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 1b3u_1_B DATA FIRST_RESID 1 DATA SEQUENCE AAADGDDSLY PIAVLIDELR NEDVQLRLNS IKKLSTIALA LGVERTRSEL DATA SEQUENCE LPFLTDTIYD EDEVLLALAE QLGTFTTLVG GPEYVHCLLP PLESLATVEE DATA SEQUENCE TVVRDKAVES LRAISHEHSP SDLEAHFVPL VKRLAGGDWF TSRTSACGLF DATA SEQUENCE SVCYPRVSSA VKAELRQYFR NLCSDDTPMV RRAAASKLGE FAKVLELDNV DATA SEQUENCE KSEIIPMFSN LASDEQDSVR LLAVEACVNI AQLLPQEDLE ALVMPTLRQA DATA SEQUENCE AEDKSWRVRY MVADKFTELQ KAVGPEITKT DLVPAFQNLM KDCEAEVRAA DATA SEQUENCE ASHKVKEFCE NLSADCRENV IMSQILPCIK ELVSDANQHV KSALASVIMG DATA SEQUENCE LSPILGKDNT IEHLLPLFLA QLKDECPEVR LNIISNLDCV NEVIGIRQLS DATA SEQUENCE QSLLPAIVEL AEDAKWRVRL AIIEYMPLLA GQLGVEFFDE KLNSLCMAWL DATA SEQUENCE VDHVYAIREA ATSNLKKLVE KFGKEWAHAT IIPKVLAMSG DPNYLHRMTT DATA SEQUENCE LFCINVLSEV CGQDITTKHM LPTVLRMAGD PVANVRFNVA KSLQKIGPIL DATA SEQUENCE DNSTLQSEVK PILEKLTQDQ DVDVKYFAQE ALTVLSLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 2 A N 0.224 123.038 122.820 -0.010 0.000 1.908 2 A HA 0.256 4.577 4.320 0.001 0.000 0.218 2 A C 2.032 179.610 177.584 -0.010 0.000 1.181 2 A CA 2.683 54.715 52.037 -0.009 0.000 0.627 2 A CB -1.127 17.869 19.000 -0.007 0.000 0.818 2 A HN 1.970 nan 8.150 nan 0.000 0.445 3 A N -1.000 121.814 122.820 -0.010 0.000 2.236 3 A HA 0.211 4.532 4.320 0.001 0.000 0.214 3 A C 0.252 177.830 177.584 -0.011 0.000 1.287 3 A CA 0.827 52.857 52.037 -0.011 0.000 0.909 3 A CB -0.250 18.743 19.000 -0.011 0.000 0.839 3 A HN 0.404 nan 8.150 nan 0.000 0.486 4 D N -1.728 118.666 120.400 -0.010 0.000 2.881 4 D HA 0.093 4.733 4.640 0.001 0.000 0.325 4 D C 1.319 177.615 176.300 -0.005 0.000 1.621 4 D CA 0.587 54.583 54.000 -0.007 0.000 0.785 4 D CB 0.078 40.874 40.800 -0.007 0.000 1.233 4 D HN 0.297 nan 8.370 nan 0.000 0.447 5 G N 0.984 109.780 108.800 -0.008 0.000 2.434 5 G HA2 -0.218 3.742 3.960 0.001 0.000 0.214 5 G HA3 -0.218 3.742 3.960 0.001 0.000 0.214 5 G C 1.220 176.118 174.900 -0.004 0.000 1.202 5 G CA 0.751 45.847 45.100 -0.006 0.000 0.788 5 G HN 0.119 nan 8.290 nan 0.000 0.539 6 D N 1.055 121.449 120.400 -0.009 0.000 2.178 6 D HA -0.078 4.563 4.640 0.001 0.000 0.202 6 D C 1.735 178.035 176.300 0.001 0.000 0.974 6 D CA 0.962 54.955 54.000 -0.012 0.000 0.841 6 D CB -0.342 40.440 40.800 -0.030 0.000 0.953 6 D HN 0.194 nan 8.370 nan 0.000 0.478 7 D N 0.611 121.013 120.400 0.003 0.000 2.411 7 D HA -0.126 4.515 4.640 0.001 0.000 0.226 7 D C 1.884 178.212 176.300 0.047 0.000 0.988 7 D CA 0.744 54.764 54.000 0.034 0.000 0.938 7 D CB -0.068 40.745 40.800 0.022 0.000 0.883 7 D HN 0.113 nan 8.370 nan 0.000 0.525 8 S N 0.643 116.358 115.700 0.025 0.000 2.068 8 S HA -0.344 4.126 4.470 0.001 0.000 0.498 8 S C 1.057 175.666 174.600 0.015 0.000 0.963 8 S CA 1.552 59.762 58.200 0.016 0.000 3.049 8 S CB -0.661 62.549 63.200 0.016 0.000 2.163 8 S HN 0.425 nan 8.310 nan 0.000 0.541 9 L N -0.886 120.353 121.223 0.026 0.000 3.320 9 L HA 0.391 4.732 4.340 0.001 0.000 0.331 9 L C 1.015 177.883 176.870 -0.003 0.000 1.306 9 L CA -0.182 54.653 54.840 -0.008 0.000 0.892 9 L CB 0.137 42.167 42.059 -0.048 0.000 1.337 9 L HN 0.410 nan 8.230 nan 0.000 0.604 10 Y N 3.676 123.946 120.300 -0.050 0.000 2.114 10 Y HA -0.140 4.411 4.550 0.001 0.000 0.282 10 Y C -0.501 175.368 175.900 -0.052 0.000 1.165 10 Y CA 2.073 60.145 58.100 -0.046 0.000 1.148 10 Y CB -0.983 37.456 38.460 -0.034 0.000 0.972 10 Y HN 0.200 nan 8.280 nan 0.000 0.504 11 P HA -0.197 nan 4.420 nan 0.000 0.219 11 P C 1.742 178.873 177.300 -0.283 0.000 1.146 11 P CA 1.914 64.838 63.100 -0.293 0.000 0.808 11 P CB -0.225 31.415 31.700 -0.100 0.000 0.779 12 I N -0.293 120.133 120.570 -0.240 0.000 2.439 12 I HA -0.158 4.012 4.170 0.001 0.000 0.251 12 I C 2.550 178.484 176.117 -0.305 0.000 1.139 12 I CA 1.056 62.187 61.300 -0.282 0.000 1.438 12 I CB -0.650 37.171 38.000 -0.299 0.000 1.085 12 I HN -0.082 nan 8.210 nan 0.000 0.427 13 A N 0.667 123.316 122.820 -0.285 0.000 1.902 13 A HA -0.151 4.170 4.320 0.001 0.000 0.217 13 A C 2.423 179.857 177.584 -0.250 