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 2pod_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLKITEIETL RPEEFPNLLW VLVHTDEGIT GLGETFYGAC SAEAYIHEWA DATA SEQUENCE ANRLIGEDPL QIDRHAKRLS GYLGFRSAGA EXRGNSALDI ALWDIFGKAT DATA SEQUENCE GQPIYQLLGG KCRDTIRTYN TCAGPHYXXX XXXXXXXXXX XXXXXXARYD DATA SEQUENCE DLNAFLHRAD ELALDLLDSG ITAXKIWPFD PYAEASDGYY ISKSDLKRAL DATA SEQUENCE EPFEKIRRAV GDKXDVXVEF HSLWNLPPAL QIAEALREYE TFWHEDPIRX DATA SEQUENCE DSLSSLKRYA ERSLAPVCAS ETLATRWGFR DLLETNAAGI VXLDISWCGG DATA SEQUENCE LSEARKIASX AEAWHLPVAP HDCTGPVVLT ASTHLSLNAP NALVQESVRA DATA SEQUENCE FYDGWYRDLV TALPTVKDGH ITVPDGPGLG LELXPDIRER LTIAVRNT 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.591 174.600 -0.014 0.000 1.055 0 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 0 S CB 0.000 63.185 63.200 -0.026 0.000 0.593 1 L N 1.571 122.784 121.223 -0.017 0.000 2.417 1 L HA 0.523 4.855 4.340 -0.013 0.000 0.268 1 L C 0.399 177.261 176.870 -0.013 0.000 1.158 1 L CA -0.160 54.673 54.840 -0.011 0.000 0.819 1 L CB 0.496 42.549 42.059 -0.010 0.000 1.112 1 L HN 0.594 nan 8.230 nan 0.000 0.458 2 K N 2.983 123.378 120.400 -0.008 0.000 2.378 2 K HA 0.523 4.835 4.320 -0.013 0.000 0.252 2 K C -0.977 175.618 176.600 -0.008 0.000 0.931 2 K CA -0.748 55.533 56.287 -0.010 0.000 0.794 2 K CB 2.430 34.924 32.500 -0.010 0.000 1.181 2 K HN 0.419 nan 8.250 nan 0.000 0.425 3 I N 2.782 123.340 120.570 -0.020 0.000 2.452 3 I HA -0.056 4.106 4.170 -0.013 0.000 0.287 3 I C 1.613 177.724 176.117 -0.009 0.000 1.079 3 I CA 0.280 61.568 61.300 -0.021 0.000 1.387 3 I CB 0.951 38.913 38.000 -0.063 0.000 1.404 3 I HN 0.827 nan 8.210 nan 0.000 0.522 4 T N 1.445 116.012 114.554 0.023 0.000 3.046 4 T HA 0.225 4.567 4.350 -0.013 0.000 0.242 4 T C 0.590 175.318 174.700 0.046 0.000 1.018 4 T CA 0.061 62.178 62.100 0.028 0.000 1.131 4 T CB 0.386 69.274 68.868 0.033 0.000 0.904 4 T HN 0.546 nan 8.240 nan 0.000 0.459 5 E N -0.202 120.058 120.200 0.100 0.000 2.321 5 E HA 0.573 4.915 4.350 -0.013 0.000 0.278 5 E C -1.937 174.750 176.600 0.144 0.000 0.902 5 E CA -0.711 55.780 56.400 0.152 0.000 0.758 5 E CB 2.523 32.360 29.700 0.227 0.000 1.213 5 E HN 0.219 nan 8.360 nan 0.000 0.426 6 I N 2.678 123.307 120.570 0.098 0.000 2.378 6 I HA 0.209 4.371 4.170 -0.013 0.000 0.291 6 I C -0.333 175.866 176.117 0.138 0.000 0.992 6 I CA -0.143 61.182 61.300 0.041 0.000 1.154 6 I CB 1.621 39.598 38.000 -0.039 0.000 1.315 6 I HN 0.311 nan 8.210 nan 0.000 0.448 7 E N 4.229 124.493 120.200 0.108 0.000 2.171 7 E HA 0.488 4.830 4.350 -0.013 0.000 0.271 7 E C -0.715 175.988 176.600 0.172 0.000 0.916 7 E CA -0.696 55.818 56.400 0.190 0.000 0.774 7 E CB 1.810 31.640 29.700 0.216 0.000 1.128 7 E HN 0.604 nan 8.360 nan 0.000 0.403 8 T N 0.473 115.180 114.554 0.256 0.000 2.859 8 T HA 0.604 4.946 4.350 -0.013 0.000 0.281 8 T C -0.147 174.691 174.700 0.230 0.000 1.005 8 T CA -0.871 61.371 62.100 0.237 0.000 1.025 8 T CB 0.658 69.696 68.868 0.285 0.000 0.977 8 T HN 0.239 nan 8.240 nan 0.000 0.458 9 L N 2.701 124.076 121.223 0.253 0.000 2.349 9 L HA 0.538 4.870 4.340 -0.013 0.000 0.278 9 L C 0.311 177.299 176.870 0.197 0.000 0.996 9 L CA -0.911 54.092 54.840 0.271 0.000 0.825 9 L CB 1.887 44.202 42.059 0.427 0.000 1.243 9 L HN 0.590 nan 8.230 nan 0.000 0.412 10 R N 4.241 124.818 120.500 0.129 0.000 2.287 10 R HA 0.319 4.651 4.340 -0.013 0.000 0.316 10 R C -2.461 173.868 176.300 0.048 0.000 1.050 10 R CA -1.710 54.417 56.100 0.044 0.000 0.983 10 R CB 1.325 31.645 30.300 0.034 0.000 1.140 10 R HN 0.312 nan 8.270 nan 0.000 0.528 11 P HA 0.002 nan 4.420 nan 0.000 0.271 11 P C -0.019 177.274 177.300 -0.011 0.000 1.226 11 P CA 0.115 63.258 63.100 0.073 0.000 0.765 11 P CB 1.084 32.875 31.700 0.152 0.000 0.835 12 E N 2.460 122.646 120.200 -0.022 0.000 2.204 12 E HA -0.164 4.178 4.350 -0.013 0.000 0.194 12 E C 1.432 177.953 176.600 -0.130 0.000 0.989 12 E CA 0.836 57.202 56.400 -0.057 0.000 0.824 12 E CB 0.336 30.014 29.700 -0.036 0.000 0.756 12 E HN 0.517 nan 8.360 nan 0.000 0.477 13 E N -0.309 119.741 120.200 -0.249 0.000 2.385 13 E HA -0.089 4.253 4.350 -0.013 0.000 0.194 13 E C -0.104 176.038 176.600 -0.763 0.000 1.013 13 E CA 0.350 56.464 56.400 -0.477 0.000 0.866 13 E CB 0.048 29.388 29.700 -0.600 0.000 0.832 13 E HN 0.181 nan 8.360 nan 0.000 0.500 14 F N 2.393 122.230 119.950 -0.188 0.000 2.371 14 F HA 0.329 4.848 4.527 -0.013 0.000 0.343 14 F C -1.792 173.849 175.800 -0.264 0.000 1.150 14 F CA -2.886 54.892 58.000 -0.369 0.000 1.220 14 F CB 1.444 40.105 39.000 -0.565 0.000 1.475 14 F HN -0.162 nan 8.300 nan 0.000 0.521 15 P HA -0.062 nan 4.420 nan 0.000 0.234 15 P C 0.408 177.623 177.300 -0.142 0.000 1.167 15 P CA 1.117 64.172 63.100 -0.074 0.000 0.763 15 P CB 0.241 31.921 31.700 -0.033 0.000 0.835 16 N N -1.053 117.487 118.700 -0.267 0.000 2.424 16 N HA 0.014 4.746 4.740 -0.013 0.000 0.178 16 N C 0.330 175.415 175.510 -0.707 0.000 1.060 16 N CA -0.296 52.410 53.050 -0.572 0.000 0.901 16 N CB -0.096 37.767 38.487 -1.040 0.000 0.979 16 N HN 0.044 nan 8.380 nan 0.000 0.451 17 L N 1.580 122.525 121.223 -0.463 0.000 2.349 17 L HA 0.401 4.733 4.340 -0.013 0.000 0.275 17 L C -0.809 175.859 176.870 -0.338 0.000 1.115 17 L CA -0.286 54.344 54.840 -0.350 0.000 0.820 17 L CB 0.846 42.680 42.059 -0.375 0.000 1.135 17 L HN -0.015 nan 8.230 nan 0.000 0.445 18 L N 5.097 126.155 121.223 -0.275 0.000 2.406 18 L HA 0.539 4.871 4.340 -0.013 0.000 0.272 18 L C -1.557 175.228 176.870 -0.142 0.000 0.980 18 L CA -0.253 54.487 54.840 -0.167 0.000 0.831 18 L CB 1.416 43.475 42.059 0.000 0.000 1.253 18 L HN 0.471 nan 8.230 nan 0.000 0.406 19 W N 5.061 126.425 121.300 0.107 0.000 2.449 19 W HA 0.672 5.324 4.660 -0.013 0.000 0.331 19 W C -0.684 175.879 176.519 0.074 0.000 1.119 19 W CA -0.767 56.630 57.345 0.086 0.000 1.240 19 W CB 1.735 31.241 29.460 0.077 0.000 1.251 19 W HN 0.215 nan 8.180 nan 0.000 0.576 20 V N 4.325 124.415 119.914 0.294 0.000 2.628 20 V HA 0.434 4.546 4.120 -0.013 0.000 0.306 20 V C -0.569 175.575 176.094 0.083 0.000 1.045 20 V CA -1.034 61.360 62.300 0.156 0.000 0.905 20 V CB 1.836 33.721 31.823 0.103 0.000 0.997 20 V HN 0.148 nan 8.190 nan 0.000 0.436 21 L N 4.317 125.538 121.223 -0.004 0.000 2.333 21 L HA 0.607 4.939 4.340 -0.013 0.000 0.280 21 L C -0.297 176.392 176.870 -0.302 0.000 1.004 21 L CA -0.227 54.510 54.840 -0.171 0.000 0.820 21 L CB 1.918 43.847 42.059 -0.217 0.000 1.247 21 L HN 0.459 nan 8.230 nan 0.000 0.416 22 V N 3.789 123.535 119.914 -0.281 0.000 2.370 22 V HA 0.444 4.556 4.120 -0.013 0.000 0.283 22 V C -0.212 175.713 176.094 -0.282 0.000 1.023 22 V CA -0.799 61.358 62.300 -0.237 0.000 0.857 22 V CB 1.123 32.886 31.823 -0.101 0.000 0.985 22 V HN 0.575 nan 8.190 nan 0.000 0.443 23 H N 2.615 121.688 119.070 0.004 0.000 2.472 23 H HA 0.657 5.205 4.556 -0.013 0.000 0.338 23 H C 0.193 175.516 175.328 -0.007 0.000 1.133 23 H CA -0.331 55.718 56.048 0.001 0.000 1.216 23 H CB 2.230 31.995 29.762 0.005 0.000 1.497 23 H HN 0.752 nan 8.280 nan 0.000 0.500 24 T N -1.906 112.722 114.554 0.122 0.000 2.926 24 T HA 0.099 4.441 4.350 -0.013 0.000 0.289 24 T C 0.896 175.623 174.700 0.044 0.000 1.054 24 T CA -0.851 61.284 62.100 0.059 0.000 1.015 24 T CB 1.422 70.308 68.868 0.031 0.000 1.167 24 T HN 0.463 nan 8.240 nan 0.000 0.526 25 D N 0.053 120.466 120.400 0.022 0.000 2.218 25 D HA -0.148 4.484 4.640 -0.013 0.000 0.204 25 D C 1.163 177.468 176.300 0.009 0.000 0.976 25 D CA 1.121 55.127 54.000 0.010 0.000 0.853 25 D CB -0.343 40.459 40.800 0.003 0.000 0.939 25 D HN 0.803 nan 8.370 nan 0.000 0.481 26 E N -0.671 119.536 120.200 0.013 0.000 2.465 26 E HA 0.271 4.613 4.350 -0.013 0.000 0.191 26 E C 0.992 177.602 176.600 0.016 0.000 1.053 26 E CA 0.250 56.657 56.400 0.011 0.000 0.869 26 E CB 0.154 29.860 29.700 0.010 0.000 0.977 26 E HN 0.461 nan 8.360 nan 0.000 0.483 27 G N 1.555 110.370 108.800 0.025 0.000 2.143 27 G HA2 -0.228 3.724 3.960 -0.013 0.000 0.249 27 G HA3 -0.228 3.724 3.960 -0.013 0.000 0.249 27 G C 0.188 175.116 174.900 0.046 0.000 0.981 27 G CA -0.308 44.811 45.100 0.032 0.000 0.665 27 G HN 0.189 nan 8.290 nan 0.000 0.528 28 I N 2.551 123.148 120.570 0.046 0.000 2.352 28 I HA 0.336 4.498 4.170 -0.013 0.000 0.290 28 I C 0.915 177.067 176.117 0.057 0.000 1.036 28 I CA 0.451 61.776 61.300 0.043 0.000 1.336 28 I CB 0.470 38.488 38.000 0.031 0.000 1.407 28 I HN 0.303 nan 8.210 nan 0.000 0.497 29 T N 2.297 116.884 114.554 0.055 0.000 2.786 29 T HA 0.678 5.020 4.350 -0.013 0.000 0.283 29 T C 0.112 174.807 174.700 -0.008 0.000 0.992 29 T CA -0.775 61.349 62.100 0.040 0.000 0.954 29 T CB 1.709 70.637 68.868 0.101 0.000 0.934 29 T HN 0.720 nan 8.240 nan 0.000 0.440 30 G N 2.710 111.486 108.800 -0.040 0.000 2.367 30 G HA2 0.589 4.541 3.960 -0.013 0.000 0.314 30 G HA3 0.589 4.541 3.960 -0.013 0.000 0.314 30 G C -0.909 173.972 174.900 -0.032 0.000 1.130 30 G CA -0.889 44.199 45.100 -0.019 0.000 0.864 30 G HN 0.876 nan 8.290 nan 0.000 0.486 31 L N 2.430 123.649 121.223 -0.006 0.000 2.280 31 L HA 0.646 4.978 4.340 -0.013 0.000 0.287 31 L C 0.645 177.551 176.870 0.061 0.000 1.023 31 L CA -0.523 54.318 54.840 0.001 0.000 0.819 31 L CB 1.188 43.222 42.059 -0.042 0.000 1.212 31 L HN 0.656 nan 8.230 nan 0.000 0.420 32 G N 3.153 112.017 108.800 0.106 0.000 2.644 32 G HA2 0.582 4.534 3.960 -0.013 0.000 0.307 32 G HA3 0.582 4.534 3.960 -0.013 0.000 0.307 32 G C -1.614 173.433 174.900 0.245 0.000 1.250 32 G CA -0.307 44.886 45.100 0.154 0.000 0.996 32 G HN 0.574 nan 8.290 nan 0.000 0.489 33 E N -1.170 119.164 120.200 0.224 0.000 2.354 33 E HA 0.491 4.833 4.350 -0.013 0.000 0.283 33 E C -1.381 175.325 176.600 0.177 0.000 0.938 33 E CA -0.551 55.996 56.400 0.245 0.000 0.777 33 E CB 2.433 32.308 29.700 0.292 0.000 1.222 33 E HN 0.531 nan 8.360 nan 0.000 0.423 34 T N 2.116 116.775 114.554 0.175 0.000 2.742 34 T HA 0.741 5.083 4.350 -0.013 0.000 0.282 34 T C -1.804 173.079 174.700 0.304 0.000 1.025 34 T CA -0.404 61.840 62.100 0.239 0.000 1.020 34 T CB 0.909 69.950 68.868 0.290 0.000 1.317 34 T HN 0.341 nan 8.240 nan 0.000 0.538 35 F N 0.809 120.910 119.950 0.253 0.000 2.619 35 F HA 0.643 5.163 4.527 -0.013 0.000 0.308 35 F C -1.619 174.353 175.800 0.288 0.000 1.097 35 F CA -0.435 57.668 58.000 0.171 0.000 0.953 35 F CB 1.171 40.209 39.000 0.063 0.000 1.287 35 F HN 0.752 nan 8.300 nan 0.000 0.446 36 Y N 1.445 121.661 120.300 -0.139 0.000 2.526 36 Y HA 0.101 4.642 4.550 -0.014 0.000 0.022 36 Y C 0.830 176.685 175.900 -0.074 0.000 1.721 36 Y CA 0.481 58.518 58.100 -0.106 0.000 1.405 36 Y CB -1.220 37.241 38.460 0.001 0.000 2.052 36 Y HN 1.331 nan 8.280 nan 0.000 0.257 37 G N 0.279 109.133 108.800 0.089 0.000 2.338 37 G HA2 0.048 4.000 3.960 -0.013 0.000 0.296 37 G HA3 0.048 4.000 3.960 -0.013 0.000 0.296 37 G C 1.049 175.968 174.900 0.032 0.000 1.040 37 G CA 1.004 46.123 45.100 0.031 0.000 1.004 37 G HN 1.974 nan 8.290 nan 0.000 0.509 38 A N -0.972 121.849 122.820 0.001 0.000 1.892 38 A HA -0.137 4.175 4.320 -0.013 0.000 0.218 38 A C 2.757 180.367 177.584 0.042 0.000 1.188 38 A CA 2.519 54.557 52.037 0.003 0.000 0.631 38 A CB -0.898 18.071 19.000 -0.052 0.000 0.822 38 A HN 1.177 nan 8.150 nan 0.000 0.447 39 C N -0.090 119.230 119.300 0.034 0.000 2.425 39 C HA -0.067 4.385 4.460 -0.013 0.000 0.277 39 C C 3.397 178.433 174.990 0.077 0.000 1.280 39 C CA 1.348 60.398 59.018 0.053 0.000 1.744 39 C CB -1.312 26.448 27.740 0.034 0.000 1.989 39 C HN 0.806 nan 8.230 nan 0.000 0.491 40 S N 1.726 117.464 115.700 0.064 0.000 2.387 40 S HA 0.021 4.483 4.470 -0.013 0.000 0.226 40 S C 1.995 176.670 174.600 0.125 0.000 1.026 40 S CA 1.140 59.386 58.200 0.077 0.000 0.972 40 S CB -0.548 62.673 63.200 0.035 0.000 0.814 40 S HN 0.593 nan 8.310 nan 0.000 0.477 41 A N 2.211 125.104 122.820 0.122 0.000 1.858 41 A HA -0.125 4.187 4.320 -0.013 0.000 0.216 41 A C 2.218 179.934 177.584 0.220 0.000 1.190 41 A CA 1.675 53.820 52.037 0.180 0.000 0.617 41 A CB -1.028 18.065 19.000 0.154 0.000 0.827 41 A HN 0.686 nan 8.150 nan 0.000 0.443 42 E N -0.083 120.218 120.200 0.169 0.000 2.085 42 E HA -0.182 4.160 4.350 -0.013 0.000 0.194 42 E C 2.084 178.829 176.600 0.243 0.000 0.994 42 E CA 1.263 57.776 56.400 0.189 0.000 0.801 42 E CB -0.284 29.531 29.700 0.191 0.000 0.743 42 E HN 0.527 nan 8.360 nan 0.000 0.453 43 A N 0.261 123.208 122.820 0.211 0.000 1.933 43 A HA -0.193 