0.000 0.440 50 L N 0.375 121.494 121.223 -0.173 0.000 1.994 50 L HA -0.059 4.279 4.340 -0.002 0.000 0.208 50 L C 2.235 179.222 176.870 0.196 0.000 1.071 50 L CA 2.208 57.169 54.840 0.201 0.000 0.745 50 L CB -1.125 41.023 42.059 0.148 0.000 0.892 50 L HN 0.212 nan 8.230 nan 0.000 0.431 51 G N -1.064 107.756 108.800 0.033 0.000 2.442 51 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.219 51 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.219 51 G C 1.771 176.681 174.900 0.017 0.000 1.141 51 G CA 0.829 45.951 45.100 0.036 0.000 0.763 51 G HN 0.388 nan 8.290 nan 0.000 0.554 52 R N -0.783 119.626 120.500 -0.151 0.000 2.096 52 R HA -0.018 4.320 4.340 -0.002 0.000 0.235 52 R C 2.353 178.507 176.300 -0.244 0.000 1.127 52 R CA 1.209 57.159 56.100 -0.250 0.000 0.968 52 R CB -0.417 29.586 30.300 -0.495 0.000 0.861 52 R HN 0.405 nan 8.270 nan 0.000 0.440 53 F N -0.690 119.255 119.950 -0.008 0.000 2.146 53 F HA -0.150 4.376 4.527 -0.003 0.000 0.298 53 F C 2.008 177.689 175.800 -0.197 0.000 1.096 53 F CA 0.934 58.893 58.000 -0.067 0.000 1.275 53 F CB -0.938 38.078 39.000 0.026 0.000 1.008 53 F HN -0.037 nan 8.300 nan 0.000 0.480 54 Y N 0.013 120.312 120.300 -0.002 0.000 2.181 54 Y HA -0.183 4.365 4.550 -0.003 0.000 0.288 54 Y C 2.547 178.370 175.900 -0.129 0.000 1.146 54 Y CA 1.300 59.350 58.100 -0.083 0.000 1.164 54 Y CB -0.954 37.478 38.460 -0.047 0.000 0.982 54 Y HN 0.023 nan 8.280 nan 0.000 0.515 55 A N -0.127 122.719 122.820 0.044 0.000 1.902 55 A HA -0.142 4.176 4.320 -0.002 0.000 0.217 55 A C 2.420 179.835 177.584 -0.282 0.000 1.181 55 A CA 1.748 53.741 52.037 -0.073 0.000 0.623 55 A CB -1.252 17.764 19.000 0.027 0.000 0.818 55 A HN 0.413 nan 8.150 nan 0.000 0.443 56 A N -0.072 122.578 122.820 -0.283 0.000 1.902 56 A HA 0.141 4.460 4.320 -0.002 0.000 0.217 56 A C 2.512 179.694 177.584 -0.669 0.000 1.181 56 A CA 2.146 53.884 52.037 -0.499 0.000 0.623 56 A CB -1.042 17.610 19.000 -0.580 0.000 0.818 56 A HN 1.071 nan 8.150 nan 0.000 0.443 57 A N -0.813 121.655 122.820 -0.586 0.000 1.902 57 A HA -0.042 4.276 4.320 -0.002 0.000 0.217 57 A C 2.104 179.580 177.584 -0.181 0.000 1.181 57 A CA 1.787 53.614 52.037 -0.350 0.000 0.623 57 A CB -0.547 18.313 19.000 -0.234 0.000 0.818 57 A HN 0.492 nan 8.150 nan 0.000 0.443 58 L N -0.347 120.786 121.223 -0.150 0.000 2.056 58 L HA -0.068 4.270 4.340 -0.002 0.000 0.207 58 L C 2.525 179.367 176.870 -0.047 0.000 1.078 58 L CA 1.561 56.368 54.840 -0.056 0.000 0.749 58 L CB -0.608 41.443 42.059 -0.013 0.000 0.901 58 L HN 0.180 nan 8.230 nan 0.000 0.433 59 V N -0.284 119.534 119.914 -0.161 0.000 2.295 59 V HA -0.298 3.820 4.120 -0.002 0.000 0.246 59 V C 2.319 178.362 176.094 -0.085 0.000 1.049 59 V CA 1.973 64.179 62.300 -0.157 0.000 1.024 59 V CB -0.630 30.996 31.823 -0.330 0.000 0.648 59 V HN 0.484 nan 8.190 nan 0.000 0.447 60 D N 0.269 120.605 120.400 -0.106 0.000 2.178 60 D HA -0.155 4.484 4.640 -0.002 0.000 0.201 60 D C 2.308 178.616 176.300 0.014 0.000 0.980 60 D CA 1.555 55.546 54.000 -0.016 0.000 0.842 60 D CB -0.103 40.721 40.800 0.040 0.000 0.948 60 D HN 0.551 nan 8.370 nan 0.000 0.472 61 S N -1.041 114.661 115.700 0.003 0.000 2.423 61 S HA 0.037 4.505 4.470 -0.002 0.000 0.231 61 S C 1.993 176.610 174.600 0.029 0.000 1.014 61 S CA 1.165 59.377 58.200 0.020 0.000 0.965 61 S CB -0.603 62.606 63.200 0.017 0.000 0.785 61 S HN 0.495 nan 8.310 nan 0.000 0.495 62 G N 1.024 109.842 108.800 0.030 0.000 2.153 62 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.252 62 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.252 62 G C -0.006 174.925 174.900 0.052 0.000 0.994 62 G CA 0.380 45.499 45.100 0.032 0.000 0.698 62 G HN 0.636 nan 8.290 nan 0.000 0.521 63 I N 0.834 121.457 120.570 0.087 0.000 2.441 63 I HA 0.253 4.421 4.170 -0.002 0.000 0.287 63 I C 0.757 176.986 176.117 0.187 0.000 1.049 63 I CA -0.529 60.842 61.300 0.119 0.000 1.381 63 I CB 1.149 39.220 38.000 0.118 0.000 1.409 63 I HN 0.083 nan 8.210 nan 0.000 0.523 64 E N 7.886 128.160 120.200 0.122 0.000 2.301 64 E HA 0.392 4.740 4.350 -0.002 0.000 0.275 64 E C -1.412 175.296 176.600 0.179 0.000 1.030 64 E CA -0.305 56.130 56.400 0.058 0.000 0.852 64 E CB 1.365 31.063 29.700 -0.004 0.000 1.060 64 E HN 0.408 nan 8.360 nan 0.000 0.401 65 F N 1.089 121.045 119.950 0.010 0.000 2.678 65 F HA 0.415 4.941 4.527 -0.002 0.000 0.308 65 F C -0.115 175.698 175.800 0.021 0.000 1.118 65 F CA -0.886 57.124 58.000 0.017 0.000 0.959 65 F CB 0.988 40.002 39.000 0.023 0.000 1.305 65 F HN 0.173 nan 8.300 nan 0.000 0.443 66 D N 1.081 121.595 120.400 0.189 0.000 2.388 66 D HA 0.213 4.852 4.640 -0.002 0.000 0.208 66 D C -0.143 176.273 176.300 0.194 0.000 1.035 66 D CA 0.893 54.946 54.000 0.087 0.000 0.875 66 D CB 1.609 42.448 40.800 0.064 0.000 0.984 66 D HN 0.234 nan 8.370 nan 0.000 0.508 67 V N 1.539 121.660 119.914 0.345 0.000 2.808 67 V HA 0.274 4.392 4.120 -0.002 0.000 0.308 67 V C -0.951 175.341 176.094 0.331 0.000 1.099 67 V CA -0.996 61.485 62.300 0.301 0.000 0.920 67 V CB 2.966 34.904 31.823 0.191 0.000 1.014 67 V HN -0.112 nan 8.190 nan 0.000 0.425 68 L N 4.390 125.782 121.223 0.282 0.000 2.275 68 L HA 0.661 4.999 4.340 -0.002 0.000 0.288 68 L C -1.010 175.961 176.870 0.168 0.000 1.046 68 L CA 0.094 55.004 54.840 0.116 0.000 0.805 68 L CB 0.876 43.014 42.059 0.131 0.000 1.193 68 L HN 0.603 nan 8.230 nan 0.000 0.426 69 F N 3.602 123.539 119.950 -0.022 0.000 2.495 69 F HA 0.776 5.301 4.527 -0.003 0.000 0.327 69 F C 0.332 176.134 175.800 0.003 0.000 1.103 69 F CA -0.468 57.532 58.000 -0.001 0.000 0.949 69 F CB 1.888 40.866 39.000 -0.035 0.000 1.142 69 F HN 0.530 nan 8.300 nan 0.000 0.457 70 G N 5.393 113.972 108.800 -0.368 0.000 2.574 70 G HA2 0.555 4.513 3.960 -0.002 0.000 0.306 70 G HA3 0.555 4.513 3.960 -0.002 0.000 0.306 70 G C -3.244 171.565 174.900 -0.152 0.000 1.334 70 G CA -1.835 43.182 45.100 -0.137 0.000 0.954 70 G HN 0.347 nan 8.290 nan 0.000 0.500 71 P HA 0.303 nan 4.420 nan 0.000 0.271 71 P C 0.256 177.559 177.300 0.005 0.000 1.216 71 P CA -0.115 63.082 63.100 0.163 0.000 0.776 71 P CB 1.121 32.913 31.700 0.153 0.000 0.881 72 A N 2.904 125.690 122.820 -0.056 0.000 2.477 72 A HA 0.097 4.416 4.320 -0.002 0.000 0.246 72 A C 0.055 177.566 177.584 -0.122 0.000 1.078 72 A CA 0.429 52.318 52.037 -0.246 0.000 0.770 72 A CB -0.476 18.233 19.000 -0.485 0.000 1.011 72 A HN 0.608 nan 8.150 nan 0.000 0.494 73 Y N 0.958 121.261 120.300 0.005 0.000 2.500 73 Y HA 0.064 4.613 4.550 -0.002 0.000 0.284 73 Y C 2.133 178.001 175.900 -0.054 0.000 1.118 73 Y CA 1.029 59.111 58.100 -0.030 0.000 1.241 73 Y CB 0.148 38.593 38.460 -0.025 0.000 1.171 73 Y HN 0.693 nan 8.280 nan 0.000 0.540 74 K N -0.110 120.367 120.400 0.129 0.000 2.209 74 K HA -0.090 4.229 4.320 -0.002 0.000 0.204 74 K C 2.225 178.832 176.600 0.013 0.000 1.048 74 K CA 1.081 57.407 56.287 0.066 0.000 0.940 74 K CB -0.458 32.083 32.500 0.069 0.000 0.729 74 K HN 0.383 nan 8.250 nan 0.000 0.451 75 G N 1.315 110.115 108.800 -0.001 0.000 2.470 75 G HA2 -0.190 3.768 3.960 -0.002 0.000 0.220 75 G HA3 -0.190 3.768 3.960 -0.002 0.000 0.220 75 G C 1.413 176.247 174.900 -0.110 0.000 1.121 75 G CA 0.440 45.516 45.100 -0.041 0.000 0.766 75 G HN 0.137 nan 8.290 nan 0.000 0.553 76 I N 1.572 122.048 120.570 -0.157 0.000 2.133 76 I HA -0.072 4.097 4.170 -0.002 0.000 0.238 76 I C 0.151 176.133 176.117 -0.225 0.000 1.074 76 I CA 0.935 62.045 61.300 -0.318 0.000 1.342 76 I CB -0.941 36.726 38.000 -0.556 0.000 1.053 76 I HN 0.097 nan 8.210 nan 0.000 0.404 77 P HA -0.132 nan 4.420 nan 0.000 0.220 77 P C 1.869 179.103 177.300 -0.111 0.000 1.148 77 P CA 1.624 64.657 63.100 -0.110 0.000 0.803 77 P CB -0.036 31.631 31.700 -0.055 0.000 0.782 78 I N 0.164 120.654 120.570 -0.133 0.000 2.202 78 I HA -0.196 3.972 4.170 -0.002 0.000 0.242 78 I C 2.615 178.583 176.117 -0.248 0.000 1.091 78 I CA 1.436 62.591 61.300 -0.241 0.000 1.368 78 I CB -0.800 36.994 38.000 -0.343 0.000 1.058 78 I HN -0.086 nan 8.210 nan 0.000 0.410 79 A N 0.299 123.021 122.820 -0.163 0.000 1.933 79 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 79 A C 2.367 179.920 177.584 -0.051 0.000 1.175 79 A CA 2.349 54.339 52.037 -0.079 0.000 0.628 79 A CB -1.022 17.984 19.000 0.010 0.000 0.814 79 A HN 0.383 nan 8.150 nan 0.000 0.444 80 T N -1.065 113.443 114.554 -0.077 0.000 2.737 80 T HA -0.130 4.219 4.350 -0.002 0.000 0.265 80 T C 2.112 176.725 174.700 -0.145 0.000 1.038 80 T CA 1.986 63.995 62.100 -0.152 0.000 1.144 80 T CB -0.518 68.262 68.868 -0.146 0.000 0.866 80 T HN 0.582 nan 8.240 nan 0.000 0.434 81 T N 0.879 115.366 114.554 -0.111 0.000 2.904 81 T HA -0.081 4.267 4.350 -0.002 0.000 0.267 81 T C 2.069 176.734 174.700 -0.058 0.000 1.059 81 T CA 1.568 63.618 62.100 -0.084 