0.000 1.181 13 A CA 1.612 53.508 52.037 -0.235 0.000 0.623 13 A CB -0.897 17.994 19.000 -0.181 0.000 0.818 13 A HN 0.225 nan 8.150 nan 0.000 0.443 14 V N -0.127 119.562 119.914 -0.376 0.000 2.287 14 V HA -0.261 3.859 4.120 0.001 0.000 0.248 14 V C 2.510 178.510 176.094 -0.156 0.000 1.053 14 V CA 2.056 64.187 62.300 -0.281 0.000 1.027 14 V CB -0.894 30.726 31.823 -0.339 0.000 0.646 14 V HN 0.621 nan 8.190 nan 0.000 0.447 15 L N 0.020 121.149 121.223 -0.158 0.000 2.042 15 L HA -0.176 4.165 4.340 0.001 0.000 0.210 15 L C 2.181 179.030 176.870 -0.034 0.000 1.076 15 L CA 1.942 56.733 54.840 -0.081 0.000 0.749 15 L CB -0.567 41.436 42.059 -0.093 0.000 0.893 15 L HN 0.240 nan 8.230 nan 0.000 0.432 16 I N -0.442 120.076 120.570 -0.086 0.000 2.226 16 I HA -0.281 3.890 4.170 0.001 0.000 0.245 16 I C 2.051 178.186 176.117 0.031 0.000 1.100 16 I CA 1.373 62.675 61.300 0.002 0.000 1.374 16 I CB -0.560 37.404 38.000 -0.060 0.000 1.057 16 I HN 0.326 nan 8.210 nan 0.000 0.413 17 D N 0.885 121.275 120.400 -0.015 0.000 2.097 17 D HA -0.187 4.454 4.640 0.001 0.000 0.197 17 D C 2.014 178.320 176.300 0.011 0.000 0.984 17 D CA 1.433 55.431 54.000 -0.003 0.000 0.826 17 D CB -0.257 40.531 40.800 -0.021 0.000 0.973 17 D HN 0.562 nan 8.370 nan 0.000 0.460 18 E N 0.643 120.847 120.200 0.006 0.000 2.265 18 E HA -0.111 4.240 4.350 0.001 0.000 0.196 18 E C 1.990 178.616 176.600 0.044 0.000 0.996 18 E CA 0.503 56.914 56.400 0.018 0.000 0.832 18 E CB -0.352 29.355 29.700 0.011 0.000 0.756 18 E HN 0.297 nan 8.360 nan 0.000 0.491 19 L N 0.297 121.566 121.223 0.077 0.000 2.558 19 L HA 0.121 4.461 4.340 0.001 0.000 0.225 19 L C 2.289 179.209 176.870 0.083 0.000 1.128 19 L CA 0.185 55.103 54.840 0.130 0.000 0.868 19 L CB -0.032 42.176 42.059 0.249 0.000 1.006 19 L HN 0.061 nan 8.230 nan 0.000 0.454 20 R N -0.553 119.972 120.500 0.042 0.000 2.210 20 R HA 0.024 4.364 4.340 0.001 0.000 0.203 20 R C 0.917 177.207 176.300 -0.018 0.000 1.010 20 R CA -0.218 55.880 56.100 -0.004 0.000 1.008 20 R CB -0.061 30.241 30.300 0.002 0.000 0.923 20 R HN 0.247 nan 8.270 nan 0.000 0.469 21 N N 2.093 120.793 118.700 0.000 0.000 2.294 21 N HA -0.134 4.606 4.740 0.001 0.000 0.248 21 N C 0.320 175.822 175.510 -0.014 0.000 1.242 21 N CA 0.757 53.805 53.050 -0.003 0.000 0.848 21 N CB 0.857 39.348 38.487 0.007 0.000 1.084 21 N HN 0.209 nan 8.380 nan 0.000 0.457 22 E N 0.657 120.848 120.200 -0.015 0.000 2.170 22 E HA -0.112 4.238 4.350 0.001 0.000 0.191 22 E C -0.344 176.249 176.600 -0.012 0.000 0.981 22 E CA 0.371 56.759 56.400 -0.021 0.000 0.830 22 E CB 0.065 29.753 29.700 -0.019 0.000 0.775 22 E HN 0.582 nan 8.360 nan 0.000 0.470 23 D N 0.496 120.893 120.400 -0.004 0.000 2.342 23 D HA -0.025 4.615 4.640 0.001 0.000 0.260 23 D C 0.990 177.293 176.300 0.006 0.000 1.278 23 D CA -0.034 53.966 54.000 0.001 0.000 0.910 23 D CB 1.135 41.937 40.800 0.004 0.000 1.079 23 D HN -0.233 nan 8.370 nan 0.000 0.496 24 V N 3.577 123.495 119.914 0.005 0.000 2.324 24 V HA -0.293 3.827 4.120 0.001 0.000 0.250 24 V C 2.342 178.445 176.094 0.016 0.000 1.060 24 V CA 1.883 64.191 62.300 0.012 0.000 1.042 24 V CB -0.766 31.063 31.823 0.010 0.000 0.650 24 V HN 0.594 nan 8.190 nan 0.000 0.450 25 Q N -0.414 119.394 119.800 0.013 0.000 2.170 25 Q HA -0.181 4.160 4.340 0.001 0.000 0.203 25 Q C 1.843 177.853 176.000 0.017 0.000 0.976 25 Q CA 1.703 57.515 55.803 0.015 0.000 0.858 25 Q CB -0.410 28.335 28.738 0.012 0.000 0.907 25 Q HN 0.515 nan 8.270 nan 0.000 0.433 26 L N -0.339 120.893 121.223 0.016 0.000 2.072 26 L HA 0.004 4.345 4.340 0.001 0.000 0.205 26 L C 2.218 179.102 176.870 0.024 0.000 1.079 26 L CA 1.556 56.406 54.840 0.017 0.000 0.752 26 L CB -0.450 41.618 42.059 0.014 0.000 0.906 26 L HN 0.103 nan 8.230 nan 0.000 0.436 27 R N -1.004 119.513 120.500 0.028 0.000 2.105 27 R HA -0.194 4.146 4.340 0.001 0.000 0.239 27 R C 2.275 178.599 176.300 0.039 0.000 1.135 27 R CA 1.529 57.653 56.100 0.041 0.000 0.967 27 R CB -0.538 29.792 30.300 0.050 0.000 0.861 27 R HN 0.305 nan 8.270 