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 1ssm_1_C DATA FIRST_RESID 2 DATA SEQUENCE TLDVWQHIRQ EAKELAENEP XLASFFHSTI LKHQNLGGAL SYLLANKLAN DATA SEQUENCE PIXPAISLRE IIEEAYQSNP SIIDCAACDI QAVRHRDPAV ELWSTPLLYL DATA SEQUENCE KGFHAIQSYR ITHYLWNQNR KSLALYLQNQ ISVAFDVDIH PAAKIGHGIX DATA SEQUENCE FDHATGIVVG ETSVIENDVS ILQGVTLGGT GKESGDRHPK VREGVXIGAG DATA SEQUENCE AKILGNIEVG KYAKIGANSV VLNPVPEYAT AAGVPARIV 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.713 174.700 0.022 0.000 1.109 2 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 2 T CB 0.000 68.827 68.868 -0.068 0.000 0.612 3 L N 1.651 122.888 121.223 0.023 0.000 2.201 3 L HA -0.005 4.335 4.340 -0.000 0.000 0.212 3 L C 2.035 178.957 176.870 0.086 0.000 1.105 3 L CA 1.309 56.204 54.840 0.092 0.000 0.775 3 L CB -0.666 41.425 42.059 0.053 0.000 0.913 3 L HN 0.224 nan 8.230 nan 0.000 0.440 4 D N 0.280 120.681 120.400 0.002 0.000 2.077 4 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 4 D C 2.403 178.640 176.300 -0.106 0.000 0.986 4 D CA 1.097 55.068 54.000 -0.049 0.000 0.829 4 D CB -0.238 40.488 40.800 -0.124 0.000 0.983 4 D HN 0.021 nan 8.370 nan 0.000 0.453 5 V N 1.017 120.822 119.914 -0.181 0.000 2.282 5 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 5 V C 2.243 178.341 176.094 0.006 0.000 1.057 5 V CA 1.716 63.873 62.300 -0.237 0.000 1.032 5 V CB -0.734 31.039 31.823 -0.084 0.000 0.645 5 V HN 0.428 nan 8.190 nan 0.000 0.447 6 W N 0.491 121.731 121.300 -0.100 0.000 2.321 6 W HA -0.265 4.395 4.660 -0.000 0.000 0.306 6 W C 2.541 179.033 176.519 -0.046 0.000 1.217 6 W CA 1.778 59.091 57.345 -0.055 0.000 1.257 6 W CB -0.057 29.375 29.460 -0.048 0.000 1.145 6 W HN 0.302 nan 8.180 nan 0.000 0.509 7 Q N -0.147 119.585 119.800 -0.113 0.000 2.020 7 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 7 Q C 1.816 177.659 176.000 -0.261 0.000 0.982 7 Q CA 1.960 57.620 55.803 -0.239 0.000 0.838 7 Q CB -1.229 27.441 28.738 -0.113 0.000 0.899 7 Q HN 0.522 nan 8.270 nan 0.000 0.423 8 H N 0.259 119.125 119.070 -0.339 0.000 2.387 8 H HA -0.007 4.549 4.556 0.000 0.000 0.299 8 H C 2.081 177.285 175.328 -0.207 0.000 1.090 8 H CA 1.226 57.084 56.048 -0.317 0.000 1.332 8 H CB -0.175 29.200 29.762 -0.645 0.000 1.386 8 H HN 0.166 nan 8.280 nan 0.000 0.516 9 I N 0.060 120.574 120.570 -0.094 0.000 2.202 9 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 9 I C 2.363 178.293 176.117 -0.312 0.000 1.091 9 I CA 1.155 62.386 61.300 -0.114 0.000 1.368 9 I CB -0.249 37.723 38.000 -0.047 0.000 1.058 9 I HN 0.204 nan 8.210 nan 0.000 0.410 10 R N 0.288 120.440 120.500 -0.580 0.000 2.083 10 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 10 R C 2.403 178.500 176.300 -0.339 0.000 1.137 10 R CA 1.271 57.034 56.100 -0.562 0.000 0.951 10 R CB -0.375 29.520 30.300 -0.674 0.000 0.851 10 R HN 0.380 nan 8.270 nan 0.000 0.434 11 Q N 0.869 120.496 119.800 -0.289 0.000 2.096 11 Q HA -0.198 4.141 4.340 -0.000 0.000 0.204 11 Q C 1.868 177.762 176.000 -0.177 0.000 0.982 11 Q CA 1.710 57.385 55.803 -0.214 0.000 0.850 11 Q CB -0.082 28.529 28.738 -0.212 0.000 0.901 11 Q HN 0.462 nan 8.270 nan 0.000 0.422 12 E N -0.066 120.048 120.200 -0.143 0.000 2.077 12 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 12 E C 1.914 178.368 176.600 -0.243 0.000 0.989 12 E CA 0.916 57.241 56.400 -0.125 0.000 0.800 12 E CB -0.124 29.555 29.700 -0.036 0.000 0.746 12 E HN 0.354 nan 8.360 nan 0.000 0.452 13 A N 1.836 124.490 122.820 -0.277 0.000 1.873 13 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 13 A C 1.976 179.321 177.584 -0.398 0.000 1.193 13 A CA 1.919 53.726 52.037 -0.384 0.000 0.629 13 A CB -0.478 18.360 19.000 -0.271 0.000 0.826 13 A HN 0.072 nan 8.150 nan 0.000 0.447 14 K N -0.539 119.692 120.400 -0.281 0.000 2.113 14 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 14 K C 1.991 178.479 176.600 -0.187 0.000 1.047 14 K CA 1.789 57.946 56.287 -0.215 0.000 0.928 14 K CB -0.184 32.222 32.500 -0.156 0.000 0.716 14 K HN 0.669 nan 8.250 nan 0.000 0.446 15 E N 0.183 120.266 120.200 -0.195 0.000 2.112 15 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 15 E C 1.869 178.355 176.600 -0.190 0.000 0.979 15 E CA 0.365 56.674 56.400 -0.151 0.000 0.814 15 E CB 0.103 29.733 29.700 -0.115 0.000 0.762 15 E HN 0.058 nan 8.360 nan 0.000 0.460 16 L N 1.067 122.079 121.223 -0.352 0.000 2.017 16 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 16 L C 2.369 179.004 176.870 -0.392 0.000 1.073 16 L CA 1.873 56.410 54.840 -0.505 0.000 0.745 16 L CB -1.260 40.142 42.059 -1.096 0.000 0.894 16 L HN 0.052 nan 8.230 nan 0.000 0.432 17 A N -0.925 121.640 122.820 -0.425 0.000 1.902 17 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 17 A C 2.285 179.914 177.584 0.075 0.000 1.181 17 A CA 1.719 53.780 52.037 0.041 0.000 0.623 17 A CB -0.510 18.494 19.000 0.007 0.000 0.818 17 A HN 0.429 nan 8.150 nan 0.000 0.443 18 E N 0.598 120.791 120.200 -0.012 0.000 2.110 18 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 18 E C 1.501 178.120 176.600 0.032 0.000 0.988 18 E CA 1.879 58.289 56.400 0.017 0.000 0.804 18 E CB -0.360 29.330 29.700 -0.016 0.000 0.745 18 E HN 0.658 nan 8.360 nan 0.000 0.458 19 N N -0.370 118.341 118.700 0.018 0.000 2.446 19 N HA 0.003 4.743 4.740 -0.000 0.000 0.179 19 N C -0.344 175.212 175.510 0.078 0.000 1.054 19 N CA 0.691 53.763 53.050 0.037 0.000 0.905 19 N CB 0.362 38.858 38.487 0.015 0.000 0.973 19 N HN 0.001 nan 8.380 nan 0.000 0.448 20 E N 0.354 120.633 120.200 0.133 0.000 2.675 20 E HA 0.306 4.656 4.350 -0.000 0.000 0.236 20 E C -2.641 174.067 176.600 0.180 0.000 1.059 20 E CA -2.591 53.907 56.400 0.163 0.000 0.775 20 E CB 0.583 30.418 29.700 0.224 0.000 1.356 20 E HN -0.067 nan 8.360 nan 0.000 0.403 24 A N -0.063 122.945 122.820 0.312 0.000 1.948 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 24 A C 2.312 180.144 177.584 0.413 0.000 1.177 24 A CA 2.567 54.862 52.037 0.431 0.000 0.636 24 A CB -0.630 18.573 19.000 0.338 0.000 0.815 24 A HN 0.654 nan 8.150 nan 0.000 0.449 25 S N -1.170 114.699 115.700 0.282 0.000 2.368 25 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 25 S C 1.855 176.601 174.600 0.243 0.000 1.030 25 S CA 1.421 59.770 58.200 0.247 0.000 0.999 25 S CB -0.794 62.506 63.200 0.166 0.000 0.844 25 S HN 0.612 nan 8.310 nan 0.000 0.459 26 F N 1.772 121.736 119.950 0.023 0.000 2.126 26 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 26 F C 1.769 177.546 175.800 -0.039 0.000 1.096 26 F CA 1.298 59.267 58.000 -0.052 0.000 1.255 26 F CB -0.539 38.328 39.000 -0.223 0.000 0.997 26 F HN 0.214 nan 8.300 nan 0.000 0.479 27 F N -0.690 119.366 119.950 0.176 0.000 2.186 27 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 27 F C 2.696 178.397 175.800 -0.164 0.000 1.090 27 F CA 1.278 59.256 58.000 -0.038 0.000 1.307 27 F CB -0.582 38.419 39.000 0.001 0.000 1.019 27 F HN 0.060 nan 8.300 nan 0.000 0.489 28 H N -0.976 118.172 119.070 0.131 0.000 2.363 28 H HA -0.056 4.500 4.556 -0.000 0.000 0.301 28 H C 2.385 177.646 175.328 -0.112 0.000 1.074 28 H CA 1.571 57.630 56.048 0.017 0.000 1.354 28 H CB -0.213 29.565 29.762 0.027 0.000 1.397 28 H HN 0.152 nan 8.280 nan 0.000 0.516 29 S N -0.183 115.498 115.700 -0.032 0.000 2.387 29 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 29 S C 2.326 176.628 174.600 -0.498 0.000 1.026 29 S CA 1.528 59.571 58.200 -0.262 0.000 0.972 29 S CB -0.097 63.062 63.200 -0.068 0.000 0.814 29 S HN 0.678 nan 8.310 nan 0.000 0.477 30 T N -0.897 113.456 114.554 -0.335 0.000 3.035 30 T HA 0.306 4.656 4.350 -0.000 0.000 0.259 30 T C 1.499 176.230 174.700 0.051 0.000 1.078 30 T CA 0.386 62.342 62.100 -0.239 0.000 1.132 30 T CB -0.102 68.496 68.868 -0.450 0.000 0.900 30 T HN 0.312 nan 8.240 nan 0.000 0.480 31 I N -0.593 120.031 120.570 0.089 0.000 3.623 31 I HA 0.287 4.457 4.170 -0.000 0.000 0.253 31 I C 2.070 178.301 176.117 0.191 0.000 1.144 31 I CA -0.147 61.281 61.300 0.212 0.000 1.461 31 I CB 0.157 38.185 38.000 0.047 0.000 1.575 31 I HN 0.011 nan 8.210 nan 0.000 0.445 32 L N 1.926 123.146 121.223 -0.005 0.000 2.129 32 