4.119 4.320 -0.013 0.000 0.218 43 A C 2.042 179.752 177.584 0.209 0.000 1.175 43 A CA 1.465 53.624 52.037 0.202 0.000 0.628 43 A CB -0.910 18.179 19.000 0.148 0.000 0.814 43 A HN 0.644 nan 8.150 nan 0.000 0.444 44 Y N 1.629 121.996 120.300 0.111 0.000 2.163 44 Y HA -0.206 4.337 4.550 -0.013 0.000 0.288 44 Y C 2.068 178.052 175.900 0.140 0.000 1.136 44 Y CA 1.956 60.128 58.100 0.120 0.000 1.147 44 Y CB -0.248 38.266 38.460 0.090 0.000 0.987 44 Y HN 0.387 nan 8.280 nan 0.000 0.509 45 I N -1.210 119.247 120.570 -0.189 0.000 2.286 45 I HA -0.267 3.895 4.170 -0.013 0.000 0.248 45 I C 1.692 177.584 176.117 -0.374 0.000 1.115 45 I CA 2.090 63.160 61.300 -0.383 0.000 1.392 45 I CB -1.213 36.652 38.000 -0.224 0.000 1.065 45 I HN 0.261 nan 8.210 nan 0.000 0.418 46 H N 0.603 119.643 119.070 -0.050 0.000 2.436 46 H HA -0.018 4.530 4.556 -0.013 0.000 0.294 46 H C 2.285 177.598 175.328 -0.024 0.000 1.048 46 H CA 1.309 57.340 56.048 -0.029 0.000 1.353 46 H CB 0.101 29.868 29.762 0.008 0.000 1.414 46 H HN 0.471 nan 8.280 nan 0.000 0.536 47 E N -0.799 119.459 120.200 0.097 0.000 2.107 47 E HA -0.156 4.186 4.350 -0.013 0.000 0.191 47 E C 1.260 177.941 176.600 0.134 0.000 0.982 47 E CA 0.994 57.464 56.400 0.116 0.000 0.809 47 E CB 0.190 29.980 29.700 0.150 0.000 0.756 47 E HN 0.540 nan 8.360 nan 0.000 0.459 48 W N -1.153 120.028 121.300 -0.197 0.000 4.011 48 W HA 0.374 5.027 4.660 -0.013 0.000 0.213 48 W C 1.869 178.236 176.519 -0.255 0.000 1.060 48 W CA 0.818 58.049 57.345 -0.190 0.000 1.775 48 W CB -0.114 29.271 29.460 -0.125 0.000 0.793 48 W HN 0.040 nan 8.180 nan 0.000 0.863 49 A N 0.659 123.299 122.820 -0.300 0.000 1.898 49 A HA 0.122 4.434 4.320 -0.013 0.000 0.214 49 A C 1.973 179.373 177.584 -0.306 0.000 1.183 49 A CA 2.111 53.962 52.037 -0.311 0.000 0.622 49 A CB -1.381 17.439 19.000 -0.301 0.000 0.824 49 A HN 0.317 nan 8.150 nan 0.000 0.444 50 A N 0.627 123.291 122.820 -0.261 0.000 1.948 50 A HA -0.225 4.087 4.320 -0.013 0.000 0.220 50 A C 1.812 179.280 177.584 -0.193 0.000 1.177 50 A CA 1.830 53.749 52.037 -0.197 0.000 0.636 50 A CB -0.657 18.257 19.000 -0.142 0.000 0.815 50 A HN 0.552 nan 8.150 nan 0.000 0.449 51 N N -0.645 117.922 118.700 -0.221 0.000 2.512 51 N HA -0.046 4.686 4.740 -0.013 0.000 0.183 51 N C 1.526 176.876 175.510 -0.268 0.000 1.073 51 N CA 0.653 53.577 53.050 -0.210 0.000 0.911 51 N CB -0.209 38.166 38.487 -0.187 0.000 0.964 51 N HN 0.536 nan 8.380 nan 0.000 0.447 52 R N 0.519 120.797 120.500 -0.370 0.000 2.280 52 R HA 0.172 4.505 4.340 -0.013 0.000 0.195 52 R C 1.751 177.878 176.300 -0.289 0.000 0.935 52 R CA 0.285 56.165 56.100 -0.368 0.000 1.033 52 R CB 0.271 30.234 30.300 -0.562 0.000 0.964 52 R HN 0.253 nan 8.270 nan 0.000 0.489 53 L N -2.812 118.237 121.223 -0.290 0.000 2.878 53 L HA 0.447 4.779 4.340 -0.013 0.000 0.253 53 L C 0.306 177.039 176.870 -0.228 0.000 1.135 53 L CA -0.218 54.418 54.840 -0.340 0.000 0.943 53 L CB 0.373 42.131 42.059 -0.500 0.000 1.307 53 L HN -0.139 nan 8.230 nan 0.000 0.545 54 I N 2.826 123.299 120.570 -0.162 0.000 2.598 54 I HA 0.244 4.406 4.170 -0.013 0.000 0.284 54 I C 1.401 177.467 176.117 -0.085 0.000 1.140 54 I CA 1.492 62.731 61.300 -0.101 0.000 1.420 54 I CB 0.758 38.714 38.000 -0.073 0.000 1.387 54 I HN 0.539 nan 8.210 nan 0.000 0.553 55 G N 4.441 113.205 108.800 -0.060 0.000 2.284 55 G HA2 -0.168 3.784 3.960 -0.013 0.000 0.216 55 G HA3 -0.168 3.784 3.960 -0.013 0.000 0.216 55 G C 0.172 175.052 174.900 -0.034 0.000 1.009 55 G CA -0.583 44.491 45.100 -0.044 0.000 0.625 55 G HN 0.529 nan 8.290 nan 0.000 0.501 56 E N 1.300 121.473 120.200 -0.046 0.000 2.283 56 E HA 0.359 4.701 4.350 -0.013 0.000 0.267 56 E C -0.747 175.870 176.600 0.028 0.000 1.045 56 E CA -0.744 55.660 56.400 0.006 0.000 0.884 56 E CB 1.023 30.738 29.700 0.024 0.000 1.106 56 E HN 0.209 nan 8.360 nan 0.000 0.408 57 D N 2.753 123.187 120.400 0.058 0.000 2.412 57 D HA -0.013 4.619 4.640 -0.013 0.000 0.257 57 D C -1.400 174.964 176.300 0.106 0.000 1.217 57 D CA -1.519 52.499 54.000 0.031 0.000 0.897 57 D CB 0.810 41.593 40.800 -0.029 0.000 1.132 57 D HN 0.081 nan 8.370 nan 0.000 0.493 58 P HA -0.103 nan 4.420 nan 0.000 0.226 58 P C 1.401 178.639 177.300 -0.104 0.000 1.153 58 P CA 0.254 63.357 63.100 0.004 0.000 0.777 58 P CB 0.510 32.187 31.700 -0.038 0.000 0.794 59 L N -0.416 120.684 121.223 -0.204 0.000 2.418 59 L HA 0.043 4.375 4.340 -0.013 0.000 0.218 59 L C 1.661 178.235 176.870 -0.494 0.000 1.125 59 L CA 1.183 55.753 54.840 -0.451 0.000 0.835 59 L CB -1.027 40.778 42.059 -0.424 0.000 0.953 59 L HN -0.062 nan 8.230 nan 0.000 0.454 60 Q N -0.069 119.512 119.800 -0.366 0.000 3.159 60 Q HA 0.061 4.393 4.340 -0.013 0.000 0.280 60 Q C 1.308 176.990 176.000 -0.530 0.000 1.403 60 Q CA 0.023 55.547 55.803 -0.466 0.000 0.957 60 Q CB 0.046 28.472 28.738 -0.519 0.000 1.729 60 Q HN 0.512 nan 8.270 nan 0.000 0.551 61 I N 0.010 120.330 120.570 -0.416 0.000 2.333 61 I HA -0.224 3.938 4.170 -0.013 0.000 0.246 61 I C 1.432 177.464 176.117 -0.142 0.000 1.106 61 I CA 0.786 61.896 61.300 -0.317 0.000 1.411 61 I CB 0.113 37.746 38.000 -0.612 0.000 1.082 61 I HN 0.375 nan 8.210 nan 0.000 0.420 62 D N 0.635 120.960 120.400 -0.125 0.000 2.117 62 D HA -0.194 4.438 4.640 -0.013 0.000 0.197 62 D C 2.180 178.463 176.300 -0.029 0.000 0.987 62 D CA 1.076 55.067 54.000 -0.015 0.000 0.829 62 D CB -0.239 40.563 40.800 0.003 0.000 0.961 62 D HN 0.194 nan 8.370 nan 0.000 0.460 63 R N -0.138 120.278 120.500 -0.141 0.000 2.083 63 R HA -0.166 4.166 4.340 -0.013 0.000 0.237 63 R C 2.249 178.508 176.300 -0.070 0.000 1.137 63 R CA 1.299 57.310 56.100 -0.148 0.000 0.951 63 R CB -0.065 30.073 30.300 -0.269 0.000 0.851 63 R HN 0.290 nan 8.270 nan 0.000 0.434 64 H N -0.175 118.889 119.070 -0.010 0.000 2.357 64 H HA -0.014 4.534 4.556 -0.013 0.000 0.301 64 H C 1.995 177.366 175.328 0.072 0.000 1.082 64 H CA 1.392 57.446 56.048 0.009 0.000 1.342 64 H CB -0.614 29.133 29.762 -0.024 0.000 1.389 64 H HN 0.379 nan 8.280 nan 0.000 0.511 65 A N 1.295 124.236 122.820 0.201 0.000 1.917 65 A HA -0.256 4.056 4.320 -0.013 0.000 0.219 65 A C 2.404 180.108 177.584 0.201 0.000 1.182 65 A CA 2.378 54.540 52.037 0.209 0.000 0.633 65 A CB -0.351 18.774 19.000 0.209 0.000 0.819 65 A HN 0.311 nan 8.150 nan 0.000 0.448 66 K N -0.100 120.398 120.400 0.164 0.000 2.057 66 K HA -0.047 4.265 4.320 -0.013 0.000 0.206 66 K C 2.093 178.784 176.600 0.151 0.000 1.050 66 K CA 1.596 57.969 56.287 0.143 0.000 0.935 66 K CB -0.316 32.251 32.500 0.111 0.000 0.715 66 K HN 0.448 nan 8.250 nan 0.000 0.439 67 R N -0.189 120.408 120.500 0.161 0.000 2.115 67 R HA 0.029 4.361 4.340 -0.013 0.000 0.230 67 R C 1.929 178.393 176.300 0.273 0.000 1.111 67 R CA 1.339 57.544 56.100 0.175 0.000 0.976 67 R CB -0.225 30.162 30.300 0.145 0.000 0.870 67 R HN 0.204 nan 8.270 nan 0.000 0.445 68 L N 0.215 121.621 121.223 0.306 0.000 2.599 68 L HA 0.066 4.398 4.340 -0.013 0.000 0.230 68 L C 0.625 177.791 176.870 0.493 0.000 1.141 68 L CA -0.036 55.101 54.840 0.495 0.000 0.877 68 L CB 0.206 42.500 42.059 0.391 0.000 1.009 68 L HN -0.049 nan 8.230 nan 0.000 0.447 69 S N 0.775 116.662 115.700 0.311 0.000 2.498 69 S HA 0.336 4.798 4.470 -0.013 0.000 0.314 69 S C 0.680 175.369 174.600 0.148 0.000 1.141 69 S CA -0.482 57.827 58.200 0.181 0.000 1.087 69 S CB 0.134 63.377 63.200 0.073 0.000 1.178 69 S HN 0.348 nan 8.310 nan 0.000 0.533 70 G N 2.170 111.004 108.800 0.057 0.000 2.563 70 G HA2 0.237 4.189 3.960 -0.013 0.000 0.283 70 G HA3 0.237 4.189 3.960 -0.013 0.000 0.283 70 G C 0.338 175.268 174.900 0.050 0.000 1.309 70 G CA -0.409 44.624 45.100 -0.112 0.000 1.022 70 G HN 0.728 nan 8.290 nan 0.000 0.501 71 Y N -0.700 119.551 120.300 -0.082 0.000 2.352 71 Y HA 0.188 4.731 4.550 -0.013 0.000 0.292 71 Y C 0.806 176.806 175.900 0.166 0.000 1.136 71 Y CA 1.060 59.177 58.100 0.029 0.000 1.227 71 Y CB 0.023 38.478 38.460 -0.007 0.000 0.991 71 Y HN 0.103 nan 8.280 nan 0.000 0.545 72 L N -1.801 119.439 121.223 0.028 0.000 2.409 72 L HA 0.500 4.832 4.340 -0.013 0.000 0.262 72 L C 0.852 177.594 176.870 -0.213 0.000 0.992 72 L CA -0.457 54.297 54.840 -0.143 0.000 0.817 72 L CB 2.219 44.211 42.059 -0.111 0.000 1.350 72 L HN 0.117 nan 8.230 nan 0.000 0.411 73 G N 1.109 109.666 108.800 -0.404 0.000 2.159 73 G HA2 -0.340 3.612 3.960 -0.013 0.000 0.256 73 G HA3 -0.340 3.612 3.960 -0.013 0.000 0.256 73 G C 0.419 175.141 174.900 -0.297 0.000 0.977 73 G CA 0.748 45.639 45.100 -0.347 0.000 0.652 73 G HN 0.740 nan 8.290 nan 0.000 0.531 74 F N -0.410 119.440 119.950 -0.168 0.000 2.502 74 F HA 0.355 4.874 4.527 -0.013 0.000 0.298 74 F C 1.982 177.722 175.800 -0.099 0.000 1.111 74 F CA 0.929 58.844 58.000 -0.140 0.000 1.445 74 F CB -0.098 38.785 39.000 -0.196 0.000 1.081 74 F HN 0.174 nan 8.300 nan 0.000 0.558 75 R N 0.098 120.381 120.500 -0.361 0.000 2.359 75 R HA 0.294 4.626 4.340 -0.013 0.000 0.231 75 R C -0.073 176.154 176.300 -0.121 0.000 0.913 75 R CA 0.074 56.074 56.100 -0.167 0.000 1.075 75 R CB 0.219 30.340 30.300 -0.298 0.000 1.087 75 R HN 0.309 nan 8.270 nan 0.000 0.515 76 S N -2.160 113.465 115.700 -0.124 0.000 2.688 76 S HA 0.526 4.988 4.470 -0.013 0.000 0.275 76 S C -1.256 173.311 174.600 -0.055 0.000 1.175 76 S CA -0.466 57.677 58.200 -0.096 0.000 0.818 76 S CB 1.674 64.788 63.200 -0.143 0.000 1.157 76 S HN 0.119 nan 8.310 nan 0.000 0.482 77 A N 1.288 124.075 122.820 -0.054 0.000 3.105 77 A HA 0.578 4.890 4.320 -0.013 0.000 0.272 77 A C 0.814 178.338 177.584 -0.100 0.000 1.466 77 A CA 0.131 52.151 52.037 -0.028 0.000 1.101 77 A CB -1.316 17.673 19.000 -0.018 0.000 1.065 77 A HN 0.846 nan 8.150 nan 0.000 0.643 78 G N -1.263 107.469 108.800 -0.114 0.000 2.570 78 G HA2 0.404 4.356 3.960 -0.013 0.000 0.276 78 G HA3 0.404 4.356 3.960 -0.013 0.000 0.276 78 G C 1.227 176.053 174.900 -0.124 0.000 1.346 78 G CA 0.090 45.107 45.100 -0.137 0.000 1.034 78 G HN 0.667 nan 8.290 nan 0.000 0.512 79 A N -0.679 122.061 122.820 -0.133 0.000 1.902 79 A HA 0.070 4.382 4.320 -0.013 0.000 0.217 79 A C 1.458 178.898 177.584 -0.240 0.000 1.181 79 A CA 1.649 53.625 52.037 -0.102 0.000 0.623 79 A CB -0.622 18.347 19.000 -0.052 0.000 0.818 79 A HN 0.670 nan 8.150 nan 0.000 0.443 83 G N 1.749 110.670 108.800 0.202 0.000 2.402 83 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.216 83 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.216 83 G C 1.139 176.239 174.900 0.333 0.000 1.162 83 G CA 0.947 46.237 45.100 0.317 0.000 0.777 83 G HN 0.082 nan 8.290 nan 0.000 0.539 84 N N 0.988 119.891 118.700 0.339 0.000 2.166 84 N HA -0.074 4.658 4.740 -0.013 0.000 0.186 84 N C 2.496 178.154 175.510 0.247 0.000 1.019 84 N CA 1.332 54.569 53.050 0.311 0.000 0.856 84 N CB -0.243 38.416 38.487 0.287 0.000 0.993 84 N HN 0.253 nan 8.380 nan 0.000 0.426 85 S N 0.529 116.368 115.700 0.232 0.000 2.387 85 S HA 0.056 4.518 4.470 -0.013 0.000 0.226 85 S C 2.092 176.815 174.600 0.205 0.000 1.026 85 S CA 0.839 59.171 58.200 0.220 0.000 0.972 85 S CB -0.187 63.150 63.200 0.227 0.000 0.814 85 S HN 0.472 nan 8.310 nan 0.000 0.477 86 A N 1.791 124.732 122.820 0.202 0.000 1.873 86 A HA 0.019 4.331 4.320 -0.013 0.000 0.215 86 A C 2.019 179.701 177.584 0.163 0.000 1.186 86 A CA 1.026 53.172 52.037 0.181 0.000 0.616 86 A CB -0.748 18.362 19.000 0.183 0.000 0.823 86 A HN 0.346 nan 8.150 nan 0.000 0.442 87 L N 0.395 121.711 121.223 0.155 0.000 2.043 87 L HA -0.234 4.098 4.340 -0.013 0.000 0.212 87 L C 2.042 178.994 176.870 0.137 0.000 1.075 87 L CA 2.485 57.396 54.840 0.118 0.000 0.752 87 L CB -1.116 41.011 42.059 0.114 0.000 0.891 87 L HN 0.629 nan 8.230 nan 0.000 0.432 88 D N -1.107 119.408 120.400 0.193 0.000 2.117 88 D HA -0.162 4.470 4.640 -0.013 0.000 0.198 88 D C 2.292 178.808 176.300 0.360 0.000 0.982 88 D CA 0.873 55.029 54.000 0.260 0.000 0.828 88 D CB 0.051 41.031 40.800 0.301 0.000 0.967 88 D HN 0.345 nan 8.370 nan 0.000 0.464 89 I N 0.638 121.377 120.570 0.281 0.000 2.208 89 I HA -0.273 3.889 4.170 -0.013 0.000 0.245 89 I C 2.483 178.737 176.117 0.227 0.000 1.097 89 I CA 1.136 62.588 61.300 0.253 0.000 1.363 89 I CB -0.360 37.731 38.000 0.152 0.000 1.051 89 I HN 0.080 nan 8.210 nan 0.000 0.413 90 A N 0.828 123.743 122.820 0.158 0.000 1.933 90 A HA -0.149 4.163 4.320 -0.013 0.000 0.218 90 A C 2.323 179.960 177.584 0.088 0.000 1.175 90 A CA 1.345 53.440 52.037 0.098 0.000 0.628 90 A CB -0.792 