nan 0.000 0.442 28 L N 0.853 122.094 121.223 0.031 0.000 1.994 28 L HA -0.241 4.100 4.340 0.001 0.000 0.208 28 L C 1.577 178.463 176.870 0.027 0.000 1.071 28 L CA 1.529 56.385 54.840 0.027 0.000 0.745 28 L CB -0.304 41.768 42.059 0.022 0.000 0.892 28 L HN 0.305 nan 8.230 nan 0.000 0.431 29 N N -0.606 118.109 118.700 0.025 0.000 2.149 29 N HA -0.214 4.526 4.740 0.001 0.000 0.188 29 N C 1.961 177.489 175.510 0.029 0.000 1.019 29 N CA 1.561 54.626 53.050 0.025 0.000 0.857 29 N CB -0.318 38.182 38.487 0.022 0.000 0.997 29 N HN 0.354 nan 8.380 nan 0.000 0.426 30 S N 1.000 116.718 115.700 0.031 0.000 2.359 30 S HA -0.065 4.405 4.470 0.001 0.000 0.224 30 S C 1.962 176.586 174.600 0.041 0.000 1.035 30 S CA 0.620 58.840 58.200 0.033 0.000 1.018 30 S CB -0.090 63.132 63.200 0.036 0.000 0.876 30 S HN 0.098 nan 8.310 nan 0.000 0.448 31 I N 1.800 122.394 120.570 0.040 0.000 2.163 31 I HA -0.138 4.033 4.170 0.001 0.000 0.243 31 I C 2.299 178.443 176.117 0.044 0.000 1.085 31 I CA 1.532 62.854 61.300 0.036 0.000 1.347 31 I CB -1.235 36.775 38.000 0.017 0.000 1.044 31 I HN 0.396 nan 8.210 nan 0.000 0.408 32 K N 0.655 121.080 120.400 0.041 0.000 2.442 32 K HA -0.156 4.164 4.320 0.001 0.000 0.199 32 K C 1.199 177.837 176.600 0.063 0.000 1.044 32 K CA 0.949 57.265 56.287 0.048 0.000 0.941 32 K CB -0.036 32.487 32.500 0.037 0.000 0.759 32 K HN 0.358 nan 8.250 nan 0.000 0.472 33 K N 0.222 120.659 120.400 0.063 0.000 2.478 33 K HA 0.077 4.397 4.320 0.001 0.000 0.205 33 K C 0.904 177.559 176.600 0.091 0.000 1.033 33 K CA -0.194 56.131 56.287 0.065 0.000 1.091 33 K CB 0.442 32.966 32.500 0.041 0.000 0.844 33 K HN -0.068 nan 8.250 nan 0.000 0.507 34 L N 1.821 123.124 121.223 0.133 0.000 2.137 34 L HA -0.273 4.067 4.340 0.001 0.000 0.213 34 L C 2.074 179.109 176.870 0.275 0.000 1.085 34 L CA 2.064 57.025 54.840 0.202 0.000 0.760 34 L CB -0.673 41.513 42.059 0.212 0.000 0.893 34 L HN 0.257 nan 8.230 nan 0.000 0.434 35 S N -2.816 113.026 115.700 0.237 0.000 2.387 35 S HA -0.246 4.224 4.470 0.001 0.000 0.230 35 S C 1.889 176.464 174.600 -0.042 0.000 1.035 35 S CA 1.716 59.911 58.200 -0.008 0.000 1.014 35 S CB -1.303 61.867 63.200 -0.050 0.000 0.836 35 S HN 0.551 nan 8.310 nan 0.000 0.466 36 T N 2.758 117.317 114.554 0.008 0.000 2.684 36 T HA -0.019 4.331 4.350 0.001 0.000 0.267 36 T C 1.670 176.362 174.700 -0.012 0.000 1.036 36 T CA 1.679 63.775 62.100 -0.007 0.000 1.148 36 T CB -0.547 68.324 68.868 0.006 0.000 0.863 36 T HN 0.349 nan 8.240 nan 0.000 0.436 37 I N 1.877 122.452 120.570 0.007 0.000 2.142 37 I HA -0.120 4.050 4.170 0.001 0.000 0.240 37 I C 2.793 178.903 176.117 -0.012 0.000 1.078 37 I CA 1.218 62.514 61.300 -0.007 0.000 1.343 37 I CB -1.048 36.955 38.000 0.005 0.000 1.046 37 I HN 0.174 nan 8.210 nan 0.000 0.405 38 A N 0.024 122.844 122.820 0.001 0.000 1.908 38 A HA -0.210 4.111 4.320 0.001 0.000 0.218 38 A C 2.282 179.815 177.584 -0.085 0.000 1.181 38 A CA 1.742 53.753 52.037 -0.043 0.000 0.627 38 A CB -1.021 17.903 19.000 -0.127 0.000 0.818 38 A HN 0.388 nan 8.150 nan 0.000 0.445 39 L N -0.431 120.734 121.223 -0.097 0.000 2.083 39 L HA -0.038 4.302 4.340 0.001 0.000 0.209 39 L C 2.681 179.522 176.870 -0.049 0.000 1.083 39 L CA 2.030 56.821 54.840 -0.083 0.000 0.752 39 L CB -0.772 41.240 42.059 -0.078 0.000 0.899 39 L HN 0.353 nan 8.230 nan 0.000 0.433 40 A N -0.986 121.815 122.820 -0.032 0.000 1.969 40 A HA 0.033 4.353 4.320 0.001 0.000 0.218 40 A C 1.275 178.851 177.584 -0.013 0.000 1.169 40 A CA 0.615 52.645 52.037 -0.012 0.000 0.635 40 A CB -0.601 18.400 19.000 0.002 0.000 0.810 40 A HN 0.351 nan 8.150 nan 0.000 0.445 41 L N -0.712 120.495 121.223 -0.026 0.000 2.421 41 L HA 0.498 4.839 4.340 0.001 0.000 0.263 41 L C 1.166 178.012 176.870 -0.040 0.000 1.122 41 L CA -0.555 54.268 54.840 -0.028 0.000 0.804 41 L CB 0.772 42.811 42.059 -0.032 0.000 1.150 41 L HN 0.285 nan 8.230 nan 0.000 0.457 42 G N -0.156 108.619 108.800 -0.042 0.000 2.599 42 G HA2 0.323 4.283 3.960 0.001 0.000 0.264 42 G HA3 0.323 4.283 3.960 