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 1rqe_1_A DATA FIRST_RESID 3 DATA SEQUENCE PREIEVSEPR EVGITELVLR DAHQSLMATR MAMEDMVGAC ADIDAAGYWS DATA SEQUENCE VECWGGATYD SCIRFLNEDP WERLRTFRKL MPNSRLQMLL RGQNLLGYRH DATA SEQUENCE YNDEVVDRFV DKSAENGMDV FRVFDAMNDP RNMAHAMAAV KKAGKHAQGT DATA SEQUENCE ICYTISPVHT VEGYVKLAGQ LLDMGADSIA LKDMAALLKP QPAYDIIKAI DATA SEQUENCE KDTYGQKTQI NLHCHSTTGV TEVSLMKAIE AGVDVVDTAI SSMSLGPGHN DATA SEQUENCE PTESVAEMLE GTGYTTNLDY DRLHKIRDHF KAIRPKYKKF ESKTLVDTSI DATA SEQUENCE FKSQIPGGML SNMESQLRAQ GAEDKMDEVM AEVPRVRKAA GFPPLVTPSS DATA SEQUENCE QIVGTQAVFN VMMGEYKRMT GEFADIMLGY YGASPADRDP KVVKLAEEQS DATA SEQUENCE GKKPITQRPA DLLPPEWEKQ SKEAATLKGF NGTDEDVLTY ALFPQVAPVF DATA SEQUENCE FEHRAEGPHS VALTDAQLKA EA 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.295 177.300 -0.008 0.000 1.155 3 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 3 P CB 0.000 31.697 31.700 -0.004 0.000 0.726 4 R N 1.855 122.349 120.500 -0.011 0.000 2.522 4 R HA 0.324 4.664 4.340 -0.000 0.000 0.284 4 R C -0.378 175.912 176.300 -0.017 0.000 1.032 4 R CA 0.627 56.719 56.100 -0.014 0.000 1.049 4 R CB 0.637 30.927 30.300 -0.018 0.000 0.956 4 R HN 0.333 nan 8.270 nan 0.000 0.422 5 E N 3.717 123.907 120.200 -0.017 0.000 2.383 5 E HA 0.367 4.717 4.350 -0.000 0.000 0.275 5 E C -0.988 175.597 176.600 -0.025 0.000 0.918 5 E CA -0.781 55.609 56.400 -0.017 0.000 0.764 5 E CB 2.271 31.968 29.700 -0.005 0.000 1.252 5 E HN 0.453 nan 8.360 nan 0.000 0.449 6 I N 1.546 122.096 120.570 -0.033 0.000 2.433 6 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 6 I C -0.193 175.931 176.117 0.012 0.000 1.001 6 I CA -0.648 60.620 61.300 -0.054 0.000 1.119 6 I CB 1.854 39.767 38.000 -0.145 0.000 1.289 6 I HN 0.502 nan 8.210 nan 0.000 0.438 7 E N 6.405 126.650 120.200 0.075 0.000 2.259 7 E HA 0.444 4.793 4.350 -0.000 0.000 0.281 7 E C -1.090 175.626 176.600 0.193 0.000 1.037 7 E CA -0.600 55.871 56.400 0.119 0.000 0.854 7 E CB 1.237 31.012 29.700 0.124 0.000 1.051 7 E HN 0.458 nan 8.360 nan 0.000 0.409 8 V N 1.728 121.737 119.914 0.159 0.000 2.864 8 V HA 0.576 4.696 4.120 -0.000 0.000 0.314 8 V C 0.071 176.281 176.094 0.193 0.000 1.073 8 V CA -0.724 61.708 62.300 0.219 0.000 0.956 8 V CB 1.402 33.362 31.823 0.229 0.000 1.023 8 V HN 0.793 nan 8.190 nan 0.000 0.435 9 S N 1.342 117.182 115.700 0.233 0.000 2.569 9 S HA 0.230 4.700 4.470 -0.000 0.000 0.274 9 S C 0.041 174.757 174.600 0.193 0.000 1.353 9 S CA -0.127 58.190 58.200 0.194 0.000 1.023 9 S CB 0.199 63.508 63.200 0.182 0.000 0.876 9 S HN 0.919 nan 8.310 nan 0.000 0.540 10 E N 2.022 122.287 120.200 0.108 0.000 2.415 10 E HA 0.273 4.623 4.350 -0.000 0.000 0.262 10 E C -2.325 174.283 176.600 0.013 0.000 1.038 10 E CA -1.407 55.015 56.400 0.037 0.000 0.921 10 E CB -0.134 29.582 29.700 0.027 0.000 0.950 10 E HN 0.469 nan 8.360 nan 0.000 0.438 11 P HA -0.061 nan 4.420 nan 0.000 0.263 11 P C -0.789 176.497 177.300 -0.025 0.000 1.175 11 P CA 0.737 63.715 63.100 -0.204 0.000 0.761 11 P CB 0.399 31.998 31.700 -0.168 0.000 0.794 12 R N 1.066 121.606 120.500 0.067 0.000 2.774 12 R HA 0.343 4.683 4.340 -0.000 0.000 0.279 12 R C -1.413 174.974 176.300 0.144 0.000 1.022 12 R CA -0.935 55.231 56.100 0.111 0.000 0.855 12 R CB 0.814 31.188 30.300 0.124 0.000 1.279 12 R HN 0.339 nan 8.270 nan 0.000 0.485 13 E N 1.422 121.674 120.200 0.088 0.000 2.229 13 E HA 0.345 4.695 4.350 -0.000 0.000 0.283 13 E C -0.947 175.684 176.600 0.053 0.000 1.030 13 E CA -0.694 55.748 56.400 0.070 0.000 0.836 13 E CB 1.449 31.178 29.700 0.048 0.000 1.068 13 E HN 0.348 nan 8.360 nan 0.000 0.401 14 V N 4.083 124.021 119.914 0.041 0.000 2.427 14 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 14 V C 0.754 176.841 176.094 -0.012 0.000 1.034 14 V CA -0.517 61.777 62.300 -0.011 0.000 0.893 14 V CB 1.553 33.354 31.823 -0.037 0.000 0.982 14 V HN 0.811 nan 8.190 nan 0.000 0.452 15 G N 4.672 113.443 108.800 -0.049 0.000 2.476 15 G HA2 0.588 4.548 3.960 -0.000 0.000 0.269 15 G HA3 0.588 4.548 3.960 -0.000 0.000 0.269 15 G C -0.661 174.260 174.900 0.034 0.000 1.195 15 G CA -0.386 44.717 45.100 0.005 0.000 0.843 15 G HN 0.465 nan 8.290 nan 0.000 0.545 16 I N 0.655 121.313 120.570 0.147 0.000 2.509 16 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 16 I C -0.206 176.066 176.117 0.258 0.000 1.020 16 I CA -0.421 60.978 61.300 0.165 0.000 1.088 16 I CB 2.068 40.174 38.000 0.177 0.000 1.267 16 I HN 0.267 nan 8.210 nan 0.000 0.430 17 T N 4.532 119.169 114.554 0.139 0.000 2.772 17 T HA 0.221 4.571 4.350 -0.000 0.000 0.288 17 T C -0.107 174.504 174.700 -0.147 0.000 0.994 17 T CA -0.407 61.727 62.100 0.056 0.000 0.951 17 T CB 1.153 70.077 68.868 0.093 0.000 0.933 17 T HN 0.424 nan 8.240 nan 0.000 0.447 18 E N 2.956 122.880 120.200 -0.460 0.000 2.316 18 E HA 0.228 4.578 4.350 -0.000 0.000 0.275 18 E C 0.145 176.471 176.600 -0.457 0.000 1.029 18 E CA -0.159 55.850 56.400 -0.651 0.000 0.871 18 E CB 0.481 29.284 29.700 -1.496 0.000 1.022 18 E HN 0.546 nan 8.360 nan 0.000 0.418 19 L N 4.313 125.296 121.223 -0.400 0.000 2.693 19 L HA 0.145 4.485 4.340 -0.000 0.000 0.235 19 L C 1.837 178.486 176.870 -0.368 0.000 1.127 19 L CA -0.135 54.468 54.840 -0.396 0.000 0.914 19 L CB 0.171 41.889 42.059 -0.569 0.000 1.193 19 L HN 0.482 nan 8.230 nan 0.000 0.502 20 V N 0.931 120.627 119.914 -0.362 0.000 2.380 20 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 20 V C 2.103 178.029 176.094 -0.279 0.000 1.063 20 V CA 1.997 64.067 62.300 -0.384 0.000 1.055 20 V CB -0.070 31.442 31.823 -0.519 0.000 0.657 20 V HN 0.446 nan 8.190 nan 0.000 0.455 21 L N -0.858 120.230 121.223 -0.226 0.000 2.552 21 L HA 0.065 4.405 4.340 -0.000 0.000 0.227 21 L C 2.354 179.227 176.870 0.005 0.000 1.146 21 L CA 0.727 55.523 54.840 -0.074 0.000 0.858 21 L CB -0.347 41.527 42.059 -0.308 0.000 0.969 21 L HN 0.318 nan 8.230 nan 0.000 0.451 22 R N -0.569 119.783 120.500 -0.246 0.000 5.072 22 R HA -0.000 4.340 4.340 -0.000 0.000 0.116 22 R C 1.263 177.240 176.300 -0.537 0.000 1.152 22 R CA 0.477 56.363 56.100 -0.356 0.000 0.887 22 R CB -0.573 29.637 30.300 -0.149 0.000 1.367 22 R HN -0.079 nan 8.270 nan 0.000 0.403 23 D N 1.286 121.510 120.400 -0.292 0.000 2.144 23 D HA 0.021 4.661 4.640 -0.000 0.000 0.199 23 D C 1.584 177.858 176.300 -0.043 0.000 0.984 23 D CA 1.557 55.482 54.000 -0.126 0.000 0.834 23 D CB 0.038 40.842 40.800 0.006 0.000 0.955 23 D HN 0.379 nan 8.370 nan 0.000 0.465 24 A N 0.310 123.044 122.820 -0.143 0.000 1.873 24 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 24 A C 1.947 179.489 177.584 -0.070 0.000 1.193 24 A CA 2.388 54.406 52.037 -0.032 0.000 0.629 24 A CB -1.340 17.572 19.000 -0.148 0.000 0.826 24 A HN 0.613 nan 8.150 nan 0.000 0.447 25 H N -1.540 117.476 119.070 -0.090 0.000 2.502 25 H HA 0.099 4.655 4.556 -0.000 0.000 0.283 25 H C 1.847 177.141 175.328 -0.056 0.000 1.015 25 H CA 1.195 57.177 56.048 -0.110 0.000 1.298 25 H CB -0.472 29.186 29.762 -0.174 0.000 1.411 25 H HN 0.621 nan 8.280 nan 0.000 0.556 26 Q N 0.946 120.640 119.800 -0.177 0.000 2.123 26 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 26 Q C 1.449 177.464 176.000 0.024 0.000 0.966 26 Q CA 1.593 57.376 55.803 -0.032 0.000 0.845 26 Q CB 0.096 28.788 28.738 -0.077 0.000 0.907 26 Q HN 0.509 nan 8.270 nan 0.000 0.439 27 S N 0.037 115.754 115.700 0.028 0.000 2.446 27 S HA 0.071 4.541 4.470 -0.000 0.000 0.225 27 S C 1.647 176.258 174.600 0.019 0.000 1.016 27 S CA 0.512 58.735 58.200 0.038 0.000 0.943 27 S CB 0.168 63.386 63.200 0.029 0.000 0.786 27 S HN 0.343 nan 8.310 nan 0.000 0.508 28 L N 0.761 121.996 121.223 0.020 0.000 2.470 28 L HA 0.352 4.691 4.340 -0.000 0.000 0.219 28 L C 1.147 178.061 176.870 0.073 0.000 1.071 28 L CA 0.378 55.237 54.840 0.031 0.000 0.850 28 L CB 0.014 42.080 42.059 0.011 0.000 1.040 28 L HN 0.334 nan 8.230 nan 0.000 0.475 29 M N -1.384 118.262 119.600 0.077 0.000 3.637 29 M HA 0.521 5.001 4.480 -0.000 0.000 0.452 29 M C 0.346 176.658 176.300 0.019 0.000 1.718 29 M CA -0.388 54.983 55.300 0.120 0.000 0.690 29 M CB 0.689 33.351 32.600 0.104 0.000 1.448 29 M HN -0.028 nan 8.290 nan 0.000 0.524 30 A N 0.322 123.166 122.820 0.040 0.000 2.665 30 A HA -0.191 4.129 4.320 -0.000 0.000 0.301 30 A C 1.047 178.611 177.584 -0.033 0.000 1.509 30 A CA 1.381 53.415 52.037 -0.005 0.000 0.789 30 A CB -2.650 16.338 19.000 -0.020 0.000 1.024 30 A HN 1.147 nan 8.150 nan 0.000 0.460 31 T N -2.221 112.380 114.554 0.079 0.000 4.242 31 T HA -0.281 4.069 4.350 -0.000 0.000 0.327 31 T C 0.863 175.588 174.700 0.042 0.000 0.837 31 T CA 1.593 63.816 62.100 0.205 0.000 1.949 31 T CB -1.077 67.876 68.868 0.142 0.000 1.943 31 T HN 0.876 nan 8.240 nan 0.000 0.863 32 R N -0.631 119.786 120.500 -0.138 0.000 2.299 32 R HA 0.299 4.639 4.340 -0.000 0.000 0.197 32 R C 1.065 177.338 176.300 -0.045 0.000 0.971 32 R CA -0.046 55.927 56.100 -0.212 0.000 1.030 32 R CB -0.360 29.553 30.300 -0.645 0.000 0.932 32 R HN 0.571 nan 8.270 nan 0.000 0.477 33 M N 1.636 121.045 119.600 -0.320 0.000 2.408 33 M HA 0.003 4.483 4.480 -0.000 0.000 0.363 33 M C -0.234 175.983 176.300 -0.138 0.000 1.636 33 M CA -0.400 54.624 55.300 -0.460 0.000 1.029 33 M CB 0.242 32.260 32.600 -0.970 0.000 2.068 33 M HN 0.139 nan 8.290 nan 0.000 0.466 34 A N 5.734 128.635 122.820 0.135 0.000 2.425 34 A HA 0.311 4.630 4.320 -0.000 0.000 0.249 34 A C 0.939 178.571 177.584 0.080 0.000 1.084 34 A CA -0.554 51.550 52.037 0.112 0.000 0.781 34 A CB 0.239 19.338 19.000 0.166 0.000 1.019 34 A HN 1.035 nan 8.150 nan 0.000 0.490 35 M N 1.408 121.035 119.600 0.044 0.000 2.149 35 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 35 M C 1.806 178.142 176.300 0.060 0.000 1.064 35 M CA 2.530 57.846 55.300 0.027 0.000 1.102 35 M CB -0.736 31.829 32.600 -0.057 0.000 1.369 35 M HN 0.905 nan 8.290 nan 0.000 0.408 36 E N -1.799 118.441 120.200 0.065 0.000 2.338 36 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 36 E C 0.777 177.439 176.600 0.105 0.000 1.007 36 E CA 1.353 57.796 56.400 0.072 0.000 0.849 36 E CB -0.480 29.258 29.700 0.063 0.000 0.774 36 E HN 0.475 nan 8.360 nan 0.000 0.506 37 D N -0.185 120.299 120.400 0.139 0.000 2.340 37 D HA 0.110 4.750 4.640 -0.000 0.000 0.220 37 D C 1.440 177.875 176.300 0.226 0.000 1.039 37 D CA 0.523 54.623 54.000 0.166 0.000 0.866 37 D CB 0.295 41.228 40.800 0.221 0.000 0.913 37 D HN 0.364 nan 8.370 nan 0.000 0.523 38 M N -0.364 119.366 119.600 0.216 0.000 2.858 38 M HA -0.033 4.447 4.480 -0.000 0.000 0.255 38 M C 2.316 178.696 176.300 0.133 0.000 1.336 38 M CA 0.316 55.773 55.300 0.261 0.000 1.220 38 M CB 0.287 33.130 32.600 0.405 0.000 1.252 38 M HN -0.106 nan 8.290 nan 0.000 0.538 39 V N -0.864 119.138 119.914 0.147 0.000 2.370 39 V HA -0.142 3.978 4.120 -0.000 0.000 0.252 39 V C 1.948 178.031 176.094 -0.018 0.000 1.068 39 V CA 2.309 64.671 62.300 0.102 0.000 1.061 39 V CB -2.308 29.554 31.823 0.065 0.000 0.656 39 V HN 0.552 nan 8.190 nan 0.000 0.455 40 G N -0.589 108.166 108.800 -0.075 0.000 2.586 40 G HA2 0.117 4.077 3.960 -0.000 0.000 0.215 40 G HA3 0.117 4.077 3.960 -0.000 0.000 0.215 40 G C 1.315 175.961 174.900 -0.424 0.000 1.128 40 G CA 0.821 45.832 45.100 -0.149 0.000 0.774 40 G HN 1.057 nan 8.290 nan 0.000 0.543 41 A N -1.155 121.325 122.820 -0.565 0.000 2.324 41 A HA 0.298 4.618 4.320 -0.000 0.000 0.220 41 A C 2.173 179.671 177.584 -0.143 0.000 1.209 41 A CA 0.720 52.462 52.037 -0.492 0.000 0.918 41 A CB -0.334 18.258 19.000 -0.680 0.000 0.959 41 A HN 0.288 nan 8.150 nan 0.000 0.507 42 C N -0.339 118.920 119.300 -0.068 0.000 2.398 42 C HA -0.103 4.357 4.460 -0.000 0.000 0.276 42 C C 3.214 178.203 174.990 -0.001 0.000 1.222 42 C CA 1.347 60.364 59.018 -0.000 0.000 1.746 42 C CB -1.226 26.557 27.740 0.071 0.000 2.039 42 C HN 0.712 nan 8.230 nan 0.000 0.470 43 A N 0.695 123.511 122.820 -0.008 0.000 1.892 43 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 43 A C 1.830 179.417 177.584 0.004 0.000 1.188 43 A CA 2.379 54.416 52.037 -0.001 0.000 0.631 43 A CB -0.649 18.349 19.000 -0.004 0.000 0.822 43 A HN 0.605 nan 8.150 nan 0.000 0.447 44 D N -0.288 120.113 120.400 0.002 0.000 2.117 44 D HA -0.078 4.561 4.640 -0.000 0.000 0.198 44 D C 1.889 178.221 176.300 0.053 0.000 0.982 44 D CA 1.084 55.096 54.000 0.021 0.000 0.828 44 D CB -0.321 40.493 40.800 0.023 0.000 0.967 44 D HN 0.512 nan 8.370 nan 0.000 0.464 45 I N 0.927 121.547 120.570 0.083 0.000 2.286 45 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 45 I C 2.032 178.245 176.117 0.160 0.000 1.115 45 I CA 1.152 62.565 61.300 0.187 0.000 1.392 45 I CB -0.057 38.003 38.000 0.101 0.000 1.065 45 I HN -0.105 nan 8.210 nan 0.000 0.418 46 D N 0.669 121.106 120.400 0.062 0.000 2.178 46 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 46 D C 1.860 178.171 176.300 0.017 0.000 0.974 46 D CA 1.209 55.228 54.000 0.032 0.000 0.841 46 D CB 0.147 40.951 40.800 0.007 0.000 0.953 46 D HN 0.310 nan 8.370 nan 0.000 0.478 47 A N -0.656 122.167 122.820 0.006 0.000 2.308 47 A HA 0.557 4.877 4.320 -0.000 0.000 0.217 47 A C 1.935 179.480 177.584 -0.065 0.000 1.216 47 A CA 0.664 52.688 52.037 -0.022 0.000 0.864 47 A CB -0.111 18.880 19.000 -0.015 0.000 0.902 47 A HN 0.234 nan 8.150 nan 0.000 0.499 48 A N -0.737 122.024 122.820 -0.098 0.000 1.969 48 A HA 0.350 4.670 4.320 -0.000 0.000 0.218 48 A C 1.838 179.210 177.584 -0.354 0.000 1.169 48 A CA 1.577 53.447 52.037 -0.279 0.000 0.635 48 A CB -0.615 18.080 19.000 -0.507 0.000 0.810 48 A HN 1.790 nan 8.150 nan 0.000 0.445 49 G N -2.937 105.715 108.800 -0.247 0.000 2.135 49 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.183 49 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.183 49 G C -0.071 174.751 174.900 -0.131 0.000 1.004 49 G CA -0.090 44.907 45.100 -0.172 0.000 0.677 49 G HN 0.425 nan 8.290 nan 0.000 0.512 50 Y N -1.404 118.876 120.300 -0.034 0.000 2.357 50 Y HA 0.365 4.915 4.550 -0.000 0.000 0.340 50 Y C 1.520 177.430 175.900 0.017 0.000 1.260 50 Y CA 0.005 58.101 58.100 -0.007 0.000 1.425 50 Y CB 0.512 38.948 38.460 -0.039 0.000 1.326 50 Y HN 0.231 nan 8.280 nan 0.000 0.580 51 W N 1.707 123.070 121.300 0.106 0.000 2.409 51 W HA -0.010 4.650 4.660 -0.000 0.000 0.299 51 W C 0.193 176.708 176.519 -0.006 0.000 1.203 51 W CA 1.361 58.720 57.345 0.023 0.000 1.298 51 W CB 0.062 29.518 29.460 -0.006 0.000 1.127 51 W HN 0.455 nan 8.180 nan 0.000 0.528 52 S N -1.330 114.327 115.700 -0.072 0.000 2.625 52 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 52 S C -1.452 173.039 174.600 -0.182 0.000 1.161 52 S CA -1.032 56.995 58.200 -0.288 0.000 0.820 52 S CB 2.194 65.177 63.200 -0.363 0.000 1.137 52 S HN -0.099 nan 8.310 nan 0.000 0.470 53 V N 1.451 121.220 119.914 -0.241 0.000 2.380 53 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 53 V C -0.159 175.780 176.094 -0.259 0.000 1.015 53 V CA -0.491 61.630 62.300 -0.298 0.000 0.834 53 V CB 1.092 32.738 31.823 -0.295 0.000 1.009 53 V HN 0.981 nan 8.190 nan 0.000 0.428 54 E N 3.445 123.499 120.200 -0.243 0.000 2.265 54 E HA 0.164 4.514 4.350 -0.000 0.000 0.272 54 E C 0.449 176.930 176.600 -0.198 0.000 1.067 54 E CA 0.083 56.373 56.400 -0.183 0.000 0.900 54 E CB 0.641 30.239 29.700 -0.170 0.000 1.017 54 E HN 0.993 nan 8.360 nan 0.000 0.431 55 C N 3.322 122.549 119.300 -0.122 0.000 3.865 55 C HA 0.483 4.943 4.460 -0.000 0.000 0.297 55 C C -0.448 174.699 174.990 0.262 0.000 1.758 55 C CA -1.002 57.957 59.018 -0.099 0.000 1.778 55 C CB -1.215 26.247 27.740 -0.462 0.000 3.158 55 C HN 0.751 nan 8.230 nan 0.000 0.598 56 W N 0.581 121.870 121.300 -0.019 0.000 2.988 56 W HA 0.646 5.306 4.660 -0.000 0.000 0.355 56 W C 0.548 177.079 176.519 0.019 0.000 1.233 56 W CA 1.195 58.562 57.345 0.036 0.000 1.176 56 W CB 0.883 30.353 29.460 0.018 0.000 1.477 56 W HN 1.043 nan 8.180 nan 0.000 0.582 57 G N 1.089 109.678 108.800 -0.352 0.000 2.584 57 G HA2 0.371 4.331 3.960 -0.000 0.000 0.229 57 G HA3 0.371 4.331 3.960 -0.000 0.000 0.229 57 G C 0.688 175.498 174.900 -0.150 0.000 1.320 57 G CA 0.959 45.905 45.100 -0.256 0.000 0.891 57 G HN 2.316 nan 8.290 nan 0.000 0.573 58 G N -1.022 107.745 108.800 -0.054 0.000 2.611 58 G HA2 0.157 4.116 3.960 -0.000 0.000 0.301 58 G HA3 0.157 4.116 3.960 -0.000 0.000 0.301 58 G C 1.517 176.412 174.900 -0.010 0.000 1.233 58 G CA 2.599 47.691 45.100 -0.013 0.000 0.993 58 G HN 2.587 nan 8.290 nan 0.000 0.553 59 A N -0.414 122.407 122.820 0.002 0.000 2.275 59 A HA 0.460 4.780 4.320 -0.000 0.000 0.212 59 A C 2.355 179.939 177.584 -0.001 0.000 1.201 59 A CA 2.016 54.069 52.037 0.027 0.000 0.843 59 A CB -0.604 18.428 19.000 0.054 0.000 0.873 59 A HN 2.002 nan 8.150 nan 0.000 0.492 60 T N -3.596 110.933 114.554 -0.041 0.000 2.867 60 T HA -0.217 4.132 4.350 -0.000 0.000 0.268 60 T C 1.708 176.315 174.700 -0.155 0.000 1.057 60 T CA 1.488 63.556 62.100 -0.052 0.000 1.136 60 T CB -0.592 68.257 68.868 -0.030 