18.241 19.000 0.055 0.000 0.814 90 A HN 0.388 nan 8.150 nan 0.000 0.444 91 L N -2.586 118.687 121.223 0.083 0.000 2.083 91 L HA -0.220 4.112 4.340 -0.013 0.000 0.209 91 L C 2.583 179.440 176.870 -0.022 0.000 1.083 91 L CA 1.337 56.172 54.840 -0.008 0.000 0.752 91 L CB -0.536 41.482 42.059 -0.067 0.000 0.899 91 L HN 0.625 nan 8.230 nan 0.000 0.433 92 W N 0.460 121.820 121.300 0.100 0.000 2.363 92 W HA -0.213 4.440 4.660 -0.013 0.000 0.296 92 W C 2.362 178.912 176.519 0.053 0.000 1.212 92 W CA 1.138 58.554 57.345 0.118 0.000 1.260 92 W CB -0.288 29.208 29.460 0.060 0.000 1.131 92 W HN 0.209 nan 8.180 nan 0.000 0.530 93 D N 0.300 120.826 120.400 0.211 0.000 2.097 93 D HA -0.179 4.453 4.640 -0.013 0.000 0.195 93 D C 1.927 178.272 176.300 0.075 0.000 0.989 93 D CA 1.518 55.573 54.000 0.092 0.000 0.827 93 D CB -0.329 40.504 40.800 0.056 0.000 0.966 93 D HN 0.072 nan 8.370 nan 0.000 0.456 94 I N -0.056 120.560 120.570 0.077 0.000 2.127 94 I HA -0.268 3.894 4.170 -0.013 0.000 0.241 94 I C 2.206 178.399 176.117 0.127 0.000 1.075 94 I CA 0.744 62.083 61.300 0.066 0.000 1.334 94 I CB -0.387 37.630 38.000 0.028 0.000 1.040 94 I HN 0.057 nan 8.210 nan 0.000 0.405 95 F N 2.084 121.994 119.950 -0.067 0.000 2.087 95 F HA -0.224 4.295 4.527 -0.013 0.000 0.299 95 F C 2.324 178.106 175.800 -0.031 0.000 1.100 95 F CA 1.690 59.640 58.000 -0.084 0.000 1.226 95 F CB -1.329 37.566 39.000 -0.176 0.000 0.983 95 F HN 0.051 nan 8.300 nan 0.000 0.479 96 G N -0.273 108.551 108.800 0.040 0.000 2.418 96 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.217 96 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.217 96 G C 1.883 176.755 174.900 -0.047 0.000 1.158 96 G CA 0.828 45.870 45.100 -0.097 0.000 0.771 96 G HN 0.368 nan 8.290 nan 0.000 0.545 97 K N 0.313 120.716 120.400 0.005 0.000 2.103 97 K HA 0.177 4.489 4.320 -0.013 0.000 0.204 97 K C 2.869 179.480 176.600 0.019 0.000 1.052 97 K CA 0.755 57.045 56.287 0.006 0.000 0.945 97 K CB -0.116 32.392 32.500 0.015 0.000 0.722 97 K HN 0.254 nan 8.250 nan 0.000 0.443 98 A N 0.884 123.734 122.820 0.051 0.000 2.067 98 A HA -0.119 4.193 4.320 -0.013 0.000 0.219 98 A C 1.993 179.610 177.584 0.054 0.000 1.158 98 A CA 1.981 54.055 52.037 0.062 0.000 0.661 98 A CB -0.499 18.559 19.000 0.097 0.000 0.801 98 A HN 0.448 nan 8.150 nan 0.000 0.452 99 T N -5.977 108.597 114.554 0.033 0.000 2.985 99 T HA 0.430 4.772 4.350 -0.013 0.000 0.254 99 T C 1.318 175.995 174.700 -0.039 0.000 1.021 99 T CA 1.050 63.150 62.100 -0.000 0.000 0.957 99 T CB 0.339 69.180 68.868 -0.045 0.000 1.047 99 T HN 1.638 nan 8.240 nan 0.000 0.511 100 G N 1.475 110.249 108.800 -0.044 0.000 2.143 100 G HA2 -0.192 3.760 3.960 -0.013 0.000 0.248 100 G HA3 -0.192 3.760 3.960 -0.013 0.000 0.248 100 G C -0.256 174.592 174.900 -0.086 0.000 0.991 100 G CA -0.123 44.947 45.100 -0.051 0.000 0.689 100 G HN 0.622 nan 8.290 nan 0.000 0.522 101 Q N 0.198 119.917 119.800 -0.134 0.000 2.309 101 Q HA 0.510 4.842 4.340 -0.013 0.000 0.264 101 Q C -2.341 173.515 176.000 -0.240 0.000 1.008 101 Q CA -2.047 53.638 55.803 -0.198 0.000 0.853 101 Q CB 2.583 31.175 28.738 -0.245 0.000 1.314 101 Q HN 0.297 nan 8.270 nan 0.000 0.448 102 P HA 0.179 nan 4.420 nan 0.000 0.274 102 P C 0.693 177.732 177.300 -0.435 0.000 1.237 102 P CA -0.197 62.694 63.100 -0.348 0.000 0.793 102 P CB 1.080 32.489 31.700 -0.485 0.000 0.977 103 I N 1.055 121.341 120.570 -0.473 0.000 2.208 103 I HA -0.310 3.852 4.170 -0.013 0.000 0.245 103 I C 2.459 178.469 176.117 -0.179 0.000 1.097 103 I CA 1.714 62.781 61.300 -0.388 0.000 1.363 103 I CB -0.820 36.822 38.000 -0.596 0.000 1.051 103 I HN 0.423 nan 8.210 nan 0.000 0.413 104 Y N 0.945 121.323 120.300 0.130 0.000 2.241 104 Y HA -0.320 4.222 4.550 -0.013 0.000 0.286 104 Y C 2.356 178.259 175.900 0.005 0.000 1.166 104 Y CA 1.567 59.718 58.100 0.085 0.000 1.203 104 Y CB -1.144 37.387 38.460 0.119 0.000 0.977 104 Y HN 0.149 nan 8.280 nan 0.000 0.529 105 Q N 1.061 120.710 119.800 -0.252 0.000 2.096 105 Q HA 0.001 4.333 4.340 -0.013 0.000 0.197 105 Q C 1.968 177.914 176.000 -0.089 0.000 0.964 105 Q CA 1.785 57.505 55.803 -0.138 0.000 0.838 105 Q CB -0.489 28.081 28.738 -0.279 0.000 0.906 105 Q HN 0.701 nan 8.270 nan 0.000 0.444 106 L N -0.125 121.011 121.223 -0.146 0.000 2.275 106 L HA -0.079 4.253 4.340 -0.013 0.000 0.215 106 L C 1.865 178.791 176.870 0.093 0.000 1.119 106 L CA 0.553 55.345 54.840 -0.080 0.000 0.790 106 L CB -0.316 41.645 42.059 -0.164 0.000 0.919 106 L HN 0.224 nan 8.230 nan 0.000 0.443 107 L N -0.651 120.567 121.223 -0.009 0.000 2.492 107 L HA 0.124 4.456 4.340 -0.013 0.000 0.223 107 L C 1.390 178.277 176.870 0.029 0.000 1.132 107 L CA 0.778 55.597 54.840 -0.035 0.000 0.850 107 L CB -0.254 41.728 42.059 -0.128 0.000 0.966 107 L HN 0.439 nan 8.230 nan 0.000 0.454 108 G N -1.063 107.765 108.800 0.048 0.000 2.276 108 G HA2 0.189 4.141 3.960 -0.013 0.000 0.177 108 G HA3 0.189 4.141 3.960 -0.013 0.000 0.177 108 G C 0.405 175.344 174.900 0.064 0.000 1.017 108 G CA -0.404 44.728 45.100 0.053 0.000 0.750 108 G HN 0.669 nan 8.290 nan 0.000 0.506 109 G N -0.075 108.786 108.800 0.102 0.000 2.663 109 G HA2 0.390 4.342 3.960 -0.013 0.000 0.686 109 G HA3 0.390 4.342 3.960 -0.013 0.000 0.686 109 G C -0.065 174.934 174.900 0.165 0.000 1.246 109 G CA 0.116 45.311 45.100 0.158 0.000 0.795 109 G HN 1.482 nan 8.290 nan 0.000 0.627 110 K N -0.898 119.599 120.400 0.163 0.000 2.295 110 K HA 0.553 4.865 4.320 -0.013 0.000 0.270 110 K C 0.754 177.331 176.600 -0.038 0.000 1.011 110 K CA -0.081 56.172 56.287 -0.057 0.000 0.953 110 K CB 1.201 33.491 32.500 -0.349 0.000 0.956 110 K HN 0.516 nan 8.250 nan 0.000 0.477 111 C N 1.073 120.339 119.300 -0.057 0.000 3.065 111 C HA 0.159 4.611 4.460 -0.013 0.000 0.285 111 C C 0.330 175.289 174.990 -0.051 0.000 1.257 111 C CA -0.433 58.564 59.018 -0.036 0.000 1.691 111 C CB -0.925 26.803 27.740 -0.019 0.000 2.089 111 C HN 0.955 nan 8.230 nan 0.000 0.630 112 R N -0.001 120.446 120.500 -0.088 0.000 2.739 112 R HA 0.404 4.737 4.340 -0.013 0.000 0.271 112 R C -0.954 175.260 176.300 -0.143 0.000 1.010 112 R CA -0.567 55.480 56.100 -0.087 0.000 0.897 112 R CB 0.786 31.052 30.300 -0.055 0.000 1.236 112 R HN -0.167 nan 8.270 nan 0.000 0.466 113 D N 0.786 121.113 120.400 -0.122 0.000 2.162 113 D HA -0.026 4.606 4.640 -0.013 0.000 0.205 113 D C 0.546 176.761 176.300 -0.142 0.000 0.964 113 D CA 1.915 55.827 54.000 -0.148 0.000 0.847 113 D CB 0.334 41.068 40.800 -0.110 0.000 0.988 113 D HN 0.714 nan 8.370 nan 0.000 0.480 114 T N -1.254 113.248 114.554 -0.086 0.000 2.930 114 T HA 0.688 5.030 4.350 -0.013 0.000 0.290 114 T C -0.208 174.511 174.700 0.031 0.000 1.052 114 T CA -0.909 61.169 62.100 -0.036 0.000 1.017 114 T CB 2.067 70.939 68.868 0.007 0.000 1.137 114 T HN -0.154 nan 8.240 nan 0.000 0.511 115 I N -0.218 120.374 120.570 0.036 0.000 2.569 115 I HA 0.557 4.719 4.170 -0.013 0.000 0.296 115 I C 0.373 176.449 176.117 -0.069 0.000 1.028 115 I CA -1.272 60.044 61.300 0.027 0.000 1.082 115 I CB 1.605 39.586 38.000 -0.032 0.000 1.264 115 I HN 0.653 nan 8.210 nan 0.000 0.429 116 R N 1.862 122.201 120.500 -0.268 0.000 2.583 116 R HA 0.166 4.498 4.340 -0.013 0.000 0.274 116 R C -0.162 175.977 176.300 -0.269 0.000 0.998 116 R CA 0.513 56.247 56.100 -0.611 0.000 1.081 116 R CB 0.420 30.453 30.300 -0.445 0.000 0.940 116 R HN 0.824 nan 8.270 nan 0.000 0.413 117 T N 3.252 117.647 114.554 -0.266 0.000 2.945 117 T HA 0.482 4.824 4.350 -0.013 0.000 0.286 117 T C -1.412 173.256 174.700 -0.053 0.000 1.025 117 T CA -0.559 61.460 62.100 -0.136 0.000 1.039 117 T CB 0.566 69.339 68.868 -0.158 0.000 1.068 117 T HN 0.494 nan 8.240 nan 0.000 0.497 118 Y N 1.591 121.807 120.300 -0.139 0.000 2.425 118 Y HA 0.648 5.191 4.550 -0.012 0.000 0.344 118 Y C -0.409 175.426 175.900 -0.107 0.000 0.969 118 Y CA -1.362 56.645 58.100 -0.155 0.000 1.052 118 Y CB 0.866 39.199 38.460 -0.211 0.000 1.215 118 Y HN 0.532 nan 8.280 nan 0.000 0.451 119 N N 2.337 121.001 118.700 -0.061 0.000 2.401 119 N HA 0.186 4.918 4.740 -0.013 0.000 0.255 119 N C -0.905 174.575 175.510 -0.050 0.000 1.110 119 N CA -0.037 52.939 53.050 -0.123 0.000 0.949 119 N CB 0.714 39.128 38.487 -0.122 0.000 1.110 119 N HN 0.766 nan 8.380 nan 0.000 0.490 120 T N 3.780 118.264 114.554 -0.118 0.000 2.799 120 T HA 0.026 4.368 4.350 -0.013 0.000 0.296 120 T C 0.269 175.013 174.700 0.074 0.000 0.947 120 T CA -0.130 62.009 62.100 0.065 0.000 1.141 120 T CB -0.163 68.720 68.868 0.024 0.000 0.891 120 T HN 0.550 nan 8.240 nan 0.000 0.533 121 C N 4.950 124.342 119.300 0.153 0.000 3.089 121 C HA 0.534 4.986 4.460 -0.013 0.000 0.548 121 C C 1.473 176.582 174.990 0.198 0.000 1.205 121 C CA -1.180 57.886 59.018 0.079 0.000 1.398 121 C CB -2.591 25.165 27.740 0.025 0.000 1.764 121 C HN 0.943 nan 8.230 nan 0.000 0.638 122 A N 0.953 123.949 122.820 0.295 0.000 2.322 122 A HA 0.676 4.989 4.320 -0.013 0.000 0.269 122 A C 0.772 178.468 177.584 0.187 0.000 1.094 122 A CA 0.103 52.352 52.037 0.353 0.000 0.807 122 A CB 0.319 19.483 19.000 0.273 0.000 1.047 122 A HN 0.665 nan 8.150 nan 0.000 0.487 123 G N 0.504 109.433 108.800 0.214 0.000 2.547 123 G HA2 0.570 4.522 3.960 -0.013 0.000 0.291 123 G HA3 0.570 4.522 3.960 -0.013 0.000 0.291 123 G C -2.361 172.686 174.900 0.245 0.000 1.211 123 G CA -1.235 43.972 45.100 0.178 0.000 0.950 123 G HN 0.642 nan 8.290 nan 0.000 0.504 124 P HA 0.102 nan 4.420 nan 0.000 0.272 124 P C -0.914 176.292 177.300 -0.158 0.000 1.223 124 P CA -0.023 63.095 63.100 0.031 0.000 0.784 124 P CB 0.788 32.355 31.700 -0.222 0.000 0.923 125 H N 0.592 119.486 119.070 -0.293 0.000 2.502 125 H HA 0.367 4.915 4.556 -0.013 0.000 0.327 125 H C -0.420 174.607 175.328 -0.503 0.000 1.099 125 H CA 0.117 55.909 56.048 -0.428 0.000 1.323 125 H CB 0.288 29.577 29.762 -0.789 0.000 1.450 125 H HN 0.302 nan 8.280 nan 0.000 0.502 147 R N -0.148 120.267 120.500 -0.141 0.000 2.480 147 R HA 0.281 4.613 4.340 -0.013 0.000 0.277 147 R C -1.002 175.213 176.300 -0.142 0.000 1.008 147 R CA 0.318 56.336 56.100 -0.137 0.000 1.090 147 R CB -0.100 30.102 30.300 -0.162 0.000 1.234 147 R HN 0.546 nan 8.270 nan 0.000 0.549 148 Y N -0.449 119.855 120.300 0.007 0.000 2.793 148 Y HA 0.182 4.724 4.550 -0.013 0.000 0.374 148 Y C -0.147 175.754 175.900 0.002 0.000 1.135 148 Y CA -1.821 56.271 58.100 -0.012 0.000 1.451 148 Y CB 0.185 38.620 38.460 -0.043 0.000 1.541 148 Y HN -0.043 nan 8.280 nan 0.000 0.546 149 D N 0.678 121.159 120.400 0.136 0.000 2.994 149 D HA 0.037 4.669 4.640 -0.013 0.000 0.240 149 D C 0.579 176.896 176.300 0.028 0.000 1.195 149 D CA 0.332 54.380 54.000 0.080 0.000 0.957 149 D CB 0.072 40.906 40.800 0.057 0.000 1.105 149 D HN 0.268 nan 8.370 nan 0.000 0.477 150 D N 0.289 120.713 120.400 0.040 0.000 2.277 150 D HA -0.096 4.536 4.640 -0.013 0.000 0.208 150 D C 1.958 178.213 176.300 -0.075 0.000 0.962 150 D CA 0.162 54.166 54.000 0.005 0.000 0.865 150 D CB 0.236 41.046 40.800 0.018 0.000 0.939 150 D HN 0.345 nan 8.370 nan 0.000 0.510 151 L N 1.238 122.378 121.223 -0.139 0.000 1.976 151 L HA -0.136 4.196 4.340 -0.013 0.000 0.209 151 L C 1.574 177.969 176.870 -0.791 0.000 1.071 151 L CA 1.657 56.213 54.840 -0.474 0.000 0.746 151 L CB -0.471 41.469 42.059 -0.200 0.000 0.890 151 L HN -0.093 nan 8.230 nan 0.000 0.432 152 N N -0.122 118.334 118.700 -0.407 0.000 2.331 152 N HA -0.087 4.645 4.740 -0.013 0.000 0.180 152 N C 1.767 177.097 175.510 -0.300 0.000 1.019 152 N CA 1.193 54.030 53.050 -0.356 0.000 0.881 152 N CB -0.270 38.164 38.487 -0.088 0.000 0.972 152 N HN 0.549 nan 8.380 nan 0.000 0.435 153 A N 1.429 124.125 122.820 -0.208 0.000 1.902 153 A HA -0.143 4.169 4.320 -0.013 0.000 0.217 153 A C 1.977 179.473 177.584 -0.147 0.000 1.181 153 A CA 1.126 53.091 52.037 -0.120 0.000 0.623 153 A CB -1.021 17.954 19.000 -0.042 0.000 0.818 153 A HN 0.462 nan 8.150 nan 0.000 0.443 154 F N -0.837 118.959 119.950 -0.256 0.000 2.407 154 F HA 0.115 4.634 4.527 -0.013 0.000 0.299 154 F C 1.530 177.108 175.800 -0.371 0.000 1.097 154 F CA 0.823 58.627 58.000 -0.327 0.000 1.422 154 F CB -0.297 38.458 39.000 -0.408 0.000 1.067 154 F HN 0.069 nan 8.300 nan 0.000 0.539 155 L N -0.340 120.405 121.223 -0.797 0.000 2.240 155 L HA -0.049 4.283 4.340 -0.013 0.000 0.211 155 L C 1.957 178.423 176.870 -0.672 0.000 1.106 155 L CA 0.800 55.139 54.840 -0.835 0.000 0.793 155 L CB -0.467 40.888 