0.001 0.000 0.264 42 G C 1.094 175.950 174.900 -0.073 0.000 1.200 42 G CA -0.097 44.971 45.100 -0.054 0.000 0.896 42 G HN 0.606 nan 8.290 nan 0.000 0.536 43 V N -1.047 118.812 119.914 -0.092 0.000 2.490 43 V HA -0.174 3.947 4.120 0.001 0.000 0.250 43 V C 2.357 178.357 176.094 -0.157 0.000 1.061 43 V CA 2.439 64.665 62.300 -0.123 0.000 1.064 43 V CB -1.052 30.686 31.823 -0.142 0.000 0.670 43 V HN 0.912 nan 8.190 nan 0.000 0.461 44 E N 1.366 121.476 120.200 -0.150 0.000 2.051 44 E HA -0.261 4.089 4.350 0.001 0.000 0.192 44 E C 2.321 178.858 176.600 -0.106 0.000 0.991 44 E CA 1.525 57.832 56.400 -0.155 0.000 0.799 44 E CB -0.488 29.145 29.700 -0.113 0.000 0.748 44 E HN 0.548 nan 8.360 nan 0.000 0.449 45 R N 0.258 120.714 120.500 -0.074 0.000 2.148 45 R HA 0.019 4.359 4.340 0.001 0.000 0.223 45 R C 2.265 178.539 176.300 -0.043 0.000 1.088 45 R CA 1.444 57.513 56.100 -0.052 0.000 0.985 45 R CB -0.169 30.107 30.300 -0.040 0.000 0.880 45 R HN 0.233 nan 8.270 nan 0.000 0.451 46 T N 0.692 115.218 114.554 -0.048 0.000 2.821 46 T HA -0.083 4.268 4.350 0.001 0.000 0.267 46 T C 1.767 176.459 174.700 -0.014 0.000 1.046 46 T CA 1.123 63.214 62.100 -0.016 0.000 1.139 46 T CB 0.000 68.858 68.868 -0.017 0.000 0.871 46 T HN 0.286 nan 8.240 nan 0.000 0.454 47 R N 1.107 121.571 120.500 -0.059 0.000 2.062 47 R HA -0.003 4.338 4.340 0.001 0.000 0.229 47 R C 2.892 179.163 176.300 -0.047 0.000 1.128 47 R CA 1.673 57.731 56.100 -0.069 0.000 0.960 47 R CB -0.341 29.874 30.300 -0.142 0.000 0.855 47 R HN 0.448 nan 8.270 nan 0.000 0.432 48 S N -0.026 115.646 115.700 -0.047 0.000 2.501 48 S HA 0.065 4.536 4.470 0.001 0.000 0.220 48 S C 1.417 176.011 174.600 -0.010 0.000 0.997 48 S CA 0.360 58.544 58.200 -0.027 0.000 0.919 48 S CB 0.351 63.534 63.200 -0.029 0.000 0.778 48 S HN 0.153 nan 8.310 nan 0.000 0.523 49 E N 0.477 120.672 120.200 -0.009 0.000 2.357 49 E HA 0.291 4.642 4.350 0.001 0.000 0.202 49 E C 1.725 178.338 176.600 0.023 0.000 0.855 49 E CA 0.189 56.588 56.400 -0.001 0.000 1.048 49 E CB -0.639 29.046 29.700 -0.025 0.000 1.037 49 E HN 0.399 nan 8.360 nan 0.000 0.499 50 L N 1.453 122.689 121.223 0.022 0.000 2.023 50 L HA 0.012 4.353 4.340 0.001 0.000 0.205 50 L C 2.228 179.173 176.870 0.125 0.000 1.073 50 L CA 1.370 56.249 54.840 0.066 0.000 0.745 50 L CB -0.597 41.498 42.059 0.061 0.000 0.900 50 L HN 0.022 nan 8.230 nan 0.000 0.435 51 L N -0.273 120.990 121.223 0.068 0.000 2.012 51 L HA -0.162 4.178 4.340 0.001 0.000 0.210 51 L C -0.129 176.754 176.870 0.021 0.000 1.073 51 L CA 1.367 56.227 54.840 0.033 0.000 0.748 51 L CB -2.241 39.819 42.059 0.001 0.000 0.891 51 L HN 0.255 nan 8.230 nan 0.000 0.431 52 P HA -0.219 nan 4.420 nan 0.000 0.216 52 P C 1.594 178.911 177.300 0.028 0.000 1.150 52 P CA 1.349 64.458 63.100 0.016 0.000 0.837 52 P CB -0.076 31.640 31.700 0.027 0.000 0.786 53 F N 0.227 120.140 119.950 -0.062 0.000 2.186 53 F HA -0.103 4.424 4.527 0.001 0.000 0.299 53 F C 1.718 177.455 175.800 -0.104 0.000 1.090 53 F CA 1.403 59.359 58.000 -0.073 0.000 1.307 53 F CB -0.726 38.238 39.000 -0.060 0.000 1.019 53 F HN -0.250 nan 8.300 nan 0.000 0.489 54 L N -0.591 120.579 121.223 -0.090 0.000 2.395 54 L HA -0.074 4.266 4.340 0.001 0.000 0.218 54 L C 1.957 178.686 176.870 -0.236 0.000 1.130 54 L CA 1.033 55.742 54.840 -0.217 0.000 0.826 54 L CB -0.830 41.185 42.059 -0.073 0.000 0.941 54 L HN 0.125 nan 8.230 nan 0.000 0.451 55 T N -0.646 113.801 114.554 -0.178 0.000 2.978 55 T HA -0.059 4.291 4.350 0.001 0.000 0.262 55 T C 0.915 175.505 174.700 -0.184 0.000 1.063 55 T CA 1.416 63.423 62.100 -0.155 0.000 1.140 55 T CB -0.025 68.782 68.868 -0.101 0.000 0.886 55 T HN 0.538 nan 8.240 nan 0.000 0.470 56 D N -0.862 119.406 120.400 -0.221 0.000 2.516 56 D HA 0.062 4.703 4.640 0.001 0.000 0.241 56 D C 0.506 176.641 176.300 -0.275 0.000 1.246 56 D CA -0.044 53.830 54.000 -0.210 0.000 0.808 56 D CB -0.331 40.387 40.800 -0.136 0.000 1.147 56 D HN 0.088 nan 8.370 nan 0.000 0.527 57 T N 0.853 115.141 114.554 -0.444 0.000 3.275 