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 2gcu_1_B DATA FIRST_RESID 12 DATA SEQUENCE MKLLFRQLFE NESSTFTYLL ADVSHPDKPA LLIDPVDKTV DRDLKLIDEL DATA SEQUENCE GLKLIYAMNT HVHADHVTGT GLLKTKLPGV KSVISKASGS KADLFLEPGD DATA SEQUENCE KVSIGDIYLE VRATPGHTAG CVTYVTGEGA DQPQPRMAFT GDAVLIRGCG DATA SEQUENCE RTDFQEGSSD QLYESVHSQI FTLPKDTLIY PAHDYKGFEV STVGEEMQHN DATA SEQUENCE PRLTKDKETF KTIMSNLNLS YPKMIDVAVP ANMVXGL 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 12 M HA 0.000 nan 4.480 nan 0.000 0.227 12 M C 0.000 176.329 176.300 0.048 0.000 1.140 12 M CA 0.000 55.336 55.300 0.059 0.000 0.988 12 M CB 0.000 32.640 32.600 0.067 0.000 1.302 13 K N 2.997 123.428 120.400 0.050 0.000 2.579 13 K HA 0.692 5.012 4.320 -0.000 0.000 0.250 13 K C -2.010 174.620 176.600 0.050 0.000 0.952 13 K CA -0.809 55.505 56.287 0.044 0.000 0.857 13 K CB 1.534 34.059 32.500 0.041 0.000 1.123 13 K HN 0.931 nan 8.250 nan 0.000 0.433 14 L N 5.956 127.209 121.223 0.050 0.000 2.281 14 L HA 0.396 4.736 4.340 -0.000 0.000 0.285 14 L C -1.194 175.728 176.870 0.086 0.000 1.074 14 L CA -0.190 54.689 54.840 0.065 0.000 0.817 14 L CB 0.895 42.987 42.059 0.054 0.000 1.168 14 L HN 0.696 nan 8.230 nan 0.000 0.434 15 L N 6.008 127.285 121.223 0.090 0.000 2.282 15 L HA 0.542 4.882 4.340 -0.000 0.000 0.288 15 L C -1.459 175.509 176.870 0.162 0.000 1.033 15 L CA -0.428 54.469 54.840 0.096 0.000 0.807 15 L CB 0.984 43.072 42.059 0.049 0.000 1.209 15 L HN 0.715 nan 8.230 nan 0.000 0.423 16 F N 5.721 125.669 119.950 -0.004 0.000 2.539 16 F HA 0.648 5.175 4.527 -0.000 0.000 0.318 16 F C -1.186 174.607 175.800 -0.012 0.000 1.135 16 F CA -0.592 57.401 58.000 -0.011 0.000 0.915 16 F CB 1.097 40.093 39.000 -0.006 0.000 1.176 16 F HN 0.378 nan 8.300 nan 0.000 0.440 17 R N 4.482 124.491 120.500 -0.819 0.000 2.628 17 R HA 0.291 4.631 4.340 -0.000 0.000 0.288 17 R C -1.371 174.393 176.300 -0.894 0.000 0.980 17 R CA -0.870 54.774 56.100 -0.760 0.000 0.891 17 R CB 2.143 32.239 30.300 -0.339 0.000 1.188 17 R HN 0.847 nan 8.270 nan 0.000 0.450 18 Q N 3.333 122.708 119.800 -0.709 0.000 2.290 18 Q HA 0.532 4.872 4.340 -0.000 0.000 0.259 18 Q C -1.111 174.724 176.000 -0.275 0.000 0.941 18 Q CA -0.466 55.037 55.803 -0.500 0.000 0.912 18 Q CB 1.027 29.563 28.738 -0.336 0.000 1.244 18 Q HN 0.499 nan 8.270 nan 0.000 0.441 19 L N 3.635 124.725 121.223 -0.222 0.000 2.354 19 L HA 0.617 4.957 4.340 -0.000 0.000 0.269 19 L C -0.970 175.975 176.870 0.125 0.000 1.005 19 L CA -0.970 53.839 54.840 -0.052 0.000 0.819 19 L CB 1.618 43.604 42.059 -0.121 0.000 1.311 19 L HN 0.613 nan 8.230 nan 0.000 0.423 20 F N 1.779 121.707 119.950 -0.037 0.000 2.520 20 F HA 0.445 4.972 4.527 -0.000 0.000 0.322 20 F C -0.205 175.506 175.800 -0.148 0.000 1.103 20 F CA -0.434 57.516 58.000 -0.084 0.000 0.926 20 F CB 1.784 40.764 39.000 -0.034 0.000 1.154 20 F HN 0.368 nan 8.300 nan 0.000 0.453 21 E N 4.809 124.535 120.200 -0.790 0.000 2.102 21 E HA 0.113 4.463 4.350 -0.000 0.000 0.263 21 E C 0.176 176.222 176.600 -0.922 0.000 0.894 21 E CA -0.127 55.889 56.400 -0.641 0.000 0.746 21 E CB 1.083 30.485 29.700 -0.497 0.000 1.129 21 E HN 0.909 nan 8.360 nan 0.000 0.416 22 N N 3.843 122.179 118.700 -0.607 0.000 2.094 22 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 22 N C 1.076 176.427 175.510 -0.265 0.000 1.023 22 N CA 1.792 54.610 53.050 -0.386 0.000 0.857 22 N CB 0.338 38.767 38.487 -0.096 0.000 1.013 22 N HN 0.370 nan 8.380 nan 0.000 0.426 23 E N -0.428 119.644 120.200 -0.212 0.000 2.072 23 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 23 E C 1.754 178.299 176.600 -0.093 0.000 0.985 23 E CA 1.486 57.819 56.400 -0.112 0.000 0.801 23 E CB -0.475 29.178 29.700 -0.080 0.000 0.750 23 E HN 0.625 nan 8.360 nan 0.000 0.452 24 S N -0.796 114.815 115.700 -0.150 0.000 2.539 24 S HA 0.153 4.623 4.470 -0.000 0.000 0.221 24 S C 0.572 175.149 174.600 -0.039 0.000 0.987 24 S CA 0.181 58.357 58.200 -0.040 0.000 0.929 24 S CB 0.367 63.582 63.200 0.025 0.000 0.832 24 S HN -0.017 nan 8.310 nan 0.000 0.492 25 S N 1.083 116.584 115.700 -0.331 0.000 3.641 25 S HA -0.133 4.337 4.470 -0.000 0.000 0.346 25 S C 0.107 174.420 174.600 -0.478 0.000 1.074 25 S CA 0.949 58.855 58.200 -0.491 0.000 1.026 25 S CB -2.391 60.719 63.200 -0.149 0.000 0.908 25 S HN 0.764 nan 8.310 nan 0.000 0.479 26 T N 1.876 116.056 114.554 -0.623 0.000 2.837 26 T HA 0.586 4.935 4.350 -0.000 0.000 0.285 26 T C -0.034 174.319 174.700 -0.577 0.000 0.984 26 T CA -0.121 61.595 62.100 -0.641 0.000 1.049 26 T CB 0.299 68.747 68.868 -0.700 0.000 0.947 26 T HN 0.148 nan 8.240 nan 0.000 0.472 27 F N 2.120 121.907 119.950 -0.273 0.000 2.410 27 F HA 0.379 4.906 4.527 -0.000 0.000 0.349 27 F C 1.147 176.664 175.800 -0.473 0.000 1.117 27 F CA -0.776 57.039 58.000 -0.309 0.000 1.104 27 F CB 1.008 39.864 39.000 -0.240 0.000 1.122 27 F HN 0.381 nan 8.300 nan 0.000 0.483 28 T N 3.575 117.943 114.554 -0.310 0.000 2.829 28 T HA 0.460 4.810 4.350 -0.000 0.000 0.282 28 T C -1.122 173.261 174.700 -0.528 0.000 0.990 28 T CA -0.435 61.473 62.100 -0.319 0.000 1.028 28 T CB 0.535 69.277 68.868 -0.211 0.000 0.951 28 T HN 0.204 nan 8.240 nan 0.000 0.460 29 Y N 1.855 122.111 120.300 -0.073 0.000 2.341 29 Y HA 0.589 5.139 4.550 -0.000 0.000 0.338 29 Y C -0.267 175.515 175.900 -0.196 0.000 0.965 29 Y CA -1.276 56.724 58.100 -0.166 0.000 1.108 29 Y CB 1.323 39.677 38.460 -0.176 0.000 1.180 29 Y HN 0.415 nan 8.280 nan 0.000 0.458 30 L N 5.019 126.182 121.223 -0.100 0.000 2.287 30 L HA 0.681 5.021 4.340 -0.000 0.000 0.287 30 L C -1.763 175.100 176.870 -0.011 0.000 1.022 30 L CA -0.573 54.217 54.840 -0.083 0.000 0.814 30 L CB 0.658 42.645 42.059 -0.120 0.000 1.217 30 L HN 0.519 nan 8.230 nan 0.000 0.420 31 L N 5.399 126.630 121.223 0.014 0.000 2.365 31 L HA 0.947 5.287 4.340 -0.000 0.000 0.273 31 L C -0.442 176.444 176.870 0.027 0.000 1.000 31 L CA -0.151 54.733 54.840 0.073 0.000 0.819 31 L CB 1.879 43.959 42.059 0.035 0.000 1.284 31 L HN 0.794 nan 8.230 nan 0.000 0.418 32 A N 1.111 123.957 122.820 0.043 0.000 2.515 32 A HA 0.645 4.965 4.320 -0.000 0.000 0.298 32 A C -1.608 175.996 177.584 0.033 0.000 1.059 32 A CA -0.517 51.532 52.037 0.019 0.000 0.698 32 A CB 1.509 20.514 19.000 0.008 0.000 1.289 32 A HN 0.565 nan 8.150 nan 0.000 0.404 33 D N 2.064 122.478 120.400 0.024 0.000 2.467 33 D HA 0.304 4.944 4.640 -0.000 0.000 0.220 33 D C 1.037 177.374 176.300 0.063 0.000 1.103 33 D CA 0.005 54.034 54.000 0.047 0.000 0.886 33 D CB 0.969 41.800 40.800 0.052 0.000 1.025 33 D HN 0.546 nan 8.370 nan 0.000 0.514 34 V N 1.863 121.811 119.914 0.057 0.000 3.573 34 V HA 0.010 4.130 4.120 -0.000 0.000 0.270 34 V C 1.596 177.727 176.094 0.061 0.000 1.221 34 V CA 1.077 63.410 62.300 0.054 0.000 1.163 34 V CB -0.663 31.183 31.823 0.039 0.000 0.847 34 V HN 0.458 nan 8.190 nan 0.000 0.468 35 S N -1.038 114.706 115.700 0.073 0.000 2.501 35 S HA -0.014 4.456 4.470 -0.000 0.000 0.220 35 S C 1.071 175.720 174.600 0.081 0.000 0.997 35 S CA -0.009 58.229 58.200 0.064 0.000 0.919 35 S CB -0.661 62.573 63.200 0.057 0.000 0.778 35 S HN 0.786 nan 8.310 nan 0.000 0.523 36 H N 3.256 122.333 119.070 0.011 0.000 2.582 36 H HA 0.274 4.830 4.556 -0.000 0.000 0.345 36 H C -1.777 173.552 175.328 0.001 0.000 1.104 36 H CA -1.464 54.589 56.048 0.007 0.000 1.390 36 H CB 1.693 31.461 29.762 0.009 0.000 1.461 36 H HN 0.051 nan 8.280 nan 0.000 0.551 37 P HA -0.125 nan 4.420 nan 0.000 0.219 37 P C 0.538 177.896 177.300 0.097 0.000 1.146 37 P CA 1.005 64.069 63.100 -0.059 0.000 0.808 37 P CB 0.477 32.085 31.700 -0.154 0.000 0.779 38 D N -0.171 120.432 120.400 0.339 0.000 2.347 38 D HA -0.004 4.635 4.640 -0.000 0.000 0.213 38 D C 0.402 176.767 176.300 0.109 0.000 0.985 38 D CA 0.249 54.372 54.000 0.205 0.000 0.879 38 D CB -0.388 40.520 40.800 0.180 0.000 0.919 38 D HN 0.158 nan 8.370 nan 0.000 0.526 39 K N 0.748 121.231 120.400 0.137 0.000 3.490 39 K HA -0.157 4.163 4.320 -0.000 0.000 0.273 39 K C -2.480 174.113 176.600 -0.011 0.000 0.916 39 K CA 0.117 56.438 56.287 0.056 0.000 0.718 39 K CB -1.191 31.330 32.500 0.035 0.000 1.477 39 K HN 0.298 nan 8.250 nan 0.000 0.452 40 P HA 0.175 nan 4.420 nan 0.000 0.271 40 P C -0.708 176.540 177.300 -0.088 0.000 1.216 40 P CA 0.025 63.042 63.100 -0.138 0.000 0.776 40 P CB 1.492 33.027 