0.000 1.137 81 T CB -0.672 68.155 68.868 -0.069 0.000 0.879 81 T HN 0.360 nan 8.240 nan 0.000 0.467 82 T N 1.515 116.027 114.554 -0.070 0.000 2.777 82 T HA 0.091 4.439 4.350 -0.002 0.000 0.266 82 T C 2.253 176.957 174.700 0.007 0.000 1.040 82 T CA 1.175 63.262 62.100 -0.022 0.000 1.141 82 T CB -0.597 68.238 68.868 -0.055 0.000 0.868 82 T HN 0.481 nan 8.240 nan 0.000 0.444 83 A N 0.897 123.706 122.820 -0.018 0.000 1.930 83 A HA -0.008 4.310 4.320 -0.002 0.000 0.217 83 A C 2.554 180.122 177.584 -0.027 0.000 1.175 83 A CA 1.080 53.114 52.037 -0.005 0.000 0.627 83 A CB -0.895 18.068 19.000 -0.061 0.000 0.815 83 A HN 0.353 nan 8.150 nan 0.000 0.443 84 V N -0.179 119.699 119.914 -0.060 0.000 2.295 84 V HA -0.240 3.879 4.120 -0.002 0.000 0.246 84 V C 3.054 179.138 176.094 -0.016 0.000 1.049 84 V CA 1.949 64.213 62.300 -0.060 0.000 1.024 84 V CB -1.164 30.616 31.823 -0.072 0.000 0.648 84 V HN 0.607 nan 8.190 nan 0.000 0.447 85 A N -0.377 122.467 122.820 0.040 0.000 1.898 85 A HA -0.140 4.179 4.320 -0.002 0.000 0.216 85 A C 2.223 179.925 177.584 0.197 0.000 1.181 85 A CA 1.673 53.799 52.037 0.149 0.000 0.620 85 A CB -0.552 18.528 19.000 0.133 0.000 0.819 85 A HN 0.481 nan 8.150 nan 0.000 0.442 86 L N -0.738 120.581 121.223 0.161 0.000 2.013 86 L HA -0.268 4.071 4.340 -0.002 0.000 0.212 86 L C 3.110 180.052 176.870 0.119 0.000 1.073 86 L CA 1.368 56.317 54.840 0.181 0.000 0.753 86 L CB -0.508 41.624 42.059 0.123 0.000 0.890 86 L HN 0.461 nan 8.230 nan 0.000 0.432 87 A N -0.675 122.167 122.820 0.036 0.000 1.898 87 A HA -0.194 4.125 4.320 -0.002 0.000 0.216 87 A C 1.944 179.481 177.584 -0.078 0.000 1.181 87 A CA 1.831 53.858 52.037 -0.016 0.000 0.620 87 A CB -0.398 18.579 19.000 -0.038 0.000 0.819 87 A HN 0.349 nan 8.150 nan 0.000 0.442 88 D N -1.355 118.954 120.400 -0.152 0.000 2.137 88 D HA -0.043 4.595 4.640 -0.002 0.000 0.202 88 D C 1.490 177.472 176.300 -0.529 0.000 0.970 88 D CA 1.078 54.855 54.000 -0.372 0.000 0.837 88 D CB -0.234 40.220 40.800 -0.577 0.000 0.981 88 D HN 0.585 nan 8.370 nan 0.000 0.475 89 H N -1.254 117.737 119.070 -0.132 0.000 2.654 89 H HA 0.164 4.718 4.556 -0.003 0.000 0.264 89 H C 0.829 175.854 175.328 -0.504 0.000 0.954 89 H CA 0.506 56.364 56.048 -0.317 0.000 1.199 89 H CB 0.729 30.250 29.762 -0.401 0.000 1.446 89 H HN 0.319 nan 8.280 nan 0.000 0.516 90 H N -0.227 118.864 119.070 0.035 0.000 3.058 90 H HA 0.053 4.607 4.556 -0.003 0.000 0.266 90 H C -0.065 175.256 175.328 -0.011 0.000 1.135 90 H CA 0.052 56.109 56.048 0.015 0.000 1.174 90 H CB 1.258 31.030 29.762 0.016 0.000 1.581 90 H HN 0.152 nan 8.280 nan 0.000 0.553 91 D N 1.318 121.743 120.400 0.041 0.000 2.689 91 D HA -0.162 4.476 4.640 -0.002 0.000 0.237 91 D C -0.954 175.359 176.300 0.022 0.000 1.148 91 D CA 0.269 54.274 54.000 0.009 0.000 0.656 91 D CB -1.301 39.497 40.800 -0.003 0.000 1.050 91 D HN 0.076 nan 8.370 nan 0.000 0.426 92 V N 1.581 121.519 119.914 0.040 0.000 2.376 92 V HA 0.294 4.412 4.120 -0.002 0.000 0.287 92 V C 0.065 176.166 176.094 0.013 0.000 1.015 92 V CA -0.784 61.524 62.300 0.013 0.000 0.834 92 V CB 1.790 33.624 31.823 0.018 0.000 1.001 92 V HN 0.166 nan 8.190 nan 0.000 0.428 93 D N 3.474 123.870 120.400 -0.005 0.000 2.485 93 D HA 0.201 4.839 4.640 -0.002 0.000 0.221 93 D C 0.047 176.357 176.300 0.017 0.000 1.112 93 D CA 0.156 54.158 54.000 0.003 0.000 0.911 93 D CB 1.124 41.920 40.800 -0.006 0.000 1.019 93 D HN 0.494 nan 8.370 nan 0.000 0.516 94 T N 3.230 117.817 114.554 0.056 0.000 2.799 94 T HA 0.496 4.845 4.350 -0.002 0.000 0.286 94 T C -2.374 172.415 174.700 0.148 0.000 0.973 94 T CA -1.886 60.276 62.100 0.104 0.000 1.035 94 T CB 0.895 69.901 68.868 0.230 0.000 0.932 94 T HN 0.155 nan 8.240 nan 0.000 0.469 95 P HA 0.170 nan 4.420 nan 0.000 0.266 95 P C -1.395 176.068 177.300 0.272 0.000 1.195 95 P CA 0.009 63.218 63.100 0.181 0.000 0.768 95 P CB 0.103 31.877 31.700 0.123 0.000 0.838 96 Y N 1.758 122.098 120.300 0.066 0.000 2.602 96 Y HA 0.790 5.338 4.550 -0.003 0.000 0.342 96 Y C -1.112 174.802 175.900 0.023 0.000 1.029 96 Y CA -1.817 56.320 58.100 0.062 0.000 1.080 96 Y CB 0.909 39.403 38.460 0.056 0.000 1.284 96 Y HN 0.628 nan 8.280 nan 0.000 0.485 97 C N 3.686 122.764 119.300 -0.370 0.000 3.239 97 C HA 0.859 5.317 4.460 -0.002 0.000 0.329 97 C C -1.671 172.881 174.990 -0.730 0.000 1.252 97 C CA -0.925 57.729 59.018 -0.606 