0.000 0.874 60 T HN 0.443 nan 8.240 nan 0.000 0.466 61 Y N 2.419 122.513 120.300 -0.342 0.000 2.089 61 Y HA -0.162 4.388 4.550 -0.000 0.000 0.282 61 Y C 2.557 178.198 175.900 -0.432 0.000 1.139 61 Y CA 2.026 59.898 58.100 -0.380 0.000 1.123 61 Y CB -0.437 37.846 38.460 -0.295 0.000 0.980 61 Y HN 0.249 nan 8.280 nan 0.000 0.493 62 D N -1.033 119.239 120.400 -0.214 0.000 2.106 62 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 62 D C 2.307 178.331 176.300 -0.459 0.000 0.997 62 D CA 1.864 55.502 54.000 -0.603 0.000 0.834 62 D CB -0.214 40.397 40.800 -0.315 0.000 0.956 62 D HN 0.409 nan 8.370 nan 0.000 0.448 63 S N -0.715 114.858 115.700 -0.211 0.000 2.359 63 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 63 S C 2.431 176.936 174.600 -0.157 0.000 1.035 63 S CA 1.476 59.636 58.200 -0.066 0.000 1.018 63 S CB -0.642 62.608 63.200 0.084 0.000 0.876 63 S HN 0.504 nan 8.310 nan 0.000 0.448 64 C N 1.789 120.948 119.300 -0.234 0.000 2.398 64 C HA -0.090 4.370 4.460 -0.000 0.000 0.276 64 C C 2.504 177.236 174.990 -0.430 0.000 1.222 64 C CA 1.128 59.977 59.018 -0.281 0.000 1.746 64 C CB -1.533 26.001 27.740 -0.343 0.000 2.039 64 C HN 0.838 nan 8.230 nan 0.000 0.470 65 I N -0.945 119.233 120.570 -0.653 0.000 2.716 65 I HA 0.004 4.174 4.170 -0.000 0.000 0.259 65 I C 2.568 178.378 176.117 -0.512 0.000 1.172 65 I CA 1.297 62.072 61.300 -0.875 0.000 1.478 65 I CB -0.666 36.721 38.000 -1.022 0.000 1.104 65 I HN 0.206 nan 8.210 nan 0.000 0.439 66 R N 0.706 120.874 120.500 -0.553 0.000 2.100 66 R HA 0.095 4.435 4.340 -0.000 0.000 0.220 66 R C 1.658 177.622 176.300 -0.560 0.000 1.091 66 R CA 1.336 57.057 56.100 -0.632 0.000 0.986 66 R CB 0.014 29.720 30.300 -0.990 0.000 0.888 66 R HN 0.428 nan 8.270 nan 0.000 0.444 67 F N -1.032 118.865 119.950 -0.088 0.000 2.637 67 F HA 0.188 4.715 4.527 -0.000 0.000 0.284 67 F C 1.501 177.295 175.800 -0.010 0.000 1.105 67 F CA -0.238 57.741 58.000 -0.034 0.000 1.356 67 F CB 0.469 39.441 39.000 -0.047 0.000 1.096 67 F HN -0.133 nan 8.300 nan 0.000 0.616 68 L N -0.198 121.096 121.223 0.119 0.000 2.640 68 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 68 L C 0.235 177.122 176.870 0.028 0.000 1.123 68 L CA -0.001 54.887 54.840 0.080 0.000 0.900 68 L CB -0.537 41.544 42.059 0.037 0.000 1.146 68 L HN 0.190 nan 8.230 nan 0.000 0.484 69 N N 2.015 120.743 118.700 0.046 0.000 2.725 69 N HA -0.269 4.471 4.740 -0.000 0.000 0.251 69 N C -0.052 175.583 175.510 0.207 0.000 1.031 69 N CA 0.610 53.764 53.050 0.173 0.000 0.720 69 N CB -0.621 37.878 38.487 0.020 0.000 0.930 69 N HN 0.625 nan 8.380 nan 0.000 0.543 70 E N 0.023 120.270 120.200 0.078 0.000 2.222 70 E HA 0.235 4.585 4.350 -0.000 0.000 0.267 70 E C -1.521 175.067 176.600 -0.020 0.000 0.884 70 E CA -0.905 55.535 56.400 0.067 0.000 0.764 70 E CB 0.870 30.548 29.700 -0.036 0.000 1.169 70 E HN 0.276 nan 8.360 nan 0.000 0.413 71 D N 4.860 125.398 120.400 0.230 0.000 2.316 71 D HA 0.144 4.784 4.640 -0.000 0.000 0.245 71 D C -1.834 174.489 176.300 0.039 0.000 1.171 71 D CA -2.221 51.925 54.000 0.245 0.000 0.856 71 D CB 1.718 42.790 40.800 0.455 0.000 1.090 71 D HN 0.249 nan 8.370 nan 0.000 0.476 72 P HA -0.110 nan 4.420 nan 0.000 0.216 72 P C 0.993 178.364 177.300 0.118 0.000 1.153 72 P CA 1.233 64.243 63.100 -0.149 0.000 0.858 72 P CB 0.031 31.248 31.700 -0.806 0.000 0.789 73 W N -0.180 121.255 121.300 0.226 0.000 2.374 73 W HA -0.094 4.566 4.660 -0.000 0.000 0.288 73 W C 2.421 178.939 176.519 -0.003 0.000 1.218 73 W CA 0.732 58.148 57.345 0.118 0.000 1.245 73 W CB -0.769 28.768 29.460 0.127 0.000 1.126 73 W HN -0.007 nan 8.180 nan 0.000 0.545 74 E N 0.827 121.150 120.200 0.204 0.000 2.152 74 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 74 E C 2.141 178.716 176.600 -0.042 0.000 0.983 74 E CA 1.155 57.600 56.400 0.076 0.000 0.818 74 E CB -0.224 29.523 29.700 0.078 0.000 0.758 74 E HN 0.189 nan 8.360 nan 0.000 0.467 75 R N -0.189 120.278 120.500 -0.056 0.000 2.075 75 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 75 R C 2.249 178.374 176.300 -0.291 0.000 1.126 75 R CA 1.384 57.351 56.100 -0.221 0.000 0.963 75 R CB -0.422 29.824 30.300 -0.090 0.000 0.858 75 R HN 0.305 nan 8.270 nan 0.000 0.435 76 L N 1.269 122.348 121.223 -0.241 0.000 2.046 76 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 76 L C 2.217 178.953 176.870 -0.222 0.000 1.077 76 L CA 1.754 56.319 54.840 -0.459 0.000 0.747 76 L CB -0.393 41.028 42.059 -1.064 0.000 0.896 76 L HN 0.104 nan 8.230 nan 0.000 0.432 77 R N -1.220 119.199 120.500 -0.136 0.000 2.096 77 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 77 R C 2.061 178.322 176.300 -0.065 0.000 1.127 77 R CA 1.836 57.893 56.100 -0.072 0.000 0.968 77 R CB -0.640 29.645 30.300 -0.025 0.000 0.861 77 R HN 0.441 nan 8.270 nan 0.000 0.440 78 T N 0.580 115.067 114.554 -0.112 0.000 2.737 78 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 78 T C 1.558 176.248 174.700 -0.017 0.000 1.038 78 T CA 1.202 63.238 62.100 -0.106 0.000 1.144 78 T CB -0.290 68.460 68.868 -0.197 0.000 0.866 78 T HN 0.179 nan 8.240 nan 0.000 0.434 79 F N 1.139 121.062 119.950 -0.046 0.000 2.126 79 F HA -0.132 4.394 4.527 -0.000 0.000 0.299 79 F C 2.817 178.578 175.800 -0.066 0.000 1.096 79 F CA 0.732 58.702 58.000 -0.049 0.000 1.255 79 F CB -0.117 38.850 39.000 -0.054 0.000 0.997 79 F HN -0.007 nan 8.300 nan 0.000 0.479 80 R N 1.349 121.909 120.500 0.101 0.000 2.091 80 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 80 R C 1.972 178.282 176.300 0.017 0.000 1.136 80 R CA 1.728 57.838 56.100 0.017 0.000 0.959 80 R CB -0.507 29.775 30.300 -0.029 0.000 0.856 80 R HN 0.160 nan 8.270 nan 0.000 0.437 81 K N -0.251 120.161 120.400 0.020 0.000 2.031 81 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 81 K C 1.897 178.512 176.600 0.026 0.000 1.049 81 K CA 1.302 57.597 56.287 0.013 0.000 0.939 81 K CB -0.057 32.445 32.500 0.002 0.000 0.717 81 K HN 0.228 nan 8.250 nan 0.000 0.438 82 L N 0.307 121.563 121.223 0.055 0.000 2.376 82 L HA -0.006 4.334 4.340 -0.000 0.000 0.219 82 L C 0.896 177.795 176.870 0.048 0.000 1.133 82 L CA 0.610 55.487 54.840 0.062 0.000 0.816 82 L CB 0.063 42.186 42.059 0.106 0.000 0.933 82 L HN 0.234 nan 8.230 nan 0.000 0.449 83 M N 0.200 119.824 119.600 0.041 0.000 2.693 83 M HA 0.202 4.682 4.480 -0.000 0.000 0.224 83 M C -1.767 174.526 176.300 -0.013 0.000 1.149 83 M CA -1.130 54.173 55.300 0.005 0.000 0.622 83 M CB 1.330 33.917 32.600 -0.021 0.000 1.443 83 M HN -0.231 nan 8.290 nan 0.000 0.431 84 P HA -0.124 nan 4.420 nan 0.000 0.220 84 P C 0.335 177.618 177.300 -0.030 0.000 1.148 84 P CA 1.454 64.544 63.100 -0.018 0.000 0.803 84 P CB 0.140 31.834 31.700 -0.011 0.000 0.782 85 N N -0.642 118.039 118.700 -0.031 0.000 2.336 85 N HA 0.051 4.791 4.740 -0.000 0.000 0.189 85 N C 0.403 175.877 175.510 -0.061 0.000 1.113 85 N CA 0.344 53.371 53.050 -0.039 0.000 0.858 85 N CB 0.218 38.687 38.487 -0.029 0.000 0.970 85 N HN 0.124 nan 8.380 nan 0.000 0.471 86 S N 0.403 116.060 115.700 -0.071 0.000 2.608 86 S HA 0.366 4.836 4.470 -0.000 0.000 0.291 86 S C 0.365 174.870 174.600 -0.158 0.000 1.146 86 S CA -0.686 57.448 58.200 -0.109 0.000 1.043 86 S CB 1.929 65.073 63.200 -0.092 0.000 1.037 86 S HN 0.058 nan 8.310 nan 0.000 0.520 87 R N 1.922 122.276 120.500 -0.243 0.000 2.248 87 R HA 0.270 4.610 4.340 -0.000 0.000 0.337 87 R C -0.569 175.562 176.300 -0.281 0.000 1.085 87 R CA -0.109 55.804 56.100 -0.312 0.000 0.934 87 R CB -0.084 29.878 30.300 -0.563 0.000 1.034 87 R HN 0.471 nan 8.270 nan 0.000 0.465 88 L N 2.612 123.706 121.223 -0.215 0.000 2.395 88 L HA 0.282 4.621 4.340 -0.000 0.000 0.269 88 L C 0.361 177.100 176.870 -0.218 0.000 1.133 88 L CA -0.121 54.599 54.840 -0.201 0.000 0.812 88 L CB 0.729 42.691 42.059 -0.162 0.000 1.125 88 L HN 0.506 nan 8.230 nan 0.000 0.452 89 Q N 3.036 122.723 119.800 -0.188 0.000 2.423 89 Q HA 0.730 5.070 4.340 -0.000 0.000 0.278 89 Q C -1.141 174.796 176.000 -0.104 0.000 1.097 89 Q CA -0.786 54.919 55.803 -0.163 0.000 0.809 89 Q CB 2.838 31.502 28.738 -0.123 0.000 1.391 89 Q HN 0.677 nan 8.270 nan 0.000 0.428 90 M N 1.232 120.775 119.600 -0.096 0.000 2.618 90 M HA 0.596 5.076 4.480 -0.000 0.000 0.281 90 M C -2.048 174.268 176.300 0.028 0.000 1.267 90 M CA -1.165 54.141 55.300 0.011 0.000 0.845 90 M CB 1.838 34.505 32.600 0.112 0.000 1.732 90 M HN 0.554 nan 8.290 nan 0.000 0.461 91 L N 2.692 123.942 121.223 0.046 0.000 2.305 91 L HA 0.754 5.093 4.340 -0.000 0.000 0.284 91 L C -2.000 174.964 176.870 0.156 0.000 1.013 91 L CA -0.545 54.334 54.840 0.065 0.000 0.819 91 L CB 1.670 43.709 42.059 -0.033 0.000 1.227 91 L HN 0.794 nan 8.230 nan 0.000 0.417 92 L N 5.130 126.505 121.223 0.253 0.000 2.376 92 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 92 L C -0.182 176.783 176.870 0.158 0.000 0.987 92 L CA -0.386 54.568 54.840 0.191 0.000 0.828 92 L CB 1.487 43.693 42.059 0.245 0.000 1.249 92 L HN 0.720 nan 8.230 nan 0.000 0.409 93 R N 4.439 124.921 120.500 -0.030 0.000 3.710 93 R HA 0.429 4.769 4.340 -0.000 0.000 0.201 93 R C 1.013 177.058 176.300 -0.426 0.000 1.641 93 R CA 0.775 56.572 56.100 -0.505 0.000 1.390 93 R CB -0.681 29.323 30.300 -0.493 0.000 1.341 93 R HN 0.994 nan 8.270 nan 0.000 0.728 94 G N 1.834 110.458 108.800 -0.294 0.000 2.684 94 G HA2 -0.481 3.479 3.960 -0.000 0.000 0.342 94 G HA3 -0.481 3.479 3.960 -0.000 0.000 0.342 94 G C 0.612 175.389 174.900 -0.205 0.000 1.316 94 G CA 0.761 45.732 45.100 -0.215 0.000 0.994 94 G HN 0.582 nan 8.290 nan 0.000 0.541 95 Q N 0.382 120.021 119.800 -0.268 0.000 2.439 95 Q HA 0.034 4.374 4.340 -0.000 0.000 0.211 95 Q C 2.226 178.093 176.000 -0.222 0.000 0.978 95 Q CA 2.026 57.682 55.803 -0.244 0.000 0.897 95 Q CB -0.361 28.157 28.738 -0.366 0.000 0.956 95 Q HN 0.617 nan 8.270 nan 0.000 0.483 96 N N -1.319 117.207 118.700 -0.290 0.000 2.353 96 N HA 0.172 4.912 4.740 -0.000 0.000 0.185 96 N C 0.039 175.494 175.510 -0.091 0.000 1.098 96 N CA 0.289 53.243 53.050 -0.159 0.000 0.872 96 N CB 0.275 38.649 38.487 -0.188 0.000 0.970 96 N HN 0.099 nan 8.380 nan 0.000 0.467 97 L N -1.269 119.835 121.223 -0.197 0.000 6.223 97 L HA -0.373 3.967 4.340 -0.000 0.000 0.053 97 L C 0.425 177.068 176.870 -0.377 0.000 2.244 97 L CA 1.177 55.780 54.840 -0.395 0.000 1.647 97 L CB -0.791 40.901 42.059 -0.612 0.000 2.769 97 L HN 0.096 nan 8.230 nan 0.000 1.016 98 L N 0.129 121.041 121.223 -0.519 0.000 2.965 98 L HA 0.332 4.672 4.340 -0.000 0.000 0.254 98 L C 0.843 177.589 176.870 -0.207 0.000 1.220 98 L CA 0.295 54.944 54.840 -0.318 0.000 1.023 98 L CB 0.282 42.092 42.059 -0.415 0.000 1.355 98 L HN 0.552 nan 8.230 nan 0.000 0.545 99 G N -0.842 107.823 108.800 -0.225 0.000 2.702 99 G HA2 0.150 4.109 3.960 -0.000 0.000 0.254 99 G HA3 0.150 4.109 3.960 -0.000 0.000 0.254 99 G C 0.052 174.905 174.900 -0.079 0.000 1.380 99 G CA -0.254 44.711 45.100 -0.224 0.000 1.042 99 G HN 0.243 nan 8.290 nan 0.000 0.557 100 Y N -1.100 119.113 120.300 -0.145 0.000 2.462 100 Y HA 0.455 5.005 4.550 -0.000 0.000 0.261 100 Y C 0.926 176.770 175.900 -0.094 0.000 1.146 100 Y CA -0.452 57.596 58.100 -0.087 0.000 1.283 100 Y CB 0.042 38.445 38.460 -0.095 0.000 1.090 100 Y HN 0.494 nan 8.280 nan 0.000 0.526 101 R N -1.114 118.888 120.500 -0.830 0.000 2.781 101 R HA 0.389 4.729 4.340 -0.000 0.000 0.269 101 R C -1.287 174.602 176.300 -0.684 0.000 1.025 101 R CA -0.878 54.810 56.100 -0.687 0.000 0.914 101 R CB 0.857 30.605 30.300 -0.920 0.000 1.236 101 R HN 0.168 nan 8.270 nan 0.000 0.465 102 H N 0.041 118.770 119.070 -0.567 0.000 2.771 102 H HA 0.136 4.692 4.556 -0.000 0.000 0.364 102 H C -0.698 174.266 175.328 -0.608 0.000 1.133 102 H CA 0.302 56.105 56.048 -0.409 0.000 1.423 102 H CB 0.641 30.257 29.762 -0.244 0.000 1.425 102 H HN 0.346 nan 8.280 nan 0.000 0.606 103 Y N 0.006 120.276 120.300 -0.050 0.000 2.598 103 Y HA 0.062 4.612 4.550 -0.000 0.000 0.340 103 Y C 0.767 176.662 175.900 -0.009 0.000 1.038 103 Y CA -1.012 57.057 58.100 -0.050 0.000 1.100 103 Y CB 0.936 39.361 38.460 -0.058 0.000 1.281 103 Y HN 0.630 nan 8.280 nan 0.000 0.488 104 N N 1.340 120.149 118.700 0.181 0.000 2.479 104 N HA -0.093 4.646 4.740 -0.000 0.000 0.257 104 N C 0.242 175.813 175.510 0.102 0.000 1.232 104 N CA 0.154 53.264 53.050 0.099 0.000 0.920 104 N CB 0.847 39.394 38.487 0.101 0.000 1.105 104 N HN 0.749 nan 8.380 nan 0.000 0.444 105 D N 2.033 122.434 120.400 0.002 0.000 2.149 105 D HA -0.283 4.356 4.640 -0.000 0.000 0.194 105 D C 1.527 177.902 176.300 0.125 0.000 1.001 105 D CA 1.678 55.665 54.000 -0.022 0.000 0.849 105 D CB -0.085 40.425 40.800 -0.482 0.000 0.939 105 D HN 0.838 nan 8.370 nan 0.000 0.449 106 E N 0.875 121.124 120.200 0.081 0.000 2.209 106 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 106 E C 2.032 178.670 176.600 0.064 0.000 0.993 106 E CA 1.105 57.545 56.400 0.066 0.000 0.819 106 E CB -0.255 29.475 29.700 0.050 0.000 0.745 106 E HN 0.142 nan 8.360 nan 0.000 0.477 107 V N 1.239 121.242 119.914 0.147 0.000 2.379 107 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 107 V C 2.526 178.701 176.094 0.136 0.000 1.044 107 V CA 1.299 63.701 62.300 0.169 0.000 1.036 107 V CB -0.216 31.700 31.823 0.155 0.000 0.664 107 V HN 0.186 nan 8.190 nan 0.000 0.453 108 V N 0.516 120.518 119.914 0.147 0.000 2.255 108 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 108 V C 2.386 178.558 176.094 0.130 0.000 1.051 108 V CA 2.373 64.764 62.300 0.152 0.000 1.018 108 V CB -0.749 31.195 31.823 0.203 0.000 0.641 108 V HN 0.578 nan 8.190 nan 0.000 0.445 109 D N -0.358 120.098 120.400 0.092 0.000 2.106 109 D HA -0.189 4.451 4.640 -0.000 0.000 0.191 109 D C 2.403 178.686 176.300 -0.029 0.000 0.997 109 D CA 1.285 55.285 54.000 0.000 0.000 0.834 109 D CB -0.325 40.480 40.800 0.008 0.000 0.956 109 D HN 0.282 nan 8.370 nan 0.000 0.448 110 R N -0.077 120.379 120.500 -0.074 0.000 2.083 110 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 110 R C 2.378 178.696 176.300 0.030 0.000 1.137 110 R CA 0.557 56.560 56.100 -0.162 0.000 0.951 110 R CB -0.992 29.036 30.300 -0.453 0.000 0.851 110 R HN 0.278 nan 8.270 nan 0.000 0.434 111 F N 1.064 121.059 119.950 0.076 0.000 2.102 111 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 111 F C 2.293 178.269 175.800 0.292 0.000 1.105 111 F CA 1.276 59.426 58.000 0.250 0.000 1.239 111 F CB -0.272 38.852 39.000 0.206 0.000 0.991 111 F HN -0.278 nan 8.300 nan 0.000 0.474 112 V N 0.748 120.878 119.914 0.359 0.000 2.261 112 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 112 V C 2.392 178.524 176.094 0.063 0.000 1.047 112 V CA 2.333 64.755 62.300 0.204 0.000 1.015 112 V CB -0.814 30.988 31.823 -0.035 0.000 0.642 112 V HN 0.494 nan 8.190 nan 0.000 0.446 113 D N 0.026 120.424 120.400 -0.002 0.000 2.106 113 D HA -0.251 4.389 4.640 -0.000 0.000 0.191 113 D C 2.097 178.391 176.300 -0.009 0.000 0.997 113 D CA 1.414 55.394 54.000 -0.033 0.000 0.834 113 D CB 0.006 40.762 40.800 -0.073 0.000 0.956 113 D HN 0.239 nan 8.370 nan 0.000 0.448 114 K N 0.445 120.823 120.400 -0.036 0.000 2.211 114 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 114 K C 2.340 179.009 176.600 0.116 0.000 1.050 114 K CA 0.305 56.545 56.287 -0.078 0.000 0.945 114 K CB -0.196 32.117 32.500 -0.312 0.000 0.732 114 K HN 0.101 nan 8.250 nan 0.000 0.451 115 S N 0.720 116.542 115.700 0.202 0.000 2.371 115 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 115 S C 2.035 176.768 174.600 0.223 0.000 1.029 115 S CA 1.062 59.410 58.200 0.247 0.000 0.978 115 S CB -0.016 63.432 63.200 0.413 0.000 0.833 115 S HN 0.416 nan 8.310 nan 0.000 0.466 116 A N 1.397 124.392 122.820 0.293 0.000 1.897 116 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 116 A C 1.979 179.620 177.584 0.095 0.000 1.181 116 A CA 1.429 53.612 52.037 0.243 0.000 0.620 116 A CB -0.586 18.518 19.000 0.173 0.000 0.821 116 A HN 0.542 nan 8.150 nan 0.000 0.443 117 E N 0.093 120.326 120.200 0.055 0.000 2.118 117 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 117 E C 0.985 177.586 176.600 0.001 0.000 0.992 117 E CA 1.262 57.667 56.400 0.009 0.000 0.804 117 E CB -0.105 29.582 29.700 -0.022 0.000 0.741 117 E HN 0.558 nan 8.360 nan 0.000 0.458 118 N N -1.043 117.664 118.700 0.012 0.000 2.383 118 N HA 0.016 4.755 4.740 -0.000 0.000 0.192 118 N C 0.655 176.127 175.510 -0.064 0.000 1.141 118 N CA 0.904 53.946 53.050 -0.014 0.000 0.851 118 N CB 1.358 39.868 38.487 0.039 0.000 0.976 118 N HN 0.349 nan 8.380 nan 0.000 0.465 119 G N 0.475 109.248 108.800 -0.046 0.000 2.205 119 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.180 119 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.180 119 G C 0.016 174.862 174.900 -0.089 0.000 1.004 119 G CA -0.278 44.783 45.100 -0.063 0.000 0.670 119 G HN 0.214 nan 8.290 nan 0.000 0.496 120 M N 2.406 121.940 119.600 -0.110 0.000 2.219 120 M HA 0.463 4.943 4.480 -0.000 0.000 0.353 120 M