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 32 L C 2.325 179.203 176.870 0.013 0.000 1.087 32 L CA 1.729 56.545 54.840 -0.039 0.000 0.757 32 L CB -0.632 41.337 42.059 -0.149 0.000 0.896 32 L HN 0.372 nan 8.230 nan 0.000 0.434 33 K N -1.290 119.058 120.400 -0.087 0.000 2.487 33 K HA 0.010 4.330 4.320 -0.000 0.000 0.192 33 K C 0.295 176.741 176.600 -0.258 0.000 1.027 33 K CA 0.170 56.344 56.287 -0.189 0.000 1.054 33 K CB 0.041 32.354 32.500 -0.311 0.000 0.824 33 K HN 0.292 nan 8.250 nan 0.000 0.510 34 H N 1.315 120.455 119.070 0.116 0.000 2.483 34 H HA 0.159 4.715 4.556 0.000 0.000 0.338 34 H C 0.211 175.711 175.328 0.286 0.000 1.152 34 H CA -0.385 55.755 56.048 0.153 0.000 1.264 34 H CB 1.740 31.585 29.762 0.138 0.000 1.510 34 H HN 0.178 nan 8.280 nan 0.000 0.530 35 Q N 0.791 120.763 119.800 0.287 0.000 2.356 35 Q HA 0.058 4.398 4.340 -0.000 0.000 0.205 35 Q C -0.253 175.842 176.000 0.160 0.000 0.901 35 Q CA 0.223 56.179 55.803 0.255 0.000 0.938 35 Q CB 0.413 29.224 28.738 0.120 0.000 1.081 35 Q HN 0.651 nan 8.270 nan 0.000 0.517 36 N N -2.295 116.239 118.700 -0.277 0.000 3.277 36 N HA 0.095 4.835 4.740 -0.000 0.000 0.278 36 N C -0.219 174.169 175.510 -1.869 0.000 1.544 36 N CA -0.652 51.705 53.050 -1.155 0.000 0.869 36 N CB 0.191 38.355 38.487 -0.539 0.000 1.584 36 N HN -0.140 nan 8.380 nan 0.000 0.564 37 L N -0.032 120.218 121.223 -1.621 0.000 2.109 37 L HA 0.376 4.716 4.340 -0.000 0.000 0.207 37 L C 1.985 178.532 176.870 -0.538 0.000 1.086 37 L CA 2.286 56.500 54.840 -1.044 0.000 0.760 37 L CB -1.070 40.687 42.059 -0.502 0.000 0.910 37 L HN 0.902 nan 8.230 nan 0.000 0.437 38 G N -1.080 107.448 108.800 -0.452 0.000 2.422 38 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 38 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 38 G C 1.511 176.383 174.900 -0.045 0.000 1.146 38 G CA 0.571 45.515 45.100 -0.261 0.000 0.769 38 G HN 0.571 nan 8.290 nan 0.000 0.547 39 G N 1.190 109.880 108.800 -0.184 0.000 2.433 39 G HA2 0.015 3.975 3.960 -0.000 0.000 0.216 39 G HA3 0.015 3.975 3.960 -0.000 0.000 0.216 39 G C 2.069 176.698 174.900 -0.452 0.000 1.186 39 G CA 1.619 46.624 45.100 -0.159 0.000 0.779 39 G HN 0.626 nan 8.290 nan 0.000 0.543 40 A N 0.200 122.682 122.820 -0.563 0.000 1.902 40 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 40 A C 2.359 179.854 177.584 -0.148 0.000 1.181 40 A CA 1.660 53.369 52.037 -0.546 0.000 0.623 40 A CB -0.451 18.495 19.000 -0.089 0.000 0.818 40 A HN 0.409 nan 8.150 nan 0.000 0.443 41 L N 0.809 122.012 121.223 -0.034 0.000 2.141 41 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 41 L C 2.752 179.721 176.870 0.165 0.000 1.094 41 L CA 2.559 57.478 54.840 0.130 0.000 0.763 41 L CB -0.557 41.596 42.059 0.155 0.000 0.908 41 L HN 0.523 nan 8.230 nan 0.000 0.437 42 S N -1.949 113.845 115.700 0.156 0.000 2.387 42 S HA -0.251 4.219 4.470 -0.000 0.000 0.226 42 S C 2.134 176.765 174.600 0.052 0.000 1.026 42 S CA 1.043 59.276 58.200 0.055 0.000 0.972 42 S CB -1.124 62.066 63.200 -0.017 0.000 0.814 42 S HN 0.555 nan 8.310 nan 0.000 0.477 43 Y N 2.102 122.356 120.300 -0.077 0.000 2.163 43 Y HA 0.092 4.642 4.550 0.000 0.000 0.288 43 Y C 2.057 177.951 175.900 -0.011 0.000 1.136 43 Y CA 1.305 59.386 58.100 -0.031 0.000 1.147 43 Y CB -0.510 37.931 38.460 -0.031 0.000 0.987 43 Y HN 0.204 nan 8.280 nan 0.000 0.509 44 L N -0.460 120.904 121.223 0.234 0.000 2.012 44 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 44 L C 2.431 179.306 176.870 0.008 0.000 1.073 44 L CA 1.516 56.427 54.840 0.118 0.000 0.748 44 L CB -0.566 41.555 42.059 0.102 0.000 0.891 44 L HN 0.306 nan 8.230 nan 0.000 0.431 45 L N -1.140 120.104 121.223 0.036 0.000 2.072 45 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 45 L C 2.837 179.718 176.870 0.018 0.000 1.079 45 L CA 1.022 55.898 54.840 0.059 0.000 0.752 45 L CB -0.818 41.292 42.059 0.085 0.000 0.906 45 L HN 0.227 nan 8.230 nan 0.000 0.436 46 A N 0.240 123.039 122.820 -0.035 0.000 1.908 46 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 46 A C 2.125 179.653 177.584 -0.092 0.000 1.181 46 A CA 1.886 53.884 52.037 -0.065 0.000 0.627 46 A CB -0.632 18.312 19.000 -0.092 0.000 0.818 46 A HN 0.438 nan 8.150 nan 0.000 0.445 47 N N -0.064 118.541 118.700 -0.158 0.000 2.084 47 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 47 N C 1.587 177.062 175.510 -0.059 0.000 1.030 47 N CA 1.494 54.448 53.050 -0.161 0.000 0.849 47 N CB -0.222 38.107 38.487 -0.263 0.000 1.012 47 N HN 0.532 nan 8.380 nan 0.000 0.423 48 K N 0.597 120.992 120.400 -0.009 0.000 2.217 48 K HA 0.036 4.356 4.320 -0.000 0.000 0.202 48 K C 1.754 178.309 176.600 -0.074 0.000 1.051 48 K CA 0.457 56.761 56.287 0.029 0.000 0.952 48 K CB 0.087 32.699 32.500 0.188 0.000 0.736 48 K HN 0.199 nan 8.250 nan 0.000 0.453 49 L N 1.024 122.208 121.223 -0.064 0.000 2.592 49 L HA 0.134 4.474 4.340 -0.000 0.000 0.227 49 L C 0.864 177.704 176.870 -0.049 0.000 1.127 49 L CA -0.478 54.297 54.840 -0.109 0.000 0.884 49 L CB 0.035 42.069 42.059 -0.042 0.000 1.065 49 L HN -0.005 nan 8.230 nan 0.000 0.457 50 A N 1.469 124.267 122.820 -0.037 0.000 2.507 50 A HA 0.302 4.622 4.320 -0.000 0.000 0.235 50 A C 0.006 177.584 177.584 -0.010 0.000 1.070 50 A CA 0.202 52.229 52.037 -0.017 0.000 0.768 50 A CB -0.022 18.957 19.000 -0.034 0.000 1.011 50 A HN 0.560 nan 8.150 nan 0.000 0.502 51 N N -0.214 118.493 118.700 0.011 0.000 2.823 51 N HA 0.468 5.208 4.740 -0.000 0.000 0.251 51 N C -2.794 172.726 175.510 0.016 0.000 1.392 51 N CA -1.400 51.658 53.050 0.014 0.000 0.864 51 N CB 0.612 39.116 38.487 0.029 0.000 1.481 51 N HN 0.067 nan 8.380 nan 0.000 0.508 52 P HA -0.065 nan 4.420 nan 0.000 0.217 52 P C 0.025 177.330 177.300 0.009 0.000 1.151 52 P CA 1.296 64.401 63.100 0.008 0.000 0.849 52 P CB 0.104 31.809 31.700 0.008 0.000 0.787 56 A N 0.044 122.837 122.820 -0.045 0.000 1.892 56 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 56 A C 1.883 179.432 177.584 -0.060 0.000 1.188 56 A CA 2.211 54.206 52.037 -0.070 0.000 0.631 56 A CB -1.030 17.900 19.000 -0.116 0.000 0.822 56 A HN 0.652 nan 8.150 nan 0.000 0.447 57 I N -0.140 120.403 120.570 -0.045 0.000 2.264 57 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 57 I C 2.217 178.313 176.117 -0.035 0.000 1.111 57 I CA 1.981 63.262 61.300 -0.031 0.000 1.382 57 I CB -0.020 37.969 38.000 -0.018 0.000 1.060 57 I HN 0.320 nan 8.210 nan 0.000 0.418 58 S N 0.874 116.549 115.700 -0.041 0.000 2.395 58 S HA -0.019 4.450 4.470 -0.000 0.000 0.225 58 S C 1.825 176.391 174.600 -0.056 0.000 1.027 58 S CA 0.929 59.098 58.200 -0.052 0.000 0.965 58 S CB -0.243 62.917 63.200 -0.066 0.000 0.812 58 S HN 0.426 nan 8.310 nan 0.000 0.482 59 L N 0.896 122.089 121.223 -0.049 0.000 2.156 59 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 59 L C 2.701 179.536 176.870 -0.058 0.000 1.095 59 L CA 0.812 55.627 54.840 -0.042 0.000 0.770 59 L CB -0.385 41.665 42.059 -0.015 0.000 0.914 59 L HN 0.198 nan 8.230 nan 0.000 0.439 60 R N 0.530 120.994 120.500 -0.060 0.000 2.189 60 R HA -0.158 4.182 4.340 -0.000 0.000 0.218 60 R C 2.055 178.309 176.300 -0.077 0.000 1.074 60 R CA 0.958 57.016 56.100 -0.070 0.000 0.991 60 R CB 0.087 30.363 30.300 -0.039 0.000 0.883 60 R HN 0.399 nan 8.270 nan 0.000 0.457 61 E N 0.257 120.422 120.200 -0.058 0.000 2.208 61 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 61 E C 1.729 178.289 176.600 -0.067 0.000 0.988 61 E CA 0.605 56.974 56.400 -0.052 0.000 0.828 61 E CB 0.130 29.809 29.700 -0.036 0.000 0.763 61 E HN 0.358 nan 8.360 nan 0.000 0.478 62 I N 0.540 121.065 120.570 -0.074 0.000 2.400 62 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 62 I C 2.218 178.263 176.117 -0.120 0.000 1.109 62 I CA 0.575 61.837 61.300 -0.064 0.000 1.425 62 I CB -0.062 37.913 38.000 -0.042 0.000 1.094 62 I HN 0.150 nan 8.210 nan 0.000 0.425 63 I N 0.772 121.225 120.570 -0.194 0.000 2.361 63 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 63 I C 2.192 177.953 176.117 -0.593 0.000 1.133 63 I CA 1.475 62.535 61.300 -0.398 0.000 1.413 63 I CB -0.320 37.427 38.000 -0.422 0.000 1.073 63 I HN 0.261 