0.000 1.323 97 C CB 0.310 27.930 27.740 -0.201 0.000 1.663 97 C HN 1.034 nan 8.230 nan 0.000 0.487 98 F N 3.058 122.501 119.950 -0.844 0.000 2.685 98 F HA 0.743 5.269 4.527 -0.002 0.000 0.315 98 F C -0.751 174.723 175.800 -0.543 0.000 1.126 98 F CA -0.769 56.643 58.000 -0.981 0.000 0.950 98 F CB 1.002 39.661 39.000 -0.569 0.000 1.360 98 F HN 0.672 nan 8.300 nan 0.000 0.469 99 N N 0.503 119.137 118.700 -0.109 0.000 2.404 99 N HA 0.439 5.177 4.740 -0.002 0.000 0.297 99 N C -1.426 174.106 175.510 0.038 0.000 1.163 99 N CA -0.879 52.184 53.050 0.022 0.000 0.864 99 N CB 1.889 40.489 38.487 0.187 0.000 1.247 99 N HN 0.772 nan 8.380 nan 0.000 0.510 100 R N 0.837 121.328 120.500 -0.014 0.000 2.308 100 R HA 0.196 4.535 4.340 -0.002 0.000 0.305 100 R C 1.093 177.354 176.300 -0.065 0.000 1.053 100 R CA -0.587 55.491 56.100 -0.036 0.000 0.957 100 R CB 1.487 31.779 30.300 -0.013 0.000 1.022 100 R HN 0.599 nan 8.270 nan 0.000 0.461 101 K N 1.608 121.919 120.400 -0.148 0.000 2.103 101 K HA -0.171 4.148 4.320 -0.002 0.000 0.207 101 K C 0.968 177.559 176.600 -0.015 0.000 1.048 101 K CA 0.985 57.221 56.287 -0.084 0.000 0.930 101 K CB -0.023 32.427 32.500 -0.083 0.000 0.716 101 K HN 0.634 nan 8.250 nan 0.000 0.444 112 L N 1.227 122.387 121.223 -0.105 0.000 2.362 112 L HA 0.780 5.118 4.340 -0.002 0.000 0.271 112 L C -0.735 175.939 176.870 -0.327 0.000 1.002 112 L CA -1.100 53.629 54.840 -0.184 0.000 0.818 112 L CB 2.176 44.169 42.059 -0.110 0.000 1.298 112 L HN 0.237 nan 8.230 nan 0.000 0.420 113 V N 1.594 121.132 119.914 -0.626 0.000 2.531 113 V HA 0.938 5.056 4.120 -0.002 0.000 0.301 113 V C 0.366 175.911 176.094 -0.915 0.000 1.034 113 V CA 0.156 61.969 62.300 -0.810 0.000 0.865 113 V CB 1.086 32.153 31.823 -1.260 0.000 0.995 113 V HN 1.075 nan 8.190 nan 0.000 0.424 114 G N 4.008 112.478 108.800 -0.551 0.000 2.301 114 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.194 114 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.194 114 G C -0.205 174.551 174.900 -0.241 0.000 1.266 114 G CA -0.197 44.609 45.100 -0.490 0.000 1.210 114 G HN 0.738 nan 8.290 nan 0.000 0.524 115 S N 0.394 115.990 115.700 -0.173 0.000 2.593 115 S HA 0.449 4.918 4.470 -0.002 0.000 0.269 115 S C 0.603 175.164 174.600 -0.066 0.000 1.334 115 S CA 0.024 58.189 58.200 -0.059 0.000 1.015 115 S CB 1.222 64.432 63.200 0.017 0.000 0.912 115 S HN 0.725 nan 8.310 nan 0.000 0.541 116 K N 1.012 121.393 120.400 -0.031 0.000 2.489 116 K HA 0.042 4.361 4.320 -0.002 0.000 0.278 116 K C -0.691 175.911 176.600 0.002 0.000 1.000 116 K CA -0.330 55.945 56.287 -0.021 0.000 1.012 116 K CB 0.128 32.621 32.500 -0.011 0.000 0.903 116 K HN 0.300 nan 8.250 nan 0.000 0.485 117 L N 5.705 126.932 121.223 0.006 0.000 2.295 117 L HA 0.165 4.503 4.340 -0.002 0.000 0.288 117 L C -0.695 176.186 176.870 0.018 0.000 1.079 117 L CA 0.711 55.568 54.840 0.028 0.000 0.830 117 L CB -0.166 41.910 42.059 0.028 0.000 1.200 117 L HN 0.760 nan 8.230 nan 0.000 0.438 118 E N 3.063 123.281 120.200 0.029 0.000 2.392 118 E HA 0.746 5.094 4.350 -0.002 0.000 0.279 118 E C 0.063 176.683 176.600 0.033 0.000 0.964 118 E CA -0.590 55.823 56.400 0.022 0.000 0.777 118 E CB 1.055 30.765 29.700 0.016 0.000 1.249 118 E HN 0.661 nan 8.360 nan 0.000 0.449 119 G N 1.765 110.581 108.800 0.026 0.000 2.509 119 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.259 119 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.259 119 G C -0.651 174.275 174.900 0.044 0.000 1.169 119 G CA -0.071 45.049 45.100 0.033 0.000 0.953 119 G HN 0.645 nan 8.290 nan 0.000 0.563 120 R N -0.573 119.967 120.500 0.066 0.000 2.312 120 R HA 0.572 4.911 4.340 -0.002 0.000 0.311 120 R C -0.507 175.871 176.300 0.129 0.000 1.004 120 R CA -0.540 55.611 56.100 0.086 0.000 0.902 120 R CB 1.862 32.222 30.300 0.099 0.000 1.073 120 R HN 0.419 nan 8.270 nan 0.000 0.457 121 V N 4.493 124.454 119.914 0.078 0.000 2.409 121 V HA 0.301 4.419 4.120 -0.002 0.000 0.291 121 V C -0.394 175.700 176.094 -0.001 0.000 1.020 121 V CA -0.798 61.540 62.300 0.062 0.000 0.848 121 V CB 1.485 33.301 31.823 -0.010 0.000 0.990 121 V HN 0.671 nan 8.190 nan 0.000 0.430 122 M N 6.501 126.061 119.600 -0.067 0.000 2.129 122 M HA 0.622 5.100 4.480 -0.002 0.000 0.348 122 M C -1.261 174.955 176.300 -0.139 0.000 1.116 122 M CA -0.079 55.089 55.300 -0.220 0.000 1.022 122 M CB 0.929 33.126 32.600 -0.672 