C 0.805 177.055 176.300 -0.084 0.000 1.304 120 M CA -0.152 55.022 55.300 -0.211 0.000 1.115 120 M CB 0.558 32.919 32.600 -0.399 0.000 1.664 120 M HN 0.135 nan 8.290 nan 0.000 0.459 121 D N 3.012 123.333 120.400 -0.133 0.000 2.431 121 D HA 0.124 4.764 4.640 -0.000 0.000 0.235 121 D C -0.314 176.035 176.300 0.082 0.000 0.980 121 D CA 0.748 54.749 54.000 0.001 0.000 0.912 121 D CB 0.464 41.216 40.800 -0.081 0.000 1.056 121 D HN 0.387 nan 8.370 nan 0.000 0.494 122 V N 2.094 121.956 119.914 -0.086 0.000 2.384 122 V HA 0.268 4.388 4.120 -0.000 0.000 0.287 122 V C -0.938 175.146 176.094 -0.015 0.000 1.020 122 V CA -0.592 61.734 62.300 0.044 0.000 0.850 122 V CB 1.254 33.013 31.823 -0.107 0.000 0.987 122 V HN -0.084 nan 8.190 nan 0.000 0.436 123 F N 4.072 124.126 119.950 0.172 0.000 2.308 123 F HA 0.489 5.016 4.527 -0.000 0.000 0.370 123 F C 0.695 176.598 175.800 0.171 0.000 1.100 123 F CA -0.604 57.499 58.000 0.171 0.000 1.108 123 F CB 0.958 40.059 39.000 0.168 0.000 1.293 123 F HN 0.356 nan 8.300 nan 0.000 0.478 124 R N 3.636 124.283 120.500 0.246 0.000 2.272 124 R HA 0.476 4.816 4.340 -0.000 0.000 0.334 124 R C -1.295 175.156 176.300 0.252 0.000 1.117 124 R CA -0.183 56.038 56.100 0.202 0.000 0.966 124 R CB 0.280 30.631 30.300 0.084 0.000 1.049 124 R HN 0.455 nan 8.270 nan 0.000 0.477 125 V N 6.998 127.065 119.914 0.255 0.000 2.439 125 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 125 V C -0.193 176.067 176.094 0.275 0.000 1.039 125 V CA -0.364 62.078 62.300 0.237 0.000 0.913 125 V CB 0.782 32.697 31.823 0.153 0.000 0.983 125 V HN 0.707 nan 8.190 nan 0.000 0.460 126 F N 1.842 121.810 119.950 0.031 0.000 2.662 126 F HA 0.838 5.365 4.527 -0.000 0.000 0.312 126 F C -1.339 174.467 175.800 0.010 0.000 1.113 126 F CA -1.096 56.918 58.000 0.023 0.000 0.951 126 F CB 2.103 41.114 39.000 0.017 0.000 1.344 126 F HN 0.452 nan 8.300 nan 0.000 0.462 127 D N 1.442 121.711 120.400 -0.218 0.000 2.757 127 D HA 0.578 5.218 4.640 -0.000 0.000 0.249 127 D C 0.517 176.768 176.300 -0.082 0.000 1.168 127 D CA -0.212 53.590 54.000 -0.329 0.000 0.870 127 D CB 2.371 43.094 40.800 -0.128 0.000 1.411 127 D HN 0.896 nan 8.370 nan 0.000 0.525 128 A N 4.026 126.772 122.820 -0.123 0.000 2.024 128 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 128 A C 1.706 179.345 177.584 0.092 0.000 1.164 128 A CA 1.206 53.301 52.037 0.096 0.000 0.643 128 A CB -0.372 18.661 19.000 0.054 0.000 0.806 128 A HN 0.691 nan 8.150 nan 0.000 0.451 129 M N -1.888 117.752 119.600 0.066 0.000 2.509 129 M HA 0.097 4.577 4.480 -0.000 0.000 0.250 129 M C 0.211 176.578 176.300 0.111 0.000 1.132 129 M CA 0.362 55.712 55.300 0.083 0.000 1.080 129 M CB -0.655 31.992 32.600 0.079 0.000 1.408 129 M HN 0.467 nan 8.290 nan 0.000 0.484 130 N N 1.491 120.259 118.700 0.114 0.000 2.818 130 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 130 N C -0.362 175.205 175.510 0.095 0.000 1.108 130 N CA 0.599 53.730 53.050 0.135 0.000 0.745 130 N CB -1.254 37.349 38.487 0.193 0.000 1.104 130 N HN 0.394 nan 8.380 nan 0.000 0.557 131 D N 0.500 120.939 120.400 0.065 0.000 2.365 131 D HA 0.236 4.876 4.640 -0.000 0.000 0.237 131 D C -1.450 174.869 176.300 0.032 0.000 1.190 131 D CA -1.824 52.204 54.000 0.046 0.000 0.867 131 D CB 1.038 41.865 40.800 0.044 0.000 1.050 131 D HN 0.077 nan 8.370 nan 0.000 0.491 132 P HA -0.093 nan 4.420 nan 0.000 0.219 132 P C 1.137 178.446 177.300 0.015 0.000 1.146 132 P CA 0.931 64.048 63.100 0.027 0.000 0.808 132 P CB 0.303 32.019 31.700 0.027 0.000 0.779 133 R N -0.670 119.837 120.500 0.012 0.000 2.096 133 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 133 R C 1.771 178.074 176.300 0.005 0.000 1.127 133 R CA 1.167 57.272 56.100 0.009 0.000 0.968 133 R CB -0.801 29.502 30.300 0.005 0.000 0.861 133 R HN 0.245 nan 8.270 nan 0.000 0.440 134 N N 0.265 118.961 118.700 -0.007 0.000 2.520 134 N HA -0.083 4.656 4.740 -0.000 0.000 0.185 134 N C 1.434 176.901 175.510 -0.072 0.000 1.068 134 N CA 1.144 54.160 53.050 -0.057 0.000 0.911 134 N CB 0.120 38.549 38.487 -0.097 0.000 0.961 134 N HN 0.339 nan 8.380 nan 0.000 0.446 135 M N -0.636 118.946 119.600 -0.031 0.000 2.567 135 M HA 0.195 4.675 4.480 -0.000 0.000 0.261 135 M C 2.115 178.418 176.300 0.005 0.000 1.180 135 M CA 0.043 55.332 55.300 -0.019 0.000 1.143 135 M CB 0.136 32.739 32.600 0.005 0.000 1.319 135 M HN 0.004 nan 8.290 nan 0.000 0.490 136 A N 0.444 123.275 122.820 0.018 0.000 1.896 136 A HA -0.290 4.029 4.320 -0.000 0.000 0.220 136 A C 1.867 179.483 177.584 0.054 0.000 1.206 136 A CA 2.540 54.596 52.037 0.032 0.000 0.647 136 A CB -1.109 17.913 19.000 0.037 0.000 0.828 136 A HN 0.527 nan 8.150 nan 0.000 0.455 137 H N -0.569 118.485 119.070 -0.027 0.000 2.363 137 H HA 0.175 4.731 4.556 -0.000 0.000 0.301 137 H C 2.259 177.570 175.328 -0.029 0.000 1.074 137 H CA 1.582 57.614 56.048 -0.026 0.000 1.354 137 H CB -0.368 29.382 29.762 -0.021 0.000 1.397 137 H HN 0.411 nan 8.280 nan 0.000 0.516 138 A N 0.945 123.727 122.820 -0.064 0.000 1.883 138 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 138 A C 2.415 179.919 177.584 -0.134 0.000 1.186 138 A CA 1.882 53.859 52.037 -0.100 0.000 0.624 138 A CB -0.599 18.389 19.000 -0.021 0.000 0.822 138 A HN 0.400 nan 8.150 nan 0.000 0.444 139 M N -0.490 119.064 119.600 -0.077 0.000 2.082 139 M HA -0.244 4.236 4.480 -0.000 0.000 0.258 139 M C 2.615 178.842 176.300 -0.121 0.000 1.071 139 M CA 1.964 57.223 55.300 -0.068 0.000 1.103 139 M CB -1.416 31.167 32.600 -0.028 0.000 1.307 139 M HN 0.505 nan 8.290 nan 0.000 0.409 140 A N 0.262 123.003 122.820 -0.132 0.000 1.917 140 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 140 A C 2.424 179.886 177.584 -0.203 0.000 1.182 140 A CA 2.532 54.484 52.037 -0.143 0.000 0.633 140 A CB -1.034 17.896 19.000 -0.117 0.000 0.819 140 A HN 0.569 nan 8.150 nan 0.000 0.448 141 A N -0.757 121.879 122.820 -0.307 0.000 1.908 141 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 141 A C 2.242 179.665 177.584 -0.268 0.000 1.181 141 A CA 1.871 53.728 52.037 -0.300 0.000 0.627 141 A CB -0.930 17.867 19.000 -0.337 0.000 0.818 141 A HN 0.432 nan 8.150 nan 0.000 0.445 142 V N 0.304 120.033 119.914 -0.307 0.000 2.358 142 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 142 V C 2.529 178.494 176.094 -0.215 0.000 1.047 142 V CA 2.093 64.154 62.300 -0.398 0.000 1.035 142 V CB -0.550 31.033 31.823 -0.400 0.000 0.658 142 V HN 0.417 nan 8.190 nan 0.000 0.452 143 K N 0.454 120.765 120.400 -0.147 0.000 2.057 143 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 143 K C 2.100 178.649 176.600 -0.086 0.000 1.049 143 K CA 1.385 57.615 56.287 -0.094 0.000 0.931 143 K CB -0.515 31.938 32.500 -0.079 0.000 0.714 143 K HN 0.417 nan 8.250 nan 0.000 0.440 144 K N 0.887 121.225 120.400 -0.103 0.000 2.103 144 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 144 K C 1.692 178.247 176.600 -0.076 0.000 1.048 144 K CA 1.407 57.643 56.287 -0.084 0.000 0.930 144 K CB -0.059 32.384 32.500 -0.095 0.000 0.716 144 K HN 0.082 nan 8.250 nan 0.000 0.444 145 A N 0.320 123.080 122.820 -0.100 0.000 2.235 145 A HA 0.149 4.469 4.320 -0.000 0.000 0.208 145 A C 1.165 178.729 177.584 -0.034 0.000 1.172 145 A CA 0.870 52.863 52.037 -0.073 0.000 0.786 145 A CB -0.537 18.401 19.000 -0.105 0.000 0.804 145 A HN 0.566 nan 8.150 nan 0.000 0.479 146 G N -0.544 108.234 108.800 -0.036 0.000 2.221 146 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.265 146 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.265 146 G C 0.106 175.024 174.900 0.029 0.000 1.041 146 G CA 0.718 45.814 45.100 -0.006 0.000 0.807 146 G HN 0.423 nan 8.290 nan 0.000 0.502 147 K N -0.724 119.698 120.400 0.037 0.000 2.245 147 K HA 0.497 4.817 4.320 -0.000 0.000 0.234 147 K C 0.018 176.720 176.600 0.169 0.000 1.021 147 K CA -1.182 55.191 56.287 0.145 0.000 0.898 147 K CB 0.723 33.382 32.500 0.265 0.000 1.163 147 K HN 0.382 nan 8.250 nan 0.000 0.459 148 H N -0.150 119.031 119.070 0.185 0.000 2.800 148 H HA 0.371 4.926 4.556 -0.000 0.000 0.291 148 H C -0.861 174.599 175.328 0.220 0.000 1.076 148 H CA -0.192 55.965 56.048 0.182 0.000 1.452 148 H CB 0.564 30.442 29.762 0.194 0.000 1.461 148 H HN 0.544 nan 8.280 nan 0.000 0.488 149 A N 5.280 128.130 122.820 0.049 0.000 2.249 149 A HA 0.211 4.531 4.320 -0.000 0.000 0.314 149 A C -0.355 177.330 177.584 0.169 0.000 1.290 149 A CA -0.705 51.412 52.037 0.132 0.000 0.893 149 A CB 0.539 19.544 19.000 0.008 0.000 1.165 149 A HN 0.858 nan 8.150 nan 0.000 0.530 150 Q N 2.816 122.800 119.800 0.308 0.000 2.400 150 Q HA 0.480 4.820 4.340 -0.000 0.000 0.255 150 Q C 0.298 176.401 176.000 0.173 0.000 1.008 150 Q CA -0.399 55.566 55.803 0.269 0.000 0.841 150 Q CB 1.052 29.978 28.738 0.313 0.000 1.220 150 Q HN 0.869 nan 8.270 nan 0.000 0.474 151 G N 2.534 111.403 108.800 0.114 0.000 2.406 151 G HA2 0.258 4.218 3.960 -0.000 0.000 0.251 151 G HA3 0.258 4.218 3.960 -0.000 0.000 0.251 151 G C -0.469 174.495 174.900 0.107 0.000 1.271 151 G CA -0.072 45.085 45.100 0.096 0.000 0.859 151 G HN 0.553 nan 8.290 nan 0.000 0.540 152 T N 2.197 116.834 114.554 0.137 0.000 2.855 152 T HA 0.476 4.826 4.350 -0.000 0.000 0.281 152 T C 0.083 174.878 174.700 0.158 0.000 1.007 152 T CA -0.168 62.019 62.100 0.145 0.000 1.009 152 T CB 1.377 70.367 68.868 0.205 0.000 0.983 152 T HN 0.309 nan 8.240 nan 0.000 0.455 153 I N 2.059 122.709 120.570 0.134 0.000 2.382 153 I HA 0.262 4.432 4.170 -0.000 0.000 0.285 153 I C -0.170 176.041 176.117 0.156 0.000 1.007 153 I CA -0.653 60.749 61.300 0.169 0.000 1.142 153 I CB 1.062 39.157 38.000 0.158 0.000 1.289 153 I HN 0.587 nan 8.210 nan 0.000 0.453 154 C N 6.678 126.096 119.300 0.195 0.000 2.540 154 C HA 0.124 4.584 4.460 -0.000 0.000 0.377 154 C C 0.337 175.416 174.990 0.148 0.000 1.274 154 C CA -0.306 58.803 59.018 0.151 0.000 1.718 154 C CB -1.094 26.747 27.740 0.168 0.000 2.391 154 C HN 0.514 nan 8.230 nan 0.000 0.565 155 Y N 3.312 123.597 120.300 -0.024 0.000 2.397 155 Y HA 0.484 5.034 4.550 -0.000 0.000 0.335 155 Y C 0.727 176.610 175.900 -0.028 0.000 1.213 155 Y CA 1.098 59.145 58.100 -0.087 0.000 1.391 155 Y CB 0.733 39.100 38.460 -0.154 0.000 1.293 155 Y HN 0.717 nan 8.280 nan 0.000 0.557 156 T N 5.377 119.356 114.554 -0.957 0.000 2.700 156 T HA 0.525 4.875 4.350 -0.000 0.000 0.307 156 T C -1.785 172.443 174.700 -0.787 0.000 1.580 156 T CA -0.739 60.937 62.100 -0.707 0.000 0.992 156 T CB 0.482 69.058 68.868 -0.488 0.000 1.577 156 T HN 0.542 nan 8.240 nan 0.000 0.496 157 I N 2.886 123.215 120.570 -0.402 0.000 2.465 157 I HA 0.683 4.853 4.170 -0.000 0.000 0.291 157 I C -0.324 175.703 176.117 -0.150 0.000 1.014 157 I CA -0.440 60.742 61.300 -0.196 0.000 1.093 157 I CB 1.901 39.887 38.000 -0.023 0.000 1.267 157 I HN 0.832 nan 8.210 nan 0.000 0.431 158 S N 4.732 120.359 115.700 -0.123 0.000 2.611 158 S HA 0.402 4.872 4.470 -0.000 0.000 0.270 158 S C -2.671 171.756 174.600 -0.289 0.000 1.131 158 S CA -0.917 57.136 58.200 -0.245 0.000 0.826 158 S CB 1.604 64.647 63.200 -0.261 0.000 1.095 158 S HN 0.283 nan 8.310 nan 0.000 0.461 159 P HA 0.002 nan 4.420 nan 0.000 0.223 159 P C 1.323 178.451 177.300 -0.287 0.000 1.144 159 P CA 1.288 64.173 63.100 -0.358 0.000 0.783 159 P CB -0.131 31.337 31.700 -0.387 0.000 0.771 160 V N -6.128 113.572 119.914 -0.356 0.000 3.660 160 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 160 V C 0.318 176.181 176.094 -0.385 0.000 1.317 160 V CA 0.029 62.164 62.300 -0.274 0.000 1.097 160 V CB -1.359 30.341 31.823 -0.205 0.000 0.863 160 V HN 0.004 nan 8.190 nan 0.000 0.438 161 H N 2.392 121.316 119.070 -0.243 0.000 2.552 161 H HA 0.717 5.273 4.556 -0.000 0.000 0.311 161 H C 0.550 175.750 175.328 -0.213 0.000 1.071 161 H CA 0.795 56.662 56.048 -0.301 0.000 1.307 161 H CB 1.338 30.947 29.762 -0.256 0.000 1.416 161 H HN 0.592 nan 8.280 nan 0.000 0.464 162 T N -1.167 113.250 114.554 -0.229 0.000 2.865 162 T HA 0.235 4.585 4.350 -0.000 0.000 0.294 162 T C 0.954 175.672 174.700 0.030 0.000 1.119 162 T CA -0.844 61.227 62.100 -0.049 0.000 1.007 162 T CB 0.897 69.727 68.868 -0.064 0.000 1.225 162 T HN 0.217 nan 8.240 nan 0.000 0.515 163 V N 0.889 120.902 119.914 0.164 0.000 2.332 163 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 163 V C 2.796 178.983 176.094 0.154 0.000 1.055 163 V CA 2.544 64.987 62.300 0.237 0.000 1.038 163 V CB -0.899 31.017 31.823 0.156 0.000 0.651 163 V HN 1.074 nan 8.190 nan 0.000 0.450 164 E N 0.318 120.555 120.200 0.061 0.000 2.085 164 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 164 E C 2.276 178.882 176.600 0.009 0.000 0.994 164 E CA 1.483 57.902 56.400 0.032 0.000 0.801 164 E CB -0.522 29.179 29.700 0.001 0.000 0.743 164 E HN 0.568 nan 8.360 nan 0.000 0.453 165 G N -0.469 108.276 108.800 -0.090 0.000 2.442 165 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 165 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 165 G C 1.149 175.987 174.900 -0.104 0.000 1.141 165 G CA 1.028 46.021 45.100 -0.179 0.000 0.763 165 G HN 0.367 nan 8.290 nan 0.000 0.554 166 Y N -0.148 120.209 120.300 0.095 0.000 2.263 166 Y HA -0.021 4.529 4.550 -0.000 0.000 0.292 166 Y C 2.964 178.939 175.900 0.124 0.000 1.130 166 Y CA 0.240 58.416 58.100 0.126 0.000 1.179 166 Y CB -0.007 38.549 38.460 0.161 0.000 0.998 166 Y HN 0.044 nan 8.280 nan 0.000 0.532 167 V N 0.719 120.796 119.914 0.271 0.000 2.407 167 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 167 V C 2.331 178.600 176.094 0.292 0.000 1.055 167 V CA 2.077 64.538 62.300 0.267 0.000 1.049 167 V CB -0.485 31.436 31.823 0.164 0.000 0.662 167 V HN 0.354 nan 8.190 nan 0.000 0.455 168 K N -0.032 120.478 120.400 0.184 0.000 2.025 168 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 168 K C 2.265 178.936 176.600 0.119 0.000 1.049 168 K CA 1.497 57.871 56.287 0.145 0.000 0.933 168 K CB -0.224 32.317 32.500 0.068 0.000 0.714 168 K HN 0.388 nan 8.250 nan 0.000 0.438 169 L N 0.752 122.045 121.223 0.118 0.000 2.079 169 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 169 L C 2.458 179.373 176.870 0.075 0.000 1.081 169 L CA 1.543 56.446 54.840 0.105 0.000 0.752 169 L CB -0.530 41.629 42.059 0.167 0.000 0.896 169 L HN 0.392 nan 8.230 nan 0.000 0.433 170 A N -0.205 122.670 122.820 0.092 0.000 1.902 170 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 170 A C 2.295 179.745 177.584 -0.223 0.000 1.181 170 A CA 1.662 53.692 52.037 -0.013 0.000 0.623 170 A CB -1.242 17.795 19.000 0.062 0.000 0.818 170 A HN 0.509 nan 8.150 nan 0.000 0.443 171 G N -0.731 107.930 108.800 -0.232 0.000 2.418 171 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 171 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 171 G C 1.592 176.393 174.900 -0.165 0.000 1.158 171 G CA 0.987 45.860 45.100 -0.378 0.000 0.771 171 G HN 0.671 nan 8.290 nan 0.000 0.545 172 Q N -0.124 119.643 119.800 -0.054 0.000 2.084 172 Q HA 0.028 4.367 4.340 -0.000 0.000 0.202 172 Q C 2.662 178.636 176.000 -0.043 0.000 0.978 172 Q CA 0.851 56.638 55.803 -0.026 0.000 0.844 172 Q CB -0.308 28.435 28.738 0.008 0.000 0.898 172 Q HN 0.432 nan 8.270 nan 0.000 0.426 173 L N 0.440 121.634 121.223 -0.049 0.000 2.017 173 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 173 L C 2.385 179.212 176.870 -0.072 0.000 1.073 173 L CA 1.031 55.848 54.840 -0.039 0.000 0.745 173 L CB -0.470 41.579 42.059 -0.016 0.000 0.894 173 L HN 0.253 nan 8.230 nan 0.000 0.432 174 L N -0.490 120.649 121.223 -0.140 0.000 2.083 174 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 174 L C 2.098 178.908 176.870 -0.099 0.000 1.083 174 L CA 1.029 55.781 54.840 -0.148 0.000 0.752 174 L CB -0.643 41.256 42.059 -0.266 0.000 0.899 174 L HN 0.258 nan 8.230 nan 0.000 0.433 175 D N 0.256 120.602 120.400 -0.090 0.000 2.218 175 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 175 D C 1.803 178.084 176.300 -0.033 0.000 0.976 175 D CA 1.188 55.159 54.000 -0.048 0.000 0.853 175 D CB -0.071 40.710 40.800 -0.032 0.000 0.939 175 D HN 0.466 nan 8.370 nan 0.000 0.481 176 M N -2.875 116.705 119.600 -0.033 0.000 2.637 176 M HA 0.432 4.912 4.480 -0.000 0.000 0.286 176 M C 0.882 177.163 176.300 -0.031 0.000 1.246 176 M CA 0.137 55.423 55.300 -0.023 0.000 0.978 176 M CB 0.545 33.138 32.600 -0.013 0.000 1.417 176 M HN -0.061 nan 8.290 nan 0.000 0.487 177 G N 0.828 109.605 108.800 -0.039 0.000 2.136 177 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.242 177 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.242 177 G C 0.228 175.094 174.900 -0.057 0.000 0.989 177 G CA 0.018 45.090 45.100 -0.046 0.000 0.682 177 G HN 1.022 nan 8.290 nan 0.000 0.522 178 A N 0.115 122.904 122.820 -0.053 0.000 2.546 178 A HA 0.439 4.759 4.320 -0.000 0.000 0.243 178 A C 1.215 178.748 177.584 -0.085 0.000 1.063 178 A CA 0.939 52.946 52.037 -0.051 0.000 0.757 178 A CB 0.249 19.230 19.000 -0.032 0.000 0.991 178 A HN 0.308 nan 8.150 nan 