57 T HA 0.328 4.678 4.350 0.001 0.000 0.265 57 T C -0.097 174.094 174.700 -0.849 0.000 0.978 57 T CA -0.258 61.508 62.100 -0.558 0.000 0.923 57 T CB 0.182 68.676 68.868 -0.624 0.000 1.126 57 T HN 0.098 nan 8.240 nan 0.000 0.538 58 I N 2.804 122.945 120.570 -0.714 0.000 2.411 58 I HA 0.316 4.487 4.170 0.001 0.000 0.284 58 I C 0.214 175.962 176.117 -0.615 0.000 1.012 58 I CA -1.207 59.572 61.300 -0.868 0.000 1.119 58 I CB 0.827 38.475 38.000 -0.586 0.000 1.261 58 I HN 0.201 nan 8.210 nan 0.000 0.448 59 Y N 3.844 124.064 120.300 -0.133 0.000 2.618 59 Y HA 0.340 4.891 4.550 0.001 0.000 0.236 59 Y C 1.042 176.896 175.900 -0.077 0.000 0.993 59 Y CA -0.481 57.562 58.100 -0.094 0.000 1.043 59 Y CB -1.040 37.376 38.460 -0.072 0.000 1.041 59 Y HN 0.489 nan 8.280 nan 0.000 0.468 60 D N 0.329 121.073 120.400 0.572 0.000 7.519 60 D HA -0.183 4.457 4.640 0.001 0.000 0.308 60 D C -0.440 175.919 176.300 0.098 0.000 2.550 60 D CA 1.319 55.485 54.000 0.277 0.000 1.610 60 D CB 0.336 41.293 40.800 0.262 0.000 1.103 60 D HN 0.520 nan 8.370 nan 0.000 1.127 61 E N 0.897 121.134 120.200 0.063 0.000 2.374 61 E HA 0.048 4.398 4.350 0.001 0.000 0.260 61 E C 0.902 177.511 176.600 0.016 0.000 1.101 61 E CA -0.334 56.084 56.400 0.029 0.000 0.907 61 E CB 0.372 30.085 29.700 0.022 0.000 1.014 61 E HN 0.296 nan 8.360 nan 0.000 0.427 62 D N 1.529 121.933 120.400 0.007 0.000 2.158 62 D HA -0.187 4.454 4.640 0.001 0.000 0.197 62 D C 1.287 177.588 176.300 0.001 0.000 0.995 62 D CA 1.227 55.227 54.000 -0.001 0.000 0.846 62 D CB 0.159 40.960 40.800 0.001 0.000 0.941 62 D HN 0.497 nan 8.370 nan 0.000 0.456 63 E N 0.414 120.618 120.200 0.007 0.000 2.153 63 E HA -0.095 4.256 4.350 0.001 0.000 0.194 63 E C 2.312 178.916 176.600 0.007 0.000 0.988 63 E CA 0.561 56.966 56.400 0.008 0.000 0.811 63 E CB 0.118 29.825 29.700 0.012 0.000 0.746 63 E HN 0.207 nan 8.360 nan 0.000 0.466 64 V N 1.701 121.620 119.914 0.009 0.000 2.346 64 V HA -0.181 3.939 4.120 0.001 0.000 0.244 64 V C 2.401 178.487 176.094 -0.014 0.000 1.037 64 V CA 1.054 63.358 62.300 0.008 0.000 1.029 64 V CB -0.461 31.379 31.823 0.028 0.000 0.663 64 V HN 0.201 nan 8.190 nan 0.000 0.454 65 L N -0.379 120.830 121.223 -0.022 0.000 2.081 65 L HA -0.225 4.115 4.340 0.001 0.000 0.212 65 L C 2.511 179.356 176.870 -0.042 0.000 1.080 65 L CA 1.290 56.102 54.840 -0.047 0.000 0.754 65 L CB -0.740 41.290 42.059 -0.049 0.000 0.893 65 L HN 0.346 nan 8.230 nan 0.000 0.433 66 L N 0.454 121.663 121.223 -0.024 0.000 2.017 66 L HA -0.164 4.177 4.340 0.001 0.000 0.208 66 L C 2.674 179.533 176.870 -0.019 0.000 1.073 66 L CA 2.125 56.955 54.840 -0.017 0.000 0.745 66 L CB -0.781 41.276 42.059 -0.004 0.000 0.894 66 L HN 0.149 nan 8.230 nan 0.000 0.432 67 A N -0.895 121.916 122.820 -0.015 0.000 1.933 67 A HA -0.187 4.133 4.320 0.001 0.000 0.218 67 A C 2.233 179.794 177.584 -0.037 0.000 1.175 67 A CA 1.814 53.843 52.037 -0.013 0.000 0.628 67 A CB -0.952 18.047 19.000 -0.002 0.000 0.814 67 A HN 0.499 nan 8.150 nan 0.000 0.444 68 L N -0.325 120.863 121.223 -0.058 0.000 2.056 68 L HA -0.014 4.326 4.340 0.001 0.000 0.207 68 L C 2.642 179.437 176.870 -0.125 0.000 1.078 68 L CA 2.061 56.838 54.840 -0.105 0.000 0.749 68 L CB -0.777 41.215 42.059 -0.111 0.000 0.901 68 L HN 0.329 nan 8.230 nan 0.000 0.433 69 A N -0.651 122.118 122.820 -0.086 0.000 1.883 69 A HA -0.291 4.029 4.320 0.001 0.000 0.217 69 A C 2.336 179.886 177.584 -0.057 0.000 1.186 69 A CA 1.898 53.892 52.037 -0.072 0.000 0.624 69 A CB -0.846 18.128 19.000 -0.044 0.000 0.822 69 A HN 0.621 nan 8.150 nan 0.000 0.444 70 E N -1.023 119.156 120.200 -0.034 0.000 2.085 70 E HA -0.313 4.038 4.350 0.001 0.000 0.194 70 E C 2.194 178.789 176.600 -0.008 0.000 0.994 70 E CA 1.641 58.037 56.400 -0.006 0.000 0.801 70 E CB -0.137 29.568 29.700 0.008 0.000 0.743 70 E HN 0.583 nan 8.360 nan 0.000 0.453 71 Q N 0.520 120.290 119.800 -0.051 0.000 2.084 71 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 71 Q C 2.218 178.084 176.000 -0.224 0.000 0.978 71 Q CA 1.323 