31.700 -0.275 0.000 0.881 41 A N 2.886 125.653 122.820 -0.088 0.000 2.527 41 A HA 0.802 5.122 4.320 -0.000 0.000 0.293 41 A C -0.976 176.578 177.584 -0.049 0.000 1.117 41 A CA -0.634 51.371 52.037 -0.053 0.000 0.723 41 A CB 1.172 20.144 19.000 -0.047 0.000 1.313 41 A HN 0.513 nan 8.150 nan 0.000 0.411 42 L N -1.405 119.804 121.223 -0.023 0.000 2.376 42 L HA 0.916 5.256 4.340 -0.000 0.000 0.258 42 L C -1.181 175.664 176.870 -0.041 0.000 1.013 42 L CA -0.646 54.192 54.840 -0.003 0.000 0.822 42 L CB 1.377 43.466 42.059 0.050 0.000 1.388 42 L HN 0.526 nan 8.230 nan 0.000 0.413 43 L N 2.158 123.359 121.223 -0.037 0.000 2.346 43 L HA 0.630 4.970 4.340 -0.000 0.000 0.276 43 L C -0.780 176.057 176.870 -0.055 0.000 1.006 43 L CA -0.472 54.338 54.840 -0.049 0.000 0.817 43 L CB 2.014 44.051 42.059 -0.037 0.000 1.272 43 L HN 0.566 nan 8.230 nan 0.000 0.421 44 I N 2.713 123.256 120.570 -0.044 0.000 2.354 44 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 44 I C -0.588 175.601 176.117 0.120 0.000 0.989 44 I CA -0.519 60.793 61.300 0.020 0.000 1.188 44 I CB 1.443 39.425 38.000 -0.031 0.000 1.342 44 I HN 0.625 nan 8.210 nan 0.000 0.457 45 D N 4.408 124.912 120.400 0.175 0.000 2.705 45 D HA -0.112 4.528 4.640 -0.000 0.000 0.240 45 D C -2.295 173.993 176.300 -0.019 0.000 1.137 45 D CA 0.295 54.386 54.000 0.153 0.000 0.677 45 D CB -0.921 39.996 40.800 0.195 0.000 1.049 45 D HN 0.290 nan 8.370 nan 0.000 0.427 46 P HA 0.202 nan 4.420 nan 0.000 0.275 46 P C 0.004 177.260 177.300 -0.073 0.000 1.228 46 P CA -0.401 62.662 63.100 -0.063 0.000 0.786 46 P CB 1.300 32.985 31.700 -0.024 0.000 0.927 47 V N 3.154 122.980 119.914 -0.147 0.000 2.581 47 V HA 0.104 4.224 4.120 -0.000 0.000 0.303 47 V C 1.638 177.695 176.094 -0.061 0.000 1.041 47 V CA -0.348 61.865 62.300 -0.145 0.000 0.907 47 V CB 1.447 33.061 31.823 -0.347 0.000 0.994 47 V HN 0.638 nan 8.190 nan 0.000 0.442 48 D N 3.385 123.786 120.400 0.002 0.000 2.133 48 D HA -0.244 4.396 4.640 -0.000 0.000 0.195 48 D C 1.441 177.723 176.300 -0.029 0.000 0.997 48 D CA 1.580 55.578 54.000 -0.004 0.000 0.840 48 D CB 0.036 40.847 40.800 0.018 0.000 0.947 48 D HN 0.611 nan 8.370 nan 0.000 0.452 49 K N -0.357 120.016 120.400 -0.046 0.000 2.209 49 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 49 K C 1.485 178.045 176.600 -0.066 0.000 1.048 49 K CA 1.614 57.868 56.287 -0.055 0.000 0.940 49 K CB -0.151 32.307 32.500 -0.070 0.000 0.729 49 K HN 0.430 nan 8.250 nan 0.000 0.451 50 T N -2.257 112.247 114.554 -0.083 0.000 3.174 50 T HA 0.165 4.515 4.350 -0.000 0.000 0.269 50 T C 1.532 176.191 174.700 -0.068 0.000 1.017 50 T CA -0.359 61.691 62.100 -0.084 0.000 0.899 50 T CB 0.283 69.081 68.868 -0.117 0.000 1.077 50 T HN -0.192 nan 8.240 nan 0.000 0.552 51 V N 2.192 122.074 119.914 -0.054 0.000 2.332 51 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 51 V C 2.459 178.530 176.094 -0.039 0.000 1.055 51 V CA 2.053 64.328 62.300 -0.042 0.000 1.038 51 V CB -0.462 31.344 31.823 -0.029 0.000 0.651 51 V HN 0.462 nan 8.190 nan 0.000 0.450 52 D N -0.498 119.880 120.400 -0.036 0.000 2.117 52 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 52 D C 2.289 178.568 176.300 -0.035 0.000 0.987 52 D CA 1.228 55.209 54.000 -0.031 0.000 0.829 52 D CB -0.298 40.486 40.800 -0.027 0.000 0.961 52 D HN 0.350 nan 8.370 nan 0.000 0.460 53 R N 0.769 121.244 120.500 -0.040 0.000 2.073 53 R HA -0.149 4.190 4.340 -0.000 0.000 0.234 53 R C 1.268 177.540 176.300 -0.046 0.000 1.134 53 R CA 1.636 57.710 56.100 -0.042 0.000 0.952 53 R CB 0.003 30.274 30.300 -0.048 0.000 0.850 53 R HN 0.026 nan 8.270 nan 0.000 0.433 54 D N 0.720 121.088 120.400 -0.054 0.000 2.117 54 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 54 D C 2.055 178.327 176.300 -0.048 0.000 0.987 54 D CA 1.061 55.027 54.000 -0.057 0.000 0.829 54 D CB -0.224 40.537 40.800 -0.064 0.000 0.961 54 D HN 0.289 nan 8.370 nan 0.000 0.460 55 L N 0.537 121.735 121.223 -0.041 0.000 2.083 55 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 55 L C 2.467 179.317 176.870 -0.032 0.000 1.083 55 L CA 1.028 55.847 54.840 -0.035 0.000 0.752 55 L CB -0.330 41.710 42.059 -0.030 0.000 0.899 55 L HN 0.010 nan 8.230 nan 0.000 0.433 56 K N 0.435 120.817 120.400 -0.031 0.000 2.097 56 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 56 K C 2.174 178.757 176.600 -0.029 0.000 1.049 56 K CA 1.284 57.554 56.287 -0.028 0.000 0.933 56 K CB -0.034 32.451 32.500 -0.026 0.000 0.717 56 K HN 0.091 nan 8.250 nan 0.000 0.442 57 L N 1.455 122.657 121.223 -0.035 0.000 2.056 57 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 57 L C 1.955 178.804 176.870 -0.036 0.000 1.078 57 L CA 1.395 56.213 54.840 -0.037 0.000 0.749 57 L CB -0.229 41.801 42.059 -0.048 0.000 0.901 57 L HN 0.213 nan 8.230 nan 0.000 0.433 58 I N -0.315 120.233 120.570 -0.038 0.000 2.226 58 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 58 I C 2.179 178.279 176.117 -0.028 0.000 1.100 58 I CA 1.765 63.044 61.300 -0.035 0.000 1.374 58 I CB -0.330 37.647 38.000 -0.039 0.000 1.057 58 I HN 0.382 nan 8.210 nan 0.000 0.413 59 D N 0.769 121.153 120.400 -0.026 0.000 2.097 59 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 59 D C 2.080 178.369 176.300 -0.018 0.000 0.989 59 D CA 1.505 55.492 54.000 -0.021 0.000 0.827 59 D CB 0.040 40.828 40.800 -0.020 0.000 0.966 59 D HN 0.286 nan 8.370 nan 0.000 0.456 60 E N -0.460 119.729 120.200 -0.019 0.000 2.085 60 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 60 E C 2.051 178.643 176.600 -0.014 0.000 0.994 60 E CA 0.724 57.115 56.400 -0.016 0.000 0.801 60 E CB -0.085 29.604 29.700 -0.018 0.000 0.743 60 E HN 0.417 nan 8.360 nan 0.000 0.453 61 L N -0.429 120.784 121.223 -0.017 0.000 2.599 61 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 61 L C 1.195 178.060 176.870 -0.009 0.000 1.141 61 L CA 0.267 55.099 54.840 -0.013 0.000 0.877 61 L CB -0.099 41.950 42.059 -0.017 0.000 1.009 61 L HN 0.250 nan 8.230 nan 0.000 0.447 62 G N 1.094 109.887 108.800 -0.011 0.000 2.225 62 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 62 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 62 G C 0.020 174.916 174.900 -0.007 0.000 1.060 62 G CA -0.031 45.064 45.100 -0.007 0.000 0.833 62 G HN 0.247 nan 8.290 nan 0.000 0.498 63 L N -0.971 120.243 121.223 -0.014 0.000 2.375 63 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 63 L C 0.758 177.611 176.870 -0.028 0.000 1.058 63 L CA -0.926 53.903 54.840 -0.018 0.000 0.803 63 L CB 1.476 43.520 42.059 -0.025 0.000 1.212 63 L HN 0.116 nan 8.230 nan 0.000 0.451 64 K N 2.333 122.710 120.400 -0.038 0.000 2.389 64 K HA 0.326 4.646 4.320 -0.000 0.000 0.261 64 K C -1.050 175.499 176.600 -0.085 0.000 1.014 64 K CA -0.817 55.437 56.287 -0.056 0.000 0.920 64 K CB 1.134 33.602 32.500 -0.054 0.000 1.149 64 K HN 0.354 nan 8.250 nan 0.000 0.444 65 L N 6.582 127.757 121.223 -0.081 0.000 2.418 65 L HA 0.070 4.410 4.340 -0.000 0.000 0.274 65 L C 0.585 177.365 176.870 -0.150 0.000 1.135 65 L CA 0.334 55.117 54.840 -0.095 0.000 0.870 65 L CB 0.465 42.483 42.059 -0.069 0.000 1.154 65 L HN 0.735 nan 8.230 nan 0.000 0.462 66 I N 4.626 125.060 120.570 -0.226 0.000 2.899 66 I HA 0.097 4.267 4.170 -0.000 0.000 0.257 66 I C -0.133 175.684 176.117 -0.499 0.000 1.115 66 I CA 0.495 61.527 61.300 -0.446 0.000 1.451 66 I CB -0.707 36.884 38.000 -0.682 0.000 1.251 66 I HN 0.395 nan 8.210 nan 0.000 0.456 67 Y N 0.617 120.876 120.300 -0.068 0.000 2.462 67 Y HA 0.710 5.260 4.550 -0.000 0.000 0.346 67 Y C 0.038 175.895 175.900 -0.073 0.000 0.976 67 Y CA -1.766 56.291 58.100 -0.073 0.000 1.044 67 Y CB 1.623 40.029 38.460 -0.090 0.000 1.230 67 Y HN 0.000 nan 8.280 nan 0.000 0.455 68 A N 4.847 127.739 122.820 0.119 0.000 2.310 68 A HA 0.811 5.131 4.320 -0.000 0.000 0.304 68 A C -0.848 176.765 177.584 0.049 0.000 1.231 68 A CA -0.662 51.406 52.037 0.052 0.000 0.799 68 A CB 0.204 19.224 19.000 0.033 0.000 1.162 68 A HN 0.746 nan 8.150 nan 0.000 0.486 69 M N 1.682 121.294 119.600 0.020 0.000 2.598 69 M HA 0.418 4.898 4.480 -0.000 0.000 0.317 69 M C -0.705 175.674 176.300 0.132 0.000 1.179 69 M CA -0.476 54.833 55.300 0.016 0.000 0.936 69 M CB 2.199 34.687 32.600 -0.186 0.000 1.713 69 M HN 0.731 nan 8.290 nan 0.000 0.460 70 N N -0.421 118.416 118.700 0.228 0.000 