42.059 -1.173 0.000 0.927 155 L HN 0.313 nan 8.230 nan 0.000 0.446 156 H N -2.068 116.905 119.070 -0.162 0.000 2.916 156 H HA 0.281 4.829 4.556 -0.014 0.000 0.229 156 H C 0.754 176.039 175.328 -0.072 0.000 0.917 156 H CA 0.058 56.046 56.048 -0.100 0.000 1.048 156 H CB 0.706 30.411 29.762 -0.095 0.000 1.417 156 H HN 0.086 nan 8.280 nan 0.000 0.445 157 R N 0.971 121.482 120.500 0.019 0.000 2.776 157 R HA 0.417 4.749 4.340 -0.013 0.000 0.391 157 R C 0.954 177.243 176.300 -0.018 0.000 1.116 157 R CA 0.134 56.239 56.100 0.009 0.000 1.056 157 R CB 0.854 31.163 30.300 0.015 0.000 1.369 157 R HN 0.126 nan 8.270 nan 0.000 0.590 158 A N 0.906 123.705 122.820 -0.036 0.000 2.014 158 A HA -0.177 4.135 4.320 -0.013 0.000 0.218 158 A C 1.401 178.956 177.584 -0.049 0.000 1.163 158 A CA 1.615 53.620 52.037 -0.054 0.000 0.652 158 A CB -0.119 18.823 19.000 -0.098 0.000 0.808 158 A HN 0.433 nan 8.150 nan 0.000 0.449 159 D N 0.371 120.753 120.400 -0.032 0.000 2.104 159 D HA -0.226 4.406 4.640 -0.013 0.000 0.194 159 D C 1.588 177.881 176.300 -0.013 0.000 0.994 159 D CA 1.789 55.778 54.000 -0.018 0.000 0.830 159 D CB -0.694 40.103 40.800 -0.005 0.000 0.959 159 D HN 0.616 nan 8.370 nan 0.000 0.452 160 E N -0.599 119.597 120.200 -0.008 0.000 2.072 160 E HA -0.071 4.271 4.350 -0.013 0.000 0.191 160 E C 2.020 178.619 176.600 -0.001 0.000 0.985 160 E CA 0.315 56.714 56.400 -0.001 0.000 0.801 160 E CB -0.155 29.548 29.700 0.004 0.000 0.750 160 E HN 0.170 nan 8.360 nan 0.000 0.452 161 L N 0.946 122.164 121.223 -0.008 0.000 2.042 161 L HA -0.176 4.156 4.340 -0.013 0.000 0.210 161 L C 2.096 178.952 176.870 -0.024 0.000 1.076 161 L CA 2.118 56.952 54.840 -0.011 0.000 0.749 161 L CB -0.623 41.427 42.059 -0.016 0.000 0.893 161 L HN 0.049 nan 8.230 nan 0.000 0.432 162 A N -0.500 122.300 122.820 -0.032 0.000 1.855 162 A HA -0.142 4.170 4.320 -0.013 0.000 0.215 162 A C 2.243 179.812 177.584 -0.025 0.000 1.191 162 A CA 1.908 53.922 52.037 -0.038 0.000 0.613 162 A CB -0.933 18.042 19.000 -0.041 0.000 0.829 162 A HN 0.491 nan 8.150 nan 0.000 0.442 163 L N -0.362 120.853 121.223 -0.013 0.000 2.042 163 L HA -0.224 4.108 4.340 -0.013 0.000 0.210 163 L C 2.442 179.312 176.870 -0.001 0.000 1.076 163 L CA 1.765 56.602 54.840 -0.005 0.000 0.749 163 L CB -0.608 41.451 42.059 0.000 0.000 0.893 163 L HN 0.449 nan 8.230 nan 0.000 0.432 164 D N -0.024 120.378 120.400 0.003 0.000 2.097 164 D HA -0.196 4.436 4.640 -0.013 0.000 0.195 164 D C 2.096 178.399 176.300 0.004 0.000 0.989 164 D CA 1.212 55.221 54.000 0.016 0.000 0.827 164 D CB 0.060 40.878 40.800 0.031 0.000 0.966 164 D HN -0.007 nan 8.370 nan 0.000 0.456 165 L N 0.229 121.442 121.223 -0.018 0.000 2.017 165 L HA -0.043 4.289 4.340 -0.013 0.000 0.208 165 L C 2.438 179.290 176.870 -0.029 0.000 1.073 165 L CA 1.145 55.962 54.840 -0.039 0.000 0.745 165 L CB -1.278 40.746 42.059 -0.057 0.000 0.894 165 L HN 0.212 nan 8.230 nan 0.000 0.432 166 L N -0.423 120.786 121.223 -0.024 0.000 2.079 166 L HA -0.250 4.082 4.340 -0.013 0.000 0.210 166 L C 2.112 178.978 176.870 -0.007 0.000 1.081 166 L CA 1.839 56.668 54.840 -0.019 0.000 0.752 166 L CB -0.616 41.433 42.059 -0.017 0.000 0.896 166 L HN 0.320 nan 8.230 nan 0.000 0.433 167 D N -1.349 119.051 120.400 -0.000 0.000 2.149 167 D HA -0.202 4.430 4.640 -0.013 0.000 0.198 167 D C 2.221 178.529 176.300 0.013 0.000 0.990 167 D CA 1.379 55.385 54.000 0.008 0.000 0.839 167 D CB 0.021 40.831 40.800 0.015 0.000 0.948 167 D HN 0.539 nan 8.370 nan 0.000 0.460 168 S N -1.801 113.906 115.700 0.012 0.000 2.561 168 S HA 0.188 4.650 4.470 -0.013 0.000 0.225 168 S C 1.757 176.364 174.600 0.013 0.000 0.977 168 S CA 0.681 58.891 58.200 0.017 0.000 0.926 168 S CB 0.415 63.624 63.200 0.016 0.000 0.769 168 S HN 0.436 nan 8.310 nan 0.000 0.533 169 G N 0.765 109.568 108.800 0.006 0.000 2.179 169 G HA2 -0.180 3.772 3.960 -0.013 0.000 0.220 169 G HA3 -0.180 3.772 3.960 -0.013 0.000 0.220 169 G C -0.060 174.840 174.900 0.000 0.000 0.990 169 G CA -0.139 44.968 45.100 0.011 0.000 0.646 169 G HN 0.552 nan 8.290 nan 0.000 0.517 170 I N 2.591 123.148 120.570 -0.022 0.000 2.379 170 I HA 0.288 4.450 4.170 -0.013 0.000 0.290 170 I C 1.640 177.719 176.117 -0.064 0.000 1.063 170 I CA 0.655 61.925 61.300 -0.049 0.000 1.351 170 I CB 1.254 39.220 38.000 -0.056 0.000 1.410 170 I HN 0.223 nan 8.210 nan 0.000 0.505 171 T N 1.980 116.481 114.554 -0.088 0.000 3.145 171 T HA 0.601 4.943 4.350 -0.013 0.000 0.255 171 T C 0.258 174.861 174.700 -0.162 0.000 1.039 171 T CA -0.271 61.766 62.100 -0.105 0.000 0.928 171 T CB 0.273 69.083 68.868 -0.097 0.000 1.029 171 T HN 0.616 nan 8.240 nan 0.000 0.554 175 I N -0.102 120.313 120.570 -0.257 0.000 2.892 175 I HA 0.800 4.962 4.170 -0.013 0.000 0.306 175 I C -1.159 174.719 176.117 -0.399 0.000 1.078 175 I CA -0.884 59.883 61.300 -0.888 0.000 1.032 175 I CB 1.620 38.790 38.000 -1.383 0.000 1.229 175 I HN 0.777 nan 8.210 nan 0.000 0.435 176 W N 2.234 123.099 121.300 -0.725 0.000 1.590 176 W HA 0.565 5.217 4.660 -0.013 0.000 0.299 176 W C -2.672 173.957 176.519 0.183 0.000 0.872 176 W CA -1.554 55.735 57.345 -0.093 0.000 1.961 176 W CB -0.070 29.469 29.460 0.132 0.000 2.140 176 W HN 0.239 nan 8.180 nan 0.000 0.433 177 P HA -0.008 nan 4.420 nan 0.000 0.241 177 P C 0.744 178.142 177.300 0.162 0.000 1.191 177 P CA 0.767 63.940 63.100 0.121 0.000 0.771 177 P CB -0.008 31.613 31.700 -0.132 0.000 0.929 178 F N 0.361 120.611 119.950 0.500 0.000 2.664 178 F HA 0.023 4.541 4.527 -0.016 0.000 0.296 178 F C 1.848 178.100 175.800 0.752 0.000 1.125 178 F CA 0.438 58.858 58.000 0.700 0.000 1.444 178 F CB -0.809 38.618 39.000 0.712 0.000 1.114 178 F HN -0.156 nan 8.300 nan 0.000 0.576 179 D N 1.235 122.065 120.400 0.716 0.000 2.157 179 D HA -0.204 4.428 4.640 -0.013 0.000 0.191 179 D C -0.407 176.023 176.300 0.216 0.000 1.004 179 D CA 1.711 55.998 54.000 0.478 0.000 0.854 179 D CB -1.685 39.449 40.800 0.556 0.000 0.936 179 D HN 0.181 nan 8.370 nan 0.000 0.446 180 P HA -0.113 nan 4.420 nan 0.000 0.220 180 P C 0.747 177.899 177.300 -0.248 0.000 1.148 180 P CA 1.015 63.978 63.100 -0.228 0.000 0.803 180 P CB -0.139 31.253 31.700 -0.514 0.000 0.782 181 Y N -1.405 119.065 120.300 0.284 0.000 2.511 181 Y HA 0.239 4.783 4.550 -0.011 0.000 0.279 181 Y C 2.358 178.386 175.900 0.214 0.000 1.157 181 Y CA 0.236 58.529 58.100 0.322 0.000 1.300 181 Y CB -0.785 37.951 38.460 0.460 0.000 1.052 181 Y HN -0.084 nan 8.280 nan 0.000 0.529 182 A N 1.002 123.826 122.820 0.007 0.000 1.929 182 A HA -0.200 4.112 4.320 -0.013 0.000 0.216 182 A C 2.044 179.493 177.584 -0.224 0.000 1.176 182 A CA 1.641 53.360 52.037 -0.529 0.000 0.628 182 A CB -0.468 18.099 19.000 -0.721 0.000 0.816 182 A HN 0.603 nan 8.150 nan 0.000 0.444 183 E N 0.123 120.273 120.200 -0.084 0.000 2.106 183 E HA 0.044 4.386 4.350 -0.013 0.000 0.192 183 E C 1.861 178.476 176.600 0.024 0.000 0.984 183 E CA 1.054 57.431 56.400 -0.039 0.000 0.806 183 E CB -0.478 29.207 29.700 -0.025 0.000 0.750 183 E HN 0.416 nan 8.360 nan 0.000 0.458 184 A N 1.304 124.172 122.820 0.080 0.000 2.019 184 A HA -0.110 4.202 4.320 -0.013 0.000 0.219 184 A C 2.207 179.881 177.584 0.151 0.000 1.164 184 A CA 1.592 53.704 52.037 0.125 0.000 0.644 184 A CB -0.357 18.752 19.000 0.182 0.000 0.805 184 A HN 0.387 nan 8.150 nan 0.000 0.449 185 S N -2.468 113.338 115.700 0.175 0.000 2.780 185 S HA 0.198 4.660 4.470 -0.013 0.000 0.248 185 S C -0.079 174.675 174.600 0.257 0.000 1.036 185 S CA 0.425 58.772 58.200 0.245 0.000 1.061 185 S CB -0.038 63.399 63.200 0.396 0.000 1.037 185 S HN 0.439 nan 8.310 nan 0.000 0.584 186 D N 1.849 122.327 120.400 0.130 0.000 2.811 186 D HA -0.172 4.460 4.640 -0.013 0.000 0.231 186 D C 0.929 177.167 176.300 -0.103 0.000 1.157 186 D CA 1.101 55.147 54.000 0.077 0.000 0.716 186 D CB -1.708 39.218 40.800 0.211 0.000 1.077 186 D HN 1.128 nan 8.370 nan 0.000 0.428 187 G N -0.757 107.913 108.800 -0.217 0.000 2.176 187 G HA2 -0.372 3.580 3.960 -0.013 0.000 0.252 187 G HA3 -0.372 3.580 3.960 -0.013 0.000 0.252 187 G C 0.386 175.200 174.900 -0.142 0.000 1.024 187 G CA 0.629 45.512 45.100 -0.361 0.000 0.755 187 G HN 0.538 nan 8.290 nan 0.000 0.507 188 Y N -1.799 118.643 120.300 0.236 0.000 2.444 188 Y HA 0.481 5.023 4.550 -0.013 0.000 0.249 188 Y C 0.653 176.770 175.900 0.363 0.000 1.134 188 Y CA 0.143 58.397 58.100 0.255 0.000 1.261 188 Y CB 0.700 39.257 38.460 0.162 0.000 1.143 188 Y HN 0.435 nan 8.280 nan 0.000 0.523 189 Y N 0.284 120.822 120.300 0.397 0.000 2.436 189 Y HA 0.485 5.028 4.550 -0.013 0.000 0.327 189 Y C -1.967 174.160 175.900 0.379 0.000 1.138 189 Y CA -1.796 56.487 58.100 0.305 0.000 1.042 189 Y CB 1.160 39.757 38.460 0.228 0.000 1.302 189 Y HN -0.124 nan 8.280 nan 0.000 0.439 190 I N 6.013 126.311 120.570 -0.454 0.000 2.465 190 I HA 0.485 4.647 4.170 -0.013 0.000 0.291 190 I C -0.456 175.081 176.117 -0.967 0.000 1.014 190 I CA -0.488 60.503 61.300 -0.514 0.000 1.093 190 I CB 1.536 39.382 38.000 -0.257 0.000 1.267 190 I HN 0.740 nan 8.210 nan 0.000 0.431 191 S N 5.557 120.836 115.700 -0.702 0.000 2.579 191 S HA 0.149 4.611 4.470 -0.013 0.000 0.275 191 S C 0.976 175.460 174.600 -0.193 0.000 1.345 191 S CA -0.062 57.951 58.200 -0.312 0.000 1.031 191 S CB 1.333 64.550 63.200 0.028 0.000 0.892 191 S HN 0.824 nan 8.310 nan 0.000 0.529 192 K N 1.275 121.625 120.400 -0.083 0.000 2.147 192 K HA -0.077 4.235 4.320 -0.013 0.000 0.205 192 K C 2.392 178.962 176.600 -0.050 0.000 1.049 192 K CA 1.573 57.825 56.287 -0.059 0.000 0.936 192 K CB -0.243 32.251 32.500 -0.011 0.000 0.722 192 K HN 0.805 nan 8.250 nan 0.000 0.446 193 S N 0.047 115.725 115.700 -0.036 0.000 2.439 193 S HA -0.049 4.413 4.470 -0.013 0.000 0.224 193 S C 1.402 175.956 174.600 -0.078 0.000 1.029 193 S CA 0.741 58.924 58.200 -0.028 0.000 0.946 193 S CB -0.018 63.187 63.200 0.008 0.000 0.797 193 S HN 0.116 nan 8.310 nan 0.000 0.504 194 D N 1.581 121.898 120.400 -0.139 0.000 2.178 194 D HA -0.019 4.613 4.640 -0.013 0.000 0.201 194 D C 1.793 177.806 176.300 -0.479 0.000 0.980 194 D CA 0.726 54.505 54.000 -0.368 0.000 0.842 194 D CB -0.428 40.133 40.800 -0.397 0.000 0.948 194 D HN 0.370 nan 8.370 nan 0.000 0.472 195 L N 0.966 122.038 121.223 -0.253 0.000 2.017 195 L HA -0.102 4.230 4.340 -0.013 0.000 0.208 195 L C 1.854 178.697 176.870 -0.045 0.000 1.073 195 L CA 1.839 56.611 54.840 -0.114 0.000 0.745 195 L CB -0.331 41.683 42.059 -0.075 0.000 0.894 195 L HN -0.186 nan 8.230 nan 0.000 0.432 196 K N -1.104 119.272 120.400 -0.040 0.000 2.217 196 K HA -0.110 4.202 4.320 -0.013 0.000 0.202 196 K C 2.307 178.905 176.600 -0.004 0.000 1.051 196 K CA 0.876 57.168 56.287 0.009 0.000 0.952 196 K CB -0.050 32.464 32.500 0.022 0.000 0.736 196 K HN 0.219 nan 8.250 nan 0.000 0.453 197 R N -0.178 120.294 120.500 -0.046 0.000 2.075 197 R HA -0.052 4.280 4.340 -0.013 0.000 0.232 197 R C 1.978 178.264 176.300 -0.022 0.000 1.126 197 R CA 1.322 57.413 56.100 -0.016 0.000 0.963 197 R CB -0.095 30.213 30.300 0.013 0.000 0.858 197 R HN 0.154 nan 8.270 nan 0.000 0.435 198 A N 0.177 122.931 122.820 -0.109 0.000 2.119 198 A HA -0.062 4.250 4.320 -0.013 0.000 0.217 198 A C 1.708 179.151 177.584 -0.236 0.000 1.153 198 A CA 0.684 52.604 52.037 -0.196 0.000 0.692 198 A CB -0.099 18.672 19.000 -0.381 0.000 0.799 198 A HN 0.176 nan 8.150 nan 0.000 0.458 199 L N 0.015 121.201 121.223 -0.061 0.000 2.376 199 L HA -0.039 4.293 4.340 -0.013 0.000 0.219 199 L C 2.054 178.943 176.870 0.032 0.000 1.133 199 L CA 1.390 56.265 54.840 0.058 0.000 0.816 199 L CB -0.820 41.289 42.059 0.083 0.000 0.933 199 L HN 0.475 nan 8.230 nan 0.000 0.449 200 E N -0.390 119.806 120.200 -0.006 0.000 2.077 200 E HA -0.210 4.132 4.350 -0.013 0.000 0.193 200 E C -0.495 176.060 176.600 -0.075 0.000 0.989 200 E CA 1.234 57.627 56.400 -0.012 0.000 0.800 200 E CB -0.818 28.885 29.700 0.006 0.000 0.746 200 E HN 0.394 nan 8.360 nan 0.000 0.452 201 P HA -0.188 nan 4.420 nan 0.000 0.217 201 P C 0.708 177.758 177.300 -0.416 0.000 1.151 201 P CA 1.287 64.197 63.100 -0.316 0.000 0.849 201 P CB -0.053 31.363 31.700 -0.472 0.000 0.787 202 F N -0.754 119.023 119.950 -0.287 0.000 2.234 202 F HA -0.057 4.462 4.527 -0.013 0.000 0.296 202 F C 2.474 178.133 175.800 -0.235 0.000 1.089 202 F CA 0.997 58.756 58.000 -0.402 0.000 1.343 202 F CB -0.936 37.526 39.000 -0.896 0.000 1.040 202 F HN -0.086 nan 8.300 nan 0.000 0.498 