nan 8.210 nan 0.000 0.424 64 E N 0.243 120.236 120.200 -0.345 0.000 2.216 64 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 64 E C 2.045 178.569 176.600 -0.128 0.000 0.988 64 E CA 0.450 56.712 56.400 -0.230 0.000 0.834 64 E CB 0.042 29.683 29.700 -0.099 0.000 0.772 64 E HN 0.308 nan 8.360 nan 0.000 0.479 65 E N 0.993 121.130 120.200 -0.105 0.000 2.216 65 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 65 E C 1.789 178.335 176.600 -0.089 0.000 0.988 65 E CA 0.894 57.268 56.400 -0.044 0.000 0.834 65 E CB 0.124 29.827 29.700 0.005 0.000 0.772 65 E HN 0.195 nan 8.360 nan 0.000 0.479 66 A N 0.275 122.978 122.820 -0.195 0.000 1.872 66 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 66 A C 2.162 179.525 177.584 -0.367 0.000 1.187 66 A CA 1.007 52.714 52.037 -0.551 0.000 0.614 66 A CB -1.055 17.684 19.000 -0.435 0.000 0.826 66 A HN 0.420 nan 8.150 nan 0.000 0.442 67 Y N -0.324 119.810 120.300 -0.275 0.000 2.333 67 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 67 Y C 2.827 178.619 175.900 -0.180 0.000 1.144 67 Y CA 1.125 59.098 58.100 -0.212 0.000 1.228 67 Y CB 0.051 38.422 38.460 -0.148 0.000 0.985 67 Y HN 0.542 nan 8.280 nan 0.000 0.542 68 Q N 0.057 119.858 119.800 0.002 0.000 2.089 68 Q HA -0.118 4.222 4.340 -0.000 0.000 0.195 68 Q C 2.044 178.018 176.000 -0.044 0.000 0.963 68 Q CA 1.368 57.160 55.803 -0.018 0.000 0.834 68 Q CB -0.030 28.703 28.738 -0.008 0.000 0.906 68 Q HN 0.270 nan 8.270 nan 0.000 0.452 69 S N 1.371 117.025 115.700 -0.076 0.000 2.423 69 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 69 S C 0.815 175.386 174.600 -0.048 0.000 1.014 69 S CA 0.952 59.141 58.200 -0.019 0.000 0.965 69 S CB -0.018 63.255 63.200 0.121 0.000 0.785 69 S HN 0.338 nan 8.310 nan 0.000 0.495 70 N N 0.212 118.815 118.700 -0.162 0.000 2.726 70 N HA 0.280 5.020 4.740 -0.000 0.000 0.253 70 N C -2.772 172.672 175.510 -0.109 0.000 1.530 70 N CA -1.878 51.104 53.050 -0.112 0.000 0.772 70 N CB 0.906 39.299 38.487 -0.157 0.000 1.220 70 N HN -0.116 nan 8.380 nan 0.000 0.508 71 P HA -0.142 nan 4.420 nan 0.000 0.220 71 P C 1.266 178.482 177.300 -0.140 0.000 1.144 71 P CA 0.984 64.015 63.100 -0.116 0.000 0.800 71 P CB 0.295 31.940 31.700 -0.092 0.000 0.772 72 S N -1.348 114.294 115.700 -0.096 0.000 2.547 72 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 72 S C 1.683 176.224 174.600 -0.099 0.000 0.980 72 S CA 0.468 58.614 58.200 -0.089 0.000 0.941 72 S CB -1.235 61.938 63.200 -0.046 0.000 0.763 72 S HN 0.047 nan 8.310 nan 0.000 0.532 73 I N 0.693 121.192 120.570 -0.117 0.000 2.439 73 I HA -0.039 4.131 4.170 -0.000 0.000 0.251 73 I C 2.051 178.050 176.117 -0.197 0.000 1.139 73 I CA 0.919 62.156 61.300 -0.104 0.000 1.438 73 I CB -0.172 37.795 38.000 -0.055 0.000 1.085 73 I HN 0.344 nan 8.210 nan 0.000 0.427 74 I N 0.343 120.719 120.570 -0.323 0.000 2.353 74 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 74 I C 1.977 177.972 176.117 -0.204 0.000 1.119 74 I CA 1.097 62.171 61.300 -0.377 0.000 1.417 74 I CB -0.384 37.332 38.000 -0.472 0.000 1.078 74 I HN 0.209 nan 8.210 nan 0.000 0.421 75 D N 0.670 120.970 120.400 -0.165 0.000 2.097 75 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 75 D C 2.305 178.544 176.300 -0.101 0.000 0.989 75 D CA 1.386 55.310 54.000 -0.126 0.000 0.827 75 D CB -0.417 40.303 40.800 -0.132 0.000 0.966 75 D HN 0.362 nan 8.370 nan 0.000 0.456 76 C N 1.388 120.628 119.300 -0.101 0.000 2.403 76 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 76 C C 2.919 177.925 174.990 0.027 0.000 1.248 76 C CA 0.709 59.699 59.018 -0.046 0.000 1.762 76 C CB -1.089 26.651 27.740 -0.001 0.000 2.014 76 C HN 0.360 nan 8.230 nan 0.000 0.486 77 A N 0.733 123.561 122.820 0.014 0.000 1.877 77 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 77 A C 2.410 180.125 177.584 0.219 0.000 1.186 77 A CA 2.228 54.343 52.037 0.129 0.000 0.620 77 A CB -1.029 18.022 19.000 0.086 0.000 0.822 77 A HN 0.581 nan 8.150 nan 0.000 0.443 78 A N -0.878 122.003 122.820 0.101 0.000 1.883 78 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 78 A C 2.344 179.998 177.584 0.116 0.000 1.186 78 A CA 1.809 53.904 52.037 0.097 0.000 0.624 78 A CB -1.424 17.591 19.000 0.025 0.000 0.822 78 A HN 0.617 nan 8.150 nan 0.000 0.444 79 C N -0.419 118.929 119.300 0.079 0.000 2.413 79 C HA -0.115 4.345 4.460 -0.000 0.000 0.276 79 C C 2.372 177.455 174.990 0.154 0.000 1.248 79 C CA 1.202 60.283 59.018 0.106 0.000 1.742 79 C CB -1.256 26.528 27.740 0.074 0.000 2.017 79 C HN 0.608 nan 8.230 nan 0.000 0.481 80 D N 0.530 121.039 120.400 0.181 0.000 2.178 80 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 80 D C 1.905 178.317 176.300 0.186 0.000 0.980 80 D CA 0.978 55.099 54.000 0.203 0.000 0.842 80 D CB -0.376 40.581 40.800 0.262 0.000 0.948 80 D HN 0.471 nan 8.370 nan 0.000 0.472 81 I N 0.823 121.499 120.570 0.177 0.000 2.226 81 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 81 I C 2.974 179.136 176.117 0.076 0.000 1.100 81 I CA 1.498 62.812 61.300 0.022 0.000 1.374 81 I CB -0.363 37.663 38.000 0.042 0.000 1.057 81 I HN 0.040 nan 8.210 nan 0.000 0.413 82 Q N 0.649 120.560 119.800 0.185 0.000 2.124 82 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 82 Q C 2.386 178.414 176.000 0.048 0.000 0.977 82 Q CA 1.866 57.798 55.803 0.215 0.000 0.850 82 Q CB -1.141 27.760 28.738 0.270 0.000 0.901 82 Q HN 0.645 nan 8.270 nan 0.000 0.429 83 A N 0.042 122.896 122.820 0.057 0.000 1.877 83 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 83 A C 2.586 180.155 177.584 -0.025 0.000 1.186 83 A CA 1.850 53.902 52.037 0.024 0.000 0.620 83 A CB -0.664 18.364 19.000 0.046 0.000 0.822 83 A HN 0.580 nan 8.150 nan 0.000 0.443 84 V N 0.043 119.933 119.914 -0.040 0.000 2.295 84 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 84 V C 2.664 178.679 176.094 -0.132 0.000 1.049 84 V CA 2.208 64.464 62.300 -0.073 0.000 1.024 84 V CB -0.802 30.971 31.823 -0.082 0.000 0.648 84 V HN 0.604 nan 8.190 nan 0.000 0.447 85 R N -0.443 119.933 120.500 -0.208 0.000 2.105 85 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 85 R C 2.015 178.159 176.300 -0.260 0.000 1.135 85 R CA 2.062 57.962 56.100 -0.333 0.000 0.967 85 R CB -0.340 29.564 30.300 -0.659 0.000 0.861 85 R HN 0.791 nan 8.270 nan 0.000 0.442 86 H N -0.736 118.229 119.070 -0.175 0.000 2.549 86 H HA 0.322 4.878 4.556 -0.000 0.000 0.279 86 H C 1.422 176.717 175.328 -0.055 0.000 1.018 86 H CA -0.065 55.921 56.048 -0.105 0.000 1.175 86 H CB 0.161 29.891 29.762 -0.053 0.000 1.485 86 H HN 0.155 nan 8.280 nan 0.000 0.543 87 R N -0.416 120.051 120.500 -0.054 0.000 2.531 87 R HA 0.093 4.433 4.340 -0.000 0.000 0.316 87 R C -1.119 175.157 176.300 -0.040 0.000 0.955 87 R CA 0.147 56.230 56.100 -0.029 0.000 1.120 87 R CB 0.984 31.277 30.300 -0.013 0.000 1.361 87 R HN 0.356 nan 8.270 nan 0.000 0.534 88 D N 1.743 122.105 120.400 -0.063 0.000 2.446 88 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 88 D C -1.717 174.540 176.300 -0.072 0.000 1.137 88 D CA -2.129 51.832 54.000 -0.065 0.000 0.890 88 D CB 1.915 42.669 40.800 -0.078 0.000 1.071 88 D HN -0.113 nan 8.370 nan 0.000 0.528 89 P HA -0.031 nan 4.420 nan 0.000 0.230 89 P C 0.763 178.033 177.300 -0.050 0.000 1.158 89 P CA 0.321 63.390 63.100 -0.052 0.000 0.769 89 P CB 0.380 32.061 31.700 -0.032 0.000 0.807 90 A N -0.435 122.359 122.820 -0.043 0.000 2.251 90 A HA 0.221 4.541 4.320 -0.000 0.000 0.209 90 A C 0.868 178.427 177.584 -0.041 0.000 1.187 90 A CA 0.250 52.269 52.037 -0.031 0.000 0.823 90 A CB -0.128 18.864 19.000 -0.013 0.000 0.846 90 A HN 0.076 nan 8.150 nan 0.000 0.486 91 V N 0.524 120.394 119.914 -0.073 0.000 2.378 91 V HA 0.231 4.351 4.120 -0.000 0.000 0.288 91 V C 0.276 176.282 176.094 -0.146 0.000 1.016 91 V CA -0.290 61.954 62.300 -0.092 0.000 0.840 91 V CB 1.170 32.923 31.823 -0.116 0.000 0.994 91 V HN 0.610 nan 8.190 nan 0.000 0.431 92 E N 3.776 123.900 120.200 -0.126 0.000 2.340 92 E HA 0.281 4.631 4.350 -0.000 0.000 0.198 92 E C -0.114 176.343 176.600 -0.240 0.000 0.961 92 E CA 0.115 56.419 56.400 -0.161 0.000 0.905 92 E CB 0.589 30.241 