0.000 0.503 179 D N 0.327 120.633 120.400 -0.157 0.000 2.347 179 D HA 0.059 4.699 4.640 -0.000 0.000 0.213 179 D C 0.443 176.660 176.300 -0.139 0.000 0.985 179 D CA 1.568 55.401 54.000 -0.278 0.000 0.879 179 D CB 0.103 40.453 40.800 -0.751 0.000 0.919 179 D HN 0.738 nan 8.370 nan 0.000 0.526 180 S N -0.505 115.195 115.700 0.001 0.000 2.622 180 S HA 0.353 4.823 4.470 -0.000 0.000 0.275 180 S C -1.506 173.142 174.600 0.081 0.000 1.112 180 S CA -1.014 57.248 58.200 0.103 0.000 0.837 180 S CB 1.286 64.665 63.200 0.298 0.000 1.082 180 S HN -0.116 nan 8.310 nan 0.000 0.456 181 I N 1.539 122.133 120.570 0.040 0.000 2.404 181 I HA 0.707 4.877 4.170 -0.000 0.000 0.293 181 I C 0.387 176.518 176.117 0.024 0.000 0.992 181 I CA -0.770 60.548 61.300 0.031 0.000 1.149 181 I CB 1.126 39.131 38.000 0.008 0.000 1.315 181 I HN 1.037 nan 8.210 nan 0.000 0.446 182 A N 6.835 129.680 122.820 0.040 0.000 2.271 182 A HA 0.623 4.943 4.320 -0.000 0.000 0.317 182 A C -0.808 176.789 177.584 0.020 0.000 1.245 182 A CA -0.516 51.534 52.037 0.022 0.000 0.857 182 A CB 0.875 19.892 19.000 0.028 0.000 1.175 182 A HN 0.566 nan 8.150 nan 0.000 0.512 183 L N 2.645 123.868 121.223 -0.001 0.000 2.259 183 L HA 0.419 4.759 4.340 -0.000 0.000 0.288 183 L C 0.190 177.073 176.870 0.022 0.000 1.051 183 L CA 0.036 54.868 54.840 -0.013 0.000 0.824 183 L CB 0.555 42.568 42.059 -0.077 0.000 1.206 183 L HN 0.635 nan 8.230 nan 0.000 0.429 184 K N 3.393 123.822 120.400 0.048 0.000 2.263 184 K HA 0.258 4.578 4.320 -0.000 0.000 0.272 184 K C -0.895 175.783 176.600 0.131 0.000 1.033 184 K CA -0.397 55.941 56.287 0.085 0.000 0.884 184 K CB 0.651 33.124 32.500 -0.045 0.000 1.107 184 K HN 0.563 nan 8.250 nan 0.000 0.460 185 D N 5.629 126.137 120.400 0.180 0.000 2.514 185 D HA 0.067 4.707 4.640 -0.000 0.000 0.267 185 D C 0.837 177.218 176.300 0.135 0.000 1.165 185 D CA -0.268 53.830 54.000 0.164 0.000 0.958 185 D CB 0.575 41.434 40.800 0.099 0.000 0.992 185 D HN 0.686 nan 8.370 nan 0.000 0.506 186 M N 2.013 121.629 119.600 0.027 0.000 2.213 186 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 186 M C 1.261 177.341 176.300 -0.367 0.000 1.062 186 M CA 1.546 56.679 55.300 -0.278 0.000 1.105 186 M CB 0.300 32.747 32.600 -0.255 0.000 1.385 186 M HN 0.326 nan 8.290 nan 0.000 0.417 187 A N -0.420 122.309 122.820 -0.151 0.000 2.308 187 A HA 0.555 4.875 4.320 -0.000 0.000 0.217 187 A C 1.193 178.715 177.584 -0.103 0.000 1.216 187 A CA 0.578 52.528 52.037 -0.144 0.000 0.864 187 A CB -0.582 18.345 19.000 -0.122 0.000 0.902 187 A HN 0.981 nan 8.150 nan 0.000 0.499 188 A N -1.382 121.425 122.820 -0.021 0.000 2.869 188 A HA -0.168 4.152 4.320 -0.000 0.000 0.280 188 A C 0.903 178.509 177.584 0.036 0.000 1.458 188 A CA 1.112 53.158 52.037 0.016 0.000 0.776 188 A CB -2.390 16.602 19.000 -0.014 0.000 1.028 188 A HN 0.593 nan 8.150 nan 0.000 0.547 189 L N -1.486 119.808 121.223 0.118 0.000 2.509 189 L HA 0.180 4.520 4.340 -0.000 0.000 0.222 189 L C 1.034 178.217 176.870 0.522 0.000 1.123 189 L CA 0.203 55.207 54.840 0.273 0.000 0.856 189 L CB 0.101 42.301 42.059 0.235 0.000 0.985 189 L HN 0.600 nan 8.230 nan 0.000 0.456 190 L N 1.480 122.842 121.223 0.232 0.000 2.385 190 L HA 0.130 4.469 4.340 -0.000 0.000 0.281 190 L C 0.295 177.169 176.870 0.006 0.000 1.106 190 L CA 0.469 55.224 54.840 -0.143 0.000 0.856 190 L CB 0.031 41.801 42.059 -0.482 0.000 1.186 190 L HN -0.030 nan 8.230 nan 0.000 0.453 191 K N 5.918 126.338 120.400 0.034 0.000 2.090 191 K HA 0.324 4.643 4.320 -0.000 0.000 0.250 191 K C -1.758 174.824 176.600 -0.030 0.000 1.004 191 K CA -1.501 54.791 56.287 0.007 0.000 0.919 191 K CB 0.660 33.140 32.500 -0.034 0.000 1.045 191 K HN 0.322 nan 8.250 nan 0.000 0.471 192 P HA -0.225 nan 4.420 nan 0.000 0.213 192 P C 1.181 178.487 177.300 0.009 0.000 1.170 192 P CA 1.353 64.443 63.100 -0.017 0.000 0.902 192 P CB 0.260 31.944 31.700 -0.027 0.000 0.789 193 Q N -0.511 119.291 119.800 0.004 0.000 2.030 193 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 193 Q C -0.616 175.436 176.000 0.087 0.000 0.986 193 Q CA 2.687 58.513 55.803 0.039 0.000 0.843 193 Q CB -2.066 26.680 28.738 0.013 0.000 0.904 193 Q HN 0.175 nan 8.270 nan 0.000 0.420 194 P HA -0.158 nan 4.420 nan 0.000 0.216 194 P C 0.571 177.864 177.300 -0.013 0.000 1.150 194 P CA 2.076 65.208 63.100 0.053 0.000 0.843 194 P CB -0.274 31.466 31.700 0.068 0.000 0.787 195 A N -1.462 121.326 122.820 -0.054 0.000 1.877 195 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 195 A C 2.286 179.856 177.584 -0.024 0.000 1.186 195 A CA 1.524 53.504 52.037 -0.096 0.000 0.620 195 A CB -1.891 17.054 19.000 -0.091 0.000 0.822 195 A HN 0.178 nan 8.150 nan 0.000 0.443 196 Y N 1.198 121.458 120.300 -0.066 0.000 2.145 196 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 196 Y C 1.921 177.807 175.900 -0.024 0.000 1.145 196 Y CA 2.110 60.184 58.100 -0.045 0.000 1.148 196 Y CB -0.159 38.282 38.460 -0.033 0.000 0.981 196 Y HN 0.357 nan 8.280 nan 0.000 0.507 197 D N 0.342 120.800 120.400 0.097 0.000 2.097 197 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 197 D C 2.312 178.592 176.300 -0.033 0.000 0.989 197 D CA 1.980 56.001 54.000 0.035 0.000 0.827 197 D CB -0.431 40.440 40.800 0.119 0.000 0.966 197 D HN 0.458 nan 8.370 nan 0.000 0.456 198 I N 0.886 121.452 120.570 -0.007 0.000 2.142 198 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 198 I C 2.309 178.397 176.117 -0.048 0.000 1.078 198 I CA 0.553 61.857 61.300 0.007 0.000 1.343 198 I CB -0.123 37.872 38.000 -0.008 0.000 1.046 198 I HN -0.042 nan 8.210 nan 0.000 0.405 199 I N 1.195 121.700 120.570 -0.109 0.000 2.151 199 I HA -0.331 3.838 4.170 -0.000 0.000 0.243 199 I C 2.567 178.592 176.117 -0.153 0.000 1.080 199 I CA 1.827 63.050 61.300 -0.128 0.000 1.339 199 I CB -1.191 36.715 38.000 -0.158 0.000 1.039 199 I HN 0.327 nan 8.210 nan 0.000 0.409 200 K N 1.355 121.597 120.400 -0.264 0.000 2.057 200 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 200 K C 2.241 178.760 176.600 -0.135 0.000 1.050 200 K CA 1.465 57.593 56.287 -0.266 0.000 0.935 200 K CB -0.121 32.093 32.500 -0.475 0.000 0.715 200 K HN 0.186 nan 8.250 nan 0.000 0.439 201 A N 1.401 124.165 122.820 -0.092 0.000 1.917 201 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 201 A C 2.128 179.696 177.584 -0.027 0.000 1.182 201 A CA 1.832 53.845 52.037 -0.041 0.000 0.633 201 A CB -0.703 18.301 19.000 0.008 0.000 0.819 201 A HN 0.405 nan 8.150 nan 0.000 0.448 202 I N -0.886 119.696 120.570 0.021 0.000 2.315 202 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 202 I C 2.380 178.546 176.117 0.082 0.000 1.117 202 I CA 1.121 62.489 61.300 0.113 0.000 1.404 202 I CB -0.281 37.806 38.000 0.144 0.000 1.071 202 I HN 0.174 nan 8.210 nan 0.000 0.419 203 K N 0.683 121.089 120.400 0.010 0.000 2.025 203 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 203 K C 1.640 178.225 176.600 -0.025 0.000 1.049 203 K CA 1.400 57.686 56.287 -0.001 0.000 0.933 203 K CB -0.488 31.988 32.500 -0.039 0.000 0.714 203 K HN 0.269 nan 8.250 nan 0.000 0.438 204 D N 0.119 120.484 120.400 -0.057 0.000 2.178 204 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 204 D C 1.648 177.880 176.300 -0.114 0.000 0.980 204 D CA 1.133 55.092 54.000 -0.069 0.000 0.842 204 D CB 0.009 40.768 40.800 -0.067 0.000 0.948 204 D HN 0.197 nan 8.370 nan 0.000 0.472 205 T N -0.956 113.484 114.554 -0.190 0.000 2.939 205 T HA -0.029 4.321 4.350 -0.000 0.000 0.254 205 T C 1.387 175.768 174.700 -0.531 0.000 1.041 205 T CA 0.631 62.485 62.100 -0.410 0.000 1.142 205 T CB -0.063 68.419 68.868 -0.643 0.000 0.874 205 T HN 0.239 nan 8.240 nan 0.000 0.452 206 Y N 0.746 121.045 120.300 -0.001 0.000 2.442 206 Y HA 0.487 5.037 4.550 -0.000 0.000 0.250 206 Y C 1.316 177.215 175.900 -0.002 0.000 1.113 206 Y CA -0.116 57.985 58.100 0.001 0.000 1.273 206 Y CB 0.875 39.337 38.460 0.004 0.000 1.138 206 Y HN 0.338 nan 8.280 nan 0.000 0.522 207 G N 0.262 109.114 108.800 0.086 0.000 2.576 207 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 207 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 207 G C -0.177 174.750 174.900 0.045 0.000 1.242 207 G CA -0.767 44.365 45.100 0.054 0.000 0.819 207 G HN -0.104 nan 8.290 nan 0.000 0.655 208 Q N 0.477 120.291 119.800 0.024 0.000 2.170 208 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 208 Q C 2.566 178.576 176.000 0.016 0.000 0.976 208 Q CA 2.099 57.910 55.803 0.014 0.000 0.858 208 Q CB -0.301 28.444 28.738 0.011 0.000 0.907 208 Q HN 0.942 nan 8.270 nan 0.000 0.433 209 K N 0.262 120.677 120.400 0.025 0.000 2.280 209 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 209 K C 0.320 176.933 176.600 0.022 0.000 1.047 209 K CA 0.840 57.142 56.287 0.024 0.000 0.942 209 K CB -0.455 32.063 32.500 0.029 0.000 0.739 209 K HN -0.141 nan 8.250 nan 0.000 0.457 210 T N 2.867 117.440 114.554 0.033 0.000 2.765 210 T HA -0.065 4.285 4.350 -0.000 0.000 0.284 210 T C -0.314 174.387 174.700 0.002 0.000 0.946 210 T CA 0.088 62.206 62.100 0.029 0.000 1.185 210 T CB 0.661 69.571 68.868 0.070 0.000 0.887 210 T HN 0.299 nan 8.240 nan 0.000 0.532 211 Q N 4.128 123.923 119.800 -0.008 0.000 2.295 211 Q HA 0.396 4.736 4.340 -0.000 0.000 0.259 211 Q C -0.878 175.090 176.000 -0.054 0.000 0.976 211 Q CA -0.240 55.537 55.803 -0.044 0.000 0.923 211 Q CB 0.335 29.055 28.738 -0.030 0.000 1.185 211 Q HN 0.645 nan 8.270 nan 0.000 0.410 212 I N 4.018 124.534 120.570 -0.091 0.000 2.465 212 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 212 I C -0.538 175.499 176.117 -0.134 0.000 1.014 212 I CA -0.734 60.516 61.300 -0.083 0.000 1.093 212 I CB 1.998 39.958 38.000 -0.066 0.000 1.267 212 I HN 0.634 nan 8.210 nan 0.000 0.431 213 N N 5.859 124.492 118.700 -0.112 0.000 2.372 213 N HA 0.457 5.197 4.740 -0.000 0.000 0.285 213 N C -1.402 174.070 175.510 -0.062 0.000 1.008 213 N CA -0.743 52.231 53.050 -0.126 0.000 0.880 213 N CB 2.762 41.170 38.487 -0.131 0.000 1.239 213 N HN 0.263 nan 8.380 nan 0.000 0.484 214 L N 2.798 123.984 121.223 -0.062 0.000 2.272 214 L HA 0.283 4.623 4.340 -0.000 0.000 0.289 214 L C -0.711 176.171 176.870 0.020 0.000 1.032 214 L CA -0.450 54.369 54.840 -0.035 0.000 0.810 214 L CB 0.314 42.329 42.059 -0.074 0.000 1.205 214 L HN 0.572 nan 8.230 nan 0.000 0.422 215 H N 4.530 123.569 119.070 -0.051 0.000 2.691 215 H HA 0.498 5.054 4.556 -0.000 0.000 0.281 215 H C -1.266 174.085 175.328 0.039 0.000 1.121 215 H CA -0.370 55.664 56.048 -0.022 0.000 1.254 215 H CB 0.489 30.240 29.762 -0.019 0.000 1.390 215 H HN 0.734 nan 8.280 nan 0.000 0.491 216 C N 5.229 124.435 119.300 -0.156 0.000 2.379 216 C HA 0.344 4.804 4.460 -0.000 0.000 0.323 216 C C 0.211 175.136 174.990 -0.109 0.000 1.262 216 C CA -0.708 58.268 59.018 -0.071 0.000 1.581 216 C CB 0.480 28.188 27.740 -0.053 0.000 2.221 216 C HN 0.864 nan 8.230 nan 0.000 0.497 217 H N 0.910 119.882 119.070 -0.163 0.000 2.509 217 H HA 0.196 4.752 4.556 -0.000 0.000 0.359 217 H C 0.778 176.013 175.328 -0.154 0.000 1.253 217 H CA 0.233 56.141 56.048 -0.234 0.000 1.373 217 H CB 1.293 30.900 29.762 -0.257 0.000 1.555 217 H HN 0.731 nan 8.280 nan 0.000 0.586 218 S N -0.388 115.265 115.700 -0.079 0.000 2.575 218 S HA -0.000 4.470 4.470 -0.000 0.000 0.237 218 S C 1.202 175.783 174.600 -0.032 0.000 0.975 218 S CA -0.259 57.914 58.200 -0.046 0.000 0.960 218 S CB -0.155 63.009 63.200 -0.060 0.000 0.822 218 S HN 0.562 nan 8.310 nan 0.000 0.472 219 T N 2.906 117.440 114.554 -0.033 0.000 2.699 219 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 219 T C 2.033 176.707 174.700 -0.045 0.000 1.036 219 T CA 2.342 64.413 62.100 -0.048 0.000 1.147 219 T CB -0.921 67.903 68.868 -0.074 0.000 0.862 219 T HN 0.826 nan 8.240 nan 0.000 0.446 220 T N -1.663 112.869 114.554 -0.036 0.000 3.081 220 T HA 0.433 4.783 4.350 -0.000 0.000 0.250 220 T C 1.858 176.609 174.700 0.086 0.000 1.100 220 T CA 0.699 62.801 62.100 0.003 0.000 1.038 220 T CB -0.031 68.818 68.868 -0.030 0.000 0.962 220 T HN 0.589 nan 8.240 nan 0.000 0.516 221 G N 0.981 109.814 108.800 0.054 0.000 2.179 221 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.260 221 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.260 221 G C 0.866 175.804 174.900 0.064 0.000 0.977 221 G CA 0.651 45.782 45.100 0.052 0.000 0.641 221 G HN 1.436 nan 8.290 nan 0.000 0.533 222 V N -1.715 118.257 119.914 0.097 0.000 3.605 222 V HA 0.325 4.445 4.120 -0.000 0.000 0.284 222 V C 2.329 178.453 176.094 0.050 0.000 1.386 222 V CA 1.904 64.252 62.300 0.079 0.000 1.053 222 V CB -0.082 31.809 31.823 0.114 0.000 0.857 222 V HN 0.818 nan 8.190 nan 0.000 0.436 223 T N -2.183 112.397 114.554 0.044 0.000 2.995 223 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 223 T C 1.633 176.328 174.700 -0.009 0.000 1.091 223 T CA 1.640 63.748 62.100 0.012 0.000 1.128 223 T CB -0.318 68.552 68.868 0.003 0.000 0.891 223 T HN 0.667 nan 8.240 nan 0.000 0.492 224 E N 0.644 120.841 120.200 -0.005 0.000 2.150 224 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 224 E C 1.922 178.515 176.600 -0.011 0.000 0.985 224 E CA 0.651 57.045 56.400 -0.010 0.000 0.814 224 E CB -0.087 29.611 29.700 -0.003 0.000 0.752 224 E HN 0.432 nan 8.360 nan 0.000 0.466 225 V N 0.391 120.302 119.914 -0.006 0.000 2.548 225 V HA -0.165 3.954 4.120 -0.000 0.000 0.249 225 V C 2.186 178.270 176.094 -0.017 0.000 1.055 225 V CA 1.621 63.916 62.300 -0.010 0.000 1.065 225 V CB -0.120 31.699 31.823 -0.008 0.000 0.681 225 V HN 0.223 nan 8.190 nan 0.000 0.462 226 S N 0.240 115.928 115.700 -0.020 0.000 2.402 226 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 226 S C 1.879 176.453 174.600 -0.044 0.000 1.021 226 S CA 1.082 59.262 58.200 -0.033 0.000 0.974 226 S CB -0.277 62.896 63.200 -0.046 0.000 0.800 226 S HN 0.342 nan 8.310 nan 0.000 0.484 227 L N 0.970 122.165 121.223 -0.047 0.000 2.017 227 L HA -0.032 4.307 4.340 -0.000 0.000 0.208 227 L C 2.402 179.231 176.870 -0.068 0.000 1.073 227 L CA 1.620 56.423 54.840 -0.061 0.000 0.745 227 L CB -0.831 41.196 42.059 -0.053 0.000 0.894 227 L HN 0.289 nan 8.230 nan 0.000 0.432 228 M N -0.828 118.742 119.600 -0.050 0.000 2.065 228 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 228 M C 2.122 178.393 176.300 -0.049 0.000 1.069 228 M CA 1.785 57.053 55.300 -0.054 0.000 1.110 228 M CB -0.350 32.238 32.600 -0.020 0.000 1.328 228 M HN -0.046 nan 8.290 nan 0.000 0.405 229 K N 0.077 120.471 120.400 -0.010 0.000 2.097 229 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 229 K C 2.066 178.717 176.600 0.085 0.000 1.049 229 K CA 1.541 57.864 56.287 0.059 0.000 0.933 229 K CB -1.060 31.479 32.500 0.065 0.000 0.717 229 K HN 0.509 nan 8.250 nan 0.000 0.442 230 A N 1.173 123.986 122.820 -0.012 0.000 1.902 230 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 230 A C 2.276 179.791 177.584 -0.115 0.000 1.181 230 A CA 1.165 53.163 52.037 -0.065 0.000 0.623 230 A CB -0.520 18.424 19.000 -0.093 0.000 0.818 230 A HN 0.202 nan 8.150 nan 0.000 0.443 231 I N -0.298 120.169 120.570 -0.171 0.000 2.394 231 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 231 I C 2.323 178.201 176.117 -0.398 0.000 1.136 231 I CA 1.402 62.503 61.300 -0.332 0.000 1.425 231 I CB -0.271 37.455 38.000 -0.456 0.000 1.079 231 I HN 0.435 nan 8.210 nan 0.000 0.425 232 E N 0.703 120.791 120.200 -0.187 0.000 2.208 232 E HA -0.106 4.243 4.350 -0.000 0.000 0.193 232 E C 2.093 178.774 176.600 0.135 0.000 0.988 232 E CA 0.969 57.392 56.400 0.039 0.000 0.828 232 E CB -0.101 29.704 29.700 0.175 0.000 0.763 232 E HN 0.480 nan 8.360 nan 0.000 0.478 233 A N 0.456 123.294 122.820 0.031 0.000 2.238 233 A HA 0.241 4.561 4.320 -0.000 0.000 0.208 233 A C 1.624 179.118 177.584 -0.151 0.000 1.177 233 A CA 0.799 52.703 52.037 -0.222 0.000 0.804 233 A CB -0.191 18.538 19.000 -0.451 0.000 0.823 233 A HN 0.315 nan 8.150 nan 0.000 0.482 234 G N -1.412 107.330 108.800 -0.096 0.000 2.131 234 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.201 234 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.201 234 G C 0.239 175.080 174.900 -0.098 0.000 1.000 234 G CA 0.056 45.112 45.100 -0.073 0.000 0.680 234 G HN 1.100 nan 8.290 nan 0.000 0.514 235 V N 0.570 120.406 119.914 -0.129 0.000 2.763 235 V HA 0.230 4.350 4.120 -0.000 0.000 0.306 235 V C 1.389 177.402 176.094 -0.136 0.000 1.059 235 V CA 1.050 63.273 62.300 -0.129 0.000 1.138 235 V CB 0.793 32.536 31.823 -0.133 0.000 0.940 235 V HN 0.382 nan 8.190 nan 0.000 0.489 236 D N 3.816 124.127 120.400 -0.149 0.000 2.162 236 D HA 0.069 4.709 4.640 -0.000 0.000 0.205 236 D C 0.013 176.168 176.300 -0.241 0.000 0.964 236 D CA 1.189 55.077 54.000 -0.186 0.000 0.847 236 D CB 0.647 41.316 40.800 -0.219 0.000 0.988 236 D HN 0.383 nan 8.370 nan 0.000 0.480 237 V N 1.126 120.886 119.914 -0.257 0.000 2.932 237 V HA 0.295 4.415 4.120 -0.000 0.000 0.307 237 V C -0.424 175.580 176.094 -0.151 0.000 