57.086 55.803 -0.067 0.000 0.844 71 Q CB -0.198 28.465 28.738 -0.125 0.000 0.898 71 Q HN 0.383 nan 8.270 nan 0.000 0.426 72 L N -0.976 120.043 121.223 -0.341 0.000 2.127 72 L HA -0.125 4.215 4.340 0.001 0.000 0.211 72 L C 2.128 178.969 176.870 -0.048 0.000 1.089 72 L CA 1.117 55.747 54.840 -0.350 0.000 0.757 72 L CB -0.762 41.154 42.059 -0.239 0.000 0.899 72 L HN 0.377 nan 8.230 nan 0.000 0.434 73 G N -0.967 107.839 108.800 0.010 0.000 2.559 73 G HA2 -0.199 3.762 3.960 0.001 0.000 0.216 73 G HA3 -0.199 3.762 3.960 0.001 0.000 0.216 73 G C 1.425 176.405 174.900 0.135 0.000 1.126 73 G CA 1.134 46.282 45.100 0.079 0.000 0.778 73 G HN 0.469 nan 8.290 nan 0.000 0.543 74 T N -3.539 111.133 114.554 0.196 0.000 3.129 74 T HA 0.299 4.649 4.350 0.001 0.000 0.267 74 T C 1.146 176.036 174.700 0.318 0.000 1.018 74 T CA -0.468 61.766 62.100 0.224 0.000 0.903 74 T CB -0.214 68.772 68.868 0.197 0.000 1.067 74 T HN -0.031 nan 8.240 nan 0.000 0.549 75 F N 2.245 122.210 119.950 0.025 0.000 2.797 75 F HA 0.279 4.807 4.527 0.001 0.000 0.302 75 F C 2.199 178.009 175.800 0.017 0.000 1.130 75 F CA -0.729 57.281 58.000 0.017 0.000 1.387 75 F CB -0.677 38.329 39.000 0.010 0.000 1.107 75 F HN 0.183 nan 8.300 nan 0.000 0.577 76 T N -0.978 113.669 114.554 0.155 0.000 2.597 76 T HA -0.318 4.033 4.350 0.001 0.000 0.267 76 T C 2.319 177.044 174.700 0.043 0.000 1.053 76 T CA 2.453 64.608 62.100 0.091 0.000 1.165 76 T CB -0.582 68.333 68.868 0.079 0.000 0.863 76 T HN 0.319 nan 8.240 nan 0.000 0.427 77 T N 1.266 115.824 114.554 0.007 0.000 2.777 77 T HA 0.033 4.383 4.350 0.001 0.000 0.266 77 T C 1.926 176.587 174.700 -0.065 0.000 1.040 77 T CA 0.793 62.881 62.100 -0.020 0.000 1.141 77 T CB -0.535 68.314 68.868 -0.030 0.000 0.868 77 T HN 0.296 nan 8.240 nan 0.000 0.444 78 L N 0.703 121.837 121.223 -0.149 0.000 2.450 78 L HA 0.041 4.381 4.340 0.001 0.000 0.224 78 L C 2.314 179.100 176.870 -0.139 0.000 1.149 78 L CA 0.501 55.198 54.840 -0.238 0.000 0.816 78 L CB -0.212 41.496 42.059 -0.586 0.000 0.932 78 L HN 0.217 nan 8.230 nan 0.000 0.449 79 V N -1.002 118.882 119.914 -0.050 0.000 3.621 79 V HA 0.295 4.416 4.120 0.001 0.000 0.285 79 V C 1.241 177.313 176.094 -0.037 0.000 1.346 79 V CA 0.925 63.213 62.300 -0.020 0.000 1.104 79 V CB 0.549 32.404 31.823 0.053 0.000 0.913 79 V HN 0.606 nan 8.190 nan 0.000 0.432 80 G N -0.800 108.001 108.800 0.003 0.000 2.148 80 G HA2 0.224 4.185 3.960 0.001 0.000 0.157 80 G HA3 0.224 4.185 3.960 0.001 0.000 0.157 80 G C 0.828 175.842 174.900 0.190 0.000 1.012 80 G CA 0.036 45.176 45.100 0.067 0.000 0.677 80 G HN 1.757 nan 8.290 nan 0.000 0.506 81 G N -0.797 108.071 108.800 0.112 0.000 2.796 81 G HA2 0.136 4.097 3.960 0.001 0.000 0.571 81 G HA3 0.136 4.097 3.960 0.001 0.000 0.571 81 G C -0.898 174.048 174.900 0.077 0.000 1.370 81 G CA 0.139 45.291 45.100 0.087 0.000 0.856 81 G HN 0.549 nan 8.290 nan 0.000 0.538 82 P HA -0.092 nan 4.420 nan 0.000 0.218 82 P C 1.504 178.766 177.300 -0.064 0.000 1.146 82 P CA 1.857 64.941 63.100 -0.027 0.000 0.820 82 P CB 0.053 31.741 31.700 -0.021 0.000 0.778 83 E N -1.615 118.533 120.200 -0.087 0.000 2.204 83 E HA -0.193 4.157 4.350 0.001 0.000 0.195 83 E C 0.562 176.927 176.600 -0.392 0.000 0.990 83 E CA 1.032 57.267 56.400 -0.275 0.000 0.821 83 E CB -0.192 29.267 29.700 -0.402 0.000 0.750 83 E HN 0.330 nan 8.360 nan 0.000 0.477 84 Y N -1.537 118.794 120.300 0.051 0.000 2.588 84 Y HA 0.180 4.730 4.550 0.001 0.000 0.247 84 Y C 1.474 177.349 175.900 -0.042 0.000 1.157 84 Y CA -0.313 57.814 58.100 0.044 0.000 1.215 84 Y CB 0.945 39.397 38.460 -0.015 0.000 1.245 84 Y HN -0.090 nan 8.280 nan 0.000 0.534 85 V N 1.060 121.007 119.914 0.055 0.000 2.688 85 V HA -0.327 3.793 4.120 0.001 0.000 0.256 85 V C 2.544 178.595 176.094 -0.072 0.000 1.084 85 V CA 2.314 64.587 62.300 -0.045 0.000 1.103 85 V CB -0.831 30.896 31.823 -0.160 0.000 0.688 85 V HN 0.655 nan 8.190 nan 0.000 0.480 86 H N -1.351 117.616 119.070 -0.172 0.000 2.545 86 H HA -0.102 4.455 4.556 0.001 0.000 0.282 86 H