2.269 70 N HA 0.330 5.070 4.740 -0.000 0.000 0.304 70 N C 0.636 176.397 175.510 0.418 0.000 1.072 70 N CA -0.351 52.891 53.050 0.321 0.000 0.802 70 N CB 2.102 40.722 38.487 0.223 0.000 1.348 70 N HN 0.710 nan 8.380 nan 0.000 0.484 71 T N -2.133 112.701 114.554 0.468 0.000 2.951 71 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 71 T C 0.499 175.369 174.700 0.283 0.000 1.073 71 T CA 1.121 63.448 62.100 0.378 0.000 1.134 71 T CB -0.433 68.712 68.868 0.462 0.000 0.884 71 T HN 0.737 nan 8.240 nan 0.000 0.479 72 H N -2.031 117.020 119.070 -0.031 0.000 2.887 72 H HA 0.431 4.987 4.556 -0.000 0.000 0.290 72 H C -1.755 173.401 175.328 -0.288 0.000 1.429 72 H CA -1.109 54.872 56.048 -0.111 0.000 1.137 72 H CB 0.940 30.679 29.762 -0.039 0.000 1.824 72 H HN -0.035 nan 8.280 nan 0.000 0.520 73 V N 3.193 122.993 119.914 -0.189 0.000 2.439 73 V HA 0.102 4.222 4.120 -0.000 0.000 0.271 73 V C 0.480 176.301 176.094 -0.455 0.000 1.040 73 V CA -0.113 62.032 62.300 -0.258 0.000 1.002 73 V CB -0.263 31.523 31.823 -0.062 0.000 1.000 73 V HN 0.555 nan 8.190 nan 0.000 0.477 74 H N 3.865 122.743 119.070 -0.320 0.000 2.582 74 H HA 0.341 4.897 4.556 -0.000 0.000 0.345 74 H C 0.756 175.960 175.328 -0.205 0.000 1.104 74 H CA 0.185 56.010 56.048 -0.372 0.000 1.390 74 H CB 1.736 31.101 29.762 -0.662 0.000 1.461 74 H HN 0.684 nan 8.280 nan 0.000 0.551 75 A N 2.168 125.005 122.820 0.028 0.000 2.220 75 A HA -0.047 4.273 4.320 -0.000 0.000 0.211 75 A C 1.346 178.911 177.584 -0.033 0.000 1.176 75 A CA 0.516 52.538 52.037 -0.025 0.000 0.834 75 A CB 0.214 19.185 19.000 -0.047 0.000 0.868 75 A HN 0.780 nan 8.150 nan 0.000 0.488 76 D N -1.181 119.225 120.400 0.011 0.000 2.449 76 D HA 0.031 4.670 4.640 -0.000 0.000 0.210 76 D C 0.332 176.701 176.300 0.115 0.000 1.094 76 D CA 0.308 54.343 54.000 0.057 0.000 0.846 76 D CB -0.146 40.724 40.800 0.117 0.000 1.003 76 D HN 0.644 nan 8.370 nan 0.000 0.504 77 H N -1.598 117.502 119.070 0.050 0.000 3.014 77 H HA 0.462 5.018 4.556 -0.000 0.000 0.337 77 H C -1.625 173.712 175.328 0.015 0.000 1.320 77 H CA -0.851 55.199 56.048 0.003 0.000 1.128 77 H CB 1.292 31.025 29.762 -0.048 0.000 1.862 77 H HN -0.239 nan 8.280 nan 0.000 0.536 78 V N 1.627 121.601 119.914 0.100 0.000 2.439 78 V HA 0.130 4.250 4.120 -0.000 0.000 0.282 78 V C 1.137 177.327 176.094 0.160 0.000 1.039 78 V CA -0.342 61.992 62.300 0.056 0.000 0.913 78 V CB 1.188 33.039 31.823 0.047 0.000 0.983 78 V HN 0.895 nan 8.190 nan 0.000 0.460 79 T N 3.652 118.270 114.554 0.106 0.000 2.946 79 T HA 0.143 4.493 4.350 -0.000 0.000 0.311 79 T C 1.265 176.021 174.700 0.094 0.000 1.063 79 T CA 0.566 62.754 62.100 0.146 0.000 1.139 79 T CB 0.795 69.737 68.868 0.124 0.000 0.994 79 T HN 0.977 nan 8.240 nan 0.000 0.547 80 G N 2.173 111.016 108.800 0.071 0.000 2.985 80 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.209 80 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.209 80 G C 1.539 176.454 174.900 0.026 0.000 1.165 80 G CA 0.591 45.708 45.100 0.028 0.000 0.776 80 G HN 0.899 nan 8.290 nan 0.000 0.541 81 T N -1.146 113.434 114.554 0.043 0.000 2.720 81 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 81 T C 2.445 177.158 174.700 0.022 0.000 1.037 81 T CA 1.701 63.822 62.100 0.035 0.000 1.144 81 T CB -0.605 68.291 68.868 0.048 0.000 0.864 81 T HN 0.151 nan 8.240 nan 0.000 0.444 82 G N 1.337 110.151 108.800 0.024 0.000 2.402 82 G HA2 0.001 3.960 3.960 -0.000 0.000 0.216 82 G HA3 0.001 3.960 3.960 -0.000 0.000 0.216 82 G C 1.574 176.479 174.900 0.009 0.000 1.162 82 G CA 0.615 45.725 45.100 0.016 0.000 0.777 82 G HN 0.509 nan 8.290 nan 0.000 0.539 83 L N -0.117 121.111 121.223 0.008 0.000 2.083 83 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 83 L C 2.893 179.760 176.870 -0.004 0.000 1.083 83 L CA 0.484 55.325 54.840 0.001 0.000 0.752 83 L CB -0.300 41.759 42.059 -0.001 0.000 0.899 83 L HN 0.186 nan 8.230 nan 0.000 0.433 84 L N -0.476 120.745 121.223 -0.004 0.000 2.046 84 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 84 L C 2.573 179.436 176.870 -0.012 0.000 1.077 84 L CA 1.431 56.265 54.840 -0.011 0.000 0.747 84 L CB -0.401 41.652 42.059 -0.010 0.000 0.896 84 L HN 0.188 nan 8.230 nan 0.000 0.432 85 K N -0.811 119.585 120.400 -0.007 0.000 2.097 85 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 85 K C 2.059 178.653 176.600 -0.010 0.000 1.050 85 K CA 1.669 57.950 56.287 -0.009 0.000 0.938 85 K CB -0.208 32.289 32.500 -0.004 0.000 0.718 85 K HN 0.273 nan 8.250 nan 0.000 0.442 86 T N 1.257 115.807 114.554 -0.007 0.000 2.708 86 T HA -0.113 4.236 4.350 -0.000 0.000 0.266 86 T C 1.625 176.319 174.700 -0.010 0.000 1.037 86 T CA 1.294 63.390 62.100 -0.007 0.000 1.146 86 T CB -0.037 68.829 68.868 -0.004 0.000 0.865 86 T HN 0.219 nan 8.240 nan 0.000 0.435 87 K N 0.239 120.632 120.400 -0.012 0.000 2.228 87 K HA 0.179 4.499 4.320 -0.000 0.000 0.202 87 K C 0.511 177.100 176.600 -0.018 0.000 1.051 87 K CA 0.638 56.916 56.287 -0.014 0.000 0.960 87 K CB 0.176 32.667 32.500 -0.016 0.000 0.743 87 K HN 0.257 nan 8.250 nan 0.000 0.458 88 L N 2.227 123.438 121.223 -0.020 0.000 2.495 88 L HA 0.301 4.641 4.340 -0.000 0.000 0.248 88 L C -2.635 174.219 176.870 -0.027 0.000 1.229 88 L CA -2.089 52.736 54.840 -0.026 0.000 0.942 88 L CB 1.390 43.430 42.059 -0.032 0.000 1.242 88 L HN -0.210 nan 8.230 nan 0.000 0.484 89 P HA 0.120 nan 4.420 nan 0.000 0.264 89 P C 0.890 178.172 177.300 -0.030 0.000 1.193 89 P CA 0.807 63.894 63.100 -0.022 0.000 0.763 89 P CB 0.999 32.689 31.700 -0.017 0.000 0.810 90 G N 1.159 109.939 108.800 -0.032 0.000 2.307 90 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.210 90 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.210 90 G C 0.070 174.933 174.900 -0.061 0.000 1.005 90 G CA -0.281 44.792 45.100 -0.044 0.000 0.634 90 G HN 0.531 nan 8.290 nan 0.000 0.496 91 V N 2.061 121.940 119.914 -0.058 0.000 2.673 91 V HA 0.344 4.464 4.120 -0.000 0.000 0.303 91 V C 0.655 176.732 176.094 -0.029 0.000 1.046 91 V CA 0.662 62.924 62.300 -0.063 0.000 1.126 91 V CB 1.257 33.054 31.823 -0.044 0.000 0.934 91 V HN 0.367 nan 8.190 nan 0.000 0.487 92 K N 3.041 123.442 120.400 0.000 0.000 2.244 92 K HA 0.475 4.795 4.320 -0.000 0.000 0.260 92 K C -0.062 176.594 176.600 0.093 0.000 0.951 92 K CA -0.323 56.001 56.287 0.061 0.000 0.826 92 K CB 1.673 34.255 32.500 0.137 0.000 1.108 92 K HN 0.824 nan 8.250 nan 0.000 0.433 93 S N 0.727 116.444 115.700 0.028 0.000 2.584 93 S HA 0.491 4.961 4.470 -0.000 0.000 0.273 93 S C -0.024 174.559 174.600 -0.027 0.000 1.311 93 S CA -0.746 57.463 58.200 0.015 0.000 1.034 93 S CB 1.008 64.206 63.200 -0.003 0.000 0.939 93 S HN 0.240 nan 8.310 nan 0.000 0.513 94 V N 3.305 123.209 119.914 -0.016 0.000 2.760 94 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 94 V C -0.357 175.766 176.094 0.049 0.000 1.077 94 V CA -0.643 61.630 62.300 -0.046 0.000 0.910 94 V CB 1.413 33.173 31.823 -0.104 0.000 1.008 94 V HN 1.044 nan 8.190 nan 0.000 0.424 95 I N 2.080 122.705 120.570 0.091 0.000 3.066 95 I HA 0.481 4.651 4.170 -0.000 0.000 0.307 95 I C 0.082 176.369 176.117 0.282 0.000 1.366 95 I CA -0.366 61.056 61.300 0.204 0.000 0.972 95 I CB 2.730 40.849 38.000 0.198 0.000 1.307 95 I HN 0.813 nan 8.210 nan 0.000 0.470 96 S N 3.055 118.890 115.700 0.224 0.000 2.572 96 S HA 0.102 4.572 4.470 -0.000 0.000 0.279 96 S C 0.814 175.532 174.600 0.197 0.000 1.341 96 S CA -0.156 58.153 58.200 0.181 0.000 1.043 96 S CB 1.487 64.736 63.200 0.082 0.000 0.887 96 S HN 0.719 nan 8.310 nan 0.000 0.516 97 K N 2.676 123.145 120.400 0.115 0.000 2.103 97 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 97 K C 2.073 178.586 176.600 -0.146 0.000 1.048 97 K CA 1.712 57.914 56.287 -0.142 0.000 0.930 97 K CB -1.047 31.391 32.500 -0.103 0.000 0.716 97 K HN 0.833 nan 8.250 nan 0.000 0.444 98 A N 0.177 122.968 122.820 -0.048 0.000 2.125 98 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 98 A C 2.035 179.602 177.584 -0.029 0.000 1.156 98 A CA 1.752 53.764 52.037 -0.041 0.000 0.671 98 A CB -0.849 18.140 19.000 -0.018 0.000 0.794 98 A HN 0.547 nan 8.150 nan 0.000 0.459 99 S N -1.436 114.262 115.700 -0.004 0.000 2.453 99 S HA 0.256 4.726 4.470 -0.000 0.000 0.231 99 S C 1.645 176.243 174.600 -0.003 0.000 1.005 99 S CA 1.244 59.456 58.200 0.020 