1.147 237 V CA -0.949 61.202 62.300 -0.248 0.000 0.951 237 V CB 2.697 34.245 31.823 -0.457 0.000 1.031 237 V HN -0.014 nan 8.190 nan 0.000 0.426 238 V N -0.485 119.373 119.914 -0.092 0.000 2.823 238 V HA 0.793 4.913 4.120 -0.000 0.000 0.312 238 V C -1.043 175.027 176.094 -0.039 0.000 1.072 238 V CA -0.717 61.543 62.300 -0.066 0.000 0.937 238 V CB 2.160 33.942 31.823 -0.069 0.000 1.013 238 V HN 0.732 nan 8.190 nan 0.000 0.430 239 D N 2.651 123.022 120.400 -0.049 0.000 2.210 239 D HA 0.727 5.367 4.640 -0.000 0.000 0.249 239 D C 0.396 176.611 176.300 -0.141 0.000 1.062 239 D CA 0.170 54.123 54.000 -0.079 0.000 0.891 239 D CB 1.943 42.719 40.800 -0.041 0.000 1.186 239 D HN 1.104 nan 8.370 nan 0.000 0.432 240 T N -2.365 112.096 114.554 -0.155 0.000 2.812 240 T HA 0.834 5.184 4.350 -0.000 0.000 0.294 240 T C -1.141 173.438 174.700 -0.202 0.000 1.159 240 T CA -1.075 60.942 62.100 -0.138 0.000 1.008 240 T CB 1.622 70.468 68.868 -0.038 0.000 1.289 240 T HN 0.333 nan 8.240 nan 0.000 0.514 241 A N 0.841 123.581 122.820 -0.132 0.000 2.371 241 A HA 0.737 5.057 4.320 -0.000 0.000 0.311 241 A C -0.344 177.200 177.584 -0.067 0.000 1.068 241 A CA -0.839 51.111 52.037 -0.145 0.000 0.744 241 A CB 0.748 19.693 19.000 -0.091 0.000 1.239 241 A HN 1.042 nan 8.150 nan 0.000 0.435 242 I N 2.651 123.178 120.570 -0.072 0.000 2.919 242 I HA -0.081 4.089 4.170 -0.000 0.000 0.303 242 I C 1.893 178.015 176.117 0.008 0.000 1.221 242 I CA 1.462 62.768 61.300 0.010 0.000 1.444 242 I CB 0.681 38.703 38.000 0.035 0.000 1.331 242 I HN 0.908 nan 8.210 nan 0.000 0.572 243 S N 3.552 119.279 115.700 0.046 0.000 2.389 243 S HA -0.288 4.182 4.470 -0.000 0.000 0.231 243 S C 1.662 176.282 174.600 0.034 0.000 1.052 243 S CA 1.634 59.860 58.200 0.042 0.000 1.053 243 S CB -1.206 62.031 63.200 0.062 0.000 0.886 243 S HN 0.882 nan 8.310 nan 0.000 0.456 244 S N 0.289 116.019 115.700 0.049 0.000 2.607 244 S HA 0.270 4.740 4.470 -0.000 0.000 0.224 244 S C 0.934 175.553 174.600 0.031 0.000 0.969 244 S CA 0.234 58.468 58.200 0.057 0.000 0.927 244 S CB -0.299 62.963 63.200 0.103 0.000 0.772 244 S HN 0.455 nan 8.310 nan 0.000 0.533 245 M N 2.464 122.051 119.600 -0.021 0.000 3.189 245 M HA 0.345 4.825 4.480 -0.000 0.000 0.365 245 M C -0.234 176.035 176.300 -0.052 0.000 1.447 245 M CA -0.038 55.219 55.300 -0.072 0.000 0.739 245 M CB 0.259 32.727 32.600 -0.220 0.000 1.411 245 M HN 0.443 nan 8.290 nan 0.000 0.494 246 S N -0.407 115.280 115.700 -0.022 0.000 2.704 246 S HA 0.946 5.416 4.470 -0.000 0.000 0.296 246 S C 0.135 174.721 174.600 -0.023 0.000 1.138 246 S CA -0.693 57.497 58.200 -0.017 0.000 0.875 246 S CB 2.366 65.562 63.200 -0.007 0.000 1.151 246 S HN 0.459 nan 8.310 nan 0.000 0.500 247 L N -0.630 120.570 121.223 -0.039 0.000 3.033 247 L HA 0.003 4.343 4.340 -0.000 0.000 0.338 247 L C 1.196 178.032 176.870 -0.056 0.000 1.056 247 L CA 0.404 55.219 54.840 -0.042 0.000 1.221 247 L CB -1.743 40.306 42.059 -0.017 0.000 1.085 247 L HN 1.890 nan 8.230 nan 0.000 0.460 248 G N -0.420 108.356 108.800 -0.039 0.000 2.566 248 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.280 248 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.280 248 G C -2.135 172.729 174.900 -0.059 0.000 1.225 248 G CA 0.363 45.441 45.100 -0.037 0.000 0.966 248 G HN 0.580 nan 8.290 nan 0.000 0.560 249 P HA 0.215 nan 4.420 nan 0.000 0.245 249 P C 1.354 178.595 177.300 -0.098 0.000 1.212 249 P CA 1.479 64.548 63.100 -0.051 0.000 0.774 249 P CB 0.057 31.739 31.700 -0.031 0.000 0.999 250 G N -0.601 108.075 108.800 -0.206 0.000 3.022 250 G HA2 0.195 4.155 3.960 -0.000 0.000 0.157 250 G HA3 0.195 4.155 3.960 -0.000 0.000 0.157 250 G C -0.553 173.814 174.900 -0.889 0.000 1.691 250 G CA 0.032 44.841 45.100 -0.484 0.000 1.079 250 G HN 0.174 nan 8.290 nan 0.000 0.549 251 H N -2.051 116.877 119.070 -0.237 0.000 2.906 251 H HA 0.402 4.958 4.556 -0.000 0.000 0.337 251 H C -0.617 174.615 175.328 -0.160 0.000 1.257 251 H CA -0.837 55.045 56.048 -0.276 0.000 1.192 251 H CB 0.610 30.138 29.762 -0.391 0.000 1.912 251 H HN 0.415 nan 8.280 nan 0.000 0.573 252 N N 1.385 120.079 118.700 -0.010 0.000 2.482 252 N HA 0.177 4.916 4.740 -0.000 0.000 0.260 252 N C -2.629 172.878 175.510 -0.006 0.000 1.236 252 N CA -1.207 51.834 53.050 -0.015 0.000 0.938 252 N CB 0.394 38.868 38.487 -0.021 0.000 1.128 252 N HN 0.321 nan 8.380 nan 0.000 0.448 253 P HA 0.083 nan 4.420 nan 0.000 0.276 253 P C 0.201 177.520 177.300 0.032 0.000 1.243 253 P CA -0.137 62.974 63.100 0.019 0.000 0.768 253 P CB 0.821 32.539 31.700 0.030 0.000 0.856 254 T N 2.155 116.732 114.554 0.040 0.000 2.580 254 T HA -0.228 4.122 4.350 -0.000 0.000 0.265 254 T C 1.329 176.077 174.700 0.081 0.000 1.063 254 T CA 1.827 63.968 62.100 0.068 0.000 1.170 254 T CB -0.673 68.270 68.868 0.124 0.000 0.863 254 T HN 0.498 nan 8.240 nan 0.000 0.418 255 E N 1.073 121.337 120.200 0.106 0.000 2.097 255 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 255 E C 2.592 179.283 176.600 0.152 0.000 1.000 255 E CA 1.504 58.002 56.400 0.163 0.000 0.804 255 E CB -0.370 29.436 29.700 0.177 0.000 0.740 255 E HN 0.305 nan 8.360 nan 0.000 0.454 256 S N -0.101 115.657 115.700 0.097 0.000 2.356 256 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 256 S C 2.132 176.774 174.600 0.070 0.000 1.032 256 S CA 1.160 59.404 58.200 0.074 0.000 1.005 256 S CB -0.253 62.976 63.200 0.048 0.000 0.867 256 S HN 0.067 nan 8.310 nan 0.000 0.449 257 V N 1.853 121.801 119.914 0.057 0.000 2.407 257 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 257 V C 2.553 178.684 176.094 0.062 0.000 1.055 257 V CA 1.629 63.954 62.300 0.042 0.000 1.049 257 V CB -1.153 30.683 31.823 0.021 0.000 0.662 257 V HN 0.536 nan 8.190 nan 0.000 0.455 258 A N -0.529 122.344 122.820 0.088 0.000 1.897 258 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 258 A C 2.220 179.925 177.584 0.201 0.000 1.181 258 A CA 1.318 53.424 52.037 0.114 0.000 0.620 258 A CB -0.331 18.707 19.000 0.063 0.000 0.821 258 A HN 0.498 nan 8.150 nan 0.000 0.443 259 E N 0.124 120.451 120.200 0.211 0.000 2.107 259 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 259 E C 2.111 178.764 176.600 0.088 0.000 0.982 259 E CA 1.423 57.911 56.400 0.147 0.000 0.809 259 E CB -0.501 29.250 29.700 0.084 0.000 0.756 259 E HN 0.913 nan 8.360 nan 0.000 0.459 260 M N -0.596 119.050 119.600 0.077 0.000 2.460 260 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 260 M C 1.640 177.981 176.300 0.069 0.000 1.071 260 M CA 1.320 56.655 55.300 0.058 0.000 1.096 260 M CB -0.321 32.306 32.600 0.045 0.000 1.408 260 M HN -0.037 nan 8.290 nan 0.000 0.463 261 L N 0.534 121.811 121.223 0.090 0.000 2.418 261 L HA 0.145 4.485 4.340 -0.000 0.000 0.218 261 L C 1.081 178.012 176.870 0.102 0.000 1.125 261 L CA 0.038 54.947 54.840 0.115 0.000 0.835 261 L CB -0.561 41.579 42.059 0.135 0.000 0.953 261 L HN 0.414 nan 8.230 nan 0.000 0.454 262 E N 0.915 121.163 120.200 0.080 0.000 2.694 262 E HA -0.022 4.328 4.350 -0.000 0.000 0.250 262 E C 1.147 177.771 176.600 0.039 0.000 0.963 262 E CA 0.786 57.220 56.400 0.057 0.000 0.949 262 E CB 0.187 29.909 29.700 0.038 0.000 0.911 262 E HN 0.371 nan 8.360 nan 0.000 0.500 263 G N 2.964 111.779 108.800 0.026 0.000 2.179 263 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 263 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 263 G C 0.893 175.790 174.900 -0.006 0.000 0.977 263 G CA 0.819 45.922 45.100 0.006 0.000 0.641 263 G HN 0.700 nan 8.290 nan 0.000 0.533 264 T N -2.423 112.140 114.554 0.014 0.000 3.067 264 T HA 0.424 4.774 4.350 -0.000 0.000 0.261 264 T C 2.495 177.082 174.700 -0.189 0.000 1.110 264 T CA 1.899 63.999 62.100 -0.000 0.000 1.113 264 T CB 0.294 69.263 68.868 0.169 0.000 0.917 264 T HN 2.220 nan 8.240 nan 0.000 0.499 265 G N 0.192 108.885 108.800 -0.179 0.000 2.259 265 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.217 265 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.217 265 G C -0.073 174.642 174.900 -0.308 0.000 1.001 265 G CA -0.188 44.734 45.100 -0.296 0.000 0.627 265 G HN 0.628 nan 8.290 nan 0.000 0.501 266 Y N 0.808 121.117 120.300 0.014 0.000 2.335 266 Y HA 0.707 5.257 4.550 -0.000 0.000 0.323 266 Y C 0.851 176.761 175.900 0.017 0.000 1.224 266 Y CA 0.275 58.383 58.100 0.013 0.000 1.241 266 Y CB 2.050 40.517 38.460 0.012 0.000 1.235 266 Y HN 0.176 nan 8.280 nan 0.000 0.492 267 T N -1.065 113.599 114.554 0.184 0.000 2.802 267 T HA 0.289 4.639 4.350 -0.000 0.000 0.311 267 T C 0.383 175.128 174.700 0.074 0.000 1.405 267 T CA 0.030 62.195 62.100 0.108 0.000 1.016 267 T CB 1.174 70.086 68.868 0.074 0.000 1.352 267 T HN 0.799 nan 8.240 nan 0.000 0.498 268 T N -0.258 114.319 114.554 0.037 0.000 3.056 268 T HA 0.307 4.657 4.350 -0.000 0.000 0.241 268 T C 0.793 175.473 174.700 -0.033 0.000 1.006 268 T CA 0.837 62.936 62.100 -0.002 0.000 1.115 268 T CB -0.401 68.447 68.868 -0.034 0.000 0.939 268 T HN 0.914 nan 8.240 nan 0.000 0.462 269 N N 1.098 119.761 118.700 -0.062 0.000 2.765 269 N HA -0.121 4.619 4.740 -0.000 0.000 0.254 269 N C -1.189 174.224 175.510 -0.162 0.000 1.094 269 N CA 0.058 53.058 53.050 -0.083 0.000 0.680 269 N CB -1.251 37.215 38.487 -0.033 0.000 0.902 269 N HN 0.538 nan 8.380 nan 0.000 0.557 270 L N 0.662 121.710 121.223 -0.291 0.000 2.342 270 L HA 0.376 4.716 4.340 -0.000 0.000 0.271 270 L C 0.403 177.020 176.870 -0.422 0.000 1.008 270 L CA -0.883 53.722 54.840 -0.392 0.000 0.818 270 L CB 1.493 43.260 42.059 -0.486 0.000 1.296 270 L HN 0.119 nan 8.230 nan 0.000 0.427 271 D N 1.211 121.430 120.400 -0.302 0.000 2.344 271 D HA 0.019 4.659 4.640 -0.000 0.000 0.253 271 D C 0.646 176.856 176.300 -0.149 0.000 1.255 271 D CA 0.241 54.138 54.000 -0.171 0.000 0.894 271 D CB 0.655 41.394 40.800 -0.102 0.000 1.067 271 D HN 0.334 nan 8.370 nan 0.000 0.492 272 Y N 2.153 122.439 120.300 -0.023 0.000 2.207 272 Y HA -0.234 4.316 4.550 -0.000 0.000 0.287 272 Y C 2.125 178.048 175.900 0.039 0.000 1.156 272 Y CA 1.316 59.418 58.100 0.004 0.000 1.182 272 Y CB 0.106 38.567 38.460 0.003 0.000 0.979 272 Y HN 0.442 nan 8.280 nan 0.000 0.521 273 D N -0.409 120.093 120.400 0.170 0.000 2.144 273 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 273 D C 2.109 178.493 176.300 0.140 0.000 0.978 273 D CA 1.000 55.081 54.000 0.135 0.000 0.833 273 D CB 0.127 40.973 40.800 0.076 0.000 0.961 273 D HN -0.037 nan 8.370 nan 0.000 0.470 274 R N 0.056 120.601 120.500 0.074 0.000 2.066 274 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 274 R C 2.534 178.880 176.300 0.076 0.000 1.131 274 R CA 0.535 56.665 56.100 0.050 0.000 0.955 274 R CB -1.012 29.278 30.300 -0.016 0.000 0.851 274 R HN 0.357 nan 8.270 nan 0.000 0.432 275 L N -0.389 120.869 121.223 0.059 0.000 2.079 275 L HA -0.232 4.107 4.340 -0.000 0.000 0.210 275 L C 2.503 179.468 176.870 0.158 0.000 1.081 275 L CA 1.621 56.518 54.840 0.094 0.000 0.752 275 L CB -0.616 41.484 42.059 0.070 0.000 0.896 275 L HN 0.266 nan 8.230 nan 0.000 0.433 276 H N 0.470 119.603 119.070 0.105 0.000 2.421 276 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 276 H C 2.208 177.597 175.328 0.101 0.000 1.087 276 H CA 1.603 57.713 56.048 0.104 0.000 1.330 276 H CB 0.217 30.033 29.762 0.090 0.000 1.388 276 H HN 0.173 nan 8.280 nan 0.000 0.526 277 K N -0.218 120.244 120.400 0.103 0.000 2.062 277 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 277 K C 2.208 178.848 176.600 0.067 0.000 1.051 277 K CA 1.371 57.695 56.287 0.060 0.000 0.941 277 K CB 0.105 32.656 32.500 0.085 0.000 0.719 277 K HN 0.293 nan 8.250 nan 0.000 0.440 278 I N 1.171 121.807 120.570 0.109 0.000 2.208 278 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 278 I C 2.769 179.056 176.117 0.284 0.000 1.097 278 I CA 1.186 62.605 61.300 0.198 0.000 1.363 278 I CB -0.323 37.817 38.000 0.233 0.000 1.051 278 I HN 0.192 nan 8.210 nan 0.000 0.413 279 R N 1.145 121.740 120.500 0.158 0.000 2.073 279 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 279 R C 1.800 178.143 176.300 0.072 0.000 1.134 279 R CA 2.211 58.383 56.100 0.121 0.000 0.952 279 R CB -0.306 30.007 30.300 0.022 0.000 0.850 279 R HN 0.288 nan 8.270 nan 0.000 0.433 280 D N -0.569 119.794 120.400 -0.061 0.000 2.117 280 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 280 D C 1.772 178.062 176.300 -0.016 0.000 0.982 280 D CA 1.413 55.371 54.000 -0.070 0.000 0.828 280 D CB -0.508 40.212 40.800 -0.133 0.000 0.967 280 D HN 0.461 nan 8.370 nan 0.000 0.464 281 H N -0.320 118.700 119.070 -0.082 0.000 2.289 281 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 281 H C 1.798 176.987 175.328 -0.231 0.000 1.091 281 H CA 1.809 57.740 56.048 -0.195 0.000 1.274 281 H CB -0.494 29.073 29.762 -0.325 0.000 1.364 281 H HN 0.108 nan 8.280 nan 0.000 0.490 282 F N 0.234 120.207 119.950 0.038 0.000 2.456 282 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 282 F C 2.591 178.371 175.800 -0.033 0.000 1.104 282 F CA 0.901 58.898 58.000 -0.005 0.000 1.435 282 F CB -0.037 39.009 39.000 0.076 0.000 1.078 282 F HN 0.155 nan 8.300 nan 0.000 0.546 283 K N 0.742 121.212 120.400 0.118 0.000 2.148 283 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 283 K C 2.166 178.781 176.600 0.026 0.000 1.050 283 K CA 1.100 57.428 56.287 0.068 0.000 0.942 283 K CB -0.140 32.382 32.500 0.037 0.000 0.724 283 K HN 0.198 nan 8.250 nan 0.000 0.446 284 A N 0.806 123.603 122.820 -0.037 0.000 1.898 284 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 284 A C 2.015 179.574 177.584 -0.041 0.000 1.183 284 A CA 0.958 52.961 52.037 -0.057 0.000 0.622 284 A CB -0.312 18.620 19.000 -0.114 0.000 0.824 284 A HN 0.301 nan 8.150 nan 0.000 0.444 285 I N -1.223 119.302 120.570 -0.075 0.000 2.333 285 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 285 I C 2.624 178.854 176.117 0.189 0.000 1.106 285 I CA 1.053 62.365 61.300 0.020 0.000 1.411 285 I CB -0.220 37.736 38.000 -0.073 0.000 1.082 285 I HN 0.352 nan 8.210 nan 0.000 0.420 286 R N 1.222 121.831 120.500 0.183 0.000 2.133 286 R HA -0.200 4.140 4.340 -0.000 0.000 0.247 286 R C -0.613 175.833 176.300 0.243 0.000 1.151 286 R CA 1.909 58.140 56.100 0.219 0.000 0.971 286 R CB -1.152 29.235 30.300 0.146 0.000 0.866 286 R HN 0.231 nan 8.270 nan 0.000 0.447 287 P HA -0.169 nan 4.420 nan 0.000 0.218 287 P C 0.238 177.608 177.300 0.117 0.000 1.148 287 P CA 1.512 64.681 63.100 0.115 0.000 0.822 287 P CB -0.032 31.707 31.700 0.065 0.000 0.784 288 K N -1.818 118.658 120.400 0.127 0.000 2.360 288 K HA -0.133 4.187 4.320 -0.000 0.000 0.201 288 K C 0.825 177.357 176.600 -0.112 0.000 1.046 288 K CA 1.147 57.428 56.287 -0.010 0.000 0.940 288 K CB -0.383 32.070 32.500 -0.078 0.000 0.748 288 K HN 0.324 nan 8.250 nan 0.000 0.465 289 Y N 1.207 121.575 120.300 0.113 0.000 2.524 289 Y HA 0.061 4.611 4.550 -0.000 0.000 0.266 289 Y C 1.597 177.604 175.900 0.178 0.000 1.180 289 Y CA -0.358 57.866 58.100 0.206 0.000 1.244 289 Y CB 0.004 38.575 38.460 0.186 0.000 1.125 289 Y HN 0.036 nan 8.280 nan 0.000 0.524 290 K N 0.059 120.556 120.400 0.162 0.000 2.160 290 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 290 K C 1.265 177.864 176.600 -0.003 0.000 1.047 290 K CA 1.418 57.754 56.287 0.081 0.000 0.930 290 K CB -0.106 32.412 32.500 0.031 0.000 0.720 290 K HN -0.012 nan 8.250 nan 0.000 0.450 291 K N 0.215 120.538 120.400 -0.128 0.000 2.515 291 K HA -0.061 4.259 4.320 -0.000 0.000 0.196 291 K C 0.662 176.926 176.600 -0.559 0.000 1.038 291 K CA 0.864 56.913 56.287 -0.396 0.000 0.967 291 K CB -0.052 32.068 32.500 -0.633 0.000 0.780 291 K HN 0.356 nan 8.250 nan 0.000 0.483 292 F N 0.643 120.614 119.950 0.035 0.000 2.729 292 F HA 0.178 4.705 4.527 -0.000 0.000 0.315 292 F C 0.648 176.472 175.800 0.041 0.000 1.102 292 F CA -0.586 57.435 58.000 0.035 0.000 1.204 292 F CB 0.513 39.551 39.000 0.063 0.000 1.052 292 F HN -0.225 nan 8.300 nan 0.000 0.551 293 E N 1.114 121.415 120.200 0.169 0.000 2.390 293 E HA 0.222 4.572 4.350 -0.000 0.000 0.261 293 E C 0.111 176.753 176.600 0.070 0.000 1.076 293 E CA 0.039 56.508 56.400 0.114 0.000 0.905 293 E CB 1.110 30.860 29.700 0.084 0.000 0.984 293 E HN 0.028 nan 8.360 nan 0.000 0.427 294 S N 1.273 117.005 115.700 0.053 0.000 2.652 294 S HA 0.229 4.699 4.470 -0.000 0.000 0.270 294 S C 0.657 175.269 174.600 0.020 0.000 1.243 294 S CA -0.677 57.542 58.200 0.031 0.000 0.999 294 S CB 1.001 64.213 63.200 0.021 0.000 0.973 294 S HN 0.320 nan 8.310 nan 0.000 0.544 295 K N 0.661 121.067 120.400 0.010 0.000 2.514 295 K HA 0.230 4.550 4.320 -0.000 0.000 0.207 295 K C -0.661 175.941 176.600 0.003 0.000 1.035 295 K CA 0.079 56.370 56.287 0.006 0.000 1.113 295 K CB 0.618 33.120 32.500 0.002 0.000 0.846 295 K HN 0.472 nan 8.250 nan 0.000 0.491 296 T N 0.138 114.692 114.554 0.001 0.000 2.916 296 T HA 0.320 4.670 4.350 -0.000 0.000 0.298 296 T C 0.713 175.410 174.700 -0.005 0.000 1.031 296 T CA -0.643 61.455 62.100 -0.003 