C 2.079 177.380 175.328 -0.045 0.000 1.020 86 H CA 1.418 57.432 56.048 -0.055 0.000 1.243 86 H CB -0.977 28.655 29.762 -0.217 0.000 1.377 86 H HN 0.484 nan 8.280 nan 0.000 0.581 87 C N 1.059 120.034 119.300 -0.542 0.000 2.449 87 C HA 0.049 4.510 4.460 0.001 0.000 0.283 87 C C 2.762 177.668 174.990 -0.140 0.000 1.453 87 C CA 0.241 59.029 59.018 -0.384 0.000 1.779 87 C CB -1.148 26.433 27.740 -0.266 0.000 1.779 87 C HN 0.504 nan 8.230 nan 0.000 0.546 88 L N -0.240 120.952 121.223 -0.052 0.000 2.558 88 L HA 0.057 4.397 4.340 0.001 0.000 0.225 88 L C 2.187 179.064 176.870 0.012 0.000 1.128 88 L CA 0.399 55.240 54.840 0.002 0.000 0.868 88 L CB -0.343 41.751 42.059 0.057 0.000 1.006 88 L HN 0.378 nan 8.230 nan 0.000 0.454 89 L N 0.131 121.371 121.223 0.029 0.000 2.056 89 L HA -0.121 4.220 4.340 0.001 0.000 0.207 89 L C -0.126 176.726 176.870 -0.030 0.000 1.078 89 L CA 1.373 56.228 54.840 0.025 0.000 0.749 89 L CB -1.799 40.296 42.059 0.061 0.000 0.901 89 L HN 0.215 nan 8.230 nan 0.000 0.433 90 P HA -0.135 nan 4.420 nan 0.000 0.214 90 P C -1.336 175.922 177.300 -0.070 0.000 1.163 90 P CA 1.643 64.710 63.100 -0.055 0.000 0.883 90 P CB -1.115 30.552 31.700 -0.054 0.000 0.788 91 P HA -0.101 nan 4.420 nan 0.000 0.218 91 P C 1.597 178.841 177.300 -0.093 0.000 1.149 91 P CA 1.383 64.427 63.100 -0.095 0.000 0.817 91 P CB -0.357 31.282 31.700 -0.101 0.000 0.785 92 L N -0.297 120.883 121.223 -0.072 0.000 2.156 92 L HA -0.061 4.280 4.340 0.001 0.000 0.208 92 L C 2.882 179.711 176.870 -0.070 0.000 1.095 92 L CA 1.117 55.919 54.840 -0.063 0.000 0.770 92 L CB -0.796 41.245 42.059 -0.030 0.000 0.914 92 L HN 0.008 nan 8.230 nan 0.000 0.439 93 E N -0.299 119.855 120.200 -0.076 0.000 2.077 93 E HA -0.252 4.098 4.350 0.001 0.000 0.193 93 E C 2.322 178.870 176.600 -0.086 0.000 0.989 93 E CA 1.464 57.812 56.400 -0.086 0.000 0.800 93 E CB 0.072 29.721 29.700 -0.085 0.000 0.746 93 E HN 0.300 nan 8.360 nan 0.000 0.452 94 S N 0.222 115.866 115.700 -0.093 0.000 2.353 94 S HA -0.136 4.335 4.470 0.001 0.000 0.222 94 S C 2.021 176.557 174.600 -0.107 0.000 1.035 94 S CA 1.146 59.282 58.200 -0.108 0.000 1.025 94 S CB -0.315 62.812 63.200 -0.122 0.000 0.902 94 S HN 0.333 nan 8.310 nan 0.000 0.440 95 L N 1.009 122.171 121.223 -0.101 0.000 2.265 95 L HA -0.042 4.298 4.340 0.001 0.000 0.215 95 L C 2.505 179.331 176.870 -0.073 0.000 1.117 95 L CA 0.961 55.747 54.840 -0.090 0.000 0.782 95 L CB -0.461 41.547 42.059 -0.085 0.000 0.914 95 L HN 0.421 nan 8.230 nan 0.000 0.441 96 A N -1.493 121.285 122.820 -0.070 0.000 2.238 96 A HA 0.002 4.322 4.320 0.001 0.000 0.208 96 A C 1.897 179.442 177.584 -0.064 0.000 1.177 96 A CA 1.012 53.015 52.037 -0.057 0.000 0.804 96 A CB -0.307 18.660 19.000 -0.055 0.000 0.823 96 A HN 0.312 nan 8.150 nan 0.000 0.482 97 T N -0.740 113.765 114.554 -0.083 0.000 3.010 97 T HA 0.221 4.572 4.350 0.001 0.000 0.257 97 T C 0.612 175.239 174.700 -0.121 0.000 1.020 97 T CA -0.143 61.900 62.100 -0.096 0.000 0.938 97 T CB 0.069 68.871 68.868 -0.110 0.000 1.049 97 T HN 0.056 nan 8.240 nan 0.000 0.522 98 V N 2.405 122.254 119.914 -0.107 0.000 3.484 98 V HA -0.003 4.117 4.120 0.001 0.000 0.304 98 V C 1.951 177.997 176.094 -0.079 0.000 1.116 98 V CA 0.549 62.787 62.300 -0.103 0.000 1.187 98 V CB 0.743 32.518 31.823 -0.080 0.000 1.062 98 V HN 0.294 nan 8.190 nan 0.000 0.489 99 E N 1.068 121.231 120.200 -0.060 0.000 2.107 99 E HA -0.097 4.254 4.350 0.001 0.000 0.191 99 E C 0.972 177.570 176.600 -0.004 0.000 0.982 99 E CA 0.639 57.029 56.400 -0.017 0.000 0.809 99 E CB -0.068 29.635 29.700 0.005 0.000 0.756 99 E HN 0.666 nan 8.360 nan 0.000 0.459 100 E N -0.263 119.931 120.200 -0.009 0.000 2.299 100 E HA 0.008 4.358 4.350 0.001 0.000 0.272 100 E C 0.740 177.340 176.600 0.000 0.000 1.043 100 E CA 0.407 56.809 56.400 0.002 0.000 0.895 100 E CB 0.869 30.569 29.700 0.001 0.000 1.011 100 E HN 0.062 nan 8.360 nan 0.000 0.432 101 T N 2.715 117.277 114.554 0.014 0.000 2.720 101 T HA -0.198 4.152 4.350 0.001 0.000 0.268 101 T C 1.684 176.393 