0.000 0.949 99 S CB -0.680 62.562 63.200 0.070 0.000 0.774 99 S HN 1.901 nan 8.310 nan 0.000 0.510 100 G N 0.711 109.479 108.800 -0.055 0.000 2.155 100 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 100 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 100 G C 0.128 175.026 174.900 -0.004 0.000 0.983 100 G CA 0.570 45.630 45.100 -0.066 0.000 0.676 100 G HN 1.029 nan 8.290 nan 0.000 0.528 101 S N -0.576 115.167 115.700 0.070 0.000 2.687 101 S HA 0.647 5.117 4.470 -0.000 0.000 0.283 101 S C 0.598 175.371 174.600 0.288 0.000 1.170 101 S CA -0.471 57.814 58.200 0.141 0.000 1.008 101 S CB 0.775 64.056 63.200 0.135 0.000 1.026 101 S HN 0.354 nan 8.310 nan 0.000 0.541 102 K N 1.487 122.023 120.400 0.228 0.000 2.270 102 K HA 0.639 4.959 4.320 -0.000 0.000 0.276 102 K C -0.351 176.338 176.600 0.149 0.000 1.023 102 K CA -0.247 56.191 56.287 0.252 0.000 0.955 102 K CB 1.188 33.767 32.500 0.133 0.000 0.975 102 K HN 0.669 nan 8.250 nan 0.000 0.471 103 A N 1.768 124.556 122.820 -0.053 0.000 2.601 103 A HA 0.209 4.529 4.320 -0.000 0.000 0.291 103 A C -0.354 176.983 177.584 -0.411 0.000 1.075 103 A CA -0.759 51.121 52.037 -0.262 0.000 0.671 103 A CB 0.944 19.754 19.000 -0.318 0.000 1.277 103 A HN 0.695 nan 8.150 nan 0.000 0.417 104 D N -0.626 119.621 120.400 -0.256 0.000 2.178 104 D HA 0.023 4.663 4.640 -0.000 0.000 0.202 104 D C 0.130 176.258 176.300 -0.287 0.000 0.974 104 D CA 1.730 55.608 54.000 -0.203 0.000 0.841 104 D CB 0.147 40.899 40.800 -0.079 0.000 0.953 104 D HN 0.293 nan 8.370 nan 0.000 0.478 105 L N 0.110 121.104 121.223 -0.380 0.000 2.438 105 L HA 0.357 4.697 4.340 -0.000 0.000 0.270 105 L C -1.626 174.988 176.870 -0.427 0.000 0.972 105 L CA -0.661 53.996 54.840 -0.305 0.000 0.831 105 L CB 1.636 43.618 42.059 -0.128 0.000 1.273 105 L HN -0.349 nan 8.230 nan 0.000 0.405 106 F N 4.862 124.827 119.950 0.025 0.000 2.422 106 F HA 0.640 5.167 4.527 -0.000 0.000 0.333 106 F C -0.189 175.625 175.800 0.024 0.000 1.095 106 F CA -0.619 57.397 58.000 0.027 0.000 1.038 106 F CB 1.447 40.462 39.000 0.025 0.000 1.156 106 F HN 0.233 nan 8.300 nan 0.000 0.483 107 L N 3.056 124.428 121.223 0.249 0.000 2.329 107 L HA 0.516 4.856 4.340 -0.000 0.000 0.279 107 L C -0.178 176.763 176.870 0.118 0.000 1.014 107 L CA -0.841 54.090 54.840 0.151 0.000 0.814 107 L CB 1.407 43.553 42.059 0.147 0.000 1.257 107 L HN 0.475 nan 8.230 nan 0.000 0.424 108 E N 2.378 122.627 120.200 0.082 0.000 2.222 108 E HA 0.417 4.767 4.350 -0.000 0.000 0.267 108 E C -2.449 174.175 176.600 0.039 0.000 0.963 108 E CA -2.121 54.309 56.400 0.050 0.000 0.837 108 E CB 1.352 31.077 29.700 0.042 0.000 1.183 108 E HN 0.234 nan 8.360 nan 0.000 0.403 109 P HA 0.021 nan 4.420 nan 0.000 0.264 109 P C 0.737 178.053 177.300 0.026 0.000 1.193 109 P CA 0.925 64.033 63.100 0.015 0.000 0.763 109 P CB 0.319 32.022 31.700 0.004 0.000 0.810 110 G N 1.959 110.779 108.800 0.034 0.000 2.225 110 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 110 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 110 G C 0.115 175.050 174.900 0.059 0.000 0.988 110 G CA -0.168 44.958 45.100 0.044 0.000 0.625 110 G HN 0.501 nan 8.290 nan 0.000 0.527 111 D N 1.249 121.685 120.400 0.061 0.000 2.378 111 D HA 0.466 5.106 4.640 -0.000 0.000 0.238 111 D C 0.707 177.066 176.300 0.098 0.000 1.180 111 D CA 0.481 54.522 54.000 0.068 0.000 0.895 111 D CB 0.565 41.405 40.800 0.067 0.000 1.192 111 D HN 0.173 nan 8.370 nan 0.000 0.438 112 K N 0.340 120.793 120.400 0.088 0.000 2.259 112 K HA 0.599 4.918 4.320 -0.000 0.000 0.249 112 K C -0.811 175.837 176.600 0.080 0.000 0.942 112 K CA -0.941 55.426 56.287 0.133 0.000 0.816 112 K CB 2.122 34.683 32.500 0.102 0.000 1.155 112 K HN 0.089 nan 8.250 nan 0.000 0.428 113 V N 1.339 121.309 119.914 0.093 0.000 2.588 113 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 113 V C -0.383 175.769 176.094 0.095 0.000 1.042 113 V CA -0.727 61.560 62.300 -0.021 0.000 0.877 113 V CB 1.849 33.565 31.823 -0.178 0.000 0.996 113 V HN 0.940 nan 8.190 nan 0.000 0.425 114 S N 5.290 121.071 115.700 0.135 0.000 2.542 114 S HA 0.888 5.358 4.470 -0.000 0.000 0.293 114 S C -0.858 173.853 174.600 0.184 0.000 1.089 114 S CA -0.751 57.552 58.200 0.172 0.000 0.961 114 S CB 1.935 65.212 63.200 0.128 0.000 1.062 114 S HN 0.802 nan 8.310 nan 0.000 0.483 115 I N -0.004 120.633 120.570 0.111 0.000 2.497 115 I HA 0.769 4.939 4.170 -0.000 0.000 0.284 115 I C 0.723 176.818 176.117 -0.036 0.000 1.060 115 I CA -0.566 60.742 61.300 0.013 0.000 1.071 115 I CB 0.915 38.919 38.000 0.008 0.000 1.216 115 I HN 1.103 nan 8.210 nan 0.000 0.442 116 G N 5.357 114.072 108.800 -0.142 0.000 2.622 116 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.307 116 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.307 116 G C 0.323 175.270 174.900 0.078 0.000 1.226 116 G CA 0.973 46.041 45.100 -0.053 0.000 0.997 116 G HN 0.709 nan 8.290 nan 0.000 0.551 117 D N 0.743 121.209 120.400 0.110 0.000 2.349 117 D HA 0.229 4.869 4.640 -0.000 0.000 0.215 117 D C 1.240 177.630 176.300 0.150 0.000 1.016 117 D CA 0.270 54.342 54.000 0.119 0.000 0.870 117 D CB 0.105 40.969 40.800 0.107 0.000 0.917 117 D HN 0.450 nan 8.370 nan 0.000 0.524 118 I N 1.091 121.738 120.570 0.127 0.000 2.396 118 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 118 I C -0.329 175.910 176.117 0.204 0.000 0.999 118 I CA -0.909 60.469 61.300 0.129 0.000 1.310 118 I CB 0.757 38.795 38.000 0.064 0.000 1.404 118 I HN -0.087 nan 8.210 nan 0.000 0.496 119 Y N 4.943 125.263 120.300 0.033 0.000 2.581 119 Y HA 0.832 5.382 4.550 -0.000 0.000 0.345 119 Y C -1.784 174.142 175.900 0.043 0.000 1.036 119 Y CA -1.370 56.750 58.100 0.034 0.000 1.042 119 Y CB 1.201 39.681 38.460 0.033 0.000 1.289 119 Y HN 0.279 nan 8.280 nan 0.000 0.471 120 L N 2.739 124.008 121.223 0.077 0.000 2.346 120 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 120 L C -0.416 176.560 176.870 0.176 0.000 1.007 120 L CA -0.933 53.929 54.840 0.036 0.000 0.818 120 L CB 2.094 44.203 42.059 0.082 0.000 1.284 120 L HN 0.793 nan 8.230 nan 0.000 0.424 121 E N 1.843 122.121 120.200 0.130 0.000 2.266 121 E HA 0.402 4.752 4.350 -0.000 0.000 0.277 121 E C -1.382 175.318 176.600 0.166 0.000 1.018 121 E CA -0.691 55.811 56.400 0.169 0.000 0.840 121 E CB 1.759 31.529 29.700 0.117 0.000 1.082 121 E HN 0.334 nan 8.360 nan 0.000 0.395 122 V N 5.693 125.691 119.914 0.140 0.000 2.364 122 V HA 0.334 4.454 4.120 -0.000 0.000 0.272 122 V C 0.098 176.197 176.094 0.009 0.000 1.036 122 V CA -0.459 61.886 62.300 0.074 0.000 0.880 122 V CB 0.861 32.739 31.823 0.091 0.000 0.991 122 V HN 0.644 nan 8.190 nan 0.000 0.460 123 R N 3.346 123.819 120.500 -0.044 0.000 2.393 123 R HA 0.697 5.036 4.340 -0.000 0.000 0.310 123 R C -0.028 176.226 176.300 -0.077 0.000 0.968 123 R CA -0.522 55.549 56.100 -0.048 0.000 0.867 123 R CB 1.893 32.163 30.300 -0.049 0.000 1.124 123 R HN 0.778 nan 8.270 nan 0.000 0.450 124 A N 1.893 124.681 122.820 -0.053 0.000 2.451 124 A HA 0.195 4.515 4.320 -0.000 0.000 0.266 124 A C 0.517 178.065 177.584 -0.060 0.000 1.119 124 A CA -0.098 51.907 52.037 -0.052 0.000 0.786 124 A CB 0.014 18.997 19.000 -0.030 0.000 1.061 124 A HN 0.788 nan 8.150 nan 0.000 0.503 125 T N 1.320 115.832 114.554 -0.069 0.000 3.624 125 T HA 0.432 4.782 4.350 -0.000 0.000 0.244 125 T C -2.532 172.140 174.700 -0.048 0.000 1.063 125 T CA -1.292 60.764 62.100 -0.073 0.000 1.252 125 T CB 0.276 69.084 68.868 -0.101 0.000 1.021 125 T HN 0.477 nan 8.240 nan 0.000 0.590 126 P HA 0.538 nan 4.420 nan 0.000 0.272 126 P C 0.859 178.171 177.300 0.020 0.000 1.240 126 P CA 0.548 63.647 63.100 -0.001 0.000 0.791 126 P CB 1.173 32.873 31.700 0.001 0.000 0.978 127 G N 0.234 109.062 108.800 0.047 0.000 4.172 127 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.204 127 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.204 127 G C 1.131 176.106 174.900 0.126 0.000 1.256 127 G CA 0.476 45.628 45.100 0.088 0.000 0.886 127 G HN 0.614 nan 8.290 nan 0.000 0.344 128 H N 1.967 121.049 119.070 0.021 0.000 2.321 128 H HA 0.205 4.761 4.556 -0.000 0.000 0.300 128 H C 1.498 176.848 175.328 0.037 0.000 1.087 128 H CA 3.108 59.170 56.048 0.024 0.000 1.319 128 H CB -0.015 29.717 29.762 -0.049 0.000 1.379 128 H HN 0.720 nan 8.280 nan 0.000 0.501 