29.700 -0.080 0.000 0.884 92 E HN 0.533 nan 8.360 nan 0.000 0.491 93 L N 0.461 121.575 121.223 -0.181 0.000 2.307 93 L HA 0.231 4.571 4.340 -0.000 0.000 0.282 93 L C 0.281 177.008 176.870 -0.237 0.000 1.051 93 L CA -0.778 53.970 54.840 -0.153 0.000 0.804 93 L CB 0.767 42.825 42.059 -0.002 0.000 1.197 93 L HN 0.125 nan 8.230 nan 0.000 0.431 94 W N 0.380 121.656 121.300 -0.039 0.000 2.363 94 W HA -0.194 4.466 4.660 0.000 0.000 0.296 94 W C 2.700 179.163 176.519 -0.095 0.000 1.212 94 W CA 1.191 58.492 57.345 -0.072 0.000 1.260 94 W CB -0.583 28.841 29.460 -0.060 0.000 1.131 94 W HN 0.734 nan 8.180 nan 0.000 0.530 95 S N -1.284 114.491 115.700 0.124 0.000 2.442 95 S HA -0.162 4.308 4.470 -0.000 0.000 0.236 95 S C 1.602 176.159 174.600 -0.072 0.000 1.007 95 S CA 1.600 59.819 58.200 0.032 0.000 0.965 95 S CB -0.987 62.237 63.200 0.039 0.000 0.773 95 S HN 0.209 nan 8.310 nan 0.000 0.504 96 T N 3.634 118.156 114.554 -0.053 0.000 2.674 96 T HA -0.000 4.350 4.350 -0.000 0.000 0.265 96 T C -0.642 173.988 174.700 -0.117 0.000 1.039 96 T CA 1.689 63.773 62.100 -0.027 0.000 1.150 96 T CB -1.317 67.598 68.868 0.078 0.000 0.864 96 T HN 0.419 nan 8.240 nan 0.000 0.427 97 P HA -0.009 nan 4.420 nan 0.000 0.217 97 P C 1.617 178.531 177.300 -0.645 0.000 1.150 97 P CA 0.562 63.416 63.100 -0.410 0.000 0.832 97 P CB -0.147 31.237 31.700 -0.527 0.000 0.787 98 L N -1.131 119.741 121.223 -0.586 0.000 2.046 98 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 98 L C 2.005 178.944 176.870 0.115 0.000 1.077 98 L CA 1.922 56.571 54.840 -0.318 0.000 0.747 98 L CB -1.098 40.895 42.059 -0.111 0.000 0.896 98 L HN -0.122 nan 8.230 nan 0.000 0.432 99 L N -2.512 118.674 121.223 -0.062 0.000 2.253 99 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 99 L C 1.778 178.718 176.870 0.116 0.000 1.078 99 L CA 0.801 55.609 54.840 -0.052 0.000 0.805 99 L CB -0.356 41.390 42.059 -0.521 0.000 0.963 99 L HN 0.248 nan 8.230 nan 0.000 0.459 100 Y N -1.004 119.460 120.300 0.274 0.000 2.535 100 Y HA 0.287 4.837 4.550 -0.000 0.000 0.264 100 Y C 0.836 176.799 175.900 0.104 0.000 1.087 100 Y CA -0.706 57.528 58.100 0.222 0.000 1.285 100 Y CB 0.506 39.045 38.460 0.131 0.000 1.200 100 Y HN -0.122 nan 8.280 nan 0.000 0.514 101 L N 3.911 125.156 121.223 0.036 0.000 2.363 101 L HA 0.155 4.495 4.340 -0.000 0.000 0.286 101 L C 1.375 178.081 176.870 -0.273 0.000 1.106 101 L CA -0.180 54.623 54.840 -0.062 0.000 0.859 101 L CB 0.789 42.820 42.059 -0.046 0.000 1.223 101 L HN 0.300 nan 8.230 nan 0.000 0.446 102 K N 2.119 122.471 120.400 -0.080 0.000 2.211 102 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 102 K C 1.633 178.086 176.600 -0.246 0.000 1.047 102 K CA 1.442 57.624 56.287 -0.175 0.000 0.935 102 K CB -0.191 32.386 32.500 0.128 0.000 0.728 102 K HN 0.673 nan 8.250 nan 0.000 0.452 103 G N 1.175 109.939 108.800 -0.060 0.000 2.421 103 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 103 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 103 G C 1.263 176.107 174.900 -0.093 0.000 1.171 103 G CA 0.625 45.752 45.100 0.045 0.000 0.775 103 G HN 0.414 nan 8.290 nan 0.000 0.543 104 F N 1.362 121.151 119.950 -0.269 0.000 2.134 104 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 104 F C 2.571 178.199 175.800 -0.287 0.000 1.097 104 F CA 1.961 59.791 58.000 -0.283 0.000 1.264 104 F CB -0.406 38.414 39.000 -0.300 0.000 1.001 104 F HN 0.336 nan 8.300 nan 0.000 0.479 105 H N -0.617 118.241 119.070 -0.354 0.000 2.357 105 H HA -0.028 4.528 4.556 -0.000 0.000 0.301 105 H C 2.421 177.424 175.328 -0.543 0.000 1.082 105 H CA 0.873 56.569 56.048 -0.588 0.000 1.342 105 H CB -0.367 28.814 29.762 -0.968 0.000 1.389 105 H HN 0.362 nan 8.280 nan 0.000 0.511 106 A N 0.933 123.503 122.820 -0.416 0.000 1.908 106 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 106 A C 2.332 179.907 177.584 -0.016 0.000 1.181 106 A CA 1.510 53.558 52.037 0.019 0.000 0.627 106 A CB -0.672 18.414 19.000 0.143 0.000 0.818 106 A HN 0.330 nan 8.150 nan 0.000 0.445 107 I N -0.453 119.974 120.570 -0.239 0.000 2.202 107 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 107 I C 2.517 178.561 176.117 -0.121 0.000 1.091 107 I CA 1.177 62.322 61.300 -0.258 0.000 1.368 107 I CB -0.285 37.416 38.000 -0.498 0.000 1.058 107 I HN 0.299 nan 8.210 nan 0.000 0.410 108 Q N 0.202 119.817 119.800 -0.309 0.000 2.224 108 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 108 Q C 2.341 178.325 176.000 -0.027 0.000 0.970 108 Q CA 1.295 56.977 55.803 -0.202 0.000 0.865 108 Q CB -0.609 27.920 28.738 -0.348 0.000 0.922 108 Q HN 0.422 nan 8.270 nan 0.000 0.445 109 S N 0.720 116.439 115.700 0.031 0.000 2.357 109 S HA -0.136 4.334 4.470 -0.000 0.000 0.221 109 S C 1.739 176.392 174.600 0.090 0.000 1.031 109 S CA 1.031 59.299 58.200 0.114 0.000 0.982 109 S CB -0.490 62.858 63.200 0.247 0.000 0.853 109 S HN 0.551 nan 8.310 nan 0.000 0.458 110 Y N 2.962 123.288 120.300 0.044 0.000 2.151 110 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 110 Y C 2.132 178.083 175.900 0.085 0.000 1.166 110 Y CA 1.581 59.708 58.100 0.046 0.000 1.163 110 Y CB -0.459 37.997 38.460 -0.007 0.000 0.974 110 Y HN 0.050 nan 8.280 nan 0.000 0.511 111 R N 0.310 120.535 120.500 -0.459 0.000 2.103 111 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 111 R C 2.312 178.511 176.300 -0.168 0.000 1.142 111 R CA 2.205 58.043 56.100 -0.435 0.000 0.960 111 R CB -0.618 29.621 30.300 -0.102 0.000 0.858 111 R HN 0.458 nan 8.270 nan 0.000 0.439 112 I N 0.407 120.950 120.570 -0.045 0.000 2.226 112 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 112 I C 2.724 178.899 176.117 0.097 0.000 1.100 112 I CA 1.798 63.132 61.300 0.057 0.000 1.374 112 I CB -0.584 37.431 38.000 0.026 0.000 1.057 112 I HN 0.342 nan 8.210 nan 0.000 0.413 113 T N -2.323 112.244 114.554 0.021 0.000 2.881 113 T HA -0.281 4.069 4.350 -0.000 0.000 0.270 113 T C 1.874 176.634 174.700 0.100 0.000 1.068 113 T CA 1.647 63.789 62.100 0.071 0.000 1.131 113 T CB -0.513 68.399 68.868 0.073 0.000 0.871 113 T HN 0.393 nan 8.240 nan 0.000 0.479 114 H N 0.199 119.165 119.070 -0.174 0.000 2.326 114 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 114 H C 1.966 177.358 175.328 0.107 0.000 1.081 114 H CA 1.837 57.832 56.048 -0.088 0.000 1.334 114 H CB -0.897 28.646 29.762 -0.363 0.000 1.385 114 H HN 0.533 nan 8.280 nan 0.000 0.504 115 Y N 0.697 120.964 120.300 -0.056 0.000 2.097 115 Y HA -0.248 4.302 4.550 0.000 0.000 0.282 115 Y C 2.249 178.133 175.900 -0.027 0.000 1.152 115 Y CA 2.015 60.078 58.100 -0.061 0.000 1.136 115 Y CB -0.778 37.674 38.460 -0.013 0.000 0.975 115 Y HN 0.231 nan 8.280 nan 0.000 0.498 116 L N -0.608 120.522 121.223 -0.154 0.000 2.013 116 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 116 L C 2.642 179.415 176.870 -0.162 0.000 1.073 116 L CA 1.822 56.516 54.840 -0.243 0.000 0.753 116 L CB -0.964 41.094 42.059 -0.002 0.000 0.890 116 L HN 0.577 nan 8.230 nan 0.000 0.432 117 W N 1.436 122.638 121.300 -0.163 0.000 2.338 117 W HA -0.224 4.436 4.660 -0.000 0.000 0.304 117 W C 2.030 178.463 176.519 -0.144 0.000 1.212 117 W CA 1.637 58.920 57.345 -0.102 0.000 1.264 117 W CB -0.313 29.142 29.460 -0.008 0.000 1.142 117 W HN 0.277 nan 8.180 nan 0.000 0.512 118 N N 0.250 118.912 118.700 -0.063 0.000 2.494 118 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 118 N C 1.398 176.771 175.510 -0.229 0.000 1.076 118 N CA 0.933 53.903 53.050 -0.133 0.000 0.908 118 N CB -0.404 37.999 38.487 -0.140 0.000 0.967 118 N HN 0.280 nan 8.380 nan 0.000 0.449 119 Q N 0.257 119.864 119.800 -0.322 0.000 2.320 119 Q HA 0.074 4.414 4.340 -0.000 0.000 0.201 119 Q C -0.002 175.832 176.000 -0.276 0.000 0.910 119 Q CA -0.100 55.505 55.803 -0.331 0.000 0.946 119 Q CB -0.293 28.147 28.738 -0.497 0.000 1.062 119 Q HN 0.248 nan 8.270 nan 0.000 0.503 120 N N 1.209 119.715 118.700 -0.323 0.000 2.741 120 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 120 N C -1.009 174.331 175.510 -0.284 0.000 1.115 120 N CA 0.533 53.371 53.050 -0.353 0.000 0.724 120 N CB -0.645 37.684 38.487 -0.263 0.000 1.090 120 N HN 0.183 