203 E N 0.914 121.126 120.200 0.020 0.000 2.077 203 E HA -0.172 4.170 4.350 -0.013 0.000 0.193 203 E C 2.038 178.702 176.600 0.106 0.000 0.989 203 E CA 1.417 57.935 56.400 0.198 0.000 0.800 203 E CB -0.084 29.729 29.700 0.188 0.000 0.746 203 E HN 0.202 nan 8.360 nan 0.000 0.452 204 K N -0.138 120.278 120.400 0.027 0.000 2.026 204 K HA -0.145 4.167 4.320 -0.013 0.000 0.208 204 K C 2.332 178.936 176.600 0.006 0.000 1.048 204 K CA 1.599 57.890 56.287 0.008 0.000 0.929 204 K CB -0.355 32.130 32.500 -0.025 0.000 0.713 204 K HN 0.339 nan 8.250 nan 0.000 0.439 205 I N -0.828 119.733 120.570 -0.015 0.000 2.617 205 I HA -0.106 4.056 4.170 -0.013 0.000 0.256 205 I C 2.203 178.343 176.117 0.039 0.000 1.167 205 I CA 1.017 62.312 61.300 -0.009 0.000 1.469 205 I CB -0.086 37.880 38.000 -0.056 0.000 1.098 205 I HN -0.088 nan 8.210 nan 0.000 0.436 206 R N 0.664 121.220 120.500 0.092 0.000 2.096 206 R HA -0.133 4.199 4.340 -0.013 0.000 0.235 206 R C 2.376 178.725 176.300 0.082 0.000 1.127 206 R CA 1.434 57.609 56.100 0.124 0.000 0.968 206 R CB -0.155 30.279 30.300 0.223 0.000 0.861 206 R HN 0.249 nan 8.270 nan 0.000 0.440 207 R N -0.428 120.114 120.500 0.071 0.000 2.075 207 R HA 0.026 4.358 4.340 -0.013 0.000 0.232 207 R C 2.036 178.355 176.300 0.032 0.000 1.126 207 R CA 1.678 57.807 56.100 0.049 0.000 0.963 207 R CB -0.300 30.027 30.300 0.045 0.000 0.858 207 R HN 0.324 nan 8.270 nan 0.000 0.435 208 A N -0.566 122.269 122.820 0.025 0.000 1.874 208 A HA -0.032 4.280 4.320 -0.013 0.000 0.214 208 A C 1.894 179.485 177.584 0.011 0.000 1.189 208 A CA 1.636 53.681 52.037 0.014 0.000 0.615 208 A CB -0.108 18.895 19.000 0.005 0.000 0.830 208 A HN 0.210 nan 8.150 nan 0.000 0.443 209 V N -4.725 115.196 119.914 0.012 0.000 3.539 209 V HA 0.542 4.654 4.120 -0.013 0.000 0.262 209 V C 1.578 177.681 176.094 0.014 0.000 1.381 209 V CA 0.730 63.034 62.300 0.007 0.000 1.060 209 V CB -0.858 30.962 31.823 -0.005 0.000 0.842 209 V HN 1.491 nan 8.190 nan 0.000 0.445 210 G N 1.635 110.451 108.800 0.027 0.000 2.634 210 G HA2 -0.423 3.530 3.960 -0.013 0.000 0.318 210 G HA3 -0.423 3.530 3.960 -0.013 0.000 0.318 210 G C 0.500 175.420 174.900 0.033 0.000 1.207 210 G CA 0.967 46.089 45.100 0.037 0.000 0.987 210 G HN 0.452 nan 8.290 nan 0.000 0.547 211 D N 1.959 122.374 120.400 0.025 0.000 2.378 211 D HA 0.150 4.783 4.640 -0.013 0.000 0.227 211 D C 1.524 177.828 176.300 0.008 0.000 1.012 211 D CA 0.861 54.873 54.000 0.022 0.000 0.905 211 D CB 0.073 40.885 40.800 0.019 0.000 0.895 211 D HN 0.451 nan 8.370 nan 0.000 0.532 218 E N 2.957 123.102 120.200 -0.092 0.000 2.204 218 E HA 0.708 5.050 4.350 -0.013 0.000 0.276 218 E C -0.654 175.782 176.600 -0.273 0.000 0.974 218 E CA -0.256 56.074 56.400 -0.117 0.000 0.815 218 E CB 1.455 31.081 29.700 -0.124 0.000 1.119 218 E HN 0.475 nan 8.360 nan 0.000 0.393 219 F N 1.357 121.356 119.950 0.082 0.000 2.767 219 F HA 0.235 4.753 4.527 -0.015 0.000 0.323 219 F C 0.285 176.197 175.800 0.186 0.000 1.091 219 F CA -0.258 57.876 58.000 0.224 0.000 1.192 219 F CB 0.167 39.293 39.000 0.211 0.000 1.056 219 F HN 0.710 nan 8.300 nan 0.000 0.571 220 H N -0.293 118.909 119.070 0.221 0.000 2.861 220 H HA -0.235 4.313 4.556 -0.013 0.000 0.289 220 H C 0.924 176.273 175.328 0.035 0.000 1.176 220 H CA 0.347 56.441 56.048 0.076 0.000 1.146 220 H CB -1.780 27.987 29.762 0.009 0.000 1.330 220 H HN 0.159 nan 8.280 nan 0.000 0.379 221 S N -1.786 113.998 115.700 0.141 0.000 3.561 221 S HA -0.249 4.213 4.470 -0.013 0.000 0.318 221 S C 1.313 175.895 174.600 -0.030 0.000 1.181 221 S CA 0.899 59.121 58.200 0.036 0.000 0.916 221 S CB -1.204 61.990 63.200 -0.010 0.000 0.966 221 S HN 0.554 nan 8.310 nan 0.000 0.550 222 L N -1.566 119.630 121.223 -0.045 0.000 2.446 222 L HA 0.192 4.524 4.340 -0.013 0.000 0.219 222 L C 0.752 177.318 176.870 -0.506 0.000 1.116 222 L CA 0.617 55.276 54.840 -0.301 0.000 0.844 222 L CB 0.171 41.994 42.059 -0.393 0.000 0.970 222 L HN 0.429 nan 8.230 nan 0.000 0.457 223 W N -0.084 121.149 121.300 -0.111 0.000 2.570 223 W HA 0.328 4.983 4.660 -0.009 0.000 0.337 223 W C 0.385 176.751 176.519 -0.256 0.000 1.067 223 W CA -0.692 56.538 57.345 -0.192 0.000 1.229 223 W CB 0.768 30.087 29.460 -0.235 0.000 1.355 223 W HN -0.175 nan 8.180 nan 0.000 0.555 224 N N 1.017 119.687 118.700 -0.050 0.000 2.566 224 N HA 0.229 4.961 4.740 -0.013 0.000 0.299 224 N C 0.662 176.171 175.510 -0.001 0.000 1.277 224 N CA -0.581 52.395 53.050 -0.124 0.000 0.965 224 N CB 0.850 39.106 38.487 -0.386 0.000 1.142 224 N HN 0.346 nan 8.380 nan 0.000 0.596 225 L N 1.907 123.146 121.223 0.027 0.000 2.023 225 L HA 0.030 4.362 4.340 -0.013 0.000 0.205 225 L C -1.017 175.881 176.870 0.046 0.000 1.073 225 L CA 1.767 56.634 54.840 0.045 0.000 0.745 225 L CB -1.290 40.803 42.059 0.055 0.000 0.900 225 L HN 0.453 nan 8.230 nan 0.000 0.435 226 P HA -0.110 nan 4.420 nan 0.000 0.215 226 P C -1.480 175.818 177.300 -0.004 0.000 1.157 226 P CA 1.959 65.089 63.100 0.049 0.000 0.868 226 P CB -1.379 30.379 31.700 0.097 0.000 0.788 227 P HA -0.068 nan 4.420 nan 0.000 0.219 227 P C 1.420 178.506 177.300 -0.356 0.000 1.150 227 P CA 1.550 64.555 63.100 -0.159 0.000 0.814 227 P CB -0.449 31.211 31.700 -0.067 0.000 0.787 228 A N 0.577 123.240 122.820 -0.262 0.000 1.917 228 A HA -0.169 4.143 4.320 -0.013 0.000 0.219 228 A C 2.394 179.901 177.584 -0.128 0.000 1.182 228 A CA 1.594 53.450 52.037 -0.301 0.000 0.633 228 A CB -1.644 17.259 19.000 -0.161 0.000 0.819 228 A HN 0.152 nan 8.150 nan 0.000 0.448 229 L N -1.342 119.834 121.223 -0.079 0.000 2.109 229 L HA -0.192 4.140 4.340 -0.013 0.000 0.207 229 L C 2.879 179.647 176.870 -0.171 0.000 1.086 229 L CA 1.565 56.330 54.840 -0.126 0.000 0.760 229 L CB -0.526 41.485 42.059 -0.080 0.000 0.910 229 L HN 0.539 nan 8.230 nan 0.000 0.437 230 Q N 0.496 120.190 119.800 -0.176 0.000 2.050 230 Q HA -0.204 4.128 4.340 -0.013 0.000 0.202 230 Q C 2.358 178.223 176.000 -0.226 0.000 0.980 230 Q CA 1.608 57.305 55.803 -0.176 0.000 0.840 230 Q CB -0.005 28.628 28.738 -0.175 0.000 0.898 230 Q HN 0.501 nan 8.270 nan 0.000 0.424 231 I N 0.407 120.760 120.570 -0.360 0.000 2.179 231 I HA -0.285 3.877 4.170 -0.013 0.000 0.242 231 I C 2.440 178.358 176.117 -0.333 0.000 1.088 231 I CA 1.033 62.059 61.300 -0.456 0.000 1.357 231 I CB -0.433 37.035 38.000 -0.887 0.000 1.051 231 I HN 0.223 nan 8.210 nan 0.000 0.409 232 A N 0.435 123.080 122.820 -0.292 0.000 1.908 232 A HA -0.297 4.015 4.320 -0.013 0.000 0.218 232 A C 2.213 179.739 177.584 -0.098 0.000 1.181 232 A CA 2.246 54.181 52.037 -0.170 0.000 0.627 232 A CB -0.623 18.209 19.000 -0.281 0.000 0.818 232 A HN 0.448 nan 8.150 nan 0.000 0.445 233 E N 0.272 120.397 120.200 -0.125 0.000 2.110 233 E HA -0.063 4.280 4.350 -0.013 0.000 0.193 233 E C 1.896 178.468 176.600 -0.047 0.000 0.988 233 E CA 1.575 57.924 56.400 -0.084 0.000 0.804 233 E CB -0.459 29.188 29.700 -0.088 0.000 0.745 233 E HN 0.481 nan 8.360 nan 0.000 0.458 234 A N -0.016 122.777 122.820 -0.045 0.000 2.066 234 A HA -0.013 4.299 4.320 -0.013 0.000 0.218 234 A C 2.096 179.735 177.584 0.091 0.000 1.157 234 A CA 0.900 52.949 52.037 0.019 0.000 0.670 234 A CB -0.342 18.675 19.000 0.027 0.000 0.804 234 A HN 0.349 nan 8.150 nan 0.000 0.453 235 L N -1.676 119.575 121.223 0.047 0.000 2.529 235 L HA 0.061 4.393 4.340 -0.013 0.000 0.223 235 L C 2.519 179.466 176.870 0.128 0.000 1.113 235 L CA 0.062 54.959 54.840 0.095 0.000 0.861 235 L CB -0.270 41.782 42.059 -0.011 0.000 1.012 235 L HN 0.359 nan 8.230 nan 0.000 0.461 236 R N 0.433 120.967 120.500 0.057 0.000 2.112 236 R HA -0.271 4.061 4.340 -0.013 0.000 0.242 236 R C 2.095 178.381 176.300 -0.024 0.000 1.137 236 R CA 2.005 58.112 56.100 0.011 0.000 0.944 236 R CB -0.268 30.016 30.300 -0.027 0.000 0.857 236 R HN 0.357 nan 8.270 nan 0.000 0.435 237 E N -0.331 119.810 120.200 -0.098 0.000 2.147 237 E HA -0.227 4.115 4.350 -0.013 0.000 0.199 237 E C 1.067 177.492 176.600 -0.291 0.000 1.005 237 E CA 1.496 57.738 56.400 -0.263 0.000 0.810 237 E CB -0.009 29.404 29.700 -0.479 0.000 0.736 237 E HN 0.444 nan 8.360 nan 0.000 0.460 238 Y N 0.344 120.643 120.300 -0.002 0.000 2.466 238 Y HA 0.132 4.681 4.550 -0.001 0.000 0.272 238 Y C 0.042 175.969 175.900 0.046 0.000 1.169 238 Y CA 0.329 58.446 58.100 0.028 0.000 1.285 238 Y CB 0.256 38.720 38.460 0.006 0.000 1.078 238 Y HN -0.015 nan 8.280 nan 0.000 0.523 239 E N 0.955 121.230 120.200 0.125 0.000 2.183 239 E HA -0.206 4.136 4.350 -0.013 0.000 0.196 239 E C -0.006 176.672 176.600 0.130 0.000 1.364 239 E CA 0.511 56.966 56.400 0.092 0.000 0.700 239 E CB -1.569 28.170 29.700 0.065 0.000 1.106 239 E HN 0.453 nan 8.360 nan 0.000 0.347 240 T N -2.619 112.024 114.554 0.148 0.000 2.926 240 T HA 0.161 4.503 4.350 -0.013 0.000 0.307 240 T C 0.693 175.466 174.700 0.123 0.000 1.059 240 T CA -0.458 61.750 62.100 0.180 0.000 1.122 240 T CB 0.861 69.887 68.868 0.264 0.000 0.972 240 T HN 0.234 nan 8.240 nan 0.000 0.545 241 F N 1.519 121.447 119.950 -0.037 0.000 2.128 241 F HA 0.248 4.767 4.527 -0.015 0.000 0.295 241 F C 0.475 176.295 175.800 0.033 0.000 1.100 241 F CA 0.862 58.812 58.000 -0.084 0.000 1.260 241 F CB 0.170 39.022 39.000 -0.247 0.000 1.009 241 F HN 0.871 nan 8.300 nan 0.000 0.476 242 W N -0.917 120.382 121.300 -0.002 0.000 3.074 242 W HA 0.451 5.103 4.660 -0.014 0.000 0.332 242 W C -1.960 174.637 176.519 0.130 0.000 1.253 242 W CA -2.069 55.221 57.345 -0.092 0.000 1.180 242 W CB -0.324 29.080 29.460 -0.092 0.000 1.445 242 W HN -0.148 nan 8.180 nan 0.000 0.573 243 H N 1.433 120.815 119.070 0.520 0.000 2.587 243 H HA 0.339 4.886 4.556 -0.015 0.000 0.325 243 H C -0.909 174.657 175.328 0.396 0.000 1.012 243 H CA -0.849 55.517 56.048 0.531 0.000 1.213 243 H CB 2.169 32.285 29.762 0.590 0.000 1.431 243 H HN 0.546 nan 8.280 nan 0.000 0.492 244 E N 3.608 124.124 120.200 0.526 0.000 2.156 244 E HA 0.036 4.378 4.350 -0.013 0.000 0.279 244 E C -0.572 176.172 176.600 0.241 0.000 0.965 244 E CA -0.744 55.802 56.400 0.244 0.000 0.789 244 E CB 0.558 30.425 29.700 0.278 0.000 1.098 244 E HN 0.618 nan 8.360 nan 0.000 0.397 245 D N 4.807 125.260 120.400 0.089 0.000 2.704 245 D HA -0.152 4.480 4.640 -0.013 0.000 0.232 245 D C -1.781 174.554 176.300 0.059 0.000 1.183 245 D CA 0.390 54.416 54.000 0.043 0.000 0.647 245 D CB -0.487 40.337 40.800 0.041 0.000 1.013 245 D HN 0.498 nan 8.370 nan 0.000 0.415 246 P HA -0.054 nan 4.420 nan 0.000 0.221 246 P C 1.095 178.153 177.300 -0.405 0.000 1.150 246 P CA 0.874 63.692 63.100 -0.471 0.000 0.800 246 P CB 0.201 31.187 31.700 -1.190 0.000 0.787 247 I N -4.867 115.517 120.570 -0.310 0.000 3.002 247 I HA 0.622 4.784 4.170 -0.013 0.000 0.310 247 I C 0.412 176.462 176.117 -0.113 0.000 1.087 247 I CA -1.935 59.262 61.300 -0.173 0.000 1.017 247 I CB 2.209 40.109 38.000 -0.167 0.000 1.226 247 I HN -0.345 nan 8.210 nan 0.000 0.443 251 S N 0.296 115.963 115.700 -0.055 0.000 2.438 251 S HA 0.486 4.948 4.470 -0.013 0.000 0.293 251 S C 0.962 175.535 174.600 -0.045 0.000 1.141 251 S CA -0.549 57.624 58.200 -0.044 0.000 1.080 251 S CB 1.021 64.204 63.200 -0.029 0.000 0.978 251 S HN 0.244 nan 8.310 nan 0.000 0.479 252 L N 2.368 123.562 121.223 -0.049 0.000 2.446 252 L HA 0.029 4.361 4.340 -0.013 0.000 0.219 252 L C 2.183 179.034 176.870 -0.031 0.000 1.116 252 L CA 0.328 55.136 54.840 -0.053 0.000 0.844 252 L CB -0.240 41.774 42.059 -0.074 0.000 0.970 252 L HN 0.542 nan 8.230 nan 0.000 0.457 253 S N -0.376 115.313 115.700 -0.019 0.000 2.440 253 S HA -0.165 4.297 4.470 -0.013 0.000 0.240 253 S C 1.993 176.594 174.600 0.002 0.000 1.014 253 S CA 1.286 59.483 58.200 -0.005 0.000 0.980 253 S CB -0.106 63.094 63.200 -0.001 0.000 0.775 253 S HN 0.353 nan 8.310 nan 0.000 0.499 254 S N 0.826 116.525 115.700 -0.001 0.000 2.607 254 S HA 0.163 4.625 4.470 -0.013 0.000 0.224 254 S C 1.341 175.954 174.600 0.023 0.000 0.969 254 S CA 0.047 58.253 58.200 0.009 0.000 0.927 254 S CB -0.025 63.177 63.200 0.003 0.000 0.772 254 S HN 0.300 nan 8.310 nan 0.000 0.533 255 L N 1.275 122.509 121.223 0.018 0.000 2.249 255 L HA 0.282 4.614 4.340 -0.013 0.000 0.207 255 L C 2.066 178.983 176.870 0.078 0.000 1.090 255 L CA 1.395 56.259 54.840 0.039 0.000 0.802 255 L CB -0.287 41.774 42.059 0.003 0.000 0.947 255 L HN -0.050 nan 8.230 nan 0.000 0.453 256 K N 0.054 120.483 120.400 0.048 0.000 2.147 256 K HA -0.125 4.187 4.320 -0.013 0.000 