0.000 1.599 122 M HN 0.467 nan 8.290 nan 0.000 0.449 123 L N 5.807 126.985 121.223 -0.076 0.000 2.343 123 L HA 0.771 5.109 4.340 -0.002 0.000 0.275 123 L C -0.726 176.138 176.870 -0.010 0.000 1.056 123 L CA -0.386 54.464 54.840 0.016 0.000 0.804 123 L CB 1.770 43.833 42.059 0.007 0.000 1.203 123 L HN 0.650 nan 8.230 nan 0.000 0.440 124 V N -1.442 118.481 119.914 0.015 0.000 2.735 124 V HA 0.860 4.979 4.120 -0.002 0.000 0.310 124 V C -0.993 175.104 176.094 0.005 0.000 1.061 124 V CA -0.498 61.803 62.300 0.002 0.000 0.913 124 V CB 1.913 33.671 31.823 -0.109 0.000 1.005 124 V HN 0.725 nan 8.190 nan 0.000 0.428 125 D N 1.034 121.483 120.400 0.083 0.000 2.692 125 D HA 0.264 4.902 4.640 -0.002 0.000 0.303 125 D C -0.011 176.439 176.300 0.251 0.000 1.278 125 D CA 0.305 54.367 54.000 0.103 0.000 0.852 125 D CB 2.582 43.437 40.800 0.093 0.000 1.375 125 D HN 0.737 nan 8.370 nan 0.000 0.453 126 D N -0.623 119.942 120.400 0.276 0.000 2.106 126 D HA -0.027 4.611 4.640 -0.002 0.000 0.203 126 D C 0.962 177.478 176.300 0.360 0.000 0.977 126 D CA 1.374 55.655 54.000 0.467 0.000 0.844 126 D CB -0.287 40.801 40.800 0.480 0.000 1.002 126 D HN 0.209 nan 8.370 nan 0.000 0.461 127 V N -2.901 117.163 119.914 0.250 0.000 3.040 127 V HA 0.429 4.548 4.120 -0.002 0.000 0.312 127 V C 0.833 177.010 176.094 0.138 0.000 1.115 127 V CA -1.009 61.408 62.300 0.195 0.000 0.998 127 V CB 1.963 33.922 31.823 0.227 0.000 1.042 127 V HN -0.007 nan 8.190 nan 0.000 0.433 128 I N 2.486 123.133 120.570 0.127 0.000 3.059 128 I HA -0.030 4.139 4.170 -0.002 0.000 0.270 128 I C 2.271 178.441 176.117 0.090 0.000 1.238 128 I CA 2.017 63.374 61.300 0.095 0.000 1.478 128 I CB 0.022 38.074 38.000 0.086 0.000 1.097 128 I HN 1.020 nan 8.210 nan 0.000 0.455 129 T N -1.618 112.996 114.554 0.100 0.000 3.227 129 T HA 0.105 4.454 4.350 -0.002 0.000 0.257 129 T C 1.334 176.072 174.700 0.064 0.000 1.162 129 T CA 0.470 62.613 62.100 0.073 0.000 1.051 129 T CB -0.679 68.222 68.868 0.055 0.000 0.953 129 T HN 0.284 nan 8.240 nan 0.000 0.535 130 A N 0.862 123.724 122.820 0.069 0.000 2.543 130 A HA 0.644 4.963 4.320 -0.002 0.000 0.258 130 A C 1.925 179.540 177.584 0.051 0.000 1.391 130 A CA 0.041 52.115 52.037 0.062 0.000 1.066 130 A CB -1.248 17.794 19.000 0.071 0.000 0.972 130 A HN 0.526 nan 8.150 nan 0.000 0.560 131 G N 0.270 109.102 108.800 0.052 0.000 2.739 131 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.216 131 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.216 131 G C 1.636 176.560 174.900 0.041 0.000 1.298 131 G CA 1.770 46.900 45.100 0.050 0.000 0.804 131 G HN 0.468 nan 8.290 nan 0.000 0.623 132 T N 1.078 115.661 114.554 0.048 0.000 2.649 132 T HA -0.211 4.138 4.350 -0.002 0.000 0.268 132 T C 2.599 177.319 174.700 0.034 0.000 1.036 132 T CA 2.872 65.000 62.100 0.045 0.000 1.157 132 T CB -0.614 68.282 68.868 0.048 0.000 0.861 132 T HN 0.501 nan 8.240 nan 0.000 0.445 133 A N 0.238 123.080 122.820 0.036 0.000 1.898 133 A HA 0.076 4.395 4.320 -0.002 0.000 0.216 133 A C 2.340 179.930 177.584 0.010 0.000 1.181 133 A CA 1.558 53.614 52.037 0.032 0.000 0.620 133 A CB -0.629 18.399 19.000 0.048 0.000 0.819 133 A HN 0.655 nan 8.150 nan 0.000 0.442 134 I N -0.878 119.688 120.570 -0.007 0.000 2.193 134 I HA -0.231 3.938 4.170 -0.002 0.000 0.240 134 I C 2.739 178.755 176.117 -0.168 0.000 1.084 134 I CA 1.135 62.396 61.300 -0.065 0.000 1.365 134 I CB -0.368 37.598 38.000 -0.056 0.000 1.064 134 I HN 0.261 nan 8.210 nan 0.000 0.410 135 R N 0.794 121.217 120.500 -0.129 0.000 2.096 135 R HA -0.220 4.119 4.340 -0.002 0.000 0.240 135 R C 2.173 178.402 176.300 -0.118 0.000 1.139 135 R CA 1.749 57.752 56.100 -0.162 0.000 0.952 135 R CB -0.559 29.799 30.300 0.095 0.000 0.854 135 R HN 0.493 nan 8.270 nan 0.000 0.436 136 E N 0.366 120.544 120.200 -0.038 0.000 2.031 136 E HA -0.150 4.198 4.350 -0.002 0.000 0.193 136 E C 2.209 178.767 176.600 -0.070 0.000 0.994 136 E CA 1.500 57.891 56.400 -0.016 0.000 0.800 136 E CB -0.046 29.661 29.700 0.011 0.000 0.752 136 E HN 0.208 nan 8.360 nan 0.000 0.447 137 S N 0.739 116.384 115.700 -0.091 0.000 2.374 137 S HA -0.203 4.266 4.470 -0.002 0.000 0.227 137 S C 1.988 176.381 174.600 -0.345 0.000 1.037 137 S CA 1.345 59.446 58.200 -0.165 0.000 1.024 137 S CB -0.175 62.985 63.200 -0.068 0.000 0.861 137 S HN 0.220 nan 8.310 nan 0.000 0.456 138 M N 0.843 120.214 