nan 8.380 nan 0.000 0.558 121 R N 0.491 120.843 120.500 -0.247 0.000 3.436 121 R HA 0.195 4.535 4.340 -0.000 0.000 0.247 121 R C 0.982 177.212 176.300 -0.117 0.000 1.434 121 R CA -0.424 55.580 56.100 -0.160 0.000 1.543 121 R CB 0.410 30.627 30.300 -0.138 0.000 1.289 121 R HN 0.290 nan 8.270 nan 0.000 0.664 122 K N 0.334 120.636 120.400 -0.164 0.000 2.103 122 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 122 K C 2.100 178.730 176.600 0.050 0.000 1.052 122 K CA 1.718 57.955 56.287 -0.083 0.000 0.945 122 K CB 0.114 32.458 32.500 -0.260 0.000 0.722 122 K HN 0.309 nan 8.250 nan 0.000 0.443 123 S N 1.463 117.173 115.700 0.017 0.000 2.382 123 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 123 S C 2.015 176.673 174.600 0.097 0.000 1.027 123 S CA 0.873 59.108 58.200 0.059 0.000 0.991 123 S CB -0.314 62.904 63.200 0.030 0.000 0.823 123 S HN 0.165 nan 8.310 nan 0.000 0.469 124 L N 1.798 123.060 121.223 0.065 0.000 2.156 124 L HA 0.316 4.656 4.340 -0.000 0.000 0.208 124 L C 2.638 179.595 176.870 0.144 0.000 1.095 124 L CA 1.384 56.279 54.840 0.091 0.000 0.770 124 L CB -1.220 40.857 42.059 0.030 0.000 0.914 124 L HN 0.408 nan 8.230 nan 0.000 0.439 125 A N -1.071 121.831 122.820 0.137 0.000 1.968 125 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 125 A C 2.198 179.865 177.584 0.139 0.000 1.169 125 A CA 1.389 53.526 52.037 0.167 0.000 0.638 125 A CB -0.547 18.623 19.000 0.283 0.000 0.812 125 A HN 0.452 nan 8.150 nan 0.000 0.446 126 L N -2.251 119.058 121.223 0.144 0.000 2.131 126 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 126 L C 2.525 179.424 176.870 0.048 0.000 1.087 126 L CA 1.322 56.211 54.840 0.082 0.000 0.767 126 L CB -0.584 41.538 42.059 0.105 0.000 0.917 126 L HN 0.586 nan 8.230 nan 0.000 0.441 127 Y N 0.934 121.247 120.300 0.021 0.000 2.145 127 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 127 Y C 2.289 178.190 175.900 0.002 0.000 1.145 127 Y CA 1.615 59.719 58.100 0.007 0.000 1.148 127 Y CB -0.137 38.324 38.460 0.002 0.000 0.981 127 Y HN -0.011 nan 8.280 nan 0.000 0.507 128 L N 0.178 121.432 121.223 0.051 0.000 2.072 128 L HA -0.219 4.121 4.340 -0.000 0.000 0.205 128 L C 2.733 179.572 176.870 -0.052 0.000 1.079 128 L CA 1.730 56.573 54.840 0.005 0.000 0.752 128 L CB -0.769 41.361 42.059 0.119 0.000 0.906 128 L HN 0.309 nan 8.230 nan 0.000 0.436 129 Q N 0.402 120.190 119.800 -0.020 0.000 2.152 129 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 129 Q C 1.745 177.707 176.000 -0.063 0.000 0.985 129 Q CA 1.796 57.589 55.803 -0.017 0.000 0.863 129 Q CB -0.013 28.694 28.738 -0.052 0.000 0.904 129 Q HN 0.561 nan 8.270 nan 0.000 0.422 130 N N -0.237 118.383 118.700 -0.133 0.000 2.376 130 N HA -0.114 4.626 4.740 -0.000 0.000 0.177 130 N C 1.652 177.036 175.510 -0.211 0.000 1.024 130 N CA 0.717 53.674 53.050 -0.155 0.000 0.893 130 N CB 0.061 38.455 38.487 -0.155 0.000 0.980 130 N HN 0.241 nan 8.380 nan 0.000 0.439 131 Q N 1.379 120.992 119.800 -0.312 0.000 2.172 131 Q HA 0.140 4.480 4.340 -0.000 0.000 0.200 131 Q C 1.862 177.712 176.000 -0.250 0.000 0.964 131 Q CA 0.770 56.384 55.803 -0.316 0.000 0.855 131 Q CB -0.127 28.378 28.738 -0.389 0.000 0.918 131 Q HN 0.350 nan 8.270 nan 0.000 0.444 132 I N -0.465 120.010 120.570 -0.158 0.000 2.315 132 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 132 I C 2.314 178.399 176.117 -0.052 0.000 1.117 132 I CA 1.244 62.498 61.300 -0.076 0.000 1.404 132 I CB -0.373 37.704 38.000 0.129 0.000 1.071 132 I HN 0.182 nan 8.210 nan 0.000 0.419 133 S N 0.322 115.996 115.700 -0.043 0.000 2.383 133 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 133 S C 2.082 176.649 174.600 -0.054 0.000 1.026 133 S CA 1.161 59.352 58.200 -0.016 0.000 0.981 133 S CB -0.142 63.043 63.200 -0.026 0.000 0.818 133 S HN 0.219 nan 8.310 nan 0.000 0.472 134 V N 1.719 121.563 119.914 -0.117 0.000 2.307 134 V HA -0.051 4.069 4.120 -0.000 0.000 0.245 134 V C 2.812 178.813 176.094 -0.154 0.000 1.045 134 V CA 1.758 63.987 62.300 -0.118 0.000 1.024 134 V CB -1.119 30.622 31.823 -0.135 0.000 0.651 134 V HN 0.599 nan 8.190 nan 0.000 0.449 135 A N -1.005 121.628 122.820 -0.312 0.000 1.898 135 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 135 A C 1.884 179.277 177.584 -0.318 0.000 1.183 135 A CA 1.526 53.275 52.037 -0.480 0.000 0.622 135 A CB -0.391 18.020 19.000 -0.981 0.000 0.824 135 A HN 0.562 nan 8.150 nan 0.000 0.444 136 F N -1.793 118.199 119.950 0.070 0.000 2.706 136 F HA 0.225 4.752 4.527 -0.000 0.000 0.308 136 F C 0.170 176.018 175.800 0.081 0.000 1.095 136 F CA 0.033 58.093 58.000 0.099 0.000 1.244 136 F CB 0.375 39.454 39.000 0.131 0.000 1.063 136 F HN 0.156 nan 8.300 nan 0.000 0.582 137 D N 0.875 121.385 120.400 0.182 0.000 2.907 137 D HA -0.131 4.509 4.640 -0.000 0.000 0.226 137 D C -1.034 175.340 176.300 0.124 0.000 1.141 137 D CA 0.350 54.422 54.000 0.120 0.000 0.779 137 D CB -0.997 39.862 40.800 0.100 0.000 1.095 137 D HN -0.018 nan 8.370 nan 0.000 0.430 138 V N 0.572 120.586 119.914 0.167 0.000 2.531 138 V HA 0.449 4.569 4.120 -0.000 0.000 0.301 138 V C -0.263 175.903 176.094 0.119 0.000 1.034 138 V CA -0.721 61.673 62.300 0.157 0.000 0.865 138 V CB 2.117 34.097 31.823 0.262 0.000 0.995 138 V HN 0.059 nan 8.190 nan 0.000 0.424 139 D N 5.123 125.562 120.400 0.064 0.000 2.453 139 D HA 0.518 5.158 4.640 -0.000 0.000 0.238 139 D C -0.885 175.432 176.300 0.029 0.000 1.088 139 D CA -0.176 53.846 54.000 0.037 0.000 0.854 139 D CB 1.195 41.999 40.800 0.005 0.000 1.076 139 D HN 0.448 nan 8.370 nan 0.000 0.533 140 I N 3.299 123.900 120.570 0.051 0.000 2.439 140 I HA 0.177 4.347 4.170 -0.000 0.000 0.283 140 I C 0.100 176.248 176.117 0.052 0.000 1.023 140 I CA -1.029 60.289 61.300 0.030 0.000 1.100 140 I CB 1.606 39.614 38.000 0.013 0.000 1.238 140 I HN 0.354 nan 8.210 nan 0.000 0.445 141 H N 8.113 127.145 119.070 -0.062 0.000 3.034 141 H HA 0.041 4.597 4.556 -0.000 0.000 0.324 141 H C -1.751 173.549 175.328 -0.046 0.000 1.015 141 H CA -0.426 55.568 56.048 -0.090 0.000 1.429 141 H CB 1.116 30.781 29.762 -0.161 0.000 1.429 141 H HN 0.338 nan 8.280 nan 0.000 0.585 142 P HA -0.220 nan 4.420 nan 0.000 0.216 142 P C 0.789 178.147 177.300 0.096 0.000 1.150 142 P CA 2.117 65.239 63.100 0.035 0.000 0.843 142 P CB 0.091 31.743 31.700 -0.079 0.000 0.787 143 A N -0.683 122.027 122.820 -0.182 0.000 2.121 143 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 143 A C 1.294 178.911 177.584 0.055 0.000 1.154 143 A CA 0.643 52.493 52.037 -0.311 0.000 0.679 143 A CB -1.310 17.289 19.000 -0.667 0.000 0.795 143 A HN 0.248 nan 8.150 nan 0.000 0.458 144 A N 0.380 123.239 122.820 0.066 0.000 2.531 144 A HA 0.348 4.668 4.320 -0.000 0.000 0.236 144 A C 0.194 177.735 177.584 -0.072 0.000 1.062 144 A CA 0.148 52.170 52.037 -0.026 0.000 0.760 144 A CB -0.023 18.901 19.000 -0.126 0.000 0.995 144 A HN 0.456 nan 8.150 nan 0.000 0.501 145 K N 1.931 122.284 120.400 -0.079 0.000 2.281 145 K HA 0.527 4.847 4.320 -0.000 0.000 0.272 145 K C -1.132 175.394 176.600 -0.122 0.000 1.048 145 K CA 0.232 56.459 56.287 -0.099 0.000 0.898 145 K CB 1.101 33.612 32.500 0.017 0.000 1.128 145 K HN 0.588 nan 8.250 nan 0.000 0.460 146 I N 2.512 123.005 120.570 -0.128 0.000 2.410 146 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 146 I C 0.847 176.953 176.117 -0.018 0.000 1.009 146 I CA -0.718 60.508 61.300 -0.124 0.000 1.111 146 I CB 1.797 39.612 38.000 -0.308 0.000 1.262 146 I HN 0.711 nan 8.210 nan 0.000 0.443 147 G N 5.347 114.120 108.800 -0.046 0.000 2.468 147 G HA2 0.196 4.156 3.960 -0.000 0.000 0.264 147 G HA3 0.196 4.156 3.960 -0.000 0.000 0.264 147 G C -0.161 174.738 174.900 -0.002 0.000 1.460 147 G CA -0.155 44.924 45.100 -0.035 0.000 1.060 147 G HN 0.748 nan 8.290 nan 0.000 0.543 148 H N -3.087 115.979 119.070 -0.008 0.000 2.737 148 H HA 0.509 5.065 4.556 0.000 0.000 0.358 148 H C 0.563 175.890 175.328 -0.002 0.000 1.187 148 H CA -0.518 55.528 56.048 -0.004 0.000 1.221 148 H CB 1.169 30.938 29.762 0.011 0.000 1.799 148 H HN 1.513 nan 8.280 nan 0.000 0.568 149 G N 1.031 109.917 108.800 0.143 0.000 2.182 149 