0.205 256 K C 2.185 178.808 176.600 0.038 0.000 1.049 256 K CA 1.065 57.377 56.287 0.042 0.000 0.936 256 K CB -0.029 32.487 32.500 0.028 0.000 0.722 256 K HN 0.346 nan 8.250 nan 0.000 0.446 257 R N -0.847 119.678 120.500 0.042 0.000 2.096 257 R HA -0.204 4.128 4.340 -0.013 0.000 0.240 257 R C 2.328 178.648 176.300 0.033 0.000 1.139 257 R CA 1.905 58.024 56.100 0.032 0.000 0.952 257 R CB -0.535 29.787 30.300 0.038 0.000 0.854 257 R HN 0.273 nan 8.270 nan 0.000 0.436 258 Y N 1.014 121.294 120.300 -0.034 0.000 2.133 258 Y HA -0.193 4.350 4.550 -0.011 0.000 0.287 258 Y C 2.379 178.262 175.900 -0.028 0.000 1.134 258 Y CA 1.459 59.533 58.100 -0.044 0.000 1.133 258 Y CB -0.432 37.994 38.460 -0.057 0.000 0.987 258 Y HN 0.063 nan 8.280 nan 0.000 0.502 259 A N 0.324 123.198 122.820 0.090 0.000 1.917 259 A HA -0.296 4.017 4.320 -0.013 0.000 0.219 259 A C 2.047 179.579 177.584 -0.085 0.000 1.182 259 A CA 2.146 54.191 52.037 0.014 0.000 0.633 259 A CB -0.948 18.092 19.000 0.067 0.000 0.819 259 A HN 0.667 nan 8.150 nan 0.000 0.448 260 E N -1.131 119.026 120.200 -0.070 0.000 2.130 260 E HA -0.201 4.141 4.350 -0.013 0.000 0.196 260 E C 1.935 178.462 176.600 -0.121 0.000 0.998 260 E CA 1.354 57.708 56.400 -0.076 0.000 0.806 260 E CB -0.064 29.605 29.700 -0.052 0.000 0.738 260 E HN 0.534 nan 8.360 nan 0.000 0.459 261 R N -0.592 119.788 120.500 -0.200 0.000 2.397 261 R HA 0.175 4.507 4.340 -0.013 0.000 0.241 261 R C -0.230 175.895 176.300 -0.291 0.000 0.914 261 R CA -0.105 55.859 56.100 -0.226 0.000 1.071 261 R CB 1.008 31.171 30.300 -0.229 0.000 1.116 261 R HN -0.150 nan 8.270 nan 0.000 0.524 262 S N 0.192 115.698 115.700 -0.323 0.000 2.456 262 S HA 0.155 4.617 4.470 -0.013 0.000 0.316 262 S C 0.681 175.190 174.600 -0.151 0.000 1.089 262 S CA -0.695 57.344 58.200 -0.267 0.000 1.101 262 S CB 1.119 64.104 63.200 -0.359 0.000 0.995 262 S HN 0.197 nan 8.310 nan 0.000 0.468 263 L N 6.181 127.340 121.223 -0.107 0.000 1.994 263 L HA 0.287 4.619 4.340 -0.013 0.000 0.208 263 L C 1.350 178.137 176.870 -0.137 0.000 1.071 263 L CA 2.110 56.892 54.840 -0.097 0.000 0.745 263 L CB -1.004 41.018 42.059 -0.062 0.000 0.892 263 L HN 0.805 nan 8.230 nan 0.000 0.431 264 A N 0.970 123.650 122.820 -0.234 0.000 2.462 264 A HA 0.366 4.678 4.320 -0.013 0.000 0.243 264 A C -2.234 175.200 177.584 -0.250 0.000 1.076 264 A CA -0.892 50.939 52.037 -0.343 0.000 0.773 264 A CB -1.007 17.552 19.000 -0.735 0.000 1.010 264 A HN 0.319 nan 8.150 nan 0.000 0.493 265 P HA 0.149 nan 4.420 nan 0.000 0.271 265 P C -0.340 176.960 177.300 -0.000 0.000 1.216 265 P CA -0.080 62.975 63.100 -0.076 0.000 0.776 265 P CB 0.526 32.168 31.700 -0.097 0.000 0.881 266 V N 3.603 123.548 119.914 0.052 0.000 2.485 266 V HA -0.064 4.048 4.120 -0.013 0.000 0.287 266 V C 1.111 177.162 176.094 -0.072 0.000 1.022 266 V CA 0.161 62.507 62.300 0.076 0.000 1.067 266 V CB 0.112 31.994 31.823 0.098 0.000 0.967 266 V HN 0.739 nan 8.190 nan 0.000 0.479 267 C N 6.522 125.714 119.300 -0.180 0.000 2.285 267 C HA 0.826 5.278 4.460 -0.013 0.000 0.335 267 C C 0.390 175.234 174.990 -0.245 0.000 1.267 267 C CA -0.018 58.728 59.018 -0.453 0.000 1.762 267 C CB -0.797 26.212 27.740 -1.217 0.000 2.365 267 C HN 1.101 nan 8.230 nan 0.000 0.527 268 A N 4.414 127.130 122.820 -0.174 0.000 2.574 268 A HA 0.827 5.139 4.320 -0.013 0.000 0.297 268 A C -0.857 176.745 177.584 0.030 0.000 1.062 268 A CA -0.286 51.701 52.037 -0.083 0.000 0.686 268 A CB 1.737 20.687 19.000 -0.084 0.000 1.285 268 A HN 1.127 nan 8.150 nan 0.000 0.403 269 S N 0.008 115.753 115.700 0.075 0.000 2.546 269 S HA 0.398 4.860 4.470 -0.013 0.000 0.272 269 S C 0.617 175.280 174.600 0.104 0.000 1.140 269 S CA 0.276 58.478 58.200 0.005 0.000 0.920 269 S CB 1.324 64.473 63.200 -0.086 0.000 1.083 269 S HN 0.982 nan 8.310 nan 0.000 0.476 270 E N 2.019 122.269 120.200 0.083 0.000 2.338 270 E HA -0.118 4.224 4.350 -0.013 0.000 0.197 270 E C 1.180 177.962 176.600 0.303 0.000 1.007 270 E CA 1.651 58.154 56.400 0.172 0.000 0.849 270 E CB -0.536 29.132 29.700 -0.053 0.000 0.774 270 E HN 0.691 nan 8.360 nan 0.000 0.506 271 T N -1.210 113.414 114.554 0.116 0.000 3.113 271 T HA 0.091 4.433 4.350 -0.013 0.000 0.256 271 T C 0.607 175.307 174.700 -0.001 0.000 1.131 271 T CA -0.238 61.875 62.100 0.022 0.000 1.074 271 T CB 0.067 68.902 68.868 -0.056 0.000 0.944 271 T HN -0.037 nan 8.240 nan 0.000 0.516 272 L N 2.026 123.241 121.223 -0.012 0.000 2.325 272 L HA 0.771 5.103 4.340 -0.013 0.000 0.279 272 L C 0.005 176.913 176.870 0.063 0.000 1.054 272 L CA -1.273 53.472 54.840 -0.159 0.000 0.804 272 L CB 0.998 42.682 42.059 -0.625 0.000 1.200 272 L HN 0.339 nan 8.230 nan 0.000 0.436 273 A N 2.309 125.174 122.820 0.076 0.000 2.365 273 A HA 0.802 5.114 4.320 -0.013 0.000 0.318 273 A C -0.049 177.723 177.584 0.313 0.000 1.091 273 A CA 0.246 52.426 52.037 0.239 0.000 0.763 273 A CB 0.981 20.087 19.000 0.176 0.000 1.248 273 A HN 1.191 nan 8.150 nan 0.000 0.442 274 T N -0.358 114.434 114.554 0.398 0.000 0.541 274 T HA -0.214 4.128 4.350 -0.013 0.000 0.774 274 T C 0.717 175.656 174.700 0.398 0.000 0.992 274 T CA 1.147 63.493 62.100 0.411 0.000 4.077 274 T CB -0.811 68.382 68.868 0.541 0.000 2.303 274 T HN 0.952 nan 8.240 nan 0.000 0.398 275 R N -0.173 120.437 120.500 0.183 0.000 2.120 275 R HA -0.008 4.324 4.340 -0.013 0.000 0.234 275 R C 2.410 178.636 176.300 -0.123 0.000 1.123 275 R CA 2.346 58.376 56.100 -0.117 0.000 0.975 275 R CB -0.275 29.701 30.300 -0.539 0.000 0.866 275 R HN 0.703 nan 8.270 nan 0.000 0.446 276 W N -0.258 121.102 121.300 0.100 0.000 2.409 276 W HA 0.028 4.680 4.660 -0.013 0.000 0.299 276 W C 2.215 178.746 176.519 0.020 0.000 1.203 276 W CA 1.060 58.440 57.345 0.059 0.000 1.298 276 W CB -0.771 28.733 29.460 0.072 0.000 1.127 276 W HN 0.267 nan 8.180 nan 0.000 0.528 277 G N 0.257 109.200 108.800 0.239 0.000 2.440 277 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.218 277 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.218 277 G C 1.291 176.066 174.900 -0.207 0.000 1.154 277 G CA 0.789 45.875 45.100 -0.024 0.000 0.767 277 G HN 0.149 nan 8.290 nan 0.000 0.552 278 F N 0.637 120.564 119.950 -0.037 0.000 2.416 278 F HA 0.142 4.661 4.527 -0.014 0.000 0.296 278 F C 2.636 178.302 175.800 -0.223 0.000 1.099 278 F CA 0.910 58.834 58.000 -0.127 0.000 1.427 278 F CB -0.063 38.857 39.000 -0.133 0.000 1.079 278 F HN 0.084 nan 8.300 nan 0.000 0.536 279 R N 0.911 121.368 120.500 -0.072 0.000 2.103 279 R HA -0.188 4.144 4.340 -0.013 0.000 0.242 279 R C 1.630 177.848 176.300 -0.135 0.000 1.142 279 R CA 2.330 58.331 56.100 -0.166 0.000 0.960 279 R CB -0.722 29.499 30.300 -0.132 0.000 0.858 279 R HN 0.079 nan 8.270 nan 0.000 0.439 280 D N 0.236 120.589 120.400 -0.079 0.000 2.144 280 D HA -0.135 4.497 4.640 -0.013 0.000 0.200 280 D C 1.825 178.060 176.300 -0.110 0.000 0.978 280 D CA 1.094 55.053 54.000 -0.069 0.000 0.833 280 D CB -0.178 40.594 40.800 -0.046 0.000 0.961 280 D HN 0.236 nan 8.370 nan 0.000 0.470 281 L N 0.515 121.640 121.223 -0.163 0.000 2.056 281 L HA -0.064 4.268 4.340 -0.013 0.000 0.207 281 L C 2.061 178.833 176.870 -0.164 0.000 1.078 281 L CA 1.403 56.144 54.840 -0.164 0.000 0.749 281 L CB -0.514 41.424 42.059 -0.201 0.000 0.901 281 L HN -0.010 nan 8.230 nan 0.000 0.433 282 L N -0.855 120.205 121.223 -0.272 0.000 2.291 282 L HA -0.103 4.229 4.340 -0.013 0.000 0.214 282 L C 2.295 179.013 176.870 -0.254 0.000 1.120 282 L CA 0.759 55.312 54.840 -0.478 0.000 0.799 282 L CB -0.426 40.951 42.059 -1.137 0.000 0.925 282 L HN 0.354 nan 8.230 nan 0.000 0.446 283 E N -0.473 119.652 120.200 -0.125 0.000 2.285 283 E HA -0.152 4.190 4.350 -0.013 0.000 0.194 283 E C 2.108 178.728 176.600 0.034 0.000 0.997 283 E CA 1.401 57.812 56.400 0.019 0.000 0.845 283 E CB 0.032 29.746 29.700 0.023 0.000 0.782 283 E HN 0.543 nan 8.360 nan 0.000 0.491 284 T N -0.626 113.925 114.554 -0.004 0.000 2.881 284 T HA -0.169 4.173 4.350 -0.013 0.000 0.270 284 T C 0.976 175.699 174.700 0.038 0.000 1.068 284 T CA 0.732 62.838 62.100 0.011 0.000 1.131 284 T CB -0.207 68.655 68.868 -0.009 0.000 0.871 284 T HN 0.069 nan 8.240 nan 0.000 0.479 285 N N 0.873 119.608 118.700 0.059 0.000 2.721 285 N HA -0.191 4.541 4.740 -0.013 0.000 0.249 285 N C 0.601 176.146 175.510 0.059 0.000 1.072 285 N CA 0.758 53.862 53.050 0.090 0.000 0.710 285 N CB -1.308 37.244 38.487 0.109 0.000 0.993 285 N HN 0.774 nan 8.380 nan 0.000 0.547 286 A N -1.100 121.742 122.820 0.036 0.000 2.138 286 A HA 0.542 4.854 4.320 -0.013 0.000 0.203 286 A C 1.005 178.607 177.584 0.030 0.000 1.286 286 A CA 0.910 52.968 52.037 0.035 0.000 0.929 286 A CB 0.394 19.416 19.000 0.035 0.000 0.975 286 A HN 0.462 nan 8.150 nan 0.000 0.480 287 A N -0.329 122.496 122.820 0.009 0.000 2.371 287 A HA 0.523 4.835 4.320 -0.013 0.000 0.257 287 A C 1.224 178.809 177.584 0.001 0.000 1.089 287 A CA 0.282 52.315 52.037 -0.007 0.000 0.794 287 A CB 0.393 19.376 19.000 -0.028 0.000 1.029 287 A HN 0.726 nan 8.150 nan 0.000 0.488 288 G N 0.359 109.143 108.800 -0.025 0.000 2.724 288 G HA2 0.365 4.317 3.960 -0.013 0.000 0.205 288 G HA3 0.365 4.317 3.960 -0.013 0.000 0.205 288 G C 0.206 175.077 174.900 -0.048 0.000 1.112 288 G CA 0.142 45.226 45.100 -0.027 0.000 0.793 288 G HN 0.521 nan 8.290 nan 0.000 0.526 289 I N 1.908 122.411 120.570 -0.111 0.000 2.447 289 I HA 0.426 4.588 4.170 -0.013 0.000 0.287 289 I C -0.121 175.901 176.117 -0.159 0.000 1.023 289 I CA -0.957 60.243 61.300 -0.166 0.000 1.083 289 I CB 1.305 39.075 38.000 -0.383 0.000 1.245 289 I HN -0.259 nan 8.210 nan 0.000 0.434 293 D N 2.122 122.587 120.400 0.107 0.000 2.344 293 D HA 0.358 4.990 4.640 -0.013 0.000 0.239 293 D C 1.106 177.396 176.300 -0.017 0.000 1.064 293 D CA -0.498 53.481 54.000 -0.035 0.000 0.829 293 D CB 1.954 42.559 40.800 -0.325 0.000 1.129 293 D HN 0.838 nan 8.370 nan 0.000 0.506 294 I N 2.208 122.745 120.570 -0.056 0.000 2.614 294 I HA -0.149 4.013 4.170 -0.013 0.000 0.258 294 I C 1.200 177.337 176.117 0.033 0.000 1.189 294 I CA 1.231 62.525 61.300 -0.009 0.000 1.462 294 I CB -0.738 37.240 38.000 -0.035 0.000 1.092 294 I HN 0.210 nan 8.210 nan 0.000 0.442 295 S N -1.447 114.226 115.700 -0.046 0.000 2.593 295 S HA 0.037 4.499 4.470 -0.013 0.000 0.217 295 S C 1.196 175.964 174.600 0.281 0.000 0.966 295 S CA -0.428 57.802 58.200 0.050 0.000 0.914 295 S CB -0.431 62.756 63.200 -0.022 0.000 0.776 295 S HN 0.664 nan 8.310 nan 0.000 0.523 296 W N 0.591 121.982 121.300 0.152 0.000 2.773 296 W HA 0.375 5.027 4.660 -0.014 0.000 0.297 296 W C 1.997 178.599 176.519 0.138 0.000 1.050 296 W CA -0.737 56.695 57.345 0.144 0.000 1.467 296 W CB -0.679 28.871 29.460 0.150 0.000 0.977 296 W HN 0.558 nan 8.180 nan 0.000 0.573 297 C N -0.942 118.566 119.300 0.347 0.000 2.926 297 C HA 0.703 5.155 4.460 -0.013 0.000 0.272 297 C C 1.675 176.819 174.990 0.258 0.000 1.249 297 C CA 0.611 59.813 59.018 0.306 0.000 1.691 297 C CB -0.340 27.580 27.740 0.300 0.000 1.983 297 C HN 0.460 nan 8.230 nan 0.000 0.615 298 G N -0.391 108.550 108.800 0.234 0.000 2.164 298 G HA2 0.442 4.394 3.960 -0.013 0.000 0.154 298 G HA3 0.442 4.394 3.960 -0.013 0.000 0.154 298 G C 0.667 175.695 174.900 0.213 0.000 1.014 298 G CA 0.238 45.473 45.100 0.226 0.000 0.683 298 G HN 2.371 nan 8.290 nan 0.000 0.500 299 G N -1.298 107.613 108.800 0.185 0.000 2.566 299 G HA2 0.053 4.005 3.960 -0.013 0.000 0.599 299 G HA3 0.053 4.005 3.960 -0.013 0.000 0.599 299 G C 0.756 175.720 174.900 0.106 0.000 1.292 299 G CA -0.080 45.127 45.100 0.178 0.000 0.922 299 G HN 1.038 nan 8.290 nan 0.000 0.514 300 L N 0.337 121.590 121.223 0.050 0.000 2.131 300 L HA -0.061 4.271 4.340 -0.013 0.000 0.210 300 L C 3.156 179.978 176.870 -0.080 0.000 1.092 300 L CA 1.958 56.691 54.840 -0.178 0.000 0.759 300 L CB -0.567 41.106 42.059 -0.642 0.000 0.903 300 L HN 0.621 nan 8.230 nan 0.000 0.435 301 S N -0.457 115.387 115.700 0.240 0.000 2.359 301 S HA -0.210 4.252 4.470 -0.013 0.000 0.222 301 S C 1.930 176.631 174.600 0.169 0.000 1.038 301 S CA 1.487 59.886 58.200 0.332 0.000 1.051 301 S CB -0.144 63.290 63.200 0.391 0.000 0.944 301 S HN 0.422 nan 8.310 nan 0.000 0.433 302 E N 1.032 121.323 120.200 0.151 0.000 2.072 302 E HA -0.010 4.333 4.350 -0.013 0.000 0.191 302 E C 2.362 178.965 176.600 0.005 0.000 0.985 302 E CA 1.015 57.478 56.400 0.104 0.000 0.801 302 E CB -0.562 29.237 29.700 0.166 0.000 0.750 302 E