0.000 0.993 296 T CB 1.967 70.830 68.868 -0.007 0.000 1.045 296 T HN -0.028 nan 8.240 nan 0.000 0.454 297 L N 1.595 122.816 121.223 -0.003 0.000 2.316 297 L HA 0.365 4.705 4.340 -0.000 0.000 0.207 297 L C -0.127 176.739 176.870 -0.007 0.000 1.070 297 L CA 0.381 55.218 54.840 -0.005 0.000 0.820 297 L CB 0.529 42.588 42.059 0.001 0.000 0.992 297 L HN 0.364 nan 8.230 nan 0.000 0.466 298 V N -0.372 119.541 119.914 -0.002 0.000 2.668 298 V HA 0.414 4.534 4.120 -0.000 0.000 0.304 298 V C -1.578 174.516 176.094 0.001 0.000 1.071 298 V CA -0.722 61.579 62.300 0.002 0.000 0.894 298 V CB 2.289 34.120 31.823 0.015 0.000 1.008 298 V HN -0.025 nan 8.190 nan 0.000 0.425 299 D N 2.432 122.826 120.400 -0.010 0.000 2.736 299 D HA 0.371 5.011 4.640 -0.000 0.000 0.243 299 D C 0.633 176.913 176.300 -0.034 0.000 1.304 299 D CA 0.091 54.080 54.000 -0.018 0.000 0.934 299 D CB 2.426 43.204 40.800 -0.038 0.000 1.382 299 D HN 0.652 nan 8.370 nan 0.000 0.571 300 T N -0.603 113.962 114.554 0.019 0.000 3.069 300 T HA 0.030 4.380 4.350 -0.000 0.000 0.252 300 T C 1.727 176.454 174.700 0.045 0.000 1.053 300 T CA 0.677 62.824 62.100 0.079 0.000 0.964 300 T CB -0.059 68.958 68.868 0.248 0.000 1.005 300 T HN 0.218 nan 8.240 nan 0.000 0.532 301 S N 2.267 117.967 115.700 0.001 0.000 2.392 301 S HA -0.179 4.291 4.470 -0.000 0.000 0.232 301 S C 1.884 176.467 174.600 -0.028 0.000 1.041 301 S CA 1.070 59.273 58.200 0.006 0.000 1.026 301 S CB -1.048 62.147 63.200 -0.009 0.000 0.845 301 S HN 0.587 nan 8.310 nan 0.000 0.465 302 I N 0.311 120.800 120.570 -0.136 0.000 2.399 302 I HA -0.186 3.984 4.170 -0.000 0.000 0.254 302 I C 1.896 177.927 176.117 -0.143 0.000 1.146 302 I CA 1.464 62.657 61.300 -0.179 0.000 1.412 302 I CB -0.218 37.609 38.000 -0.288 0.000 1.076 302 I HN 0.281 nan 8.210 nan 0.000 0.432 303 F N 0.772 120.730 119.950 0.014 0.000 2.269 303 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 303 F C 2.541 178.350 175.800 0.016 0.000 1.082 303 F CA 1.386 59.397 58.000 0.019 0.000 1.360 303 F CB -0.179 38.834 39.000 0.021 0.000 1.041 303 F HN 0.042 nan 8.300 nan 0.000 0.512 304 K N 0.114 120.619 120.400 0.174 0.000 2.190 304 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 304 K C 2.261 178.901 176.600 0.066 0.000 1.045 304 K CA 1.122 57.473 56.287 0.108 0.000 0.976 304 K CB -0.102 32.449 32.500 0.086 0.000 0.849 304 K HN 0.182 nan 8.250 nan 0.000 0.468 305 S N 0.276 116.001 115.700 0.042 0.000 2.461 305 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 305 S C 1.166 175.777 174.600 0.019 0.000 1.005 305 S CA 1.109 59.322 58.200 0.023 0.000 0.942 305 S CB -0.026 63.177 63.200 0.005 0.000 0.776 305 S HN 0.525 nan 8.310 nan 0.000 0.514 306 Q N -0.385 119.421 119.800 0.010 0.000 2.362 306 Q HA -0.196 4.144 4.340 -0.000 0.000 0.220 306 Q C -0.988 175.002 176.000 -0.016 0.000 0.713 306 Q CA 1.013 56.818 55.803 0.004 0.000 1.345 306 Q CB -1.760 27.001 28.738 0.039 0.000 1.570 306 Q HN 0.806 nan 8.270 nan 0.000 0.701 307 I N 1.981 122.534 120.570 -0.028 0.000 2.362 307 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 307 I C -2.147 173.936 176.117 -0.057 0.000 0.994 307 I CA -2.388 58.892 61.300 -0.033 0.000 1.158 307 I CB 1.462 39.449 38.000 -0.021 0.000 1.315 307 I HN -0.056 nan 8.210 nan 0.000 0.451 308 P HA 0.125 nan 4.420 nan 0.000 0.274 308 P C 0.928 178.192 177.300 -0.059 0.000 1.231 308 P CA -0.165 62.888 63.100 -0.078 0.000 0.790 308 P CB 1.008 32.661 31.700 -0.079 0.000 0.951 309 G N 1.916 110.679 108.800 -0.062 0.000 2.421 309 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 309 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 309 G C 1.690 176.571 174.900 -0.031 0.000 1.171 309 G CA 0.873 45.948 45.100 -0.043 0.000 0.775 309 G HN 0.640 nan 8.290 nan 0.000 0.543 310 G N 0.304 109.084 108.800 -0.034 0.000 2.516 310 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.221 310 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.221 310 G C 1.663 176.553 174.900 -0.016 0.000 1.107 310 G CA 1.161 46.249 45.100 -0.020 0.000 0.747 310 G HN 0.485 nan 8.290 nan 0.000 0.567 311 M N -0.732 118.854 119.600 -0.024 0.000 2.447 311 M HA 0.270 4.750 4.480 -0.000 0.000 0.266 311 M C 2.213 178.502 176.300 -0.019 0.000 1.120 311 M CA 0.461 55.749 55.300 -0.021 0.000 1.166 311 M CB 0.018 32.602 32.600 -0.027 0.000 1.349 311 M HN 0.160 nan 8.290 nan 0.000 0.463 312 L N 0.710 121.921 121.223 -0.021 0.000 1.994 312 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 312 L C 2.586 179.449 176.870 -0.011 0.000 1.071 312 L CA 2.657 57.487 54.840 -0.017 0.000 0.745 312 L CB -0.964 41.083 42.059 -0.020 0.000 0.892 312 L HN 0.562 nan 8.230 nan 0.000 0.431 313 S N -0.859 114.836 115.700 -0.008 0.000 2.370 313 S HA -0.262 4.208 4.470 -0.000 0.000 0.226 313 S C 1.927 176.529 174.600 0.002 0.000 1.033 313 S CA 1.503 59.702 58.200 -0.002 0.000 1.011 313 S CB -1.255 61.945 63.200 0.000 0.000 0.852 313 S HN 0.655 nan 8.310 nan 0.000 0.457 314 N N 1.335 120.036 118.700 0.002 0.000 2.069 314 N HA -0.041 4.699 4.740 -0.000 0.000 0.191 314 N C 1.941 177.454 175.510 0.004 0.000 1.031 314 N CA 1.910 54.964 53.050 0.006 0.000 0.852 314 N CB -0.411 38.079 38.487 0.005 0.000 1.018 314 N HN 0.458 nan 8.380 nan 0.000 0.423 315 M N 0.082 119.680 119.600 -0.004 0.000 2.213 315 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 315 M C 2.113 178.415 176.300 0.004 0.000 1.062 315 M CA 1.223 56.520 55.300 -0.005 0.000 1.105 315 M CB -0.254 32.338 32.600 -0.014 0.000 1.385 315 M HN 0.357 nan 8.290 nan 0.000 0.417 316 E N 0.431 120.632 120.200 0.003 0.000 2.072 316 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 316 E C 1.919 178.525 176.600 0.010 0.000 0.985 316 E CA 1.700 58.103 56.400 0.005 0.000 0.801 316 E CB 0.089 29.790 29.700 0.002 0.000 0.750 316 E HN 0.520 nan 8.360 nan 0.000 0.452 317 S N 0.060 115.767 115.700 0.012 0.000 2.442 317 S HA -0.184 4.286 4.470 -0.000 0.000 0.236 317 S C 1.827 176.440 174.600 0.022 0.000 1.007 317 S CA 0.970 59.180 58.200 0.016 0.000 0.965 317 S CB -0.189 63.022 63.200 0.018 0.000 0.773 317 S HN 0.311 nan 8.310 nan 0.000 0.504 318 Q N 0.844 120.660 119.800 0.026 0.000 2.033 318 Q HA 0.180 4.520 4.340 -0.000 0.000 0.196 318 Q C 2.302 178.324 176.000 0.036 0.000 0.970 318 Q CA 1.260 57.087 55.803 0.040 0.000 0.828 318 Q CB -0.371 28.397 28.738 0.051 0.000 0.895 318 Q HN 0.529 nan 8.270 nan 0.000 0.440 319 L N 0.550 121.790 121.223 0.027 0.000 2.141 319 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 319 L C 2.692 179.570 176.870 0.014 0.000 1.094 319 L CA 0.712 55.564 54.840 0.020 0.000 0.763 319 L CB -0.486 41.581 42.059 0.014 0.000 0.908 319 L HN 0.184 nan 8.230 nan 0.000 0.437 320 R N 1.519 122.027 120.500 0.013 0.000 2.062 320 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 320 R C 1.711 178.017 176.300 0.010 0.000 1.136 320 R CA 1.668 57.774 56.100 0.009 0.000 0.948 320 R CB -0.324 29.981 30.300 0.008 0.000 0.845 320 R HN 0.288 nan 8.270 nan 0.000 0.430 321 A N 0.747 123.576 122.820 0.015 0.000 2.281 321 A HA 0.001 4.321 4.320 -0.000 0.000 0.231 321 A C 1.098 178.691 177.584 0.015 0.000 1.317 321 A CA 0.293 52.339 52.037 0.015 0.000 0.959 321 A CB -0.236 18.776 19.000 0.020 0.000 0.900 321 A HN 0.551 nan 8.150 nan 0.000 0.497 322 Q N -2.068 117.739 119.800 0.012 0.000 1.932 322 Q HA 0.293 4.633 4.340 -0.000 0.000 0.191 322 Q C 1.000 177.002 176.000 0.003 0.000 0.777 322 Q CA 0.790 56.598 55.803 0.008 0.000 0.953 322 Q CB 0.089 28.836 28.738 0.015 0.000 1.231 322 Q HN 0.926 nan 8.270 nan 0.000 0.418 323 G N 1.109 109.911 108.800 0.003 0.000 2.480 323 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.246 323 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.246 323 G C 0.639 175.538 174.900 -0.001 0.000 1.073 323 G CA 0.348 45.448 45.100 -0.000 0.000 0.643 323 G HN 0.796 nan 8.290 nan 0.000 0.525 324 A N 0.791 123.611 122.820 -0.000 0.000 2.810 324 A HA 0.547 4.867 4.320 -0.000 0.000 0.247 324 A C 1.297 178.882 177.584 0.001 0.000 1.576 324 A CA 1.456 53.492 52.037 -0.001 0.000 1.294 324 A CB -0.471 18.528 19.000 -0.002 0.000 0.976 324 A HN 0.699 nan 8.150 nan 0.000 0.631 325 E N 0.665 120.866 120.200 0.002 0.000 2.482 325 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 325 E C 1.048 177.648 176.600 -0.000 0.000 1.047 325 E CA 1.025 57.426 56.400 0.002 0.000 0.869 325 E CB 0.107 29.808 29.700 0.002 0.000 0.836 325 E HN 0.851 nan 8.360 nan 0.000 0.520 326 D N 0.689 121.088 120.400 -0.002 0.000 2.137 326 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 326 D C 1.149 177.447 176.300 -0.003 0.000 0.970 326 D CA 0.561 54.560 54.000 -0.003 0.000 0.837 326 D CB -0.314 40.484 40.800 -0.003 0.000 0.981 326 D HN 0.086 nan 8.370 nan 0.000 0.475 327 K N -0.111 120.286 120.400 -0.004 0.000 2.616 327 K HA 0.003 4.323 4.320 -0.000 0.000 0.192 327 K C 1.683 178.279 176.600 -0.006 0.000 1.031 327 K CA -0.098 56.186 56.287 -0.006 0.000 1.004 327 K CB -0.217 32.279 32.500 -0.008 0.000 0.810 327 K HN 0.063 nan 8.250 nan 0.000 0.497 328 M N 1.528 121.125 119.600 -0.004 0.000 2.337 328 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 328 M C 0.786 177.082 176.300 -0.005 0.000 1.067 328 M CA 1.690 56.987 55.300 -0.004 0.000 1.074 328 M CB -0.100 32.499 32.600 -0.002 0.000 1.395 328 M HN 0.064 nan 8.290 nan 0.000 0.431 329 D N -0.576 119.821 120.400 -0.005 0.000 2.249 329 D HA -0.076 4.564 4.640 -0.000 0.000 0.205 329 D C 1.610 177.905 176.300 -0.008 0.000 0.962 329 D CA 0.902 54.900 54.000 -0.005 0.000 0.860 329 D CB -0.032 40.766 40.800 -0.003 0.000 0.955 329 D HN 0.585 nan 8.370 nan 0.000 0.505 330 E N 0.414 120.607 120.200 -0.011 0.000 2.158 330 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 330 E C 2.240 178.826 176.600 -0.023 0.000 0.982 330 E CA 0.219 56.609 56.400 -0.017 0.000 0.823 330 E CB 0.423 30.111 29.700 -0.020 0.000 0.766 330 E HN 0.016 nan 8.360 nan 0.000 0.468 331 V N 1.033 120.935 119.914 -0.020 0.000 2.379 331 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 331 V C 2.269 178.349 176.094 -0.023 0.000 1.044 331 V CA 1.411 63.696 62.300 -0.025 0.000 1.036 331 V CB -0.249 31.563 31.823 -0.018 0.000 0.664 331 V HN 0.256 nan 8.190 nan 0.000 0.453 332 M N 0.345 119.936 119.600 -0.014 0.000 2.149 332 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 332 M C 1.947 178.245 176.300 -0.004 0.000 1.064 332 M CA 2.180 57.476 55.300 -0.007 0.000 1.102 332 M CB -0.428 32.170 32.600 -0.003 0.000 1.369 332 M HN 0.320 nan 8.290 nan 0.000 0.408 333 A N -1.703 121.113 122.820 -0.007 0.000 2.030 333 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 333 A C 1.924 179.501 177.584 -0.011 0.000 1.164 333 A CA 1.355 53.390 52.037 -0.003 0.000 0.697 333 A CB -0.480 18.517 19.000 -0.005 0.000 0.827 333 A HN 0.463 nan 8.150 nan 0.000 0.457 334 E N 0.090 120.273 120.200 -0.029 0.000 2.112 334 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 334 E C 1.766 178.341 176.600 -0.042 0.000 0.979 334 E CA 1.200 57.569 56.400 -0.052 0.000 0.814 334 E CB -0.387 29.263 29.700 -0.083 0.000 0.762 334 E HN 0.201 nan 8.360 nan 0.000 0.460 335 V N 1.584 121.481 119.914 -0.029 0.000 2.278 335 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 335 V C -0.694 175.408 176.094 0.013 0.000 1.062 335 V CA 2.511 64.802 62.300 -0.015 0.000 1.038 335 V CB -1.522 30.296 31.823 -0.007 0.000 0.646 335 V HN 0.303 nan 8.190 nan 0.000 0.447 336 P HA -0.148 nan 4.420 nan 0.000 0.215 336 P C 1.766 179.097 177.300 0.053 0.000 1.157 336 P CA 1.508 64.653 63.100 0.076 0.000 0.868 336 P CB -0.123 31.628 31.700 0.084 0.000 0.788 337 R N -0.625 119.892 120.500 0.028 0.000 2.081 337 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 337 R C 2.126 178.444 176.300 0.030 0.000 1.131 337 R CA 1.359 57.471 56.100 0.020 0.000 0.960 337 R CB -1.290 29.014 30.300 0.006 0.000 0.856 337 R HN 0.109 nan 8.270 nan 0.000 0.436 338 V N 0.901 120.834 119.914 0.032 0.000 2.295 338 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 338 V C 2.473 178.610 176.094 0.072 0.000 1.049 338 V CA 1.851 64.209 62.300 0.097 0.000 1.024 338 V CB -0.613 31.212 31.823 0.004 0.000 0.648 338 V HN 0.329 nan 8.190 nan 0.000 0.447 339 R N 0.557 121.061 120.500 0.006 0.000 2.083 339 R HA -0.261 4.079 4.340 -0.000 0.000 0.237 339 R C 2.455 178.557 176.300 -0.329 0.000 1.137 339 R CA 2.363 58.433 56.100 -0.049 0.000 0.951 339 R CB -0.345 29.979 30.300 0.040 0.000 0.851 339 R HN 0.515 nan 8.270 nan 0.000 0.434 340 K N -0.090 119.991 120.400 -0.531 0.000 2.044 340 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 340 K C 1.940 178.233 176.600 -0.512 0.000 1.049 340 K CA 1.703 57.355 56.287 -1.058 0.000 0.927 340 K CB -0.275 31.907 32.500 -0.529 0.000 0.713 340 K HN 0.290 nan 8.250 nan 0.000 0.443 341 A N 0.774 123.483 122.820 -0.184 0.000 1.978 341 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 341 A C 2.130 179.669 177.584 -0.076 0.000 1.170 341 A CA 1.918 53.923 52.037 -0.054 0.000 0.636 341 A CB -0.655 18.412 19.000 0.111 0.000 0.810 341 A HN 0.505 nan 8.150 nan 0.000 0.448 342 A N -1.766 121.011 122.820 -0.071 0.000 2.278 342 A HA 0.432 4.752 4.320 -0.000 0.000 0.212 342 A C 1.605 179.128 177.584 -0.101 0.000 1.213 342 A CA 1.049 53.040 52.037 -0.078 0.000 0.840 342 A CB -1.011 17.990 19.000 0.003 0.000 0.866 342 A HN 1.934 nan 8.150 nan 0.000 0.489 343 G N -1.400 107.296 108.800 -0.173 0.000 2.149 343 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.235 343 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.235 343 G C 0.261 175.197 174.900 0.059 0.000 1.018 343 G CA -0.277 44.773 45.100 -0.083 0.000 0.728 343 G HN 0.936 nan 8.290 nan 0.000 0.508 344 F N -1.631 118.359 119.950 0.066 0.000 2.891 344 F HA -0.166 4.361 4.527 0.000 0.000 0.272 344 F C -0.979 174.888 175.800 0.112 0.000 1.004 344 F CA 0.513 58.568 58.000 0.091 0.000 0.938 344 F CB -1.196 37.877 39.000 0.122 0.000 0.939 344 F HN 0.359 nan 8.300 nan 0.000 0.833 345 P HA 0.237 nan 4.420 nan 0.000 0.279 345 P C -2.522 174.837 177.300 0.099 0.000 1.252 345 P CA -1.707 61.478 63.100 0.142 0.000 0.811 345 P CB 0.770 32.509 31.700 0.066 0.000 1.035 346 P HA 0.140 nan 4.420 nan 0.000 0.268 346 P C -0.095 177.211 177.300 0.010 0.000 1.204 346 P CA 0.400 63.495 63.100 -0.008 0.000 0.768 346 P CB 0.190 31.900 31.700 0.017 0.000 0.842 347 L N 3.995 125.212 121.223 -0.011 0.000 2.423 347 L HA 0.192 4.532 4.340 -0.000 0.000 0.249 347 L C 0.437 177.298 176.870 -0.016 0.000 1.276 347 L CA -0.317 54.518 54.840 -0.009 0.000 1.199 347 L CB -0.726 41.325 42.059 -0.013 0.000 1.407 347 L HN 0.199 nan 8.230 nan 0.000 0.410 348 V N -2.331 117.586 119.914 0.005 0.000 3.074 348 V HA 0.552 4.672 4.120 -0.000 0.000 0.314 348 V C 0.422 176.536 176.094 0.033 0.000 1.117 348 V CA -0.768 61.540 62.300 0.014 0.000 1.014 348 V CB 1.677 33.528 31.823 0.047 0.000 1.057 348 V HN 0.233 nan 8.190 nan 0.000 0.438 349 T N 4.011 118.591 114.554 0.044 0.000 2.934 349 T HA 0.237 4.587 4.350 -0.000 0.000 0.306 349 T C -1.765 172.978 174.700 0.071 0.000 1.042 349 T CA 0.394 62.524 62.100 0.050 0.000 1.145 349 T CB 0.997 69.905 68.868 0.067 0.000 0.982 349 T HN 0.826 nan 8.240 nan 0.000 0.544 350 P HA 0.068 nan 4.420 nan 0.000 0.226 350 P C 1.622 178.872 177.300 -0.083 0.000 1.161 350 P CA 0.269 63.348 63.100 -0.034 0.000 0.804 350 P CB 0.113 31.772 31.700 -0.069 0.000 0.829 351 S N 0.852 116.491 115.700 -0.102 0.000 2.406 351 S HA -0.274 4.196 4.470 -0.000 0.000 0.242 351 S C 2.102 176.674 174.600 -0.048 0.000 1.079 351 S CA 2.414 60.556 58.200 -0.096 0.000 1.133 351 S CB -1.440 61.733 63.200 -0.045 0.000 1.005 351 S HN 0.423 nan 8.310 nan 0.000 0.443 352 S N 1.806 117.491 115.700 -0.025 0.000 2.359 352 S HA -0.277 4.193 4.470 -0.000 0.000 0.222 352 S C 1.862 176.447 174.600 -0.025 0.000 1.038 352 S CA 1.531 59.720 58.200 -0.019 0.000 1.051 352 S CB -0.796 62.394 63.200 -0.017 0.000 0.944 352 S HN 0.456 nan 8.310 nan 0.000 0.433 353 Q N 1.495 121.280 119.800 -0.025 0.000 2.045 353 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 353 Q C 2.298 178.271 176.000 -0.044 0.000 0.991 353 Q CA 2.017 57.803 55.803 -0.028 0.000 0.851 353 Q CB -0.777 27.953 28.738 -0.012 0.000 0.911 353 Q HN 0.677 nan 8.270 nan 0.000 0.418 354 I N -0.356 120.188 120.570 -0.044 0.000 2.118 354 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 354 I C 2.048 178.169 176.117 0.008 0.000 1.070 354 I CA 1.186 62.474 61.300 -0.019 0.000 1.327 354 I CB -0.599 37.375 38.000 -0.043 0.000 1.034 354 I HN 0.066 nan 8.210 nan 0.000 0.405 355 V N 1.175 121.101 119.914 0.020 0.000 2.427 355 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 355 V C 2.574 178.625 176.094 -0.071 0.000 1.051 355 V CA 2.030 64.337 62.300 0.012 0.000 1.048 355 V CB -1.418 30.424 31.823 0.032 0.000 0.666 355 V HN 0.588 nan 8.190 nan 0.000 0.456 