129 T N -4.402 110.120 114.554 -0.055 0.000 2.865 129 T HA 0.620 4.970 4.350 -0.000 0.000 0.294 129 T C 1.156 175.853 174.700 -0.005 0.000 1.119 129 T CA -0.448 61.612 62.100 -0.066 0.000 1.007 129 T CB 1.267 70.111 68.868 -0.040 0.000 1.225 129 T HN 0.228 nan 8.240 nan 0.000 0.515 130 A N 0.098 122.916 122.820 -0.004 0.000 2.125 130 A HA 0.303 4.623 4.320 -0.000 0.000 0.219 130 A C 1.966 179.553 177.584 0.005 0.000 1.156 130 A CA 1.426 53.464 52.037 0.000 0.000 0.671 130 A CB -1.122 17.874 19.000 -0.005 0.000 0.794 130 A HN 1.248 nan 8.150 nan 0.000 0.459 131 G N -1.868 106.943 108.800 0.019 0.000 3.277 131 G HA2 0.296 4.256 3.960 -0.000 0.000 0.243 131 G HA3 0.296 4.256 3.960 -0.000 0.000 0.243 131 G C 0.217 175.142 174.900 0.041 0.000 1.107 131 G CA 0.018 45.136 45.100 0.030 0.000 0.771 131 G HN 0.378 nan 8.290 nan 0.000 0.544 132 C N 1.328 120.646 119.300 0.029 0.000 2.653 132 C HA 0.497 4.957 4.460 -0.000 0.000 0.421 132 C C 0.885 175.850 174.990 -0.041 0.000 1.334 132 C CA -0.763 58.261 59.018 0.010 0.000 1.885 132 C CB -0.203 27.513 27.740 -0.040 0.000 2.645 132 C HN 0.394 nan 8.230 nan 0.000 0.601 133 V N 1.512 121.370 119.914 -0.092 0.000 3.074 133 V HA 0.823 4.943 4.120 -0.000 0.000 0.314 133 V C -0.318 175.612 176.094 -0.273 0.000 1.117 133 V CA -0.294 61.883 62.300 -0.205 0.000 1.014 133 V CB 1.952 33.589 31.823 -0.310 0.000 1.057 133 V HN 0.753 nan 8.190 nan 0.000 0.438 134 T N 2.132 116.528 114.554 -0.264 0.000 2.792 134 T HA 0.636 4.986 4.350 -0.000 0.000 0.280 134 T C -1.311 173.272 174.700 -0.195 0.000 0.990 134 T CA 0.048 62.042 62.100 -0.176 0.000 0.960 134 T CB 0.803 69.618 68.868 -0.088 0.000 0.939 134 T HN 0.594 nan 8.240 nan 0.000 0.439 135 Y N 2.012 122.403 120.300 0.152 0.000 2.350 135 Y HA 0.506 5.056 4.550 -0.000 0.000 0.340 135 Y C 0.167 176.175 175.900 0.181 0.000 1.006 135 Y CA -0.891 57.308 58.100 0.165 0.000 1.166 135 Y CB 0.794 39.370 38.460 0.194 0.000 1.168 135 Y HN 0.265 nan 8.280 nan 0.000 0.502 136 V N 3.156 123.199 119.914 0.216 0.000 2.448 136 V HA 0.314 4.434 4.120 -0.000 0.000 0.295 136 V C 0.028 176.137 176.094 0.025 0.000 1.025 136 V CA -1.303 61.041 62.300 0.074 0.000 0.859 136 V CB 1.688 33.508 31.823 -0.005 0.000 0.988 136 V HN 0.878 nan 8.190 nan 0.000 0.431 137 T N 2.289 116.834 114.554 -0.014 0.000 2.937 137 T HA 0.329 4.679 4.350 -0.000 0.000 0.316 137 T C 0.757 175.294 174.700 -0.271 0.000 1.079 137 T CA 0.174 62.200 62.100 -0.124 0.000 1.131 137 T CB 0.812 69.621 68.868 -0.098 0.000 1.000 137 T HN 1.026 nan 8.240 nan 0.000 0.549 138 G N 1.305 109.751 108.800 -0.591 0.000 2.634 138 G HA2 0.375 4.335 3.960 -0.000 0.000 0.255 138 G HA3 0.375 4.335 3.960 -0.000 0.000 0.255 138 G C -0.343 174.347 174.900 -0.350 0.000 1.205 138 G CA -0.855 43.688 45.100 -0.929 0.000 0.884 138 G HN 0.875 nan 8.290 nan 0.000 0.549 139 E N -0.776 119.380 120.200 -0.074 0.000 2.313 139 E HA 0.521 4.871 4.350 -0.000 0.000 0.272 139 E C 0.357 177.029 176.600 0.121 0.000 1.038 139 E CA 0.467 56.893 56.400 0.042 0.000 0.863 139 E CB 1.304 31.052 29.700 0.081 0.000 1.060 139 E HN 0.911 nan 8.360 nan 0.000 0.402 140 G N 0.227 109.069 108.800 0.068 0.000 2.379 140 G HA2 0.116 4.076 3.960 -0.000 0.000 0.609 140 G HA3 0.116 4.076 3.960 -0.000 0.000 0.609 140 G C 0.148 175.076 174.900 0.047 0.000 1.484 140 G CA -0.354 44.794 45.100 0.080 0.000 0.921 140 G HN 0.494 nan 8.290 nan 0.000 0.658 141 A N 0.262 123.106 122.820 0.040 0.000 2.070 141 A HA 0.094 4.414 4.320 -0.000 0.000 0.220 141 A C 1.896 179.497 177.584 0.028 0.000 1.159 141 A CA 2.408 54.461 52.037 0.026 0.000 0.656 141 A CB -0.269 18.745 19.000 0.023 0.000 0.800 141 A HN 1.238 nan 8.150 nan 0.000 0.453 142 D N -1.070 119.356 120.400 0.044 0.000 2.339 142 D HA 0.020 4.660 4.640 -0.000 0.000 0.217 142 D C 0.293 176.619 176.300 0.042 0.000 1.050 142 D CA 0.074 54.102 54.000 0.046 0.000 0.856 142 D CB -0.121 40.714 40.800 0.059 0.000 0.922 142 D HN 0.280 nan 8.370 nan 0.000 0.518 143 Q N 0.728 120.544 119.800 0.027 0.000 2.193 143 Q HA 0.435 4.775 4.340 -0.000 0.000 0.246 143 Q C -2.414 173.569 176.000 -0.030 0.000 0.959 143 Q CA -2.216 53.580 55.803 -0.012 0.000 0.904 143 Q CB 0.432 29.134 28.738 -0.061 0.000 1.238 143 Q HN 0.022 nan 8.270 nan 0.000 0.469 144 P HA -0.014 nan 4.420 nan 0.000 0.265 144 P C -0.770 176.494 177.300 -0.060 0.000 1.187 144 P CA 0.286 63.352 63.100 -0.057 0.000 0.766 144 P CB 0.429 32.076 31.700 -0.087 0.000 0.820 145 Q N 3.827 123.598 119.800 -0.048 0.000 2.292 145 Q HA 0.435 4.775 4.340 -0.000 0.000 0.270 145 Q C -2.466 173.505 176.000 -0.048 0.000 1.024 145 Q CA -2.043 53.731 55.803 -0.048 0.000 0.768 145 Q CB 0.717 29.436 28.738 -0.032 0.000 1.250 145 Q HN 0.269 nan 8.270 nan 0.000 0.447 146 P HA 0.261 nan 4.420 nan 0.000 0.273 146 P C -0.726 176.514 177.300 -0.099 0.000 1.250 146 P CA -0.379 62.675 63.100 -0.078 0.000 0.793 146 P CB 0.830 32.477 31.700 -0.088 0.000 1.011 147 R N 0.085 120.522 120.500 -0.105 0.000 2.774 147 R HA 0.399 4.739 4.340 -0.000 0.000 0.269 147 R C 0.234 176.430 176.300 -0.173 0.000 1.068 147 R CA -0.001 56.022 56.100 -0.128 0.000 1.180 147 R CB 0.110 30.343 30.300 -0.112 0.000 1.077 147 R HN 0.505 nan 8.270 nan 0.000 0.513 148 M N 1.031 120.500 119.600 -0.219 0.000 2.259 148 M HA 0.410 4.890 4.480 -0.000 0.000 0.304 148 M C -0.925 175.093 176.300 -0.470 0.000 1.019 148 M CA -0.614 54.465 55.300 -0.368 0.000 0.922 148 M CB 2.502 34.829 32.600 -0.454 0.000 1.600 148 M HN 0.603 nan 8.290 nan 0.000 0.433 149 A N 3.113 125.630 122.820 -0.505 0.000 2.287 149 A HA 0.812 5.132 4.320 -0.000 0.000 0.317 149 A C -1.296 175.982 177.584 -0.511 0.000 1.220 149 A CA -0.489 51.320 52.037 -0.381 0.000 0.835 149 A CB 0.208 19.086 19.000 -0.203 0.000 1.180 149 A HN 0.731 nan 8.150 nan 0.000 0.500 150 F N 2.428 122.391 119.950 0.021 0.000 2.334 150 F HA 0.273 4.800 4.527 -0.000 0.000 0.365 150 F C 1.598 177.451 175.800 0.087 0.000 1.124 150 F CA -0.011 58.011 58.000 0.037 0.000 1.166 150 F CB 1.182 40.219 39.000 0.062 0.000 1.355 150 F HN 0.613 nan 8.300 nan 0.000 0.532 151 T N -0.488 114.165 114.554 0.166 0.000 3.122 151 T HA 0.441 4.791 4.350 -0.000 0.000 0.250 151 T C 1.371 176.147 174.700 0.126 0.000 1.067 151 T CA 0.108 62.259 62.100 0.086 0.000 0.966 151 T CB -0.386 68.494 68.868 0.020 0.000 1.002 151 T HN 0.838 nan 8.240 nan 0.000 0.542 152 G N 2.321 111.277 108.800 0.259 0.000 2.596 152 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.295 152 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.295 152 G C 0.118 175.143 174.900 0.208 0.000 1.240 152 G CA 0.435 45.715 45.100 0.300 0.000 0.985 152 G HN 0.440 nan 8.290 nan 0.000 0.555 153 D N 1.217 121.606 120.400 -0.019 0.000 2.363 153 D HA 0.467 5.107 4.640 -0.000 0.000 0.214 153 D C 2.199 178.372 176.300 -0.210 0.000 1.093 153 D CA 1.026 54.928 54.000 -0.164 0.000 0.837 153 D CB 0.065 40.468 40.800 -0.661 0.000 0.948 153 D HN 0.662 nan 8.370 nan 0.000 0.507 154 A N -0.035 122.716 122.820 -0.114 0.000 1.898 154 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 154 A C 1.087 178.639 177.584 -0.053 0.000 1.181 154 A CA 0.865 52.859 52.037 -0.072 0.000 0.620 154 A CB 0.308 19.256 19.000 -0.086 0.000 0.819 154 A HN 0.091 nan 8.150 nan 0.000 0.442 155 V N 0.878 120.775 119.914 -0.028 0.000 2.482 155 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 155 V C -0.454 175.685 176.094 0.075 0.000 1.026 155 V CA -0.443 61.856 62.300 -0.001 0.000 0.856 155 V CB 1.410 33.204 31.823 -0.049 0.000 1.001 155 V HN 0.391 nan 8.190 nan 0.000 0.424 156 L N 4.100 125.395 121.223 0.120 0.000 2.365 156 L HA 0.608 4.948 4.340 -0.000 0.000 0.267 156 L C -0.095 176.874 176.870 0.165 0.000 1.033 156 L CA -0.960 53.990 54.840 0.183 0.000 0.802 156 L CB 1.642 43.843 42.059 0.237 0.000 1.267 156 L HN 0.434 nan 8.230 nan 0.000 0.457 157 I N 2.470 123.160 120.570 0.200 0.000 2.505 157 I HA 0.037 4.207 4.170 -0.000 0.000 0.287 157 I C 0.192 176.404 176.117 0.157 0.000 1.104 157 I CA -0.008 61.370 61.300 0.130 0.000 1.387 157 I CB -0.026 38.060 38.000 0.142 0.000 1.404 157 I HN 0.588 nan 8.210 nan 0.000 0.528 158 R N 3.511 124.063 120.500 0.088 0.000 3.525 158 R HA -0.175 4.165 4.340 -0.000 0.000 0.276 158 R C 0.002 176.408 176.300 0.177 0.000 1.116 158 R CA 