HN 0.474 nan 8.360 nan 0.000 0.452 303 A N 1.524 124.331 122.820 -0.021 0.000 1.940 303 A HA -0.221 4.091 4.320 -0.013 0.000 0.219 303 A C 2.185 179.695 177.584 -0.123 0.000 1.176 303 A CA 1.564 53.539 52.037 -0.103 0.000 0.631 303 A CB -0.496 18.448 19.000 -0.093 0.000 0.814 303 A HN 0.110 nan 8.150 nan 0.000 0.446 304 R N -0.324 120.113 120.500 -0.106 0.000 2.133 304 R HA -0.218 4.114 4.340 -0.013 0.000 0.245 304 R C 2.165 178.424 176.300 -0.069 0.000 1.137 304 R CA 2.430 58.475 56.100 -0.092 0.000 0.947 304 R CB -0.257 30.015 30.300 -0.046 0.000 0.865 304 R HN 0.570 nan 8.270 nan 0.000 0.437 305 K N -0.446 119.922 120.400 -0.055 0.000 2.166 305 K HA 0.058 4.370 4.320 -0.013 0.000 0.201 305 K C 2.073 178.612 176.600 -0.102 0.000 1.052 305 K CA 0.762 57.016 56.287 -0.054 0.000 0.969 305 K CB 0.045 32.523 32.500 -0.036 0.000 0.761 305 K HN 0.092 nan 8.250 nan 0.000 0.459 306 I N 1.669 122.146 120.570 -0.155 0.000 2.151 306 I HA -0.339 3.823 4.170 -0.013 0.000 0.243 306 I C 2.526 178.502 176.117 -0.235 0.000 1.080 306 I CA 1.437 62.577 61.300 -0.266 0.000 1.339 306 I CB -0.423 37.276 38.000 -0.503 0.000 1.039 306 I HN 0.151 nan 8.210 nan 0.000 0.409 307 A N 0.430 123.137 122.820 -0.188 0.000 1.908 307 A HA -0.159 4.153 4.320 -0.013 0.000 0.218 307 A C 1.759 179.299 177.584 -0.073 0.000 1.181 307 A CA 1.736 53.695 52.037 -0.130 0.000 0.627 307 A CB -0.860 18.078 19.000 -0.103 0.000 0.818 307 A HN 0.550 nan 8.150 nan 0.000 0.445 311 E N 0.753 120.989 120.200 0.061 0.000 2.110 311 E HA -0.119 4.223 4.350 -0.013 0.000 0.193 311 E C 1.938 178.524 176.600 -0.022 0.000 0.988 311 E CA 1.271 57.690 56.400 0.032 0.000 0.804 311 E CB -0.122 29.585 29.700 0.012 0.000 0.745 311 E HN 0.672 nan 8.360 nan 0.000 0.458 312 A N 0.223 123.065 122.820 0.037 0.000 2.121 312 A HA -0.134 4.178 4.320 -0.013 0.000 0.218 312 A C 1.453 178.862 177.584 -0.291 0.000 1.154 312 A CA 0.533 52.505 52.037 -0.109 0.000 0.679 312 A CB -0.554 18.440 19.000 -0.010 0.000 0.795 312 A HN 0.493 nan 8.150 nan 0.000 0.458 313 W N -1.229 119.929 121.300 -0.236 0.000 3.239 313 W HA 0.237 4.889 4.660 -0.014 0.000 0.368 313 W C 0.111 176.586 176.519 -0.074 0.000 1.154 313 W CA 0.194 57.448 57.345 -0.152 0.000 1.860 313 W CB -0.129 29.305 29.460 -0.044 0.000 1.094 313 W HN 0.753 nan 8.180 nan 0.000 0.643 314 H N -0.856 118.303 119.070 0.148 0.000 2.936 314 H HA -0.165 4.383 4.556 -0.013 0.000 0.276 314 H C -0.177 175.203 175.328 0.087 0.000 1.216 314 H CA 0.622 56.719 56.048 0.082 0.000 1.132 314 H CB -1.942 27.845 29.762 0.041 0.000 1.303 314 H HN 0.009 nan 8.280 nan 0.000 0.370 315 L N 1.445 122.766 121.223 0.164 0.000 2.329 315 L HA 0.504 4.836 4.340 -0.013 0.000 0.279 315 L C -1.993 174.916 176.870 0.064 0.000 1.014 315 L CA -2.056 52.848 54.840 0.107 0.000 0.814 315 L CB 1.599 43.712 42.059 0.090 0.000 1.257 315 L HN -0.129 nan 8.230 nan 0.000 0.424 316 P HA 0.184 nan 4.420 nan 0.000 0.277 316 P C -0.789 176.516 177.300 0.007 0.000 1.240 316 P CA -0.357 62.770 63.100 0.044 0.000 0.798 316 P CB 1.626 33.373 31.700 0.080 0.000 0.979 317 V N 1.473 121.387 119.914 0.000 0.000 2.472 317 V HA 0.564 4.676 4.120 -0.013 0.000 0.290 317 V C 0.430 176.537 176.094 0.022 0.000 1.037 317 V CA -0.575 61.707 62.300 -0.030 0.000 0.908 317 V CB 1.155 32.935 31.823 -0.071 0.000 0.985 317 V HN 0.736 nan 8.190 nan 0.000 0.454 318 A N 6.855 129.686 122.820 0.018 0.000 2.293 318 A HA 0.791 5.103 4.320 -0.013 0.000 0.312 318 A C -2.745 174.900 177.584 0.102 0.000 1.309 318 A CA -1.674 50.437 52.037 0.122 0.000 0.839 318 A CB 0.723 19.854 19.000 0.217 0.000 1.155 318 A HN 0.641 nan 8.150 nan 0.000 0.501 319 P HA 0.045 nan 4.420 nan 0.000 0.267 319 P C -0.259 177.100 177.300 0.098 0.000 1.205 319 P CA 0.285 63.417 63.100 0.053 0.000 0.765 319 P CB 0.222 31.922 31.700 -0.000 0.000 0.828 320 H N 2.721 121.774 119.070 -0.028 0.000 2.722 320 H HA 0.054 4.602 4.556 -0.014 0.000 0.328 320 H C 0.034 175.272 175.328 -0.150 0.000 1.067 320 H CA 0.339 56.351 56.048 -0.060 0.000 1.447 320 H CB 0.934 30.635 29.762 -0.102 0.000 1.469 320 H HN 0.449 nan 8.280 nan 0.000 0.544 321 D N 1.745 121.817 120.400 -0.547 0.000 3.180 321 D HA 0.025 4.657 4.640 -0.013 0.000 0.226 321 D C 0.669 176.489 176.300 -0.800 0.000 1.252 321 D CA 0.831 54.508 54.000 -0.537 0.000 1.287 321 D CB -0.195 40.429 40.800 -0.294 0.000 0.919 321 D HN 0.698 nan 8.370 nan 0.000 0.186 322 C N 0.414 119.394 119.300 -0.533 0.000 4.145 322 C HA -0.123 4.329 4.460 -0.013 0.000 0.291 322 C C 1.095 175.957 174.990 -0.214 0.000 1.499 322 C CA 1.220 59.984 59.018 -0.423 0.000 2.043 322 C CB -3.059 24.472 27.740 -0.349 0.000 1.306 322 C HN 0.706 nan 8.230 nan 0.000 0.794 323 T N -2.473 111.961 114.554 -0.200 0.000 2.511 323 T HA 0.657 5.000 4.350 -0.013 0.000 0.209 323 T C 0.794 175.499 174.700 0.009 0.000 0.805 323 T CA 0.370 62.168 62.100 -0.504 0.000 1.241 323 T CB 0.370 68.802 68.868 -0.727 0.000 1.785 323 T HN 0.795 nan 8.240 nan 0.000 0.492 324 G N 1.345 110.126 108.800 -0.031 0.000 2.616 324 G HA2 0.473 4.425 3.960 -0.013 0.000 0.268 324 G HA3 0.473 4.425 3.960 -0.013 0.000 0.268 324 G C -1.430 173.223 174.900 -0.411 0.000 1.213 324 G CA -1.163 43.940 45.100 0.006 0.000 0.926 324 G HN 0.528 nan 8.290 nan 0.000 0.523 325 P HA -0.078 nan 4.420 nan 0.000 0.219 325 P C 1.888 178.960 177.300 -0.380 0.000 1.150 325 P CA 0.642 63.133 63.100 -1.016 0.000 0.814 325 P CB 0.133 31.313 31.700 -0.866 0.000 0.787 326 V N 0.152 119.985 119.914 -0.135 0.000 2.379 326 V HA -0.152 3.960 4.120 -0.013 0.000 0.245 326 V C 2.834 178.906 176.094 -0.037 0.000 1.044 326 V CA 1.407 63.688 62.300 -0.032 0.000 1.036 326 V CB -1.153 30.728 31.823 0.097 0.000 0.664 326 V HN -0.072 nan 8.190 nan 0.000 0.453 327 V N -0.019 119.865 119.914 -0.050 0.000 2.332 327 V HA -0.260 3.852 4.120 -0.013 0.000 0.248 327 V C 2.425 178.456 176.094 -0.105 0.000 1.055 327 V CA 2.174 64.426 62.300 -0.080 0.000 1.038 327 V CB -0.578 31.168 31.823 -0.128 0.000 0.651 327 V HN 0.525 nan 8.190 nan 0.000 0.450 328 L N 0.001 121.144 121.223 -0.134 0.000 2.042 328 L HA -0.166 4.166 4.340 -0.013 0.000 0.210 328 L C 2.423 179.238 176.870 -0.092 0.000 1.076 328 L CA 2.591 57.361 54.840 -0.117 0.000 0.749 328 L CB -0.970 41.032 42.059 -0.094 0.000 0.893 328 L HN 0.375 nan 8.230 nan 0.000 0.432 329 T N -0.231 114.276 114.554 -0.078 0.000 2.737 329 T HA -0.099 4.243 4.350 -0.013 0.000 0.265 329 T C 1.911 176.674 174.700 0.105 0.000 1.038 329 T CA 1.316 63.409 62.100 -0.013 0.000 1.144 329 T CB -0.617 68.254 68.868 0.005 0.000 0.866 329 T HN 0.504 nan 8.240 nan 0.000 0.434 330 A N 1.459 124.328 122.820 0.081 0.000 1.933 330 A HA -0.086 4.226 4.320 -0.013 0.000 0.218 330 A C 2.602 180.209 177.584 0.039 0.000 1.175 330 A CA 1.892 53.977 52.037 0.080 0.000 0.628 330 A CB -0.841 18.165 19.000 0.009 0.000 0.814 330 A HN 0.434 nan 8.150 nan 0.000 0.444 331 S N -0.404 115.286 115.700 -0.016 0.000 2.368 331 S HA -0.120 4.342 4.470 -0.013 0.000 0.224 331 S C 2.032 176.611 174.600 -0.035 0.000 1.029 331 S CA 1.738 59.913 58.200 -0.041 0.000 0.988 331 S CB -0.542 62.616 63.200 -0.069 0.000 0.838 331 S HN 0.701 nan 8.310 nan 0.000 0.462 332 T N 1.529 116.053 114.554 -0.051 0.000 2.788 332 T HA -0.117 4.225 4.350 -0.013 0.000 0.268 332 T C 1.593 176.233 174.700 -0.100 0.000 1.044 332 T CA 1.157 63.199 62.100 -0.097 0.000 1.139 332 T CB -0.428 68.350 68.868 -0.150 0.000 0.867 332 T HN 0.465 nan 8.240 nan 0.000 0.454 333 H N 0.459 119.514 119.070 -0.024 0.000 2.319 333 H HA -0.052 4.496 4.556 -0.013 0.000 0.299 333 H C 2.380 177.699 175.328 -0.015 0.000 1.092 333 H CA 1.565 57.630 56.048 0.028 0.000 1.302 333 H CB -0.560 29.213 29.762 0.018 0.000 1.373 333 H HN 0.204 nan 8.280 nan 0.000 0.497 334 L N 0.682 121.936 121.223 0.052 0.000 2.046 334 L HA -0.119 4.213 4.340 -0.013 0.000 0.208 334 L C 2.326 179.178 176.870 -0.030 0.000 1.077 334 L CA 1.474 56.298 54.840 -0.028 0.000 0.747 334 L CB -0.489 41.526 42.059 -0.072 0.000 0.896 334 L HN -0.019 nan 8.230 nan 0.000 0.432 335 S N -0.673 115.007 115.700 -0.034 0.000 2.447 335 S HA -0.024 4.438 4.470 -0.013 0.000 0.233 335 S C 1.861 176.427 174.600 -0.057 0.000 1.006 335 S CA 1.063 59.240 58.200 -0.038 0.000 0.957 335 S CB -0.273 62.904 63.200 -0.038 0.000 0.773 335 S HN 0.429 nan 8.310 nan 0.000 0.507 336 L N 1.130 122.302 121.223 -0.085 0.000 2.162 336 L HA -0.016 4.316 4.340 -0.013 0.000 0.205 336 L C 2.367 179.180 176.870 -0.095 0.000 1.086 336 L CA 1.018 55.769 54.840 -0.148 0.000 0.778 336 L CB -0.506 41.367 42.059 -0.310 0.000 0.928 336 L HN 0.329 nan 8.230 nan 0.000 0.446 337 N N 0.934 119.620 118.700 -0.024 0.000 2.109 337 N HA -0.067 4.665 4.740 -0.013 0.000 0.188 337 N C 0.842 176.347 175.510 -0.009 0.000 1.034 337 N CA 0.894 53.950 53.050 0.010 0.000 0.846 337 N CB 0.009 38.516 38.487 0.033 0.000 1.010 337 N HN 0.187 nan 8.380 nan 0.000 0.425 338 A N 0.546 123.354 122.820 -0.020 0.000 2.491 338 A HA 0.228 4.540 4.320 -0.013 0.000 0.261 338 A C -1.518 176.061 177.584 -0.009 0.000 1.101 338 A CA -1.047 50.979 52.037 -0.019 0.000 0.772 338 A CB 0.117 19.099 19.000 -0.030 0.000 1.043 338 A HN 0.357 nan 8.150 nan 0.000 0.501 339 P HA -0.135 nan 4.420 nan 0.000 0.220 339 P C 0.880 178.189 177.300 0.015 0.000 1.148 339 P CA 1.295 64.399 63.100 0.006 0.000 0.803 339 P CB 0.064 31.770 31.700 0.009 0.000 0.782 340 N N -0.657 118.051 118.700 0.014 0.000 2.370 340 N HA 0.085 4.817 4.740 -0.013 0.000 0.198 340 N C 0.269 175.795 175.510 0.028 0.000 1.156 340 N CA -0.133 52.932 53.050 0.025 0.000 0.839 340 N CB -0.499 38.002 38.487 0.024 0.000 0.989 340 N HN -0.075 nan 8.380 nan 0.000 0.468 341 A N 0.518 123.350 122.820 0.019 0.000 2.445 341 A HA 0.329 4.641 4.320 -0.013 0.000 0.242 341 A C 0.807 178.425 177.584 0.057 0.000 1.075 341 A CA -0.405 51.649 52.037 0.029 0.000 0.777 341 A CB 0.411 19.417 19.000 0.010 0.000 1.013 341 A HN 0.372 nan 8.150 nan 0.000 0.493 342 L N 1.848 123.126 121.223 0.092 0.000 2.862 342 L HA 0.332 4.664 4.340 -0.013 0.000 0.169 342 L C -0.291 176.656 176.870 0.128 0.000 1.164 342 L CA 0.658 55.578 54.840 0.134 0.000 0.858 342 L CB 0.646 42.831 42.059 0.210 0.000 1.329 342 L HN 0.637 nan 8.230 nan 0.000 0.514 343 V N -0.923 119.101 119.914 0.184 0.000 3.007 343 V HA 0.527 4.639 4.120 -0.013 0.000 0.311 343 V C -1.068 175.147 176.094 0.202 0.000 1.120 343 V CA -0.769 61.644 62.300 0.189 0.000 0.980 343 V CB 1.643 33.645 31.823 0.299 0.000 1.033 343 V HN 0.286 nan 8.190 nan 0.000 0.429 344 Q N 1.348 121.210 119.800 0.104 0.000 2.348 344 Q HA 0.371 4.703 4.340 -0.013 0.000 0.265 344 Q C -0.285 175.658 176.000 -0.095 0.000 0.998 344 Q CA -0.148 55.670 55.803 0.026 0.000 0.831 344 Q CB 1.480 30.187 28.738 -0.052 0.000 1.251 344 Q HN 0.916 nan 8.270 nan 0.000 0.456 345 E N 2.302 122.386 120.200 -0.193 0.000 2.452 345 E HA 0.250 4.592 4.350 -0.013 0.000 0.261 345 E C -0.983 175.367 176.600 -0.417 0.000 0.987 345 E CA 0.239 56.242 56.400 -0.662 0.000 0.926 345 E CB 0.424 29.832 29.700 -0.486 0.000 0.934 345 E HN 0.728 nan 8.360 nan 0.000 0.452 346 S N 1.784 117.227 115.700 -0.429 0.000 2.579 346 S HA 0.534 4.996 4.470 -0.013 0.000 0.272 346 S C -1.130 173.343 174.600 -0.211 0.000 1.141 346 S CA -1.020 57.069 58.200 -0.185 0.000 0.843 346 S CB 1.760 64.956 63.200 -0.006 0.000 1.122 346 S HN 0.232 nan 8.310 nan 0.000 0.468 347 V N 3.147 122.926 119.914 -0.224 0.000 2.407 347 V HA 0.456 4.568 4.120 -0.013 0.000 0.291 347 V C 1.516 177.216 176.094 -0.657 0.000 1.018 347 V CA -0.839 61.184 62.300 -0.461 0.000 0.842 347 V CB 0.916 32.192 31.823 -0.911 0.000 0.996 347 V HN 1.068 nan 8.190 nan 0.000 0.426 348 R N 4.485 124.532 120.500 -0.756 0.000 2.096 348 R HA -0.089 4.243 4.340 -0.013 0.000 0.235 348 R C 1.852 177.633 176.300 -0.864 0.000 1.127 348 R CA 1.628 56.975 56.100 -1.254 0.000 0.968 348 R CB -0.349 29.351 30.300 -1.001 0.000 0.861 348 R HN 0.634 nan 8.270 nan 0.000 0.440 349 A N 0.719 123.299 122.820 -0.401 0.000 2.024 349 A HA -0.094 4.218 4.320 -0.013 0.000 0.220 349 A C 1.620 179.246 177.584 0.071 0.000 1.164 349 A CA 1.007 53.075 52.037 0.052 0.000 0.643 349 A CB -0.477 18.637 19.000 0.189 0.000 0.806 349 A HN 0.346 nan 8.150 nan 0.000 0.451 350 F N -1.125 118.491 119.950 -0.557 0.000 2.147 350 F HA 0.025 4.545 4.527 -0.012 0.000 0.291 350 F C 2.356 177.419 175.800 -1.229 