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 149 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 149 G C -0.173 174.740 174.900 0.023 0.000 1.042 149 G CA 0.214 45.366 45.100 0.087 0.000 0.775 149 G HN 0.492 nan 8.290 nan 0.000 0.501 153 D N 3.084 123.511 120.400 0.046 0.000 2.308 153 D HA 0.273 4.913 4.640 -0.000 0.000 0.251 153 D C 0.860 177.082 176.300 -0.130 0.000 1.127 153 D CA 1.357 55.268 54.000 -0.148 0.000 0.876 153 D CB 0.504 41.133 40.800 -0.285 0.000 1.176 153 D HN 0.549 nan 8.370 nan 0.000 0.446 154 H N 3.231 122.329 119.070 0.047 0.000 5.017 154 H HA -0.379 4.177 4.556 -0.000 0.000 0.071 154 H C 1.576 176.933 175.328 0.050 0.000 0.562 154 H CA 2.252 58.323 56.048 0.038 0.000 1.051 154 H CB -1.617 28.154 29.762 0.017 0.000 0.480 154 H HN 0.649 nan 8.280 nan 0.000 0.749 155 A N -0.830 122.072 122.820 0.137 0.000 4.320 155 A HA -0.334 3.986 4.320 -0.000 0.000 0.253 155 A C 1.181 178.804 177.584 0.065 0.000 0.699 155 A CA 2.537 54.629 52.037 0.091 0.000 1.188 155 A CB -2.435 16.666 19.000 0.170 0.000 1.126 155 A HN 0.783 nan 8.150 nan 0.000 0.699 156 T N 0.404 115.012 114.554 0.090 0.000 2.819 156 T HA 0.416 4.766 4.350 -0.000 0.000 0.282 156 T C 1.753 176.466 174.700 0.021 0.000 1.013 156 T CA 1.982 64.121 62.100 0.065 0.000 1.159 156 T CB 0.115 69.018 68.868 0.057 0.000 1.007 156 T HN 2.351 nan 8.240 nan 0.000 0.514 157 G N 3.408 112.218 108.800 0.016 0.000 2.143 157 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.249 157 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.249 157 G C 0.231 175.098 174.900 -0.054 0.000 0.981 157 G CA -0.265 44.826 45.100 -0.014 0.000 0.665 157 G HN 0.751 nan 8.290 nan 0.000 0.528 158 I N 0.497 121.018 120.570 -0.080 0.000 2.575 158 I HA 0.427 4.597 4.170 -0.000 0.000 0.285 158 I C 0.395 176.447 176.117 -0.109 0.000 1.085 158 I CA -0.385 60.812 61.300 -0.172 0.000 1.403 158 I CB 1.441 39.225 38.000 -0.360 0.000 1.409 158 I HN -0.090 nan 8.210 nan 0.000 0.557 159 V N 6.918 126.755 119.914 -0.128 0.000 2.623 159 V HA 0.348 4.468 4.120 -0.000 0.000 0.304 159 V C -0.452 175.562 176.094 -0.132 0.000 1.054 159 V CA -0.617 61.625 62.300 -0.096 0.000 0.882 159 V CB 2.101 33.876 31.823 -0.081 0.000 1.002 159 V HN 0.365 nan 8.190 nan 0.000 0.424 160 V N 3.679 123.523 119.914 -0.116 0.000 2.444 160 V HA 0.681 4.801 4.120 -0.000 0.000 0.294 160 V C 0.845 176.820 176.094 -0.199 0.000 1.022 160 V CA -0.343 61.863 62.300 -0.156 0.000 0.850 160 V CB 1.787 33.540 31.823 -0.117 0.000 0.992 160 V HN 0.961 nan 8.190 nan 0.000 0.426 161 G N 2.172 110.737 108.800 -0.391 0.000 2.594 161 G HA2 0.210 4.170 3.960 -0.000 0.000 0.243 161 G HA3 0.210 4.170 3.960 -0.000 0.000 0.243 161 G C 0.748 175.454 174.900 -0.324 0.000 1.229 161 G CA 0.212 44.898 45.100 -0.689 0.000 0.843 161 G HN 0.914 nan 8.290 nan 0.000 0.578 162 E N -0.706 119.385 120.200 -0.181 0.000 2.114 162 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 162 E C 2.092 178.644 176.600 -0.080 0.000 1.008 162 E CA 1.945 58.136 56.400 -0.349 0.000 0.810 162 E CB -0.097 29.223 29.700 -0.634 0.000 0.739 162 E HN 0.527 nan 8.360 nan 0.000 0.456 163 T N -1.350 113.374 114.554 0.283 0.000 3.163 163 T HA 0.230 4.580 4.350 -0.000 0.000 0.252 163 T C 0.421 175.179 174.700 0.097 0.000 1.056 163 T CA -0.238 61.919 62.100 0.094 0.000 0.947 163 T CB 0.401 69.247 68.868 -0.038 0.000 1.016 163 T HN -0.078 nan 8.240 nan 0.000 0.554 164 S N 1.194 116.943 115.700 0.082 0.000 2.579 164 S HA 0.477 4.947 4.470 -0.000 0.000 0.275 164 S C -0.048 174.538 174.600 -0.024 0.000 1.345 164 S CA -0.652 57.554 58.200 0.011 0.000 1.031 164 S CB 1.203 64.358 63.200 -0.074 0.000 0.892 164 S HN 0.305 nan 8.310 nan 0.000 0.529 165 V N 2.826 122.722 119.914 -0.031 0.000 2.638 165 V HA 0.488 4.608 4.120 -0.000 0.000 0.306 165 V C -0.629 175.430 176.094 -0.059 0.000 1.052 165 V CA -0.538 61.737 62.300 -0.042 0.000 0.885 165 V CB 1.591 33.400 31.823 -0.024 0.000 0.999 165 V HN 0.757 nan 8.190 nan 0.000 0.424 166 I N 3.979 124.505 120.570 -0.074 0.000 2.476 166 I HA 0.423 4.593 4.170 -0.000 0.000 0.281 166 I C 0.323 176.388 176.117 -0.087 0.000 1.040 166 I CA -0.414 60.840 61.300 -0.076 0.000 1.094 166 I CB 1.728 39.690 38.000 -0.064 0.000 1.219 166 I HN 0.641 nan 8.210 nan 0.000 0.450 167 E N 4.135 124.275 120.200 -0.100 0.000 2.620 167 E HA 0.234 4.584 4.350 -0.000 0.000 0.255 167 E C -0.288 176.218 176.600 -0.157 0.000 1.346 167 E CA -0.809 55.519 56.400 -0.120 0.000 1.013 167 E CB 0.647 30.273 29.700 -0.124 0.000 1.131 167 E HN 0.425 nan 8.360 nan 0.000 0.608 168 N N 1.922 120.497 118.700 -0.208 0.000 2.416 168 N HA -0.040 4.700 4.740 -0.000 0.000 0.246 168 N C -0.482 174.913 175.510 -0.192 0.000 1.260 168 N CA 0.412 53.308 53.050 -0.256 0.000 0.897 168 N CB 0.116 38.378 38.487 -0.375 0.000 1.110 168 N HN 0.406 nan 8.380 nan 0.000 0.439 169 D N -1.388 118.928 120.400 -0.140 0.000 2.772 169 D HA -0.150 4.490 4.640 -0.000 0.000 0.233 169 D C -0.629 175.616 176.300 -0.092 0.000 1.143 169 D CA 0.517 54.467 54.000 -0.083 0.000 0.700 169 D CB -1.368 39.400 40.800 -0.053 0.000 1.076 169 D HN 0.119 nan 8.370 nan 0.000 0.430 170 V N 0.217 120.082 119.914 -0.082 0.000 2.644 170 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 170 V C 0.796 176.892 176.094 0.003 0.000 1.053 170 V CA -0.156 62.106 62.300 -0.063 0.000 0.987 170 V CB 2.069 33.858 31.823 -0.058 0.000 1.006 170 V HN 0.111 nan 8.190 nan 0.000 0.472 171 S N 4.397 120.097 115.700 0.000 0.000 2.502 171 S HA 0.717 5.187 4.470 -0.000 0.000 0.304 171 S C -0.682 173.920 174.600 0.003 0.000 1.097 171 S CA -0.410 57.806 58.200 0.027 0.000 1.045 171 S CB 1.075 64.277 63.200 0.004 0.000 1.019 171 S HN 0.488 nan 8.310 nan 0.000 0.481 172 I N 3.480 124.057 120.570 0.012 0.000 2.533 172 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 172 I C -0.830 175.201 176.117 -0.143 0.000 1.056 172 I CA -0.624 60.598 61.300 -0.129 0.000 1.057 172 I CB 1.716 39.509 38.000 -0.346 0.000 1.240 172 I HN 0.349 nan 8.210 nan 0.000 0.423 173 L N 4.379 125.528 121.223 -0.124 0.000 2.416 173 L HA 0.335 4.675 4.340 -0.000 0.000 0.263 173 L C 0.414 177.228 176.870 -0.092 0.000 1.065 173 L CA -0.788 54.009 54.840 -0.072 0.000 0.798 173 L CB 0.839 42.889 42.059 -0.016 0.000 1.267 173 L HN 0.579 nan 8.230 nan 0.000 0.467 174 Q N 0.863 120.658 119.800 -0.009 0.000 2.369 174 Q HA 0.015 4.355 4.340 -0.000 0.000 0.295 174 Q C 0.698 176.672 176.000 -0.045 0.000 1.075 174 Q CA 0.645 56.441 55.803 -0.010 0.000 0.941 174 Q CB -0.114 28.652 28.738 0.048 0.000 1.260 174 Q HN 0.869 nan 8.270 nan 0.000 0.417 175 G N 0.761 109.527 108.800 -0.056 0.000 2.168 175 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.263 175 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.263 175 G C 0.152 175.005 174.900 -0.079 0.000 0.977 175 G CA 0.359 45.424 45.100 -0.057 0.000 0.659 175 G HN 1.324 nan 8.290 nan 0.000 0.533 176 V N -0.668 119.174 119.914 -0.120 0.000 2.567 176 V HA 0.858 4.978 4.120 -0.000 0.000 0.289 176 V C 0.187 176.197 176.094 -0.140 0.000 1.049 176 V CA 0.351 62.575 62.300 -0.127 0.000 0.969 176 V CB 1.809 33.543 31.823 -0.149 0.000 0.995 176 V HN 0.352 nan 8.190 nan 0.000 0.471 177 T N 7.547 122.035 114.554 -0.111 0.000 2.807 177 T HA 0.559 4.909 4.350 -0.000 0.000 0.279 177 T C -0.319 174.313 174.700 -0.113 0.000 0.993 177 T CA -0.332 61.702 62.100 -0.111 0.000 0.970 177 T CB 1.110 69.930 68.868 -0.080 0.000 0.950 177 T HN 0.680 nan 8.240 nan 0.000 0.441 178 L N 3.675 124.815 121.223 -0.139 0.000 2.297 178 L HA 0.622 4.962 4.340 -0.000 0.000 0.277 178 L C 0.780 177.545 176.870 -0.175 0.000 1.040 178 L CA -0.458 54.304 54.840 -0.130 0.000 0.867 178 L CB 0.495 42.471 42.059 -0.139 0.000 1.244 178 L HN 0.803 nan 8.230 nan 0.000 0.433 179 G N 1.450 110.191 108.800 -0.097 0.000 3.262 179 G HA2 0.761 4.721 3.960 -0.000 0.000 0.229 179 G HA3 0.761 4.721 3.960 -0.000 0.000 0.229 179 G C -0.660 174.336 174.900 0.159 0.000 1.280 179 G CA -0.330 44.726 45.100 -0.074 0.000 0.951 179 G HN 0.507 nan 8.290 nan 0.000 0.589 180 G N -2.107 106.811 108.800 