119.600 -0.382 0.000 2.117 138 M HA -0.135 4.344 4.480 -0.002 0.000 0.262 138 M C 2.170 178.326 176.300 -0.240 0.000 1.065 138 M CA 1.375 56.378 55.300 -0.495 0.000 1.114 138 M CB -0.436 31.533 32.600 -1.052 0.000 1.361 138 M HN 0.289 nan 8.290 nan 0.000 0.408 139 E N 0.453 120.601 120.200 -0.086 0.000 2.072 139 E HA -0.198 4.150 4.350 -0.002 0.000 0.191 139 E C 1.965 178.563 176.600 -0.003 0.000 0.985 139 E CA 1.105 57.556 56.400 0.086 0.000 0.801 139 E CB -0.217 29.556 29.700 0.123 0.000 0.750 139 E HN 0.411 nan 8.360 nan 0.000 0.452 140 L N 0.914 122.099 121.223 -0.064 0.000 2.046 140 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 140 L C 2.110 178.914 176.870 -0.111 0.000 1.077 140 L CA 1.314 56.111 54.840 -0.072 0.000 0.747 140 L CB -0.083 41.938 42.059 -0.063 0.000 0.896 140 L HN 0.119 nan 8.230 nan 0.000 0.432 141 I N -0.551 119.892 120.570 -0.212 0.000 2.142 141 I HA -0.342 3.826 4.170 -0.002 0.000 0.240 141 I C 2.592 178.651 176.117 -0.096 0.000 1.078 141 I CA 1.618 62.791 61.300 -0.213 0.000 1.343 141 I CB -0.453 37.345 38.000 -0.336 0.000 1.046 141 I HN 0.389 nan 8.210 nan 0.000 0.405 142 Q N 0.547 120.313 119.800 -0.057 0.000 2.096 142 Q HA -0.203 4.135 4.340 -0.002 0.000 0.204 142 Q C 2.423 178.422 176.000 -0.002 0.000 0.982 142 Q CA 1.721 57.523 55.803 -0.002 0.000 0.850 142 Q CB -0.340 28.433 28.738 0.058 0.000 0.901 142 Q HN 0.592 nan 8.270 nan 0.000 0.422 143 A N 1.414 124.231 122.820 -0.005 0.000 2.070 143 A HA -0.149 4.169 4.320 -0.002 0.000 0.220 143 A C 1.482 179.060 177.584 -0.010 0.000 1.159 143 A CA 1.120 53.155 52.037 -0.003 0.000 0.656 143 A CB -0.273 18.726 19.000 -0.002 0.000 0.800 143 A HN 0.324 nan 8.150 nan 0.000 0.453 144 N N -0.832 117.856 118.700 -0.020 0.000 2.314 144 N HA 0.056 4.795 4.740 -0.002 0.000 0.200 144 N C -0.311 175.191 175.510 -0.013 0.000 1.135 144 N CA 0.293 53.332 53.050 -0.018 0.000 0.835 144 N CB 0.463 38.936 38.487 -0.024 0.000 0.989 144 N HN 0.207 nan 8.380 nan 0.000 0.478 145 K N -1.176 119.218 120.400 -0.010 0.000 3.500 145 K HA -0.160 4.159 4.320 -0.002 0.000 0.313 145 K C -0.135 176.463 176.600 -0.004 0.000 1.338 145 K CA 0.788 57.072 56.287 -0.004 0.000 0.963 145 K CB -1.864 30.634 32.500 -0.003 0.000 1.267 145 K HN 0.370 nan 8.250 nan 0.000 0.448 146 A N 0.335 123.149 122.820 -0.011 0.000 2.252 146 A HA 0.573 4.892 4.320 -0.002 0.000 0.305 146 A C -0.129 177.451 177.584 -0.008 0.000 1.097 146 A CA -0.441 51.591 52.037 -0.008 0.000 0.849 146 A CB 0.603 19.594 19.000 -0.015 0.000 1.142 146 A HN 0.113 nan 8.150 nan 0.000 0.499 147 D N -0.320 120.082 120.400 0.003 0.000 2.326 147 D HA 0.527 5.166 4.640 -0.002 0.000 0.251 147 D C -0.726 175.574 176.300 0.000 0.000 1.023 147 D CA -0.017 53.989 54.000 0.010 0.000 0.966 147 D CB 1.304 42.118 40.800 0.022 0.000 1.156 147 D HN 0.353 nan 8.370 nan 0.000 0.494 148 L N 1.374 122.600 121.223 0.006 0.000 2.265 148 L HA 0.398 4.737 4.340 -0.002 0.000 0.289 148 L C 1.122 178.000 176.870 0.014 0.000 1.033 148 L CA -0.506 54.327 54.840 -0.012 0.000 0.814 148 L CB 1.565 43.617 42.059 -0.012 0.000 1.203 148 L HN 0.474 nan 8.230 nan 0.000 0.423 149 A N 3.071 125.902 122.820 0.019 0.000 1.935 149 A HA 0.535 4.854 4.320 -0.002 0.000 0.214 149 A C 0.986 178.582 177.584 0.018 0.000 1.178 149 A CA 1.034 53.097 52.037 0.043 0.000 0.640 149 A CB -0.038 19.019 19.000 0.096 0.000 0.825 149 A HN 0.845 nan 8.150 nan 0.000 0.447 150 G N -3.025 105.765 108.800 -0.017 0.000 2.341 150 G HA2 0.422 4.380 3.960 -0.002 0.000 0.293 150 G HA3 0.422 4.380 3.960 -0.002 0.000 0.293 150 G C -1.714 173.155 174.900 -0.052 0.000 1.298 150 G CA -0.051 45.035 45.100 -0.024 0.000 0.868 150 G HN 0.656 nan 8.290 nan 0.000 0.540 151 V N 0.299 120.190 119.914 -0.038 0.000 2.638 151 V HA 0.698 4.816 4.120 -0.002 0.000 0.306 151 V C -0.814 175.273 176.094 -0.013 0.000 1.052 151 V CA -0.733 61.547 62.300 -0.032 0.000 0.885 151 V CB 1.585 33.389 31.823 -0.031 0.000 0.999 151 V HN 1.008 nan 8.190 nan 0.000 0.424 152 L N 7.373 128.601 121.223 0.009 0.000 2.305 152 L HA 0.840 5.178 4.340 -0.002 0.000 0.284 152 L C -0.238 176.692 176.870 0.100 0.000 1.013 152 L CA -0.032 54.825 54.840 0.028 0.000 0.819 152 L CB 1.557 43.641 42.059 0.041 0.000 1.227 152 L HN 0.586 nan 8.230 nan 0.000 0.417 153 V N 2.446 122.368 119.914 0.015 0.000 3.096 153 V HA 0.860 4.979 4.120 -0.002 0.000 