356 G N -0.106 108.654 108.800 -0.066 0.000 2.484 356 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 356 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 356 G C 1.702 176.520 174.900 -0.136 0.000 1.219 356 G CA 1.579 46.632 45.100 -0.079 0.000 0.791 356 G HN 0.423 nan 8.290 nan 0.000 0.550 357 T N 0.564 115.013 114.554 -0.176 0.000 2.665 357 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 357 T C 2.379 176.745 174.700 -0.558 0.000 1.035 357 T CA 1.902 63.812 62.100 -0.317 0.000 1.151 357 T CB -0.246 68.419 68.868 -0.338 0.000 0.862 357 T HN 0.326 nan 8.240 nan 0.000 0.438 358 Q N 0.999 120.502 119.800 -0.494 0.000 2.170 358 Q HA 0.062 4.402 4.340 -0.000 0.000 0.203 358 Q C 2.221 178.006 176.000 -0.358 0.000 0.976 358 Q CA 1.629 57.092 55.803 -0.567 0.000 0.858 358 Q CB -0.657 27.660 28.738 -0.702 0.000 0.907 358 Q HN 0.535 nan 8.270 nan 0.000 0.433 359 A N -0.737 121.934 122.820 -0.249 0.000 1.898 359 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 359 A C 2.267 179.796 177.584 -0.092 0.000 1.181 359 A CA 1.518 53.458 52.037 -0.161 0.000 0.620 359 A CB -0.883 18.052 19.000 -0.108 0.000 0.819 359 A HN 0.256 nan 8.150 nan 0.000 0.442 360 V N -0.658 119.220 119.914 -0.059 0.000 2.324 360 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 360 V C 2.351 178.566 176.094 0.203 0.000 1.060 360 V CA 2.211 64.547 62.300 0.060 0.000 1.042 360 V CB -0.982 30.900 31.823 0.099 0.000 0.650 360 V HN 0.652 nan 8.190 nan 0.000 0.450 361 F N 0.484 120.378 119.950 -0.093 0.000 2.102 361 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 361 F C 2.389 178.116 175.800 -0.121 0.000 1.105 361 F CA 1.718 59.664 58.000 -0.089 0.000 1.239 361 F CB -0.500 38.452 39.000 -0.079 0.000 0.991 361 F HN 0.278 nan 8.300 nan 0.000 0.474 362 N N 0.084 118.795 118.700 0.018 0.000 2.364 362 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 362 N C 1.625 177.074 175.510 -0.102 0.000 1.022 362 N CA 0.707 53.671 53.050 -0.144 0.000 0.883 362 N CB -0.058 38.214 38.487 -0.358 0.000 0.965 362 N HN 0.084 nan 8.380 nan 0.000 0.438 363 V N 1.167 121.050 119.914 -0.052 0.000 2.407 363 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 363 V C 2.069 178.144 176.094 -0.031 0.000 1.041 363 V CA 1.181 63.455 62.300 -0.042 0.000 1.040 363 V CB -0.152 31.656 31.823 -0.025 0.000 0.671 363 V HN 0.277 nan 8.190 nan 0.000 0.455 364 M N -0.540 119.050 119.600 -0.017 0.000 2.102 364 M HA 0.081 4.561 4.480 -0.000 0.000 0.240 364 M C 2.133 178.400 176.300 -0.054 0.000 1.170 364 M CA 1.590 56.869 55.300 -0.034 0.000 1.121 364 M CB -1.226 31.350 32.600 -0.040 0.000 1.180 364 M HN 0.156 nan 8.290 nan 0.000 0.436 365 M N 0.727 120.279 119.600 -0.080 0.000 2.706 365 M HA 0.123 4.603 4.480 -0.000 0.000 0.251 365 M C 0.607 176.873 176.300 -0.056 0.000 1.070 365 M CA 0.568 55.817 55.300 -0.086 0.000 1.073 365 M CB -1.053 31.462 32.600 -0.141 0.000 1.449 365 M HN 0.625 nan 8.290 nan 0.000 0.531 366 G N 1.335 110.102 108.800 -0.055 0.000 2.663 366 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 366 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 366 G C -0.713 174.133 174.900 -0.090 0.000 1.246 366 G CA -0.852 44.211 45.100 -0.061 0.000 0.795 366 G HN 0.472 nan 8.290 nan 0.000 0.627 367 E N 0.379 120.498 120.200 -0.135 0.000 2.905 367 E HA 0.161 4.511 4.350 -0.000 0.000 0.240 367 E C 0.822 177.331 176.600 -0.152 0.000 0.990 367 E CA 0.855 57.094 56.400 -0.268 0.000 0.954 367 E CB -0.623 28.958 29.700 -0.198 0.000 0.908 367 E HN 0.989 nan 8.360 nan 0.000 0.532 368 Y N 2.130 122.427 120.300 -0.005 0.000 3.662 368 Y HA -0.369 4.181 4.550 -0.000 0.000 0.213 368 Y C 1.468 177.391 175.900 0.039 0.000 1.133 368 Y CA 0.501 58.610 58.100 0.016 0.000 1.463 368 Y CB -0.687 37.794 38.460 0.035 0.000 1.423 368 Y HN 0.557 nan 8.280 nan 0.000 0.616 369 K N 0.743 121.210 120.400 0.112 0.000 2.209 369 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 369 K C 0.874 177.525 176.600 0.085 0.000 1.048 369 K CA 1.144 57.476 56.287 0.075 0.000 0.940 369 K CB 0.057 32.566 32.500 0.017 0.000 0.729 369 K HN 0.460 nan 8.250 nan 0.000 0.451 370 R N 0.158 120.731 120.500 0.122 0.000 2.549 370 R HA 0.236 4.575 4.340 -0.000 0.000 0.291 370 R C -1.265 175.212 176.300 0.295 0.000 1.164 370 R CA -0.138 56.046 56.100 0.139 0.000 0.973 370 R CB 0.668 30.980 30.300 0.020 0.000 1.210 370 R HN -0.074 nan 8.270 nan 0.000 0.422 371 M N 2.863 122.631 119.600 0.280 0.000 2.318 371 M HA 0.234 4.714 4.480 -0.000 0.000 0.347 371 M C 0.842 177.326 176.300 0.307 0.000 1.175 371 M CA -0.572 54.925 55.300 0.328 0.000 1.075 371 M CB 1.935 34.757 32.600 0.368 0.000 1.614 371 M HN 0.653 nan 8.290 nan 0.000 0.456 372 T N -0.275 114.443 114.554 0.274 0.000 2.748 372 T HA 0.206 4.556 4.350 -0.000 0.000 0.304 372 T C 1.257 176.065 174.700 0.180 0.000 1.041 372 T CA -0.209 62.019 62.100 0.212 0.000 1.033 372 T CB 0.801 69.713 68.868 0.074 0.000 0.995 372 T HN 0.823 nan 8.240 nan 0.000 0.536 373 G N 0.277 109.150 108.800 0.123 0.000 2.403 373 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.216 373 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.216 373 G C 1.250 176.199 174.900 0.081 0.000 1.154 373 G CA 0.491 45.633 45.100 0.071 0.000 0.784 373 G HN 0.779 nan 8.290 nan 0.000 0.538 374 E N 0.159 120.434 120.200 0.125 0.000 2.047 374 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 374 E C 1.914 178.627 176.600 0.187 0.000 0.987 374 E CA 0.615 57.131 56.400 0.192 0.000 0.799 374 E CB -0.506 29.282 29.700 0.146 0.000 0.752 374 E HN 0.402 nan 8.360 nan 0.000 0.449 375 F N 1.252 121.221 119.950 0.031 0.000 2.134 375 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 375 F C 2.136 177.956 175.800 0.033 0.000 1.097 375 F CA 1.353 59.357 58.000 0.008 0.000 1.264 375 F CB -0.479 38.509 39.000 -0.020 0.000 1.001 375 F HN 0.025 nan 8.300 nan 0.000 0.479 376 A N -0.044 122.780 122.820 0.007 0.000 1.902 376 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 376 A C 1.967 179.485 177.584 -0.109 0.000 1.181 376 A CA 2.026 54.016 52.037 -0.079 0.000 0.623 376 A CB -1.052 17.954 19.000 0.011 0.000 0.818 376 A HN 0.416 nan 8.150 nan 0.000 0.443 377 D N -0.111 120.271 120.400 -0.029 0.000 2.178 377 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 377 D C 1.804 178.198 176.300 0.155 0.000 0.980 377 D CA 0.892 54.905 54.000 0.022 0.000 0.842 377 D CB -0.242 40.523 40.800 -0.059 0.000 0.948 377 D HN 0.531 nan 8.370 nan 0.000 0.472 378 I N 0.163 120.795 120.570 0.104 0.000 2.233 378 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 378 I C 2.131 178.150 176.117 -0.163 0.000 1.093 378 I CA 0.683 61.997 61.300 0.023 0.000 1.380 378 I CB -0.123 37.744 38.000 -0.222 0.000 1.067 378 I HN 0.003 nan 8.210 nan 0.000 0.413 379 M N 0.214 119.586 119.600 -0.381 0.000 2.229 379 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 379 M C 2.245 178.458 176.300 -0.145 0.000 1.063 379 M CA 1.639 56.744 55.300 -0.325 0.000 1.114 379 M CB -0.955 31.379 32.600 -0.443 0.000 1.387 379 M HN 0.247 nan 8.290 nan 0.000 0.420 380 L N -0.862 120.326 121.223 -0.059 0.000 2.554 380 L HA 0.104 4.443 4.340 -0.000 0.000 0.226 380 L C 1.463 178.320 176.870 -0.022 0.000 1.137 380 L CA 0.508 55.374 54.840 0.043 0.000 0.863 380 L CB -0.498 41.690 42.059 0.214 0.000 0.985 380 L HN 0.583 nan 8.230 nan 0.000 0.451 381 G N -1.380 107.393 108.800 -0.045 0.000 2.176 381 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.232 381 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.232 381 G C 0.419 175.158 174.900 -0.268 0.000 0.986 381 G CA 0.008 45.014 45.100 -0.156 0.000 0.643 381 G HN 0.307 nan 8.290 nan 0.000 0.522 382 Y N -0.723 119.454 120.300 -0.205 0.000 2.616 382 Y HA 0.238 4.787 4.550 -0.000 0.000 0.296 382 Y C 2.131 177.675 175.900 -0.595 0.000 1.154 382 Y CA 1.211 59.082 58.100 -0.381 0.000 1.325 382 Y CB -0.071 38.126 38.460 -0.439 0.000 1.007 382 Y HN 0.449 nan 8.280 nan 0.000 0.542 383 Y N -0.759 119.465 120.300 -0.127 0.000 2.444 383 Y HA 0.429 4.979 4.550 -0.000 0.000 0.249 383 Y C 1.419 177.307 175.900 -0.021 0.000 1.134 383 Y CA 0.223 58.254 58.100 -0.116 0.000 1.261 383 Y CB 0.557 38.997 38.460 -0.034 0.000 1.143 383 Y HN 0.033 nan 8.280 nan 0.000 0.523 384 G N 0.241 109.063 108.800 0.036 0.000 2.396 384 G HA2 0.182 4.142 3.960 -0.000 0.000 0.254 384 G HA3 0.182 4.142 3.960 -0.000 0.000 0.254 384 G C -0.966 173.939 174.900 0.008 0.000 1.248 384 G CA -0.756 44.361 45.100 0.028 0.000 1.033 384 G HN 0.386 nan 8.290 nan 0.000 0.502 385 A N -0.375 122.450 122.820 0.009 0.000 2.340 385 A HA 0.795 5.115 4.320 -0.000 0.000 0.268 385 A C 0.740 178.337 177.584 0.023 0.000 1.100 385 A CA 0.953 52.990 52.037 0.000 0.000 0.803 385 A CB 0.602 19.599 19.000 -0.004 0.000 1.043 385 A HN 1.754 nan 8.150 nan 0.000 0.488 386 S N 1.848 117.557 115.700 0.015 0.000 2.687 386 S HA 0.433 4.903 4.470 -0.000 0.000 0.283 386 S C -1.729 172.898 174.600 0.045 0.000 1.170 386 S CA -0.865 57.358 58.200 0.037 0.000 1.008 386 S CB 1.106 64.318 63.200 0.020 0.000 1.026 386 S HN 0.585 nan 8.310 nan 0.000 0.541 387 P HA 0.037 nan 4.420 nan 0.000 0.216 387 P C -0.152 177.147 177.300 -0.001 0.000 1.150 387 P CA 0.968 64.085 63.100 0.028 0.000 0.837 387 P CB 0.200 31.953 31.700 0.089 0.000 0.786 388 A N -1.191 121.672 122.820 0.071 0.000 2.387 388 A HA 0.447 4.767 4.320 -0.000 0.000 0.303 388 A C -0.796 176.812 177.584 0.039 0.000 1.145 388 A CA -0.648 51.433 52.037 0.073 0.000 0.801 388 A CB 0.607 19.729 19.000 0.204 0.000 1.342 388 A HN -0.183 nan 8.150 nan 0.000 0.440 389 D N 1.181 121.596 120.400 0.025 0.000 2.389 389 D HA 0.268 4.908 4.640 -0.000 0.000 0.247 389 D C 0.138 176.428 176.300 -0.016 0.000 1.128 389 D CA 0.429 54.428 54.000 -0.001 0.000 0.884 389 D CB 0.622 41.421 40.800 -0.003 0.000 1.194 389 D HN 0.369 nan 8.370 nan 0.000 0.441 390 R N 1.125 121.601 120.500 -0.039 0.000 2.582 390 R HA 0.079 4.419 4.340 -0.000 0.000 0.271 390 R C 0.181 176.448 176.300 -0.054 0.000 1.078 390 R CA -0.642 55.420 56.100 -0.064 0.000 1.127 390 R CB 0.577 30.826 30.300 -0.085 0.000 1.038 390 R HN 0.337 nan 8.270 nan 0.000 0.500 391 D N 2.936 123.301 120.400 -0.058 0.000 2.402 391 D HA -0.009 4.631 4.640 -0.000 0.000 0.268 391 D C -1.574 174.700 176.300 -0.043 0.000 1.294 391 D CA -1.646 52.332 54.000 -0.038 0.000 0.945 391 D CB 0.973 41.757 40.800 -0.026 0.000 1.112 391 D HN 0.205 nan 8.370 nan 0.000 0.517 392 P HA -0.162 nan 4.420 nan 0.000 0.218 392 P C 0.936 178.220 177.300 -0.027 0.000 1.146 392 P CA 1.375 64.457 63.100 -0.029 0.000 0.813 392 P CB 0.295 31.984 31.700 -0.018 0.000 0.778 393 K N -0.803 119.586 120.400 -0.018 0.000 2.031 393 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 393 K C 1.917 178.498 176.600 -0.031 0.000 1.049 393 K CA 1.189 57.471 56.287 -0.009 0.000 0.939 393 K CB -0.918 31.590 32.500 0.014 0.000 0.717 393 K HN -0.005 nan 8.250 nan 0.000 0.438 394 V N 1.405 121.278 119.914 -0.068 0.000 2.626 394 V HA -0.184 3.936 4.120 -0.000 0.000 0.252 394 V C 2.242 178.252 176.094 -0.139 0.000 1.067 394 V CA 1.243 63.441 62.300 -0.169 0.000 1.081 394 V CB -0.268 31.377 31.823 -0.297 0.000 0.686 394 V HN 0.094 nan 8.190 nan 0.000 0.468 395 V N -0.032 119.821 119.914 -0.102 0.000 2.307 395 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 395 V C 2.437 178.496 176.094 -0.058 0.000 1.045 395 V CA 2.402 64.648 62.300 -0.091 0.000 1.024 395 V CB -0.605 31.174 31.823 -0.073 0.000 0.651 395 V HN 0.548 nan 8.190 nan 0.000 0.449 396 K N -0.069 120.307 120.400 -0.040 0.000 2.020 396 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 396 K C 2.179 178.772 176.600 -0.013 0.000 1.050 396 K CA 1.879 58.154 56.287 -0.020 0.000 0.929 396 K CB -0.335 32.158 32.500 -0.012 0.000 0.714 396 K HN 0.361 nan 8.250 nan 0.000 0.443 397 L N 0.486 121.702 121.223 -0.012 0.000 1.997 397 L HA -0.278 4.062 4.340 -0.000 0.000 0.216 397 L C 2.703 179.580 176.870 0.012 0.000 1.074 397 L CA 1.575 56.420 54.840 0.008 0.000 0.763 397 L CB -0.842 41.226 42.059 0.015 0.000 0.890 397 L HN 0.376 nan 8.230 nan 0.000 0.434 398 A N -0.013 122.802 122.820 -0.008 0.000 1.892 398 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 398 A C 2.265 179.849 177.584 -0.001 0.000 1.188 398 A CA 2.205 54.242 52.037 -0.000 0.000 0.631 398 A CB -0.711 18.258 19.000 -0.051 0.000 0.822 398 A HN 0.556 nan 8.150 nan 0.000 0.447 399 E N -0.098 120.098 120.200 -0.007 0.000 2.153 399 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 399 E C 1.561 178.162 176.600 0.003 0.000 0.988 399 E CA 1.375 57.775 56.400 -0.001 0.000 0.811 399 E CB -0.133 29.566 29.700 -0.001 0.000 0.746 399 E HN 0.772 nan 8.360 nan 0.000 0.466 400 E N -0.439 119.765 120.200 0.007 0.000 2.489 400 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 400 E C 1.200 177.810 176.600 0.017 0.000 1.057 400 E CA 0.191 56.598 56.400 0.011 0.000 0.866 400 E CB 0.341 30.049 29.700 0.014 0.000 0.916 400 E HN 0.360 nan 8.360 nan 0.000 0.500 401 Q N -0.543 119.270 119.800 0.022 0.000 2.189 401 Q HA 0.091 4.431 4.340 -0.000 0.000 0.223 401 Q C 1.354 177.366 176.000 0.021 0.000 0.828 401 Q CA 0.287 56.108 55.803 0.031 0.000 0.967 401 Q CB 1.060 29.832 28.738 0.058 0.000 1.139 401 Q HN 0.143 nan 8.270 nan 0.000 0.497 402 S N -2.493 113.209 115.700 0.003 0.000 2.679 402 S HA 0.262 4.732 4.470 -0.000 0.000 0.258 402 S C 1.389 175.971 174.600 -0.029 0.000 1.068 402 S CA 0.362 58.551 58.200 -0.018 0.000 1.115 402 S CB 0.816 63.993 63.200 -0.039 0.000 1.078 402 S HN 0.339 nan 8.310 nan 0.000 0.603 403 G N 1.908 110.699 108.800 -0.016 0.000 2.166 403 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 403 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 403 G C -0.076 174.812 174.900 -0.020 0.000 0.986 403 G CA 0.702 45.793 45.100 -0.015 0.000 0.683 403 G HN 0.617 nan 8.290 nan 0.000 0.527 404 K N 0.072 120.455 120.400 -0.029 0.000 2.118 404 K HA 0.458 4.778 4.320 -0.000 0.000 0.267 404 K C 0.323 176.948 176.600 0.043 0.000 0.991 404 K CA -0.540 55.735 56.287 -0.019 0.000 0.916 404 K CB 1.225 33.661 32.500 -0.108 0.000 1.041 404 K HN 0.125 nan 8.250 nan 0.000 0.455 405 K N 2.779 123.231 120.400 0.087 0.000 2.156 405 K HA 0.275 4.595 4.320 -0.000 0.000 0.271 405 K C -2.469 174.186 176.600 0.091 0.000 0.995 405 K CA -2.063 54.264 56.287 0.067 0.000 0.890 405 K CB 1.024 33.547 32.500 0.039 0.000 1.073 405 K HN 0.218 nan 8.250 nan 0.000 0.454 406 P HA 0.028 nan 4.420 nan 0.000 0.268 406 P C -0.827 176.407 177.300 -0.110 0.000 1.205 406 P CA 0.062 63.148 63.100 -0.024 0.000 0.771 406 P CB 0.365 32.044 31.700 -0.035 0.000 0.858 407 I N -1.389 119.039 120.570 -0.236 0.000 2.934 407 I HA 0.670 4.840 4.170 -0.000 0.000 0.306 407 I C 0.251 176.226 176.117 -0.236 0.000 1.110 407 I CA -0.658 60.469 61.300 -0.289 0.000 1.019 407 I CB 2.720 40.412 38.000 -0.513 0.000 1.227 407 I HN 0.301 nan 8.210 nan 0.000 0.434 408 T N -1.345 113.101 114.554 -0.178 0.000 3.130 408 T HA 0.218 4.568 4.350 -0.000 0.000 0.288 408 T C 0.353 174.985 174.700 -0.113 0.000 0.936 408 T CA -0.105 61.917 62.100 -0.130 0.000 0.897 408 T CB 0.015 68.829 68.868 -0.089 0.000 1.178 408 T HN 0.685 nan 8.240 nan 0.000 0.543 409 Q N 2.312 122.034 119.800 -0.131 0.000 2.193 409 Q HA 0.454 4.794 4.340 -0.000 0.000 0.246 409 Q C -0.001 175.934 176.000 -0.109 0.000 0.959 409 Q CA -0.972 54.770 55.803 -0.101 0.000 0.904 409 Q CB 1.138 29.821 28.738 -0.092 0.000 1.238 409 Q HN 0.341 nan 8.270 nan 0.000 0.469 410 R N 3.047 123.505 120.500 -0.070 0.000 2.501 410 R HA -0.072 4.268 4.340 -0.000 0.000 0.319 410 R C -1.671 174.585 176.300 -0.073 0.000 0.913 410 R CA -0.547 55.526 56.100 -0.046 0.000 1.104 410 R CB 0.085 30.371 30.300 -0.024 0.000 0.901 410 R HN 0.551 nan 8.270 nan 0.000 0.407 411 P HA -0.179 nan 4.420 nan 0.000 0.220 411 P C 0.425 177.678 177.300 -0.079 0.000 1.144 411 P CA 1.600 64.604 63.100 -0.161 0.000 0.800 411 P CB 0.207 31.725 31.700 -0.303 0.000 0.772 412 A N -0.751 122.070 122.820 0.002 0.000 2.119 412 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 412 A C 1.733 179.294 177.584 -0.039 0.000 1.152 412 A CA 1.311 53.347 52.037 -0.001 0.000 0.708 412 A CB -1.097 17.914 19.000 0.018 0.000 0.805 412 A HN 0.062 nan 8.150 nan 0.000 0.460 413 D N 0.035 120.404 120.400 -0.052 0.000 2.218 413 D HA -0.083 4.557 4.640 -0.000 0.000 0.204 413 D C 1.603 177.873 176.300 -0.050 0.000 0.976 413 D CA 0.918 54.884 54.000 -0.057 0.000 0.853 413 D CB -0.092 40.672 40.800 -0.061 0.000 0.939 413 D HN 0.507 nan 8.370 nan 0.000 0.481 414 L N -0.336 120.855 121.223 -0.053 0.000 2.477 414 L HA 0.150 4.490 4.340 -0.000 0.000 0.220 414 L C 0.502 177.357 176.870 -0.025 0.000 1.106 414 L CA -0.061 54.756 54.840 -0.039 0.000 0.851 414 L CB -0.106 41.930 42.059 -0.039 0.000 0.994 414 L HN -0.066 nan 8.230 nan 0.000 0.462 415 L N 2.837 124.044 