0.196 0.000 2.644 180 G HA2 0.482 4.442 3.960 -0.000 0.000 0.307 180 G HA3 0.482 4.442 3.960 -0.000 0.000 0.307 180 G C 0.749 175.688 174.900 0.065 0.000 1.250 180 G CA 0.750 45.952 45.100 0.169 0.000 0.996 180 G HN 1.052 nan 8.290 nan 0.000 0.489 181 T N -4.285 110.287 114.554 0.031 0.000 3.037 181 T HA 0.419 4.769 4.350 -0.000 0.000 0.252 181 T C 1.524 176.229 174.700 0.009 0.000 1.073 181 T CA 1.267 63.376 62.100 0.014 0.000 1.091 181 T CB 0.483 69.353 68.868 0.003 0.000 0.935 181 T HN 1.944 nan 8.240 nan 0.000 0.488 182 G N 0.487 109.290 108.800 0.006 0.000 3.033 182 G HA2 0.195 4.155 3.960 -0.000 0.000 0.208 182 G HA3 0.195 4.155 3.960 -0.000 0.000 0.208 182 G C 0.403 175.298 174.900 -0.008 0.000 1.006 182 G CA 0.056 45.158 45.100 0.003 0.000 0.808 182 G HN 0.815 nan 8.290 nan 0.000 0.499 183 K N 1.072 121.459 120.400 -0.021 0.000 2.405 183 K HA 0.534 4.854 4.320 -0.000 0.000 0.276 183 K C 1.095 177.672 176.600 -0.040 0.000 1.099 183 K CA 1.710 57.977 56.287 -0.033 0.000 1.120 183 K CB -0.791 31.678 32.500 -0.051 0.000 0.877 183 K HN 1.428 nan 8.250 nan 0.000 0.472 184 E N 0.815 121.000 120.200 -0.025 0.000 2.347 184 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 184 E C 0.986 177.568 176.600 -0.031 0.000 1.008 184 E CA 1.102 57.492 56.400 -0.018 0.000 0.852 184 E CB -0.212 29.487 29.700 -0.001 0.000 0.783 184 E HN 1.265 nan 8.360 nan 0.000 0.505 185 S N -2.934 112.739 115.700 -0.045 0.000 2.588 185 S HA 0.743 5.213 4.470 -0.000 0.000 0.275 185 S C 0.525 175.082 174.600 -0.073 0.000 1.130 185 S CA -0.214 57.956 58.200 -0.051 0.000 0.855 185 S CB 1.651 64.839 63.200 -0.020 0.000 1.116 185 S HN 1.744 nan 8.310 nan 0.000 0.472 186 G N 0.793 109.547 108.800 -0.076 0.000 2.710 186 G HA2 0.027 3.987 3.960 -0.000 0.000 0.668 186 G HA3 0.027 3.987 3.960 -0.000 0.000 0.668 186 G C -0.962 173.863 174.900 -0.125 0.000 1.320 186 G CA -0.371 44.684 45.100 -0.075 0.000 0.860 186 G HN 1.037 nan 8.290 nan 0.000 0.538 187 D N 0.914 121.259 120.400 -0.092 0.000 2.479 187 D HA 0.176 4.816 4.640 -0.000 0.000 0.257 187 D C 1.649 177.857 176.300 -0.154 0.000 1.230 187 D CA 0.675 54.612 54.000 -0.105 0.000 0.912 187 D CB 0.055 40.822 40.800 -0.054 0.000 1.130 187 D HN 0.680 nan 8.370 nan 0.000 0.515 188 R N 2.157 122.485 120.500 -0.287 0.000 2.544 188 R HA 0.177 4.517 4.340 -0.000 0.000 0.426 188 R C -0.374 175.747 176.300 -0.298 0.000 0.943 188 R CA -0.539 55.377 56.100 -0.307 0.000 1.162 188 R CB -0.071 30.014 30.300 -0.358 0.000 1.588 188 R HN 0.309 nan 8.270 nan 0.000 0.563 189 H N 0.761 119.805 119.070 -0.045 0.000 2.731 189 H HA 0.448 5.004 4.556 -0.000 0.000 0.368 189 H C -2.673 172.627 175.328 -0.046 0.000 1.168 189 H CA -2.574 53.444 56.048 -0.049 0.000 1.181 189 H CB 2.312 32.036 29.762 -0.064 0.000 1.743 189 H HN -0.122 nan 8.280 nan 0.000 0.547 190 P HA -0.040 nan 4.420 nan 0.000 0.265 190 P C -0.879 176.422 177.300 0.001 0.000 1.187 190 P CA 0.161 63.272 63.100 0.019 0.000 0.766 190 P CB 0.555 32.249 31.700 -0.010 0.000 0.820 191 K N 2.313 122.705 120.400 -0.014 0.000 2.354 191 K HA 0.301 4.621 4.320 -0.000 0.000 0.257 191 K C -1.118 175.456 176.600 -0.043 0.000 1.062 191 K CA -0.373 55.900 56.287 -0.024 0.000 0.971 191 K CB 0.345 32.833 32.500 -0.020 0.000 1.305 191 K HN 0.108 nan 8.250 nan 0.000 0.449 192 V N 5.884 125.765 119.914 -0.055 0.000 2.339 192 V HA 0.241 4.361 4.120 -0.000 0.000 0.261 192 V C 0.600 176.636 176.094 -0.097 0.000 1.058 192 V CA -0.790 61.466 62.300 -0.074 0.000 0.897 192 V CB 0.088 31.867 31.823 -0.074 0.000 1.052 192 V HN 0.567 nan 8.190 nan 0.000 0.480 193 R N 2.892 123.324 120.500 -0.113 0.000 2.840 193 R HA 0.161 4.501 4.340 -0.000 0.000 0.282 193 R C 0.698 176.860 176.300 -0.229 0.000 1.133 193 R CA -0.442 55.569 56.100 -0.148 0.000 1.208 193 R CB 0.482 30.701 30.300 -0.135 0.000 1.160 193 R HN 0.925 nan 8.270 nan 0.000 0.576 194 E N -0.516 119.515 120.200 -0.281 0.000 2.415 194 E HA 0.120 4.470 4.350 -0.000 0.000 0.262 194 E C 0.487 176.629 176.600 -0.764 0.000 1.038 194 E CA 0.482 56.636 56.400 -0.410 0.000 0.921 194 E CB 0.181 29.681 29.700 -0.334 0.000 0.950 194 E HN 0.701 nan 8.360 nan 0.000 0.438 195 G N 1.858 110.260 108.800 -0.663 0.000 2.175 195 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 195 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 195 G C 0.370 175.026 174.900 -0.406 0.000 0.979 195 G CA 0.271 44.925 45.100 -0.742 0.000 0.663 195 G HN 0.471 nan 8.290 nan 0.000 0.533 199 G N 3.658 112.437 108.800 -0.034 0.000 2.636 199 G HA2 0.555 4.515 3.960 -0.000 0.000 0.246 199 G HA3 0.555 4.515 3.960 -0.000 0.000 0.246 199 G C 0.386 175.268 174.900 -0.030 0.000 1.216 199 G CA -0.041 45.044 45.100 -0.024 0.000 0.854 199 G HN 0.891 nan 8.290 nan 0.000 0.572 200 A N -0.482 122.330 122.820 -0.014 0.000 2.566 200 A HA 0.478 4.798 4.320 -0.000 0.000 0.245 200 A C 1.760 179.329 177.584 -0.025 0.000 1.056 200 A CA 1.390 53.418 52.037 -0.015 0.000 0.757 200 A CB -0.573 18.432 19.000 0.008 0.000 0.979 200 A HN 2.635 nan 8.150 nan 0.000 0.508 201 G N 1.125 109.903 108.800 -0.037 0.000 2.234 201 G HA2 0.095 4.055 3.960 -0.000 0.000 0.260 201 G HA3 0.095 4.055 3.960 -0.000 0.000 0.260 201 G C 0.720 175.595 174.900 -0.041 0.000 0.987 201 G CA 0.648 45.726 45.100 -0.037 0.000 0.625 201 G HN 2.319 nan 8.290 nan 0.000 0.532 202 A N 0.090 122.882 122.820 -0.046 0.000 2.498 202 A HA 0.542 4.862 4.320 -0.000 0.000 0.239 202 A C 0.414 177.966 177.584 -0.053 0.000 1.068 202 A CA 0.611 52.622 52.037 -0.045 0.000 0.766 202 A CB 0.358 19.331 19.000 -0.045 0.000 1.003 202 A HN 0.252 nan 8.150 nan 0.000 0.497 203 K N 2.269 122.643 120.400 -0.043 0.000 2.358 203 K HA 0.530 4.850 4.320 -0.000 0.000 0.260 203 K C -1.125 175.453 176.600 -0.037 0.000 0.956 203 K CA -0.013 56.248 56.287 -0.043 0.000 0.834 203 K CB 1.424 33.905 32.500 -0.033 0.000 1.102 203 K HN 0.587 nan 8.250 nan 0.000 0.431 204 I N 5.255 125.799 120.570 -0.043 0.000 2.390 204 I HA 0.322 4.492 4.170 -0.000 0.000 0.283 204 I C -0.513 175.592 176.117 -0.020 0.000 1.016 204 I CA -0.763 60.517 61.300 -0.033 0.000 1.151 204 I CB 0.746 38.720 38.000 -0.044 0.000 1.293 204 I HN 0.247 nan 8.210 nan 0.000 0.458 205 L N 6.151 127.371 121.223 -0.005 0.000 2.341 205 L HA 0.960 5.300 4.340 -0.000 0.000 0.278 205 L C 0.434 177.317 176.870 0.021 0.000 1.005 205 L CA -0.594 54.255 54.840 0.016 0.000 0.818 205 L CB 1.668 43.734 42.059 0.012 0.000 1.259 205 L HN 0.797 nan 8.230 nan 0.000 0.418 206 G N 2.130 110.957 108.800 0.045 0.000 2.479 206 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 206 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 206 G C -1.179 173.731 174.900 0.016 0.000 1.295 206 G CA -0.854 44.258 45.100 0.019 0.000 0.922 206 G HN 0.672 nan 8.290 nan 0.000 0.582 207 N N 0.595 119.289 118.700 -0.011 0.000 3.034 207 N HA 0.453 5.193 4.740 -0.000 0.000 0.265 207 N C 0.348 175.852 175.510 -0.010 0.000 1.166 207 N CA -0.101 52.940 53.050 -0.015 0.000 1.081 207 N CB -0.733 37.733 38.487 -0.036 0.000 1.378 207 N HN 0.896 nan 8.380 nan 0.000 0.520 208 I N -1.931 118.636 120.570 -0.004 0.000 2.785 208 I HA 0.593 4.763 4.170 -0.000 0.000 0.302 208 I C -0.333 175.777 176.117 -0.012 0.000 1.069 208 I CA -1.019 60.276 61.300 -0.008 0.000 1.045 208 I CB 1.982 39.978 38.000 -0.007 0.000 1.236 208 I HN -0.113 nan 8.210 nan 0.000 0.429 209 E N 3.339 123.531 120.200 -0.013 0.000 2.289 209 E HA 0.333 4.683 4.350 -0.000 0.000 0.278 209 E C -0.927 175.658 176.600 -0.025 0.000 1.032 209 E CA -0.394 55.994 56.400 -0.019 0.000 0.854 209 E CB 2.335 32.026 29.700 -0.015 0.000 1.046 209 E HN 0.447 nan 8.360 nan 0.000 0.409 210 V N 3.014 122.905 119.914 -0.039 0.000 2.284 210 V HA 0.253 4.373 4.120 -0.000 0.000 0.274 210 V C 0.753 176.807 176.094 -0.067 0.000 1.023 210 V CA -0.877 61.394 62.300 -0.048 0.000 0.808 210 V CB 1.280 33.069 31.823 -0.056 0.000 1.035 210 V HN 0.747 nan 8.190 nan 0.000 0.445 211 G N 3.724 112.490 108.800 -0.056 0.000 2.368 211 G HA2 0.020 3.980 3.960 -0.000 0.000 0.233 211 G HA3 0.020 3.980 3.960 -0.000 0.000 0.233 211 G C 0.266 