0.319 153 V C 1.009 176.977 176.094 -0.210 0.000 1.103 153 V CA -0.031 62.284 62.300 0.026 0.000 1.016 153 V CB 0.856 32.690 31.823 0.018 0.000 1.090 153 V HN 0.840 nan 8.190 nan 0.000 0.449 154 A N 1.423 124.071 122.820 -0.285 0.000 1.897 154 A HA 0.364 4.683 4.320 -0.002 0.000 0.215 154 A C 0.836 178.075 177.584 -0.576 0.000 1.181 154 A CA 1.959 53.584 52.037 -0.687 0.000 0.620 154 A CB -0.322 18.135 19.000 -0.904 0.000 0.821 154 A HN 1.032 nan 8.150 nan 0.000 0.443 155 I N -0.952 119.351 120.570 -0.444 0.000 2.841 155 I HA 0.446 4.615 4.170 -0.002 0.000 0.298 155 I C -2.271 173.616 176.117 -0.383 0.000 1.304 155 I CA -0.723 60.320 61.300 -0.430 0.000 1.019 155 I CB 2.153 39.826 38.000 -0.546 0.000 1.282 155 I HN 0.462 nan 8.210 nan 0.000 0.432 156 D N 4.871 125.078 120.400 -0.321 0.000 2.970 156 D HA 0.443 5.081 4.640 -0.002 0.000 0.344 156 D C -1.193 175.069 176.300 -0.064 0.000 1.365 156 D CA -0.662 53.252 54.000 -0.143 0.000 0.910 156 D CB 0.964 41.762 40.800 -0.002 0.000 1.445 156 D HN 0.494 nan 8.370 nan 0.000 0.532 168 I N 1.411 122.026 120.570 0.074 0.000 2.252 168 I HA -0.202 3.966 4.170 -0.002 0.000 0.245 168 I C 2.508 178.665 176.117 0.067 0.000 1.102 168 I CA 1.963 63.304 61.300 0.068 0.000 1.385 168 I CB -0.324 37.712 38.000 0.060 0.000 1.064 168 I HN 0.646 nan 8.210 nan 0.000 0.414 169 Q N 1.030 120.865 119.800 0.059 0.000 2.096 169 Q HA -0.308 4.031 4.340 -0.002 0.000 0.208 169 Q C 2.111 178.145 176.000 0.057 0.000 0.993 169 Q CA 2.249 58.082 55.803 0.052 0.000 0.862 169 Q CB -0.059 28.705 28.738 0.044 0.000 0.915 169 Q HN 0.581 nan 8.270 nan 0.000 0.416 170 E N -0.614 119.625 120.200 0.065 0.000 2.017 170 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 170 E C 2.134 178.803 176.600 0.115 0.000 0.997 170 E CA 1.606 58.048 56.400 0.071 0.000 0.804 170 E CB -0.097 29.648 29.700 0.076 0.000 0.757 170 E HN 0.204 nan 8.360 nan 0.000 0.448 171 V N 1.627 121.639 119.914 0.164 0.000 2.324 171 V HA -0.296 3.822 4.120 -0.002 0.000 0.250 171 V C 2.077 178.320 176.094 0.248 0.000 1.060 171 V CA 2.048 64.517 62.300 0.282 0.000 1.042 171 V CB -0.511 31.405 31.823 0.155 0.000 0.650 171 V HN 0.265 nan 8.190 nan 0.000 0.450 172 E N -0.699 119.581 120.200 0.134 0.000 2.150 172 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 172 E C 2.507 179.151 176.600 0.073 0.000 0.985 172 E CA 0.758 57.217 56.400 0.097 0.000 0.814 172 E CB -0.072 29.666 29.700 0.064 0.000 0.752 172 E HN 0.538 nan 8.360 nan 0.000 0.466 173 R N 0.833 121.364 120.500 0.052 0.000 2.057 173 R HA -0.106 4.233 4.340 -0.002 0.000 0.229 173 R C 1.660 177.942 176.300 -0.031 0.000 1.136 173 R CA 1.688 57.795 56.100 0.012 0.000 0.952 173 R CB -0.113 30.188 30.300 0.002 0.000 0.848 173 R HN 0.213 nan 8.270 nan 0.000 0.430 174 D N -1.143 119.207 120.400 -0.083 0.000 2.349 174 D HA -0.053 4.586 4.640 -0.002 0.000 0.215 174 D C 0.778 176.786 176.300 -0.487 0.000 1.016 174 D CA 0.505 54.335 54.000 -0.283 0.000 0.870 174 D CB -0.017 40.549 40.800 -0.390 0.000 0.917 174 D HN 0.172 nan 8.370 nan 0.000 0.524 175 F N 0.039 119.985 119.950 -0.007 0.000 2.706 175 F HA 0.382 4.907 4.527 -0.003 0.000 0.308 175 F C 1.929 177.722 175.800 -0.011 0.000 1.095 175 F CA -0.027 57.965 58.000 -0.013 0.000 1.244 175 F CB 0.699 39.688 39.000 -0.019 0.000 1.063 175 F HN 0.100 nan 8.300 nan 0.000 0.582 176 G N 1.167 110.034 108.800 0.113 0.000 2.179 176 G HA2 -0.319 3.639 3.960 -0.002 0.000 0.257 176 G HA3 -0.319 3.639 3.960 -0.002 0.000 0.257 176 G C 0.209 175.154 174.900 0.075 0.000 1.010 176 G CA 0.315 45.457 45.100 0.070 0.000 0.736 176 G HN 0.590 nan 8.290 nan 0.000 0.513 177 C N -1.872 117.485 119.300 0.094 0.000 2.913 177 C HA 0.994 5.453 4.460 -0.002 0.000 0.322 177 C C 0.778 175.799 174.990 0.051 0.000 1.292 177 C CA -0.594 58.461 59.018 0.062 0.000 1.649 177 C CB 1.565 29.335 27.740 0.050 0.000 2.139 177 C HN 1.762 nan 8.230 nan 0.000 0.475 178 A N 0.863 123.703 122.820 0.034 0.000 2.340 178 A HA 0.655 4.974 4.320 -0.002 0.000 0.268 178 A C -0.385 177.209 177.584 0.017 0.000 1.100 178 A CA -0.340 51.713 52.037 0.027 0.000 0.803 178 A CB 0.228 19.241 19.000 0.022 0.000 1.043 178 A HN 1.310 nan 8.150 nan 0.000 0.488 179 V N 3.894 123.818 119.914 0.017 0.000 2.357 179 V HA 0.421 4.539 4.120 -0.002 0.000 0.284 179 V C 0.087 176.180 176.094 -0.001 0.000 1.018 179 V CA -0.175 