0.000 1.093 350 F CA 0.599 57.974 58.000 -1.041 0.000 1.263 350 F CB -1.414 36.841 39.000 -1.242 0.000 1.036 350 F HN 0.522 nan 8.300 nan 0.000 0.481 351 Y N -0.910 119.082 120.300 -0.514 0.000 2.395 351 Y HA 0.097 4.639 4.550 -0.014 0.000 0.293 351 Y C 1.480 177.335 175.900 -0.074 0.000 1.123 351 Y CA 0.619 58.585 58.100 -0.223 0.000 1.227 351 Y CB -1.361 37.093 38.460 -0.010 0.000 1.012 351 Y HN -0.052 nan 8.280 nan 0.000 0.552 352 D N 0.759 121.105 120.400 -0.091 0.000 2.289 352 D HA 0.073 4.705 4.640 -0.013 0.000 0.207 352 D C 1.763 178.092 176.300 0.048 0.000 0.966 352 D CA 1.121 55.164 54.000 0.071 0.000 0.868 352 D CB -0.103 40.801 40.800 0.173 0.000 0.943 352 D HN 0.517 nan 8.370 nan 0.000 0.514 353 G N 0.520 109.303 108.800 -0.029 0.000 3.199 353 G HA2 -0.018 3.935 3.960 -0.013 0.000 0.184 353 G HA3 -0.018 3.935 3.960 -0.013 0.000 0.184 353 G C 0.987 175.903 174.900 0.028 0.000 1.974 353 G CA 0.018 45.138 45.100 0.034 0.000 0.885 353 G HN 0.276 nan 8.290 nan 0.000 0.575 354 W N -0.004 121.243 121.300 -0.088 0.000 2.937 354 W HA 0.190 4.842 4.660 -0.014 0.000 0.245 354 W C 1.352 177.897 176.519 0.044 0.000 1.306 354 W CA -0.091 57.241 57.345 -0.023 0.000 1.470 354 W CB -0.815 28.604 29.460 -0.069 0.000 1.132 354 W HN 0.472 nan 8.180 nan 0.000 0.675 355 Y N 1.240 121.216 120.300 -0.539 0.000 2.314 355 Y HA -0.066 4.476 4.550 -0.013 0.000 0.293 355 Y C 2.821 178.649 175.900 -0.120 0.000 1.129 355 Y CA 0.531 58.368 58.100 -0.439 0.000 1.201 355 Y CB -0.193 38.020 38.460 -0.412 0.000 0.999 355 Y HN -0.181 nan 8.280 nan 0.000 0.541 356 R N 0.564 121.136 120.500 0.120 0.000 2.120 356 R HA -0.154 4.179 4.340 -0.013 0.000 0.234 356 R C 1.218 177.578 176.300 0.100 0.000 1.123 356 R CA 1.460 57.623 56.100 0.106 0.000 0.975 356 R CB -0.372 29.988 30.300 0.101 0.000 0.866 356 R HN 0.561 nan 8.270 nan 0.000 0.446 357 D N 0.091 120.574 120.400 0.139 0.000 2.277 357 D HA -0.082 4.550 4.640 -0.013 0.000 0.208 357 D C 1.673 178.041 176.300 0.114 0.000 0.962 357 D CA 0.603 54.685 54.000 0.137 0.000 0.865 357 D CB 0.218 41.133 40.800 0.192 0.000 0.939 357 D HN 0.084 nan 8.370 nan 0.000 0.510 358 L N 0.422 121.713 121.223 0.114 0.000 2.249 358 L HA 0.040 4.372 4.340 -0.013 0.000 0.207 358 L C 0.775 177.608 176.870 -0.061 0.000 1.090 358 L CA 0.614 55.505 54.840 0.085 0.000 0.802 358 L CB 0.143 42.313 42.059 0.185 0.000 0.947 358 L HN -0.118 nan 8.230 nan 0.000 0.453 359 V N -5.858 114.021 119.914 -0.059 0.000 3.040 359 V HA 0.434 4.546 4.120 -0.013 0.000 0.312 359 V C 1.148 177.206 176.094 -0.060 0.000 1.115 359 V CA -0.135 62.102 62.300 -0.105 0.000 0.998 359 V CB 0.973 32.711 31.823 -0.142 0.000 1.042 359 V HN 0.166 nan 8.190 nan 0.000 0.433 360 T N -1.086 113.430 114.554 -0.063 0.000 2.915 360 T HA 0.359 4.701 4.350 -0.013 0.000 0.269 360 T C 0.678 175.362 174.700 -0.026 0.000 1.071 360 T CA 1.166 63.243 62.100 -0.037 0.000 1.132 360 T CB -0.119 68.727 68.868 -0.037 0.000 0.878 360 T HN 1.853 nan 8.240 nan 0.000 0.479 361 A N -0.142 122.657 122.820 -0.034 0.000 2.587 361 A HA 0.762 5.074 4.320 -0.013 0.000 0.293 361 A C -1.438 176.122 177.584 -0.039 0.000 1.087 361 A CA -1.005 51.016 52.037 -0.026 0.000 0.692 361 A CB 1.267 20.255 19.000 -0.019 0.000 1.291 361 A HN 0.338 nan 8.150 nan 0.000 0.407 362 L N 0.900 122.103 121.223 -0.034 0.000 2.354 362 L HA 0.512 4.844 4.340 -0.013 0.000 0.264 362 L C -2.384 174.444 176.870 -0.070 0.000 1.008 362 L CA -2.372 52.439 54.840 -0.048 0.000 0.819 362 L CB 2.518 44.574 42.059 -0.006 0.000 1.339 362 L HN 0.433 nan 8.230 nan 0.000 0.420 363 P HA -0.028 nan 4.420 nan 0.000 0.261 363 P C -0.979 176.210 177.300 -0.185 0.000 1.173 363 P CA 0.343 63.355 63.100 -0.147 0.000 0.760 363 P CB 0.255 31.853 31.700 -0.171 0.000 0.783 364 T N 3.063 117.515 114.554 -0.169 0.000 2.749 364 T HA 0.338 4.680 4.350 -0.013 0.000 0.287 364 T C -0.007 174.575 174.700 -0.196 0.000 0.970 364 T CA -0.443 61.564 62.100 -0.156 0.000 0.980 364 T CB 0.599 69.411 68.868 -0.094 0.000 0.924 364 T HN -0.015 nan 8.240 nan 0.000 0.456 365 V N 4.635 124.400 119.914 -0.249 0.000 2.394 365 V HA 0.572 4.684 4.120 -0.013 0.000 0.282 365 V C 0.137 176.179 176.094 -0.087 0.000 1.031 365 V CA -0.548 61.614 62.300 -0.230 0.000 0.881 365 V CB 1.304 32.870 31.823 -0.428 0.000 0.982 365 V HN 0.739 nan 8.190 nan 0.000 0.451 366 K N 3.324 123.698 120.400 -0.043 0.000 2.588 366 K HA 0.336 4.648 4.320 -0.013 0.000 0.250 366 K C -1.076 175.541 176.600 0.027 0.000 0.972 366 K CA -0.521 55.762 56.287 -0.008 0.000 0.821 366 K CB 1.363 33.850 32.500 -0.022 0.000 1.249 366 K HN 0.644 nan 8.250 nan 0.000 0.442 367 D N 2.887 123.307 120.400 0.033 0.000 2.772 367 D HA -0.172 4.460 4.640 -0.013 0.000 0.233 367 D C 0.565 176.950 176.300 0.141 0.000 1.143 367 D CA 2.026 56.061 54.000 0.057 0.000 0.700 367 D CB -1.255 39.559 40.800 0.022 0.000 1.076 367 D HN 1.089 nan 8.370 nan 0.000 0.430 368 G N -0.579 108.267 108.800 0.077 0.000 2.160 368 G HA2 -0.319 3.634 3.960 -0.013 0.000 0.251 368 G HA3 -0.319 3.634 3.960 -0.013 0.000 0.251 368 G C 0.075 174.914 174.900 -0.100 0.000 1.008 368 G CA 0.625 45.730 45.100 0.007 0.000 0.724 368 G HN 0.715 nan 8.290 nan 0.000 0.514 369 H N -1.464 117.563 119.070 -0.071 0.000 2.895 369 H HA 0.691 5.239 4.556 -0.013 0.000 0.373 369 H C -0.557 174.701 175.328 -0.117 0.000 1.174 369 H CA -0.480 55.518 56.048 -0.083 0.000 1.144 369 H CB 2.701 32.419 29.762 -0.072 0.000 1.793 369 H HN 0.252 nan 8.280 nan 0.000 0.551 370 I N 0.912 121.464 120.570 -0.031 0.000 2.686 370 I HA 0.338 4.500 4.170 -0.013 0.000 0.295 370 I C -0.903 175.146 176.117 -0.112 0.000 1.114 370 I CA -0.194 61.034 61.300 -0.120 0.000 1.038 370 I CB 2.405 40.294 38.000 -0.186 0.000 1.238 370 I HN 0.521 nan 8.210 nan 0.000 0.420 371 T N 4.999 119.470 114.554 -0.139 0.000 2.865 371 T HA 0.515 4.857 4.350 -0.013 0.000 0.294 371 T C -0.920 173.674 174.700 -0.176 0.000 1.119 371 T CA -0.427 61.579 62.100 -0.156 0.000 1.007 371 T CB 1.527 70.314 68.868 -0.135 0.000 1.225 371 T HN 0.504 nan 8.240 nan 0.000 0.515 372 V N 2.020 121.803 119.914 -0.217 0.000 2.924 372 V HA 0.567 4.679 4.120 -0.013 0.000 0.305 372 V C -2.240 173.789 176.094 -0.109 0.000 1.073 372 V CA -1.452 60.709 62.300 -0.231 0.000 1.098 372 V CB -0.223 31.333 31.823 -0.446 0.000 1.000 372 V HN 0.749 nan 8.190 nan 0.000 0.484 373 P HA 0.161 nan 4.420 nan 0.000 0.271 373 P C -0.385 176.931 177.300 0.027 0.000 1.218 373 P CA -0.098 62.992 63.100 -0.017 0.000 0.780 373 P CB 0.511 32.206 31.700 -0.009 0.000 0.901 374 D N 0.528 120.943 120.400 0.025 0.000 2.399 374 D HA 0.376 5.008 4.640 -0.013 0.000 0.241 374 D C 0.836 177.160 176.300 0.041 0.000 1.133 374 D CA 1.420 55.446 54.000 0.043 0.000 0.890 374 D CB 0.791 41.606 40.800 0.026 0.000 1.201 374 D HN 0.659 nan 8.370 nan 0.000 0.432 375 G N 1.827 110.650 108.800 0.039 0.000 2.406 375 G HA2 -0.058 3.894 3.960 -0.013 0.000 0.680 375 G HA3 -0.058 3.894 3.960 -0.013 0.000 0.680 375 G C -3.064 171.835 174.900 -0.001 0.000 1.338 375 G CA -1.189 43.919 45.100 0.015 0.000 0.941 375 G HN 0.248 nan 8.290 nan 0.000 0.633 376 P HA 0.428 nan 4.420 nan 0.000 0.268 376 P C 1.330 178.595 177.300 -0.060 0.000 1.208 376 P CA 1.835 64.899 63.100 -0.060 0.000 0.777 376 P CB 0.714 32.386 31.700 -0.047 0.000 0.875 377 G N 1.025 109.763 108.800 -0.104 0.000 2.591 377 G HA2 -0.347 3.605 3.960 -0.013 0.000 0.298 377 G HA3 -0.347 3.605 3.960 -0.013 0.000 0.298 377 G C 0.930 175.709 174.900 -0.203 0.000 1.195 377 G CA 0.409 45.440 45.100 -0.116 0.000 0.989 377 G HN 0.479 nan 8.290 nan 0.000 0.551 378 L N 1.581 122.738 121.223 -0.110 0.000 2.093 378 L HA 0.282 4.614 4.340 -0.013 0.000 0.208 378 L C 2.613 179.571 176.870 0.146 0.000 1.085 378 L CA 1.547 56.367 54.840 -0.032 0.000 0.755 378 L CB -0.676 41.383 42.059 0.000 0.000 0.904 378 L HN 2.117 nan 8.230 nan 0.000 0.435 379 G N 0.342 109.180 108.800 0.063 0.000 2.132 379 G HA2 -0.219 3.734 3.960 -0.013 0.000 0.234 379 G HA3 -0.219 3.734 3.960 -0.013 0.000 0.234 379 G C -0.180 174.736 174.900 0.026 0.000 0.989 379 G CA 0.320 45.459 45.100 0.063 0.000 0.676 379 G HN 0.287 nan 8.290 nan 0.000 0.522 380 L N -4.042 117.183 121.223 0.003 0.000 2.491 380 L HA 1.054 5.386 4.340 -0.013 0.000 0.254 380 L C -0.557 176.284 176.870 -0.048 0.000 1.048 380 L CA -1.862 52.961 54.840 -0.029 0.000 0.855 380 L CB 1.109 43.139 42.059 -0.048 0.000 1.466 380 L HN 0.064 nan 8.230 nan 0.000 0.409 381 E N 0.060 120.218 120.200 -0.071 0.000 2.392 381 E HA 0.675 5.017 4.350 -0.013 0.000 0.269 381 E C -1.011 175.494 176.600 -0.159 0.000 0.924 381 E CA -1.037 55.304 56.400 -0.099 0.000 0.784 381 E CB 2.374 32.032 29.700 -0.069 0.000 1.292 381 E HN 0.612 nan 8.360 nan 0.000 0.447 385 D N 1.097 121.500 120.400 0.006 0.000 2.722 385 D HA 0.135 4.767 4.640 -0.013 0.000 0.239 385 D C 1.119 177.439 176.300 0.032 0.000 1.249 385 D CA -0.419 53.593 54.000 0.021 0.000 0.830 385 D CB 0.437 41.252 40.800 0.025 0.000 1.025 385 D HN 0.136 nan 8.370 nan 0.000 0.486 386 I N 0.591 121.175 120.570 0.023 0.000 2.406 386 I HA -0.040 4.122 4.170 -0.013 0.000 0.249 386 I C 2.036 178.205 176.117 0.087 0.000 1.122 386 I CA 0.924 62.250 61.300 0.043 0.000 1.431 386 I CB 0.187 38.172 38.000 -0.025 0.000 1.087 386 I HN -0.132 nan 8.210 nan 0.000 0.424 387 R N -0.091 120.453 120.500 0.073 0.000 2.276 387 R HA -0.056 4.276 4.340 -0.013 0.000 0.203 387 R C 1.678 178.020 176.300 0.070 0.000 1.017 387 R CA 0.724 56.874 56.100 0.084 0.000 1.010 387 R CB -0.073 30.270 30.300 0.071 0.000 0.900 387 R HN 0.279 nan 8.270 nan 0.000 0.469 388 E N -0.022 120.214 120.200 0.060 0.000 2.190 388 E HA 0.057 4.399 4.350 -0.013 0.000 0.191 388 E C 1.663 178.299 176.600 0.060 0.000 0.978 388 E CA 0.610 57.041 56.400 0.052 0.000 0.839 388 E CB 0.214 29.939 29.700 0.041 0.000 0.787 388 E HN 0.098 nan 8.360 nan 0.000 0.473 389 R N -0.466 120.079 120.500 0.076 0.000 2.093 389 R HA 0.072 4.404 4.340 -0.013 0.000 0.224 389 R C -0.160 176.201 176.300 0.101 0.000 1.101 389 R CA 0.593 56.747 56.100 0.090 0.000 0.979 389 R CB 0.274 30.640 30.300 0.109 0.000 0.877 389 R HN 0.046 nan 8.270 nan 0.000 0.441 390 L N -0.133 121.162 121.223 0.120 0.000 2.319 390 L HA 0.289 4.621 4.340 -0.013 0.000 0.267 390 L C -0.152 176.772 176.870 0.088 0.000 1.011 390 L CA -0.397 54.512 54.840 0.115 0.000 0.818 390 L CB 1.660 43.839 42.059 0.200 0.000 1.316 390 L HN -0.123 nan 8.230 nan 0.000 0.432 391 T N 3.191 117.777 114.554 0.053 0.000 2.776 391 T HA 0.487 4.829 4.350 -0.013 0.000 0.292 391 T C 0.337 175.077 174.700 0.066 0.000 0.921 391 T CA 0.175 62.302 62.100 0.045 0.000 1.038 391 T CB -0.498 68.378 68.868 0.013 0.000 0.910 391 T HN 0.231 nan 8.240 nan 0.000 0.536 392 I N 2.804 123.427 120.570 0.088 0.000 2.382 392 I HA 0.428 4.590 4.170 -0.013 0.000 0.285 392 I C 0.503 176.675 176.117 0.092 0.000 1.007 392 I CA -1.104 60.267 61.300 0.118 0.000 1.142 392 I CB 1.296 39.403 38.000 0.178 0.000 1.289 392 I HN 0.566 nan 8.210 nan 0.000 0.453 393 A N 7.268 130.135 122.820 0.078 0.000 2.410 393 A HA 0.452 4.764 4.320 -0.013 0.000 0.292 393 A C 0.026 177.661 177.584 0.085 0.000 1.232 393 A CA -0.301 51.774 52.037 0.064 0.000 0.893 393 A CB 0.028 19.055 19.000 0.045 0.000 1.131 393 A HN 0.615 nan 8.150 nan 0.000 0.530 394 V N 1.625 121.587 119.914 0.080 0.000 2.716 394 V HA 0.932 5.044 4.120 -0.013 0.000 0.304 394 V C -0.181 175.945 176.094 0.054 0.000 1.053 394 V CA -0.931 61.426 62.300 0.094 0.000 0.984 394 V CB 1.505 33.390 31.823 0.103 0.000 1.021 394 V HN 0.979 nan 8.190 nan 0.000 0.467 395 R N 2.408 122.945 120.500 0.062 0.000 2.668 395 R HA 0.579 4.911 4.340 -0.013 0.000 0.272 395 R C -1.357 174.946 176.300 0.006 0.000 1.019 395 R CA -0.421 55.643 56.100 -0.060 0.000 0.894 395 R CB 2.040 32.223 30.300 -0.195 0.000 1.228 395 R HN 1.040 nan 8.270 nan 0.000 0.460 396 N N 0.493 119.148 118.700 -0.074 0.000 2.260 396 N HA 0.447 5.179 4.740 -0.013 0.000 0.293 396 N C -1.736 173.811 175.510 0.062 0.000 1.058 396 N CA -0.334 52.756 53.050 0.067 0.000 0.824 396 N CB 2.344 40.859 38.487 0.048 0.000 1.551 396 N HN 0.518 nan 8.380 nan 0.000 0.475 397 T N 0.000 114.652 114.554 0.163 0.000 3.816 397 T HA 0.000 4.342 4.350 -0.013 0.000 0.228 397 T CA 0.000 62.181 62.100 0.135 0.000 1.349 397 T CB 0.000 69.009 68.868 0.235 0.000 0.612 397 T HN 0.000 nan 8.240 nan 0.000 0.658