175.078 174.900 -0.146 0.000 1.267 211 G CA -0.066 44.990 45.100 -0.074 0.000 0.873 211 G HN 0.837 nan 8.290 nan 0.000 0.539 212 K N 1.972 122.263 120.400 -0.181 0.000 2.543 212 K HA -0.123 4.197 4.320 -0.000 0.000 0.279 212 K C -0.171 176.176 176.600 -0.421 0.000 1.001 212 K CA 0.215 56.315 56.287 -0.312 0.000 1.088 212 K CB -0.168 32.212 32.500 -0.200 0.000 0.863 212 K HN 0.684 nan 8.250 nan 0.000 0.488 213 Y N -0.879 119.205 120.300 -0.361 0.000 4.324 213 Y HA -0.343 4.207 4.550 -0.000 0.000 0.224 213 Y C 0.575 176.339 175.900 -0.227 0.000 1.113 213 Y CA 0.635 58.532 58.100 -0.339 0.000 1.887 213 Y CB -2.175 35.979 38.460 -0.510 0.000 1.602 213 Y HN 0.728 nan 8.280 nan 0.000 0.654 214 A N 0.250 123.005 122.820 -0.109 0.000 2.280 214 A HA 0.802 5.122 4.320 -0.000 0.000 0.268 214 A C 0.510 178.085 177.584 -0.015 0.000 1.111 214 A CA 0.275 52.292 52.037 -0.035 0.000 0.814 214 A CB 0.463 19.436 19.000 -0.045 0.000 1.093 214 A HN 0.662 nan 8.150 nan 0.000 0.498 215 K N 0.699 121.101 120.400 0.004 0.000 2.482 215 K HA 0.622 4.942 4.320 -0.000 0.000 0.251 215 K C -1.212 175.386 176.600 -0.003 0.000 0.936 215 K CA -0.581 55.708 56.287 0.004 0.000 0.791 215 K CB 1.227 33.742 32.500 0.024 0.000 1.213 215 K HN 0.589 nan 8.250 nan 0.000 0.428 216 I N 2.586 123.147 120.570 -0.014 0.000 2.378 216 I HA 0.470 4.640 4.170 -0.000 0.000 0.291 216 I C 0.988 177.097 176.117 -0.013 0.000 0.992 216 I CA -1.310 59.980 61.300 -0.016 0.000 1.154 216 I CB 0.985 38.967 38.000 -0.029 0.000 1.315 216 I HN 0.826 nan 8.210 nan 0.000 0.448 217 G N 4.112 112.907 108.800 -0.008 0.000 2.503 217 G HA2 0.461 4.421 3.960 -0.000 0.000 0.257 217 G HA3 0.461 4.421 3.960 -0.000 0.000 0.257 217 G C 0.235 175.129 174.900 -0.011 0.000 1.214 217 G CA -0.388 44.709 45.100 -0.006 0.000 0.839 217 G HN 0.851 nan 8.290 nan 0.000 0.559 218 A N 1.433 124.247 122.820 -0.009 0.000 2.603 218 A HA 0.210 4.530 4.320 -0.000 0.000 0.235 218 A C 1.337 178.913 177.584 -0.014 0.000 1.035 218 A CA 0.842 52.871 52.037 -0.012 0.000 0.755 218 A CB -0.244 18.752 19.000 -0.007 0.000 0.954 218 A HN 1.222 nan 8.150 nan 0.000 0.511 219 N N -0.411 118.278 118.700 -0.019 0.000 2.815 219 N HA -0.162 4.578 4.740 -0.000 0.000 0.247 219 N C 0.109 175.609 175.510 -0.018 0.000 1.030 219 N CA 1.481 54.520 53.050 -0.018 0.000 0.881 219 N CB -1.805 36.673 38.487 -0.014 0.000 1.134 219 N HN 0.716 nan 8.380 nan 0.000 0.582 220 S N -0.283 115.407 115.700 -0.018 0.000 2.579 220 S HA 0.380 4.850 4.470 -0.000 0.000 0.275 220 S C 0.535 175.124 174.600 -0.019 0.000 1.345 220 S CA -0.426 57.765 58.200 -0.016 0.000 1.031 220 S CB 2.018 65.209 63.200 -0.015 0.000 0.892 220 S HN 0.079 nan 8.310 nan 0.000 0.529 221 V N 3.149 123.054 119.914 -0.015 0.000 2.350 221 V HA 0.288 4.408 4.120 -0.000 0.000 0.285 221 V C -0.496 175.590 176.094 -0.014 0.000 1.014 221 V CA -0.628 61.663 62.300 -0.016 0.000 0.831 221 V CB 1.400 33.215 31.823 -0.013 0.000 1.000 221 V HN 0.687 nan 8.190 nan 0.000 0.433 222 V N 7.117 127.021 119.914 -0.016 0.000 2.350 222 V HA 0.376 4.496 4.120 -0.000 0.000 0.276 222 V C 0.538 176.625 176.094 -0.011 0.000 1.028 222 V CA -0.107 62.184 62.300 -0.014 0.000 0.860 222 V CB 1.340 33.151 31.823 -0.019 0.000 0.990 222 V HN 0.759 nan 8.190 nan 0.000 0.453 223 L N 3.638 124.857 121.223 -0.008 0.000 2.858 223 L HA 0.436 4.776 4.340 -0.000 0.000 0.251 223 L C 0.277 177.144 176.870 -0.005 0.000 1.149 223 L CA 0.183 55.020 54.840 -0.005 0.000 0.955 223 L CB 0.271 42.327 42.059 -0.004 0.000 1.289 223 L HN 0.576 nan 8.230 nan 0.000 0.542 224 N N 0.015 118.712 118.700 -0.005 0.000 2.229 224 N HA 0.402 5.142 4.740 -0.000 0.000 0.298 224 N C -2.668 172.839 175.510 -0.005 0.000 1.114 224 N CA -1.277 51.771 53.050 -0.004 0.000 0.776 224 N CB 1.941 40.427 38.487 -0.002 0.000 1.501 224 N HN -0.299 nan 8.380 nan 0.000 0.474 225 P HA -0.046 nan 4.420 nan 0.000 0.266 225 P C -0.637 176.661 177.300 -0.003 0.000 1.180 225 P CA 0.127 63.224 63.100 -0.005 0.000 0.765 225 P CB 0.581 32.279 31.700 -0.002 0.000 0.806 226 V N 5.157 125.067 119.914 -0.007 0.000 2.409 226 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 226 V C -2.099 173.997 176.094 0.002 0.000 1.020 226 V CA -2.013 60.285 62.300 -0.003 0.000 0.848 226 V CB 1.490 33.306 31.823 -0.013 0.000 0.990 226 V HN 0.502 nan 8.190 nan 0.000 0.430 227 P HA 0.110 nan 4.420 nan 0.000 0.269 227 P C -0.066 177.261 177.300 0.044 0.000 1.217 227 P CA -0.203 62.919 63.100 0.036 0.000 0.783 227 P CB 0.462 32.193 31.700 0.050 0.000 0.898 228 E N 0.957 121.196 120.200 0.064 0.000 2.418 228 E HA -0.056 4.294 4.350 -0.000 0.000 0.261 228 E C -0.196 176.514 176.600 0.183 0.000 1.070 228 E CA -0.122 56.297 56.400 0.033 0.000 0.931 228 E CB -0.258 29.494 29.700 0.086 0.000 0.954 228 E HN 0.406 nan 8.360 nan 0.000 0.439 229 Y N -1.915 118.440 120.300 0.093 0.000 4.396 229 Y HA -0.319 4.231 4.550 -0.000 0.000 0.216 229 Y C 0.384 176.312 175.900 0.048 0.000 1.080 229 Y CA 0.572 58.721 58.100 0.083 0.000 1.811 229 Y CB -2.119 36.374 38.460 0.055 0.000 1.591 229 Y HN 0.567 nan 8.280 nan 0.000 0.626 230 A N -0.409 122.494 122.820 0.138 0.000 2.282 230 A HA 0.800 5.120 4.320 -0.000 0.000 0.319 230 A C 0.388 178.006 177.584 0.057 0.000 1.121 230 A CA -0.121 51.969 52.037 0.090 0.000 0.836 230 A CB 0.821 19.861 19.000 0.065 0.000 1.146 230 A HN 0.154 nan 8.150 nan 0.000 0.494 231 T N 1.093 115.674 114.554 0.044 0.000 2.797 231 T HA 0.636 4.986 4.350 -0.000 0.000 0.279 231 T C -0.165 174.546 174.700 0.018 0.000 0.991 231 T CA 0.146 62.264 62.100 0.029 0.000 0.979 231 T CB 1.371 70.256 68.868 0.029 0.000 0.943 231 T HN 1.102 nan 8.240 nan 0.000 0.444 232 A N 2.194 125.019 122.820 0.009 0.000 2.342 232 A HA 0.975 5.295 4.320 -0.000 0.000 0.323 232 A C -0.532 177.052 177.584 -0.000 0.000 1.125 232 A CA -0.751 51.288 52.037 0.003 0.000 0.785 232 A CB 1.110 20.109 19.000 -0.002 0.000 1.221 232 A HN 1.187 nan 8.150 nan 0.000 0.463 233 A N 0.749 123.568 122.820 -0.000 0.000 2.594 233 A HA 0.951 5.271 4.320 -0.000 0.000 0.296 233 A C -0.068 177.515 177.584 -0.003 0.000 1.061 233 A CA 0.217 52.252 52.037 -0.002 0.000 0.689 233 A CB 0.792 19.791 19.000 -0.000 0.000 1.280 233 A HN 2.898 nan 8.150 nan 0.000 0.406 234 G N -1.320 107.477 108.800 -0.005 0.000 2.381 234 G HA2 0.488 4.448 3.960 -0.000 0.000 0.672 234 G HA3 0.488 4.448 3.960 -0.000 0.000 0.672 234 G C -1.320 173.576 174.900 -0.006 0.000 1.324 234 G CA -0.145 44.953 45.100 -0.005 0.000 0.975 234 G HN 1.795 nan 8.290 nan 0.000 0.593 235 V N 3.160 123.070 119.914 -0.006 0.000 2.340 235 V HA 0.531 4.651 4.120 -0.000 0.000 0.277 235 V C -1.001 175.090 176.094 -0.005 0.000 1.017 235 V CA -0.646 61.650 62.300 -0.006 0.000 0.820 235 V CB 0.843 32.662 31.823 -0.007 0.000 1.028 235 V HN 0.916 nan 8.190 nan 0.000 0.436 236 P HA 0.568 nan 4.420 nan 0.000 0.274 236 P C -0.250 177.047 177.300 -0.005 0.000 1.256 236 P CA -0.329 62.768 63.100 -0.005 0.000 0.795 236 P CB 1.189 32.886 31.700 -0.004 0.000 1.038 237 A N 1.401 124.217 122.820 -0.006 0.000 2.351 237 A HA 0.569 4.889 4.320 -0.000 0.000 0.257 237 A C 0.511 178.093 177.584 -0.002 0.000 1.087 237 A CA -0.354 51.681 52.037 -0.005 0.000 0.798 237 A CB 0.189 19.185 19.000 -0.007 0.000 1.033 237 A HN 0.767 nan 8.150 nan 0.000 0.488 238 R N 1.903 122.402 120.500 -0.000 0.000 2.668 238 R HA 0.383 4.723 4.340 -0.000 0.000 0.272 238 R C -1.421 174.882 176.300 0.005 0.000 1.019 238 R CA -0.749 55.352 56.100 0.002 0.000 0.894 238 R CB 0.229 30.530 30.300 0.002 0.000 1.228 238 R HN 0.562 nan 8.270 nan 0.000 0.460 239 I N 2.469 123.043 120.570 0.007 0.000 2.828 239 I HA -0.051 4.119 4.170 -0.000 0.000 0.292 239 I C 0.680 176.804 176.117 0.012 0.000 1.206 239 I CA 0.238 61.545 61.300 0.012 0.000 1.420 239 I CB 0.424 38.433 38.000 0.016 0.000 1.368 239 I HN 0.315 nan 8.210 nan 0.000 0.556 240 V N 0.000 119.922 119.914 0.013 0.000 2.409 240 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 240 V CA 0.000 62.307 62.300 0.012 0.000 1.235 240 V CB 0.000 31.829 31.823 0.009 0.000 1.184 240 V HN 0.000 nan 8.190 nan 0.000 0.556