121.223 -0.027 0.000 2.367 415 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 415 L C -1.888 174.982 176.870 0.000 0.000 1.129 415 L CA -1.565 53.266 54.840 -0.015 0.000 0.839 415 L CB 0.171 42.221 42.059 -0.015 0.000 1.133 415 L HN -0.122 nan 8.230 nan 0.000 0.453 416 P HA 0.354 nan 4.420 nan 0.000 0.278 416 P C -2.692 174.638 177.300 0.049 0.000 1.258 416 P CA -2.084 61.031 63.100 0.024 0.000 0.811 416 P CB 0.391 32.105 31.700 0.023 0.000 1.063 417 P HA 0.026 nan 4.420 nan 0.000 0.266 417 P C 0.350 177.720 177.300 0.117 0.000 1.195 417 P CA 0.537 63.693 63.100 0.093 0.000 0.768 417 P CB 0.203 31.953 31.700 0.084 0.000 0.838 418 E N 1.195 121.497 120.200 0.172 0.000 2.633 418 E HA 0.007 4.357 4.350 -0.000 0.000 0.222 418 E C 1.211 177.939 176.600 0.214 0.000 0.899 418 E CA -0.434 56.068 56.400 0.170 0.000 1.292 418 E CB -0.703 29.098 29.700 0.167 0.000 1.257 418 E HN 0.438 nan 8.360 nan 0.000 0.626 419 W N 2.709 124.061 121.300 0.086 0.000 2.315 419 W HA -0.245 4.415 4.660 -0.000 0.000 0.323 419 W C 1.503 178.073 176.519 0.085 0.000 1.233 419 W CA 2.457 59.857 57.345 0.092 0.000 1.267 419 W CB 0.060 29.567 29.460 0.078 0.000 1.160 419 W HN 0.120 nan 8.180 nan 0.000 0.474 420 E N 0.525 120.831 120.200 0.176 0.000 2.097 420 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 420 E C 2.139 178.710 176.600 -0.049 0.000 1.000 420 E CA 2.216 58.643 56.400 0.046 0.000 0.804 420 E CB -0.629 29.134 29.700 0.105 0.000 0.740 420 E HN 0.269 nan 8.360 nan 0.000 0.454 421 K N -0.117 120.283 120.400 0.000 0.000 2.002 421 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 421 K C 2.062 178.642 176.600 -0.033 0.000 1.048 421 K CA 1.419 57.705 56.287 -0.002 0.000 0.930 421 K CB -0.046 32.481 32.500 0.044 0.000 0.714 421 K HN 0.059 nan 8.250 nan 0.000 0.438 422 Q N 0.570 120.349 119.800 -0.035 0.000 2.096 422 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 422 Q C 2.324 178.203 176.000 -0.201 0.000 0.982 422 Q CA 1.684 57.486 55.803 -0.001 0.000 0.850 422 Q CB -0.326 28.400 28.738 -0.019 0.000 0.901 422 Q HN 0.322 nan 8.270 nan 0.000 0.422 423 S N 1.074 116.513 115.700 -0.436 0.000 2.353 423 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 423 S C 1.875 176.263 174.600 -0.355 0.000 1.035 423 S CA 1.348 59.273 58.200 -0.459 0.000 1.025 423 S CB -0.200 62.722 63.200 -0.463 0.000 0.902 423 S HN 0.314 nan 8.310 nan 0.000 0.440 424 K N 0.935 121.185 120.400 -0.250 0.000 2.063 424 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 424 K C 2.064 178.490 176.600 -0.290 0.000 1.048 424 K CA 1.536 57.691 56.287 -0.220 0.000 0.928 424 K CB -0.145 32.278 32.500 -0.127 0.000 0.713 424 K HN 0.428 nan 8.250 nan 0.000 0.442 425 E N -0.360 119.671 120.200 -0.281 0.000 2.106 425 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 425 E C 1.894 178.076 176.600 -0.697 0.000 0.984 425 E CA 0.928 57.109 56.400 -0.364 0.000 0.806 425 E CB -0.051 29.539 29.700 -0.183 0.000 0.750 425 E HN 0.375 nan 8.360 nan 0.000 0.458 426 A N 1.372 123.689 122.820 -0.838 0.000 1.969 426 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 426 A C 2.309 179.147 177.584 -1.242 0.000 1.169 426 A CA 1.301 52.771 52.037 -0.944 0.000 0.635 426 A CB -0.359 18.318 19.000 -0.539 0.000 0.810 426 A HN 0.260 nan 8.150 nan 0.000 0.445 427 A N -0.238 121.846 122.820 -1.226 0.000 2.209 427 A HA 0.052 4.372 4.320 -0.000 0.000 0.212 427 A C 2.080 179.364 177.584 -0.500 0.000 1.158 427 A CA 1.847 53.231 52.037 -1.088 0.000 0.742 427 A CB -0.954 17.684 19.000 -0.603 0.000 0.790 427 A HN 0.716 nan 8.150 nan 0.000 0.472 428 T N -2.548 111.765 114.554 -0.403 0.000 3.081 428 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 428 T C 0.419 175.038 174.700 -0.136 0.000 1.100 428 T CA -0.196 61.776 62.100 -0.214 0.000 1.038 428 T CB -0.431 68.331 68.868 -0.177 0.000 0.962 428 T HN 0.214 nan 8.240 nan 0.000 0.516 429 L N 2.046 123.187 121.223 -0.136 0.000 2.326 429 L HA 0.420 4.760 4.340 -0.000 0.000 0.278 429 L C 0.473 177.391 176.870 0.080 0.000 1.092 429 L CA -1.026 53.832 54.840 0.031 0.000 0.810 429 L CB 1.036 43.215 42.059 0.199 0.000 1.153 429 L HN 0.134 nan 8.230 nan 0.000 0.439 430 K N 2.162 122.607 120.400 0.074 0.000 2.447 430 K HA 0.226 4.546 4.320 -0.000 0.000 0.281 430 K C 0.930 177.576 176.600 0.077 0.000 1.031 430 K CA 0.967 57.283 56.287 0.049 0.000 1.019 430 K CB 0.329 32.841 32.500 0.020 0.000 0.918 430 K HN 0.843 nan 8.250 nan 0.000 0.476 431 G N 4.178 112.986 108.800 0.012 0.000 2.259 431 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 431 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 431 G C 0.029 174.785 174.900 -0.240 0.000 1.001 431 G CA -0.083 44.985 45.100 -0.053 0.000 0.627 431 G HN 0.692 nan 8.290 nan 0.000 0.501 432 F N 3.221 122.895 119.950 -0.460 0.000 2.623 432 F HA 0.324 4.851 4.527 0.000 0.000 0.383 432 F C 1.312 176.852 175.800 -0.433 0.000 1.077 432 F CA 0.845 58.403 58.000 -0.736 0.000 1.268 432 F CB 0.650 39.379 39.000 -0.452 0.000 1.053 432 F HN 0.241 nan 8.300 nan 0.000 0.571 433 N N 3.209 121.245 118.700 -1.105 0.000 2.230 433 N HA 0.230 4.970 4.740 -0.000 0.000 0.202 433 N C 1.063 176.131 175.510 -0.736 0.000 1.119 433 N CA 0.349 52.978 53.050 -0.702 0.000 0.851 433 N CB 0.760 38.971 38.487 -0.459 0.000 0.990 433 N HN 0.928 nan 8.380 nan 0.000 0.497 434 G N -0.377 107.600 108.800 -1.373 0.000 2.253 434 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 434 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 434 G C 0.334 175.041 174.900 -0.323 0.000 0.998 434 G CA 0.591 45.375 45.100 -0.527 0.000 0.621 434 G HN 0.835 nan 8.290 nan 0.000 0.524 435 T N -0.896 113.399 114.554 -0.433 0.000 2.899 435 T HA 0.501 4.851 4.350 -0.000 0.000 0.295 435 T C 1.035 175.698 174.700 -0.061 0.000 1.033 435 T CA 0.434 62.411 62.100 -0.206 0.000 1.084 435 T CB 1.376 70.099 68.868 -0.242 0.000 0.979 435 T HN 0.013 nan 8.240 nan 0.000 0.532 436 D N 1.419 121.855 120.400 0.060 0.000 2.144 436 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 436 D C 1.884 178.276 176.300 0.153 0.000 0.984 436 D CA 1.234 55.414 54.000 0.301 0.000 0.834 436 D CB -0.200 40.791 40.800 0.317 0.000 0.955 436 D HN 0.746 nan 8.370 nan 0.000 0.465 437 E N 0.805 120.876 120.200 -0.215 0.000 2.086 437 E HA -0.200 4.150 4.350 -0.000 0.000 0.205 437 E C 1.674 178.318 176.600 0.074 0.000 1.027 437 E CA 1.463 57.523 56.400 -0.567 0.000 0.830 437 E CB -0.178 28.904 29.700 -1.030 0.000 0.751 437 E HN 0.213 nan 8.360 nan 0.000 0.456 438 D N -0.840 119.621 120.400 0.101 0.000 2.117 438 D HA -0.100 4.539 4.640 -0.000 0.000 0.197 438 D C 1.880 178.570 176.300 0.651 0.000 0.987 438 D CA 0.754 54.978 54.000 0.372 0.000 0.829 438 D CB -0.072 40.583 40.800 -0.241 0.000 0.961 438 D HN -0.003 nan 8.370 nan 0.000 0.460 439 V N 0.628 120.840 119.914 0.496 0.000 2.332 439 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 439 V C 2.517 178.858 176.094 0.413 0.000 1.055 439 V CA 1.216 63.748 62.300 0.388 0.000 1.038 439 V CB -0.482 31.302 31.823 -0.065 0.000 0.651 439 V HN 0.253 nan 8.190 nan 0.000 0.450 440 L N -0.474 121.048 121.223 0.497 0.000 2.046 440 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 440 L C 2.642 179.867 176.870 0.591 0.000 1.077 440 L CA 1.929 57.106 54.840 0.561 0.000 0.747 440 L CB -0.973 41.519 42.059 0.722 0.000 0.896 440 L HN 0.325 nan 8.230 nan 0.000 0.432 441 T N -1.323 113.707 114.554 0.793 0.000 2.720 441 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 441 T C 1.683 176.738 174.700 0.592 0.000 1.037 441 T CA 1.585 64.189 62.100 0.840 0.000 1.144 441 T CB -0.327 69.064 68.868 0.872 0.000 0.864 441 T HN 0.346 nan 8.240 nan 0.000 0.444 442 Y N 1.831 122.397 120.300 0.442 0.000 2.200 442 Y HA 0.092 4.642 4.550 -0.000 0.000 0.290 442 Y C 2.435 178.468 175.900 0.222 0.000 1.137 442 Y CA 0.752 59.028 58.100 0.293 0.000 1.163 442 Y CB -0.688 37.962 38.460 0.317 0.000 0.988 442 Y HN 0.162 nan 8.280 nan 0.000 0.518 443 A N 0.133 123.016 122.820 0.105 0.000 1.930 443 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 443 A C 2.204 179.766 177.584 -0.036 0.000 1.175 443 A CA 1.727 53.758 52.037 -0.009 0.000 0.627 443 A CB -0.972 18.068 19.000 0.065 0.000 0.815 443 A HN 0.542 nan 8.150 nan 0.000 0.443 444 L N -2.716 118.449 121.223 -0.098 0.000 2.209 444 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 444 L C 0.031 176.457 176.870 -0.739 0.000 1.094 444 L CA 0.581 55.186 54.840 -0.392 0.000 0.790 444 L CB 0.016 41.791 42.059 -0.473 0.000 0.932 444 L HN 0.354 nan 8.230 nan 0.000 0.447 445 F N -1.431 118.589 119.950 0.116 0.000 2.710 445 F HA 0.309 4.836 4.527 -0.000 0.000 0.345 445 F C -1.852 173.905 175.800 -0.073 0.000 1.362 445 F CA -1.608 56.418 58.000 0.043 0.000 1.175 445 F CB 0.482 39.512 39.000 0.050 0.000 1.561 445 F HN -0.229 nan 8.300 nan 0.000 0.593 446 P HA -0.223 nan 4.420 nan 0.000 0.216 446 P C 1.507 178.794 177.300 -0.021 0.000 1.154 446 P CA 1.603 64.528 63.100 -0.292 0.000 0.865 446 P CB 0.283 31.794 31.700 -0.315 0.000 0.789 447 Q N -1.044 118.748 119.800 -0.013 0.000 2.297 447 Q HA -0.023 4.316 4.340 -0.000 0.000 0.204 447 Q C 1.984 178.017 176.000 0.054 0.000 0.962 447 Q CA 1.145 56.960 55.803 0.021 0.000 0.879 447 Q CB -0.694 28.033 28.738 -0.018 0.000 0.947 447 Q HN 0.255 nan 8.270 nan 0.000 0.462 448 V N 0.116 120.077 119.914 0.079 0.000 2.788 448 V HA 0.094 4.214 4.120 -0.000 0.000 0.241 448 V C 2.327 178.445 176.094 0.040 0.000 1.083 448 V CA 0.899 63.224 62.300 0.040 0.000 1.103 448 V CB -0.920 30.878 31.823 -0.041 0.000 0.800 448 V HN 0.180 nan 8.190 nan 0.000 0.476 449 A N 1.260 124.101 122.820 0.035 0.000 1.929 449 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 449 A C 0.475 177.881 177.584 -0.296 0.000 1.211 449 A CA 2.764 54.671 52.037 -0.218 0.000 0.657 449 A CB -2.025 16.961 19.000 -0.024 0.000 0.827 449 A HN 0.533 nan 8.150 nan 0.000 0.462 450 P HA -0.113 nan 4.420 nan 0.000 0.214 450 P C 1.690 179.052 177.300 0.102 0.000 1.163 450 P CA 1.605 64.770 63.100 0.110 0.000 0.883 450 P CB -0.194 31.586 31.700 0.133 0.000 0.788 451 V N -0.797 119.183 119.914 0.110 0.000 2.295 451 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 451 V C 2.243 178.478 176.094 0.235 0.000 1.049 451 V CA 1.848 64.251 62.300 0.171 0.000 1.024 451 V CB -1.410 30.525 31.823 0.188 0.000 0.648 451 V HN 0.010 nan 8.190 nan 0.000 0.447 452 F N 0.716 120.683 119.950 0.027 0.000 2.075 452 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 452 F C 2.178 178.082 175.800 0.174 0.000 1.113 452 F CA 1.375 59.403 58.000 0.048 0.000 1.218 452 F CB -0.760 38.189 39.000 -0.085 0.000 0.984 452 F HN 0.131 nan 8.300 nan 0.000 0.472 453 F N 0.532 120.429 119.950 -0.087 0.000 2.192 453 F HA -0.254 4.272 4.527 -0.000 0.000 0.301 453 F C 2.606 178.284 175.800 -0.204 0.000 1.079 453 F CA 1.242 59.117 58.000 -0.208 0.000 1.303 453 F CB -0.485 38.533 39.000 0.029 0.000 1.024 453 F HN 0.152 nan 8.300 nan 0.000 0.494 454 E N -0.576 119.642 120.200 0.030 0.000 2.152 454 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 454 E C 1.706 178.147 176.600 -0.265 0.000 0.983 454 E CA 0.904 57.217 56.400 -0.144 0.000 0.818 454 E CB 0.036 29.593 29.700 -0.238 0.000 0.758 454 E HN 0.462 nan 8.360 nan 0.000 0.467 455 H N -0.667 118.398 119.070 -0.009 0.000 2.654 455 H HA 0.106 4.662 4.556 -0.000 0.000 0.264 455 H C 1.899 177.184 175.328 -0.071 0.000 0.954 455 H CA 0.450 56.499 56.048 0.002 0.000 1.199 455 H CB 0.177 29.984 29.762 0.076 0.000 1.446 455 H HN 0.141 nan 8.280 nan 0.000 0.516 456 R N 1.553 121.958 120.500 -0.158 0.000 2.140 456 R HA -0.200 4.140 4.340 -0.000 0.000 0.250 456 R C 2.130 178.375 176.300 -0.093 0.000 1.150 456 R CA 1.637 57.579 56.100 -0.263 0.000 0.966 456 R CB -0.180 29.766 30.300 -0.590 0.000 0.869 456 R HN 0.217 nan 8.270 nan 0.000 0.445 457 A N 0.658 123.440 122.820 -0.064 0.000 2.131 457 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 457 A C 1.694 179.290 177.584 0.020 0.000 1.158 457 A CA 1.645 53.668 52.037 -0.024 0.000 0.665 457 A CB -0.373 18.614 19.000 -0.021 0.000 0.795 457 A HN 0.608 nan 8.150 nan 0.000 0.460 458 E N -1.018 119.216 120.200 0.056 0.000 2.347 458 E HA 0.281 4.630 4.350 -0.000 0.000 0.196 458 E C 0.997 177.645 176.600 0.080 0.000 1.008 458 E CA 0.236 56.708 56.400 0.119 0.000 0.852 458 E CB -0.192 29.649 29.700 0.235 0.000 0.783 458 E HN 0.760 nan 8.360 nan 0.000 0.505 459 G N 1.986 110.769 108.800 -0.028 0.000 2.690 459 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 459 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 459 G C -2.876 171.865 174.900 -0.265 0.000 1.277 459 G CA -0.807 44.255 45.100 -0.063 0.000 0.799 459 G HN -0.098 nan 8.290 nan 0.000 0.613 460 P HA 0.240 nan 4.420 nan 0.000 0.269 460 P C -0.089 177.121 177.300 -0.151 0.000 1.209 460 P CA 0.420 63.412 63.100 -0.179 0.000 0.776 460 P CB 0.569 32.246 31.700 -0.037 0.000 0.876 461 H N -0.791 118.318 119.070 0.065 0.000 2.960 461 H HA 0.631 5.187 4.556 -0.000 0.000 0.302 461 H C -0.243 175.113 175.328 0.046 0.000 1.515 461 H CA -1.038 55.040 56.048 0.049 0.000 1.431 461 H CB 1.541 31.331 29.762 0.047 0.000 1.890 461 H HN 0.360 nan 8.280 nan 0.000 0.762 462 S N 0.121 115.933 115.700 0.187 0.000 2.541 462 S HA 0.269 4.739 4.470 -0.000 0.000 0.280 462 S C -0.095 174.540 174.600 0.059 0.000 1.112 462 S CA -0.711 57.545 58.200 0.094 0.000 0.925 462 S CB 1.262 64.495 63.200 0.054 0.000 1.067 462 S HN 0.525 nan 8.310 nan 0.000 0.479 463 V N 1.842 121.777 119.914 0.036 0.000 3.271 463 V HA 0.725 4.844 4.120 -0.000 0.000 0.327 463 V C 0.624 176.752 176.094 0.058 0.000 1.389 463 V CA 0.163 62.501 62.300 0.063 0.000 1.156 463 V CB -0.503 31.378 31.823 0.098 0.000 1.103 463 V HN 0.816 nan 8.190 nan 0.000 0.453 464 A N 0.759 123.503 122.820 -0.126 0.000 2.279 464 A HA 0.787 5.107 4.320 -0.000 0.000 0.303 464 A C 0.060 177.524 177.584 -0.199 0.000 1.108 464 A CA -0.743 51.091 52.037 -0.338 0.000 0.830 464 A CB 0.672 19.061 19.000 -1.017 0.000 1.106 464 A HN 0.454 nan 8.150 nan 0.000 0.493 465 L N 0.926 122.037 121.223 -0.186 0.000 2.483 465 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 465 L C 1.346 178.156 176.870 -0.100 0.000 1.220 465 L CA -0.106 54.667 54.840 -0.112 0.000 0.833 465 L CB 0.338 42.344 42.059 -0.089 0.000 1.102 465 L HN 0.957 nan 8.230 nan 0.000 0.490 466 T N -3.261 111.254 114.554 -0.064 0.000 2.862 466 T HA 0.152 4.502 4.350 -0.000 0.000 0.276 466 T C 0.736 175.415 174.700 -0.035 0.000 0.974 466 T CA -0.863 61.209 62.100 -0.045 0.000 0.966 466 T CB 1.263 70.111 68.868 -0.034 0.000 1.072 466 T HN 0.533 nan 8.240 nan 0.000 0.538 467 D N 0.726 121.112 120.400 -0.024 0.000 2.104 467 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 467 D C 2.396 178.685 176.300 -0.017 0.000 0.994 467 D CA 1.617 55.606 54.000 -0.017 0.000 0.830 467 D CB -0.709 40.084 40.800 -0.012 0.000 0.959 467 D HN 0.720 nan 8.370 nan 0.000 0.452 468 A N 1.444 124.254 122.820 -0.018 0.000 1.859 468 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 468 A C 2.194 179.766 177.584 -0.020 0.000 1.198 468 A CA 1.923 53.950 52.037 -0.017 0.000 0.629 468 A CB -0.962 18.028 19.000 -0.017 0.000 0.830 468 A HN 0.233 nan 8.150 nan 0.000 0.446 469 Q N -0.689 119.096 119.800 -0.026 0.000 2.181 469 Q HA -0.120 4.220 4.340 -0.000 0.000 0.205 469 Q C 2.097 178.080 176.000 -0.028 0.000 0.980 469 Q CA 1.312 57.097 55.803 -0.030 0.000 0.862 469 Q CB -0.330 28.384 28.738 -0.040 0.000 0.905 469 Q HN 0.700 nan 8.270 nan 0.000 0.429 470 L N 0.335 121.542 121.223 -0.025 0.000 2.005 470 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 470 L C 2.193 179.054 176.870 -0.014 0.000 1.072 470 L CA 1.404 56.233 54.840 -0.019 0.000 0.744 470 L CB -0.214 41.837 42.059 -0.014 0.000 0.895 470 L HN 0.142 nan 8.230 nan 0.000 0.433 471 K N 0.044 120.437 120.400 -0.013 0.000 2.057 471 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 471 K C 2.026 178.619 176.600 -0.011 0.000 1.050 471 K CA 1.283 57.564 56.287 -0.010 0.000 0.935 471 K CB -0.339 32.156 32.500 -0.009 0.000 0.715 471 K HN 0.241 nan 8.250 nan 0.000 0.439 472 A N 1.153 123.965 122.820 -0.014 0.000 2.234 472 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 472 A C 1.903 179.477 177.584 -0.016 0.000 1.167 472 A CA 1.513 53.541 52.037 -0.015 0.000 0.698 472 A CB -0.349 18.640 19.000 -0.017 0.000 0.779 472 A HN 0.418 nan 8.150 nan 0.000 0.475 473 E N -0.771 119.418 120.200 -0.017 0.000 2.152 473 E HA 0.366 4.716 4.350 -0.000 0.000 0.195 473 E C 1.208 177.800 176.600 -0.013 0.000 0.934 473 E CA 0.410 56.799 56.400 -0.018 0.000 0.869 473 E CB 0.105 29.791 29.700 -0.022 0.000 0.842 473 E HN 0.519 nan 8.360 nan 0.000 0.472 474 A N 0.000 122.814 122.820 -0.011 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 474 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486