62.130 62.300 0.009 0.000 0.841 179 V CB 0.686 32.522 31.823 0.021 0.000 0.991 179 V HN 0.769 nan 8.190 nan 0.000 0.437 180 I N 2.727 123.288 120.570 -0.015 0.000 2.910 180 I HA 1.004 5.173 4.170 -0.002 0.000 0.310 180 I C -0.056 176.024 176.117 -0.061 0.000 1.043 180 I CA -0.512 60.770 61.300 -0.031 0.000 1.053 180 I CB 2.513 40.497 38.000 -0.026 0.000 1.242 180 I HN 0.606 nan 8.210 nan 0.000 0.452 181 S N 2.373 118.017 115.700 -0.093 0.000 2.588 181 S HA 0.549 5.017 4.470 -0.002 0.000 0.275 181 S C 0.505 174.979 174.600 -0.210 0.000 1.130 181 S CA -0.897 57.200 58.200 -0.171 0.000 0.855 181 S CB 1.812 64.905 63.200 -0.180 0.000 1.116 181 S HN 0.727 nan 8.310 nan 0.000 0.472 182 I N 0.672 121.020 120.570 -0.369 0.000 2.142 182 I HA -0.050 4.119 4.170 -0.002 0.000 0.240 182 I C 1.032 177.013 176.117 -0.227 0.000 1.078 182 I CA 1.468 62.548 61.300 -0.366 0.000 1.343 182 I CB -0.334 37.157 38.000 -0.848 0.000 1.046 182 I HN 0.680 nan 8.210 nan 0.000 0.405 183 V N -2.716 117.034 119.914 -0.274 0.000 3.158 183 V HA 0.703 4.821 4.120 -0.002 0.000 0.311 183 V C -0.319 175.665 176.094 -0.182 0.000 1.181 183 V CA -0.657 61.532 62.300 -0.186 0.000 1.054 183 V CB 1.684 33.432 31.823 -0.124 0.000 1.085 183 V HN 0.209 nan 8.190 nan 0.000 0.446 184 S N 0.495 116.108 115.700 -0.144 0.000 2.689 184 S HA 0.599 5.068 4.470 -0.002 0.000 0.306 184 S C 0.575 175.098 174.600 -0.128 0.000 1.104 184 S CA -0.115 58.008 58.200 -0.129 0.000 0.973 184 S CB 1.610 64.762 63.200 -0.080 0.000 1.121 184 S HN 1.339 nan 8.310 nan 0.000 0.523 185 L N 1.607 122.771 121.223 -0.097 0.000 2.046 185 L HA 0.010 4.348 4.340 -0.002 0.000 0.208 185 L C 2.418 179.260 176.870 -0.046 0.000 1.077 185 L CA 2.434 57.251 54.840 -0.038 0.000 0.747 185 L CB -1.693 40.423 42.059 0.094 0.000 0.896 185 L HN 0.971 nan 8.230 nan 0.000 0.432 186 T N -0.254 114.280 114.554 -0.035 0.000 2.665 186 T HA -0.205 4.143 4.350 -0.002 0.000 0.268 186 T C 1.491 176.153 174.700 -0.064 0.000 1.035 186 T CA 1.704 63.778 62.100 -0.043 0.000 1.151 186 T CB -0.467 68.385 68.868 -0.027 0.000 0.862 186 T HN 0.427 nan 8.240 nan 0.000 0.438 187 D N 0.838 121.198 120.400 -0.066 0.000 2.149 187 D HA -0.053 4.585 4.640 -0.002 0.000 0.198 187 D C 2.045 178.317 176.300 -0.047 0.000 0.990 187 D CA 0.570 54.535 54.000 -0.058 0.000 0.839 187 D CB -0.432 40.320 40.800 -0.081 0.000 0.948 187 D HN 0.205 nan 8.370 nan 0.000 0.460 188 L N 0.874 122.043 121.223 -0.091 0.000 2.027 188 L HA -0.061 4.278 4.340 -0.002 0.000 0.206 188 L C 2.111 178.889 176.870 -0.153 0.000 1.074 188 L CA 1.339 56.115 54.840 -0.107 0.000 0.745 188 L CB -0.503 41.485 42.059 -0.119 0.000 0.898 188 L HN -0.031 nan 8.230 nan 0.000 0.433 189 I N -1.198 119.214 120.570 -0.263 0.000 2.353 189 I HA -0.240 3.928 4.170 -0.002 0.000 0.248 189 I C 2.144 178.163 176.117 -0.162 0.000 1.119 189 I CA 1.386 62.465 61.300 -0.367 0.000 1.417 189 I CB -0.726 37.047 38.000 -0.379 0.000 1.078 189 I HN 0.253 nan 8.210 nan 0.000 0.421 190 T N 0.208 114.710 114.554 -0.087 0.000 2.746 190 T HA -0.255 4.093 4.350 -0.002 0.000 0.267 190 T C 1.796 176.478 174.700 -0.030 0.000 1.039 190 T CA 1.538 63.608 62.100 -0.049 0.000 1.142 190 T CB -0.500 68.350 68.868 -0.031 0.000 0.866 190 T HN 0.355 nan 8.240 nan 0.000 0.444 191 Y N 1.821 122.059 120.300 -0.103 0.000 2.128 191 Y HA -0.108 4.440 4.550 -0.003 0.000 0.284 191 Y C 1.899 177.755 175.900 -0.072 0.000 1.154 191 Y CA 1.296 59.347 58.100 -0.082 0.000 1.149 191 Y CB -0.482 37.928 38.460 -0.084 0.000 0.976 191 Y HN 0.123 nan 8.280 nan 0.000 0.505 192 L N 0.157 121.397 121.223 0.028 0.000 2.551 192 L HA -0.101 4.238 4.340 -0.002 0.000 0.228 192 L C 2.164 178.982 176.870 -0.087 0.000 1.153 192 L CA 0.634 55.458 54.840 -0.027 0.000 0.851 192 L CB -0.354 41.710 42.059 0.008 0.000 0.959 192 L HN 0.239 nan 8.230 nan 0.000 0.451 193 E N 0.002 120.140 120.200 -0.104 0.000 2.140 193 E HA 0.006 4.355 4.350 -0.002 0.000 0.191 193 E C 0.885 177.419 176.600 -0.111 0.000 0.973 193 E CA 0.395 56.743 56.400 -0.085 0.000 0.829 193 E CB 0.241 29.902 29.700 -0.066 0.000 0.781 193 E HN 0.549 nan 8.360 nan 0.000 0.466 194 Q N 0.000 119.700 119.800 -0.167 0.000 2.315 194 Q HA 0.000 4.338 4.340 -0.002 0.000 0.214 194 Q CA 0.000 55.698 55.803 -0.174 0.000 1.022 194 Q CB 0.000 28.623 28.738 -0.192 0.000 1.108 194 Q HN 0.000 nan 8.270 nan 0.000 0.481