0.694 56.867 56.100 0.122 0.000 0.745 158 R CB -2.433 27.930 30.300 0.105 0.000 1.185 158 R HN 1.015 nan 8.270 nan 0.000 0.454 159 G N -1.731 107.176 108.800 0.180 0.000 2.570 159 G HA2 0.626 4.586 3.960 -0.000 0.000 0.310 159 G HA3 0.626 4.586 3.960 -0.000 0.000 0.310 159 G C -0.812 174.196 174.900 0.180 0.000 1.266 159 G CA -0.060 45.156 45.100 0.194 0.000 0.825 159 G HN 0.837 nan 8.290 nan 0.000 0.483 160 C N -1.805 117.604 119.300 0.181 0.000 3.253 160 C HA 0.851 5.311 4.460 -0.000 0.000 0.342 160 C C 0.607 175.672 174.990 0.126 0.000 1.306 160 C CA 0.005 59.113 59.018 0.150 0.000 1.207 160 C CB 1.165 29.021 27.740 0.193 0.000 1.479 160 C HN 1.926 nan 8.230 nan 0.000 0.469 161 G N 0.906 109.728 108.800 0.036 0.000 2.599 161 G HA2 0.581 4.541 3.960 -0.000 0.000 0.264 161 G HA3 0.581 4.541 3.960 -0.000 0.000 0.264 161 G C 0.027 175.046 174.900 0.199 0.000 1.200 161 G CA -0.656 44.443 45.100 -0.002 0.000 0.896 161 G HN 1.210 nan 8.290 nan 0.000 0.536 162 R N -1.542 119.116 120.500 0.263 0.000 2.679 162 R HA 0.360 4.700 4.340 -0.000 0.000 0.269 162 R C 0.313 176.786 176.300 0.289 0.000 1.076 162 R CA 0.337 56.574 56.100 0.228 0.000 1.160 162 R CB 0.364 30.765 30.300 0.168 0.000 1.054 162 R HN 0.484 nan 8.270 nan 0.000 0.507 163 T N -3.323 111.336 114.554 0.175 0.000 3.145 163 T HA 0.044 4.394 4.350 -0.000 0.000 0.281 163 T C 0.188 174.930 174.700 0.070 0.000 1.003 163 T CA -0.258 61.922 62.100 0.133 0.000 0.901 163 T CB 0.050 68.996 68.868 0.131 0.000 1.112 163 T HN 0.757 nan 8.240 nan 0.000 0.535 164 D N 0.124 120.578 120.400 0.090 0.000 2.369 164 D HA 0.219 4.859 4.640 -0.000 0.000 0.211 164 D C -0.052 176.119 176.300 -0.214 0.000 1.077 164 D CA -0.451 53.530 54.000 -0.033 0.000 0.842 164 D CB -0.132 40.650 40.800 -0.030 0.000 0.947 164 D HN 0.430 nan 8.370 nan 0.000 0.509 165 F N 0.086 119.992 119.950 -0.073 0.000 2.654 165 F HA 0.335 4.862 4.527 -0.000 0.000 0.334 165 F C 0.639 176.373 175.800 -0.109 0.000 1.078 165 F CA -0.954 56.989 58.000 -0.095 0.000 0.986 165 F CB 1.166 40.085 39.000 -0.134 0.000 1.362 165 F HN -0.286 nan 8.300 nan 0.000 0.498 166 Q N 0.475 120.345 119.800 0.117 0.000 2.475 166 Q HA -0.273 4.067 4.340 -0.000 0.000 0.280 166 Q C -0.306 175.689 176.000 -0.009 0.000 1.234 166 Q CA 1.139 56.959 55.803 0.029 0.000 0.873 166 Q CB -1.617 27.106 28.738 -0.024 0.000 1.256 166 Q HN 0.776 nan 8.270 nan 0.000 0.475 167 E N -3.390 116.800 120.200 -0.016 0.000 2.791 167 E HA -0.229 4.121 4.350 -0.000 0.000 0.271 167 E C 0.639 177.229 176.600 -0.018 0.000 1.044 167 E CA 0.442 56.828 56.400 -0.023 0.000 0.814 167 E CB -1.597 28.093 29.700 -0.016 0.000 1.400 167 E HN 0.693 nan 8.360 nan 0.000 0.423 168 G N 0.477 109.266 108.800 -0.018 0.000 2.653 168 G HA2 0.440 4.400 3.960 -0.000 0.000 0.265 168 G HA3 0.440 4.400 3.960 -0.000 0.000 0.265 168 G C -0.373 174.538 174.900 0.019 0.000 1.237 168 G CA 0.416 45.519 45.100 0.004 0.000 0.946 168 G HN 0.220 nan 8.290 nan 0.000 0.522 169 S N -1.921 113.812 115.700 0.054 0.000 2.584 169 S HA 0.328 4.798 4.470 -0.000 0.000 0.280 169 S C 0.823 175.501 174.600 0.129 0.000 1.162 169 S CA 0.413 58.653 58.200 0.065 0.000 0.951 169 S CB 1.334 64.563 63.200 0.049 0.000 1.108 169 S HN 1.016 nan 8.310 nan 0.000 0.464 170 S N 2.713 118.498 115.700 0.142 0.000 2.368 170 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 170 S C 1.452 176.271 174.600 0.364 0.000 1.030 170 S CA 2.066 60.436 58.200 0.283 0.000 0.999 170 S CB -0.577 62.687 63.200 0.107 0.000 0.844 170 S HN 0.846 nan 8.310 nan 0.000 0.459 171 D N 0.365 120.884 120.400 0.199 0.000 2.104 171 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 171 D C 2.085 178.481 176.300 0.160 0.000 0.994 171 D CA 1.501 55.595 54.000 0.158 0.000 0.830 171 D CB -0.328 40.517 40.800 0.074 0.000 0.959 171 D HN 0.663 nan 8.370 nan 0.000 0.452 172 Q N -0.255 119.618 119.800 0.122 0.000 2.079 172 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 172 Q C 2.465 178.519 176.000 0.090 0.000 0.974 172 Q CA 0.831 56.686 55.803 0.086 0.000 0.840 172 Q CB -0.127 28.647 28.738 0.061 0.000 0.898 172 Q HN 0.218 nan 8.270 nan 0.000 0.430 173 L N 0.064 121.369 121.223 0.136 0.000 2.012 173 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 173 L C 2.095 178.959 176.870 -0.009 0.000 1.073 173 L CA 1.958 56.854 54.840 0.094 0.000 0.748 173 L CB -0.969 41.220 42.059 0.216 0.000 0.891 173 L HN 0.355 nan 8.230 nan 0.000 0.431 174 Y N 0.249 120.476 120.300 -0.121 0.000 2.145 174 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 174 Y C 2.494 178.349 175.900 -0.075 0.000 1.145 174 Y CA 2.073 60.023 58.100 -0.250 0.000 1.148 174 Y CB 0.036 38.351 38.460 -0.243 0.000 0.981 174 Y HN 0.290 nan 8.280 nan 0.000 0.507 175 E N -0.390 119.894 120.200 0.140 0.000 2.077 175 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 175 E C 2.383 178.960 176.600 -0.038 0.000 0.989 175 E CA 1.336 57.776 56.400 0.067 0.000 0.800 175 E CB -0.484 29.261 29.700 0.075 0.000 0.746 175 E HN 0.409 nan 8.360 nan 0.000 0.452 176 S N 0.743 116.405 115.700 -0.063 0.000 2.353 176 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 176 S C 2.297 176.762 174.600 -0.224 0.000 1.035 176 S CA 1.265 59.398 58.200 -0.111 0.000 1.025 176 S CB -0.287 62.858 63.200 -0.090 0.000 0.902 176 S HN 0.055 nan 8.310 nan 0.000 0.440 177 V N 1.680 121.379 119.914 -0.357 0.000 2.295 177 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 177 V C 2.185 177.787 176.094 -0.820 0.000 1.049 177 V CA 1.663 63.559 62.300 -0.673 0.000 1.024 177 V CB -0.741 30.526 31.823 -0.926 0.000 0.648 177 V HN 0.583 nan 8.190 nan 0.000 0.447 178 H N 0.157 118.859 119.070 -0.614 0.000 2.428 178 H HA -0.063 4.493 4.556 -0.000 0.000 0.296 178 H C 2.542 177.767 175.328 -0.172 0.000 1.062 178 H CA 1.799 57.612 56.048 -0.392 0.000 1.350 178 H CB 0.055 29.604 29.762 -0.355 0.000 1.403 178 H HN 0.624 nan 8.280 nan 0.000 0.533 179 S N 0.061 115.722 115.700 -0.066 0.000 2.439 179 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 179 S C 1.758 176.325 174.600 -0.055 0.000 1.029 179 S CA 0.359 58.540 58.200 -0.032 0.000 0.946 179 S CB 0.305 63.493 63.200 -0.020 0.000 0.797 179 S HN 0.248 nan 8.310 nan 0.000 0.504 180 Q N 0.179 119.915 119.800 -0.108 0.000 2.423 180 Q HA 0.446 4.786 4.340 -0.000 0.000 0.231 180 Q C 1.899 177.836 176.000 -0.105 0.000 0.894 180 Q CA 0.475 56.221 55.803 -0.094 0.000 0.938 180 Q CB 0.138 28.817 28.738 -0.099 0.000 1.079 180 Q HN 0.572 nan 8.270 nan 0.000 0.552 181 I N -0.893 119.572 120.570 -0.175 0.000 3.194 181 I HA -0.004 4.166 4.170 -0.000 0.000 0.271 181 I C 1.073 177.208 176.117 0.029 0.000 1.150 181 I CA 0.245 61.462 61.300 -0.139 0.000 1.440 181 I CB 0.121 37.966 38.000 -0.258 0.000 1.276 181 I HN -0.067 nan 8.210 nan 0.000 0.457 182 F N 1.596 121.420 119.950 -0.210 0.000 2.771 182 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 182 F C 2.540 178.264 175.800 -0.126 0.000 1.177 182 F CA 0.904 58.783 58.000 -0.201 0.000 1.450 182 F CB -1.629 37.191 39.000 -0.299 0.000 1.114 182 F HN 0.182 nan 8.300 nan 0.000 0.587 183 T N -2.943 111.655 114.554 0.073 0.000 3.100 183 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 183 T C 0.886 175.589 174.700 0.005 0.000 1.118 183 T CA 0.114 62.231 62.100 0.029 0.000 1.058 183 T CB -0.260 68.616 68.868 0.012 0.000 0.953 183 T HN -0.008 nan 8.240 nan 0.000 0.515 184 L N 1.697 122.919 121.223 -0.000 0.000 2.453 184 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 184 L C -2.083 174.766 176.870 -0.034 0.000 1.179 184 L CA -2.502 52.324 54.840 -0.023 0.000 0.813 184 L CB 0.005 42.042 42.059 -0.037 0.000 1.110 184 L HN -0.046 nan 8.230 nan 0.000 0.466 185 P HA 0.000 nan 4.420 nan 0.000 0.266 185 P C -0.142 177.117 177.300 -0.070 0.000 1.193 185 P CA 0.048 63.117 63.100 -0.053 0.000 0.770 185 P CB 0.430 32.099 31.700 -0.052 0.000 0.836 186 K N 1.598 121.951 120.400 -0.078 0.000 2.280 186 K HA -0.148 4.172 4.320 -0.000 0.000 0.202 186 K C 1.071 177.611 176.600 -0.101 0.000 1.047 186 K CA 1.538 57.765 56.287 -0.100 0.000 0.942 186 K CB -0.231 32.206 32.500 -0.105 0.000 0.739 186 K HN 0.618 nan 8.250 nan 0.000 0.457 187 D N -0.048 120.298 120.400 -0.089 0.000 2.349 187 D HA -0.057 4.583 4.640 -0.000 0.000 0.224 187 D C 0.087 176.320 176.300 -0.112 0.000 1.029 187 D CA 0.238 54.182 54.000 -0.093 0.000 0.879 187 D CB -0.436 40.318 40.800 -0.076 0.000 0.906 187 D HN -0.212 nan 8.370 nan 0.000 0.528 188 T N 1.578 116.063 114.554 -0.115 0.000 2.908 188 T HA 0.113 4.463 4.350 -0.000 0.000 0.301 188 T C 0.616 175.204 174.700 -0.187 0.000 1.019 188 T CA -0.162 61.855 62.100 -0.139 0.000 1.152 188 T CB 0.579 69.374 68.868 -0.122 0.000 0.966 188 T HN 0.101 nan 8.240 nan 0.000 0.540 189 L N 3.911 124.989 121.223 -0.242 0.000 2.371 189 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 189 L C 0.253 176.855 176.870 -0.446 0.000 1.124 189 L CA -0.721 53.893 54.840 -0.376 0.000 0.816 189 L CB 0.454 42.255 42.059 -0.431 0.000 1.129 189 L HN 0.411 nan 8.230 nan 0.000 0.448 190 I N 3.241 123.520 120.570 -0.485 0.000 2.339 190 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 190 I C -0.781 175.032 176.117 -0.507 0.000 0.994 190 I CA -0.317 60.757 61.300 -0.376 0.000 1.191 190 I CB 1.041 38.924 38.000 -0.195 0.000 1.343 190 I HN 0.399 nan 8.210 nan 0.000 0.458 191 Y N 7.820 127.968 120.300 -0.254 0.000 2.555 191 Y HA 0.376 4.926 4.550 -0.000 0.000 0.326 191 Y C -2.136 173.812 175.900 0.080 0.000 0.984 191 Y CA -2.280 55.727 58.100 -0.155 0.000 1.298 191 Y CB 1.343 39.487 38.460 -0.527 0.000 1.094 191 Y HN 0.395 nan 8.280 nan 0.000 0.500 192 P HA 0.241 nan 4.420 nan 0.000 0.279 192 P C 0.105 177.785 177.300 0.634 0.000 1.276 192 P CA -0.244 63.112 63.100 0.427 0.000 0.801 192 P CB 1.698 33.618 31.700 0.367 0.000 1.127 193 A N -0.286 122.820 122.820 0.476 0.000 2.169 193 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 193 A C 0.307 177.796 177.584 -0.158 0.000 1.153 193 A CA 1.124 53.347 52.037 0.310 0.000 0.756 193 A CB -0.909 18.297 19.000 0.342 0.000 0.813 193 A HN 0.684 nan 8.150 nan 0.000 0.471 194 H N -2.668 116.550 119.070 0.247 0.000 3.016 194 H HA 0.615 5.171 4.556 -0.000 0.000 0.362 194 H C -1.696 173.534 175.328 -0.163 0.000 1.233 194 H CA -0.660 55.314 56.048 -0.123 0.000 1.124 194 H CB 1.698 31.368 29.762 -0.153 0.000 1.850 194 H HN 0.248 nan 8.280 nan 0.000 0.549 195 D N -0.071 120.087 120.400 -0.403 0.000 2.927 195 D HA 0.229 4.869 4.640 -0.000 0.000 0.219 195 D C -1.110 174.882 176.300 -0.513 0.000 1.248 195 D CA -0.359 53.483 54.000 -0.263 0.000 0.861 195 D CB 1.059 41.942 40.800 0.138 0.000 1.677 195 D HN 0.504 nan 8.370 nan 0.000 0.511 196 Y N 1.653 122.012 120.300 0.100 0.000 2.481 196 Y HA 0.338 4.888 4.550 -0.000 0.000 0.247 196 Y C 1.295 177.170 175.900 -0.041 0.000 1.151 196 Y CA -0.361 57.767 58.100 0.045 0.000 1.238 196 Y CB 0.764 39.251 38.460 0.045 0.000 1.179 196 Y HN 0.175 nan 8.280 nan 0.000 0.524 197 K N -0.459 119.905 120.400 -0.059 0.000 2.402 197 K HA 0.368 4.688 4.320 -0.000 0.000 0.204 197 K C 1.214 177.514 176.600 -0.501 0.000 1.056 197 K CA 0.657 56.753 56.287 -0.318 0.000 1.069 197 K CB 1.094 33.249 32.500 -0.576 0.000 0.888 197 K HN 0.291 nan 8.250 nan 0.000 0.546 198 G N 1.718 110.321 108.800 -0.328 0.000 2.141 198 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.231 198 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.231 198 G C -0.153 174.655 174.900 -0.153 0.000 0.984 198 G CA -0.277 44.661 45.100 -0.269 0.000 0.660 198 G HN 0.113 nan 8.290 nan 0.000 0.525 199 F N 0.293 120.278 119.950 0.058 0.000 2.378 199 F HA 0.656 5.182 4.527 -0.000 0.000 0.325 199 F C 1.445 177.345 175.800 0.167 0.000 1.097 199 F CA -0.745 57.303 58.000 0.081 0.000 1.079 199 F CB 1.033 40.082 39.000 0.081 0.000 1.240 199 F HN 0.088 nan 8.300 nan 0.000 0.519 200 E N -0.241 120.145 120.200 0.310 0.000 2.467 200 E HA 0.252 4.602 4.350 -0.000 0.000 0.213 200 E C -0.917 175.702 176.600 0.032 0.000 0.823 200 E CA 0.205 56.685 56.400 0.135 0.000 1.233 200 E CB 1.886 31.623 29.700 0.062 0.000 1.233 200 E HN 0.257 nan 8.360 nan 0.000 0.585 201 V N -0.190 119.720 119.914 -0.008 0.000 3.120 201 V HA 0.562 4.682 4.120 -0.000 0.000 0.303 201 V C -1.386 174.580 176.094 -0.213 0.000 1.238 201 V CA -0.408 61.752 62.300 -0.233 0.000 1.008 201 V CB 2.257 33.882 31.823 -0.331 0.000 1.064 201 V HN 0.094 nan 8.190 nan 0.000 0.434 202 S N 1.979 117.506 115.700 -0.289 0.000 2.911 202 S HA 0.896 5.366 4.470 -0.000 0.000 0.319 202 S C -0.558 173.894 174.600 -0.246 0.000 1.154 202 S CA 0.243 58.309 58.200 -0.225 0.000 0.857 202 S CB 2.159 65.261 63.200 -0.163 0.000 1.279 202 S HN 1.501 nan 8.310 nan 0.000 0.593 203 T N -1.359 113.086 114.554 -0.181 0.000 2.901 203 T HA 0.576 4.926 4.350 -0.000 0.000 0.293 203 T C 0.956 175.576 174.700 -0.133 0.000 1.084 203 T CA -0.483 61.514 62.100 -0.172 0.000 1.008 203 T CB 0.823 69.602 68.868 -0.149 0.000 1.170 203 T HN 0.294 nan 8.240 nan 0.000 0.509 204 V N 1.592 121.432 119.914 -0.123 0.000 2.287 204 V HA -0.031 4.089 4.120 -0.000 0.000 0.248 204 V C 2.860 178.831 176.094 -0.204 0.000 1.053 204 V CA 2.675 64.914 62.300 -0.102 0.000 1.027 204 V CB -1.367 30.416 31.823 -0.066 0.000 0.646 204 V HN 1.109 nan 8.190 nan 0.000 0.447 205 G N -1.027 107.667 108.800 -0.177 0.000 2.418 205 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 205 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 205 G C 1.490 176.277 174.900 -0.188 0.000 1.158 205 G CA 0.834 45.817 45.100 -0.195 0.000 0.771 205 G HN 0.555 nan 8.290 nan 0.000 0.545 206 E N 0.087 120.213 120.200 -0.124 0.000 2.077 206 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 206 E C 2.516 179.076 176.600 -0.066 0.000 0.989 206 E CA 0.900 57.274 56.400 -0.044 0.000 0.800 206 E CB 0.030 29.703 29.700 -0.044 0.000 0.746 206 E HN 0.312 nan 8.360 nan 0.000 0.452 207 E N 0.183 120.312 120.200 -0.119 0.000 2.150 207 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 207 E C 1.975 178.404 176.600 -0.286 0.000 0.985 207 E CA 0.815 57.162 56.400 -0.088 0.000 0.814 207 E CB -0.119 29.617 29.700 0.061 0.000 0.752 207 E HN 0.370 nan 8.360 nan 0.000 0.466 208 M N 0.186 119.423 119.600 -0.605 0.000 2.296 208 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 208 M C 2.216 178.256 176.300 -0.433 0.000 1.064 208 M CA 1.236 56.031 55.300 -0.840 0.000 1.109 208 M CB 0.016 32.102 32.600 -0.856 0.000 1.396 208 M HN -0.038 nan 8.290 nan 0.000 0.430 209 Q N -0.635 118.943 119.800 -0.370 0.000 2.204 209 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 209 Q C 1.336 177.030 176.000 -0.509 0.000 0.946 209 Q CA 1.315 56.840 55.803 -0.462 0.000 0.859 209 Q CB 0.340 28.710 28.738 -0.613 0.000 0.946 209 Q HN 0.508 nan 8.270 nan 0.000 0.474 210 H N -1.274 117.746 119.070 -0.082 0.000 3.170 210 H HA 0.228 4.784 4.556 -0.000 0.000 0.264 210 H C -0.158 175.170 175.328 -0.001 0.000 1.113 210 H CA -0.210 55.815 56.048 -0.040 0.000 1.194 210 H CB 0.331 30.057 29.762 -0.059 0.000 1.553 210 H HN 0.184 nan 8.280 nan 0.000 0.538 211 N N 3.230 121.991 118.700 0.102 0.000 2.440 211 N HA -0.027 4.713 4.740 -0.000 0.000 0.265 211 N C -1.877 173.724 175.510 0.152 0.000 1.239 211 N CA -0.987 52.143 53.050 0.133 0.000 0.909 211 N CB 1.710 40.293 38.487 0.161 0.000 1.066 211 N HN 0.016 nan 8.380 nan 0.000 0.474 212 P HA 0.004 nan 4.420 nan 0.000 0.226 212 P C 0.535 177.951 177.300 0.192 0.000 1.153 212 P CA 1.164 64.359 63.100 0.157 0.000 0.777 212 P CB 0.433 32.219 31.700 0.143 0.000 0.794 213 R N -1.915 118.738 120.500 0.256 0.000 2.320 213 R HA 0.289 4.629 4.340 -0.000 0.000 0.193 213 R C 1.869 178.472 176.300 0.505 0.000 0.885 213 R CA 0.006 56.336 56.100 0.384 0.000 1.085 213 R CB -0.546 30.019 30.300 0.441 0.000 1.253 213 R HN 0.114 nan 8.270 nan 0.000 0.636 214 L N 1.509 122.939 121.223 0.345 0.000 2.551 214 L HA -0.018 4.322 4.340 -0.000 0.000 0.228 214 L C 1.817 178.882 176.870 0.324 0.000 1.153 214 L CA 1.106 56.053 54.840 0.178 0.000 0.851 214 L CB -0.167 41.879 42.059 -0.021 0.000 0.959 214 L HN 0.321 nan 8.230 nan 0.000 0.451 215 T N -4.578 110.150 114.554 0.291 0.000 3.081 215 T HA 0.072 4.422 4.350 -0.000 0.000 0.255 215 T C 1.026 175.879 174.700 0.254 0.000 1.113 215 T CA -0.239 62.005 62.100 0.241 0.000 1.082 215 T CB 0.086 69.018 68.868 0.106 0.000 0.939 215 T HN -0.085 nan 8.240 nan 0.000 0.506 216 K N 3.108 123.691 120.400 0.304 0.000 2.132 216 K HA 0.250 4.570 4.320 -0.000 0.000 0.240 216 K C 0.237 176.997 176.600 0.267 0.000 1.036 216 K CA -0.356 56.082 56.287 0.252 0.000 0.888 216 K CB 0.179 32.832 32.500 0.255 0.000 1.071 216 K HN 0.562 nan 8.250 nan 0.000 0.502 217 D N -0.648 119.827 120.400 0.124 0.000 2.371 217 D HA 0.023 4.663 4.640 -0.000 0.000 0.242 217 D C 0.916 177.080 176.300 -0.227 0.000 1.218 217 D CA -0.256 53.750 54.000 0.010 0.000 0.945 217 D CB 0.672 41.461 40.800 -0.019 0.000 1.137 217 D HN 0.395 nan 8.370 nan 0.000 0.464 218 K N -0.521 119.516 120.400 -0.606 0.000 2.032 218 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 218 K C 1.621 178.008 176.600 -0.354 0.000 1.048 218 K CA 1.280 56.975 56.287 -0.987 0.000 0.927 218 K CB 0.054 32.076 32.500 -0.797 0.000 0.712 218 K HN 0.381 nan 8.250 nan 0.000 0.441 219 E N -0.052 120.032 120.200 -0.194 0.000 2.106 219 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 219 E C 2.052 178.622 176.600 -0.050 0.000 0.984 219 E CA 1.327 57.670 56.400 -0.094 0.000 0.806 219 E CB -0.393 29.266 29.700 -0.069 0.000 0.750 219 E HN 0.365 nan 8.360 nan 0.000 0.458 220 T N 1.328 115.865 114.554 -0.028 0.000 2.777 220 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 220 T C 1.596 176.325 174.700 0.050 0.000 1.040 220 T CA 1.029 63.139 62.100 0.016 0.000 1.141 220 T CB -0.438 68.455 68.868 0.043 0.000 0.868 220 T HN 0.148 nan 8.240 nan 0.000 0.444 221 F N 2.432 122.353 119.950 -0.049 0.000 2.065 221 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 221 F C 2.180 177.984 175.800 0.007 0.000 1.112 221 F CA 1.431 59.444 58.000 0.023 0.000 1.212 221 F CB -0.238 38.813 39.000 0.084 0.000 0.975 221 F HN -0.030 nan 8.300 nan 0.000 0.476 222 K N -0.496 119.863 120.400 -0.068 0.000 2.063 222 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 222 K C 2.003 178.510 176.600 -0.155 0.000 1.048 222 K CA 2.077 58.284 56.287 -0.133 0.000 0.928 222 K CB -0.773 31.708 32.500 -0.031 0.000 0.713 222 K HN 0.311 nan 8.250 nan 0.000 0.442 223 T N 1.977 116.471 114.554 -0.101 0.000 2.708 223 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 223 T C 2.013 176.654 174.700 -0.098 0.000 1.037 223 T CA 1.201 63.255 62.100 -0.077 0.000 1.146 223 T CB -0.239 68.602 68.868 -0.044 0.000 0.865 223 T HN 0.135 nan 8.240 nan 0.000 0.435 224 I N 0.913 121.412 120.570 -0.117 0.000 2.118 224 I HA -0.223 3.947 4.170 -0.000 0.000 0.241 224 I C 2.574 178.592 176.117 -0.165 0.000 1.070 224 I CA 1.191 62.422 61.300 -0.115 0.000 1.327 224 I CB -0.366 37.582 38.000 -0.086 0.000 1.034 224 I HN 0.214 nan 8.210 nan 0.000 0.405 225 M N 0.418 119.833 119.600 -0.307 0.000 2.159 225 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 225 M C 2.666 178.883 176.300 -0.138 0.000 1.063 225 M CA 2.035 57.171 55.300 -0.273 0.000 1.110 225 M CB -1.477 30.859 32.600 -0.439 0.000 1.374 225 M HN 0.408 nan 8.290 nan 0.000 0.411 226 S N 0.268 115.895 115.700 -0.122 0.000 2.423 226 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 226 S C 1.486 176.058 174.600 -0.046 0.000 1.014 226 S CA 1.050 59.209 58.200 -0.069 0.000 0.965 226 S CB -0.497 62.667 63.200 -0.060 0.000 0.785 226 S HN 0.423 nan 8.310 nan 0.000 0.495 227 N N 1.274 119.945 118.700 -0.050 0.000 2.398 227 N HA 0.281 5.021 4.740 -0.000 0.000 0.188 227 N C 0.016 175.514 175.510 -0.019 0.000 1.122 227 N CA 0.052 53.084 53.050 -0.029 0.000 0.866 227 N CB -0.383 38.088 38.487 -0.027 0.000 0.970 227 N HN 0.485 nan 8.380 nan 0.000 0.462 228 L N 1.370 122.579 121.223 -0.023 0.000 2.485 228 L HA 0.041 4.381 4.340 -0.000 0.000 0.275 228 L C 0.387 177.260 176.870 0.005 0.000 1.207 228 L CA 0.194 55.029 54.840 -0.009 0.000 0.855 228 L CB 0.260 42.314 42.059 -0.008 0.000 1.114 228 L HN -0.034 nan 8.230 nan 0.000 0.485 229 N N 5.428 124.133 118.700 0.008 0.000 2.589 229 N HA 0.443 5.183 4.740 -0.000 0.000 0.232 229 N C -0.865 174.654 175.510 0.015 0.000 1.015 229 N CA -0.132 52.926 53.050 0.014 0.000 0.931 229 N CB 1.149 39.642 38.487 0.011 0.000 1.150 229 N HN 0.398 nan 8.380 nan 0.000 0.512 230 L N 0.669 121.908 121.223 0.027 0.000 2.354 230 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 230 L C 0.804 177.698 176.870 0.041 0.000 1.005 230 L CA -0.936 53.916 54.840 0.020 0.000 0.819 230 L CB 1.823 43.895 42.059 0.021 0.000 1.311 230 L HN 0.332 nan 8.230 nan 0.000 0.423 231 S N -0.057 115.656 115.700 0.023 0.000 2.614 231 S HA 0.252 4.722 4.470 -0.000 0.000 0.265 231 S C -0.476 174.166 174.600 0.069 0.000 1.303 231 S CA -0.481 57.752 58.200 0.055 0.000 1.000 231 S CB 0.593 63.812 63.200 0.032 0.000 0.935 231 S HN 0.414 nan 8.310 nan 0.000 0.551 232 Y N 2.212 122.508 120.300 -0.008 0.000 2.610 232 Y HA 0.272 4.821 4.550 -0.000 0.000 0.332 232 Y C -2.271 173.540 175.900 -0.149 0.000 1.201 232 Y CA -1.512 56.565 58.100 -0.037 0.000 1.465 232 Y CB -0.074 38.394 38.460 0.013 0.000 1.283 232 Y HN 0.480 nan 8.280 nan 0.000 0.563 233 P HA -0.052 nan 4.420 nan 0.000 0.260 233 P C -0.254 176.905 177.300 -0.236 0.000 1.185 233 P CA 0.221 63.004 63.100 -0.529 0.000 0.763 233 P CB 0.466 31.660 31.700 -0.844 0.000 0.776 234 K N 3.239 123.578 120.400 -0.103 0.000 2.365 234 K HA -0.075 4.245 4.320 -0.000 0.000 0.199 234 K C 1.150 177.752 176.600 0.003 0.000 1.045 234 K CA 1.237 57.520 56.287 -0.006 0.000 0.962 234 K CB -0.261 32.234 32.500 -0.009 0.000 0.759 234 K HN 0.415 nan 8.250 nan 0.000 0.469 235 M N -0.106 119.472 119.600 -0.037 0.000 2.289 235 M HA 0.267 4.747 4.480 -0.000 0.000 0.335 235 M C 1.231 177.515 176.300 -0.027 0.000 0.961 235 M CA -0.088 55.203 55.300 -0.015 0.000 1.018 235 M CB 0.479 33.074 32.600 -0.008 0.000 1.678 235 M HN 0.093 nan 8.290 nan 0.000 0.589 236 I N 0.936 121.459 120.570 -0.078 0.000 2.335 236 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 236 I C 0.903 177.017 176.117 -0.004 0.000 1.129 236 I CA 1.706 62.949 61.300 -0.095 0.000 1.402 236 I CB 0.064 37.903 38.000 -0.268 0.000 1.069 236 I HN 0.351 nan 8.210 nan 0.000 0.424 237 D N -0.367 120.065 120.400 0.053 0.000 2.355 237 D HA -0.035 4.605 4.640 -0.000 0.000 0.218 237 D C 2.019 178.345 176.300 0.044 0.000 1.004 237 D CA 0.715 54.758 54.000 0.072 0.000 0.880 237 D CB 0.584 41.451 40.800 0.111 0.000 0.911 237 D HN 0.295 nan 8.370 nan 0.000 0.528 238 V N 0.652 120.583 119.914 0.029 0.000 2.788 238 V HA 0.057 4.177 4.120 -0.000 0.000 0.241 238 V C 2.353 178.454 176.094 0.011 0.000 1.083 238 V CA 1.127 63.439 62.300 0.020 0.000 1.103 238 V CB 0.060 31.894 31.823 0.018 0.000 0.800 238 V HN 0.094 nan 8.190 nan 0.000 0.476 239 A N 0.027 122.846 122.820 -0.001 0.000 1.872 239 A HA -0.096 4.223 4.320 -0.000 0.000 0.214 239 A C 2.333 179.907 177.584 -0.017 0.000 1.187 239 A CA 1.842 53.868 52.037 -0.018 0.000 0.614 239 A CB -0.612 18.363 19.000 -0.043 0.000 0.826 239 A HN 0.262 nan 8.150 nan 0.000 0.442 240 V N 0.666 120.573 119.914 -0.011 0.000 2.255 240 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 240 V C -0.083 176.018 176.094 0.011 0.000 1.051 240 V CA 2.615 64.913 62.300 -0.003 0.000 1.018 240 V CB -1.577 30.251 31.823 0.009 0.000 0.641 240 V HN 0.361 nan 8.190 nan 0.000 0.445 241 P HA -0.197 nan 4.420 nan 0.000 0.216 241 P C 1.681 178.994 177.300 0.021 0.000 1.153 241 P CA 2.208 65.322 63.100 0.023 0.000 0.858 241 P CB -0.171 31.544 31.700 0.025 0.000 0.789 242 A N -0.403 122.427 122.820 0.017 0.000 1.898 242 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 242 A C 2.057 179.654 177.584 0.022 0.000 1.181 242 A CA 1.836 53.884 52.037 0.019 0.000 0.620 242 A CB -1.396 17.613 19.000 0.016 0.000 0.819 242 A HN 0.136 nan 8.150 nan 0.000 0.442 243 N N -0.376 118.332 118.700 0.014 0.000 2.396 243 N HA -0.042 4.698 4.740 -0.000 0.000 0.180 243 N C 1.408 176.936 175.510 0.031 0.000 1.028 243 N CA 0.963 54.023 53.050 0.018 0.000 0.893 243 N CB -0.302 38.180 38.487 -0.008 0.000 0.967 243 N HN 0.369 nan 8.380 nan 0.000 0.440 244 M N 0.556 120.174 119.600 0.030 0.000 2.476 244 M HA 0.036 4.516 4.480 -0.000 0.000 0.262 244 M C 0.879 177.213 176.300 0.056 0.000 1.079 244 M CA 0.418 55.744 55.300 0.044 0.000 1.104 244 M CB -0.546 32.075 32.600 0.035 0.000 1.409 244 M HN -0.076 nan 8.290 nan 0.000 0.467 248 L N 0.000 121.237 121.223 0.023 0.000 2.949 248 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 248 L CA 0.000 54.851 54.840 0.019 0.000 0.813 248 L CB 0.000 42.070 42.059 0.018 0.000 0.961 248 L HN 0.000 nan 8.230 nan 0.000 0.502