174.700 0.016 0.000 1.037 101 T CA 2.162 64.272 62.100 0.017 0.000 1.144 101 T CB -0.336 68.554 68.868 0.036 0.000 0.864 101 T HN 0.431 nan 8.240 nan 0.000 0.444 102 V N 0.005 119.929 119.914 0.017 0.000 2.626 102 V HA 0.002 4.123 4.120 0.001 0.000 0.252 102 V C 2.434 178.533 176.094 0.008 0.000 1.067 102 V CA 1.638 63.948 62.300 0.016 0.000 1.081 102 V CB -1.044 30.790 31.823 0.018 0.000 0.686 102 V HN 0.404 nan 8.190 nan 0.000 0.468 103 V N 0.551 120.465 119.914 -0.001 0.000 2.379 103 V HA -0.103 4.017 4.120 0.001 0.000 0.245 103 V C 2.958 179.043 176.094 -0.015 0.000 1.044 103 V CA 2.233 64.526 62.300 -0.012 0.000 1.036 103 V CB -0.804 31.005 31.823 -0.023 0.000 0.664 103 V HN 0.475 nan 8.190 nan 0.000 0.453 104 R N 0.098 120.589 120.500 -0.014 0.000 2.081 104 R HA -0.163 4.178 4.340 0.001 0.000 0.235 104 R C 2.063 178.364 176.300 0.002 0.000 1.131 104 R CA 1.740 57.831 56.100 -0.015 0.000 0.960 104 R CB -0.509 29.780 30.300 -0.018 0.000 0.856 104 R HN 0.495 nan 8.270 nan 0.000 0.436 105 D N 0.561 120.969 120.400 0.014 0.000 2.144 105 D HA -0.148 4.492 4.640 0.001 0.000 0.199 105 D C 1.771 178.087 176.300 0.027 0.000 0.984 105 D CA 1.177 55.193 54.000 0.027 0.000 0.834 105 D CB -0.010 40.809 40.800 0.033 0.000 0.955 105 D HN -0.018 nan 8.370 nan 0.000 0.465 106 K N 1.066 121.476 120.400 0.017 0.000 2.057 106 K HA 0.023 4.344 4.320 0.001 0.000 0.206 106 K C 1.826 178.434 176.600 0.013 0.000 1.050 106 K CA 1.223 57.520 56.287 0.016 0.000 0.935 106 K CB -0.460 32.044 32.500 0.006 0.000 0.715 106 K HN 0.003 nan 8.250 nan 0.000 0.439 107 A N 0.053 122.873 122.820 0.001 0.000 1.877 107 A HA -0.114 4.206 4.320 0.001 0.000 0.216 107 A C 2.302 179.897 177.584 0.017 0.000 1.186 107 A CA 1.863 53.898 52.037 -0.004 0.000 0.620 107 A CB -0.855 18.130 19.000 -0.025 0.000 0.822 107 A HN 0.106 nan 8.150 nan 0.000 0.443 108 V N 0.264 120.192 119.914 0.024 0.000 2.332 108 V HA -0.308 3.812 4.120 0.001 0.000 0.248 108 V C 2.563 178.698 176.094 0.067 0.000 1.055 108 V CA 2.425 64.752 62.300 0.046 0.000 1.038 108 V CB -0.757 31.096 31.823 0.051 0.000 0.651 108 V HN 0.814 nan 8.190 nan 0.000 0.450 109 E N 0.019 120.254 120.200 0.060 0.000 2.085 109 E HA -0.221 4.130 4.350 0.001 0.000 0.194 109 E C 2.312 178.956 176.600 0.074 0.000 0.994 109 E CA 1.719 58.160 56.400 0.068 0.000 0.801 109 E CB -0.123 29.611 29.700 0.057 0.000 0.743 109 E HN 0.582 nan 8.360 nan 0.000 0.453 110 S N 0.527 116.264 115.700 0.062 0.000 2.368 110 S HA -0.083 4.388 4.470 0.001 0.000 0.224 110 S C 1.950 176.607 174.600 0.095 0.000 1.029 110 S CA 0.820 59.061 58.200 0.069 0.000 0.988 110 S CB -0.177 63.049 63.200 0.042 0.000 0.838 110 S HN 0.263 nan 8.310 nan 0.000 0.462 111 L N 0.965 122.251 121.223 0.105 0.000 2.046 111 L HA -0.126 4.214 4.340 0.001 0.000 0.208 111 L C 2.693 179.670 176.870 0.178 0.000 1.077 111 L CA 1.271 56.221 54.840 0.183 0.000 0.747 111 L CB -0.417 41.739 42.059 0.160 0.000 0.896 111 L HN 0.225 nan 8.230 nan 0.000 0.432 112 R N -0.220 120.347 120.500 0.112 0.000 2.073 112 R HA -0.139 4.202 4.340 0.001 0.000 0.234 112 R C 2.457 178.722 176.300 -0.057 0.000 1.134 112 R CA 1.348 57.455 56.100 0.012 0.000 0.952 112 R CB -0.559 29.783 30.300 0.070 0.000 0.850 112 R HN 0.356 nan 8.270 nan 0.000 0.433 113 A N 1.870 124.737 122.820 0.078 0.000 1.908 113 A HA -0.154 4.166 4.320 0.001 0.000 0.218 113 A C 2.175 179.845 177.584 0.144 0.000 1.181 113 A CA 1.662 53.797 52.037 0.162 0.000 0.627 113 A CB -0.649 18.433 19.000 0.137 0.000 0.818 113 A HN 0.503 nan 8.150 nan 0.000 0.445 114 I N -1.549 119.083 120.570 0.104 0.000 3.428 114 I HA -0.021 4.150 4.170 0.001 0.000 0.286 114 I C 2.023 178.222 176.117 0.137 0.000 1.287 114 I CA 1.207 62.597 61.300 0.151 0.000 1.396 114 I CB -0.296 37.829 38.000 0.208 0.000 1.062 114 I HN 0.273 nan 8.210 nan 0.000 0.471 115 S N 1.022 116.596 115.700 -0.210 0.000 2.368 115 S HA -0.240 4.231 4.470 0.001 0.000 0.225 115 S C 1.956 176.365 174.600 -0.318 0.000 1.030 115 S CA 1.252 59.055 58.200 -0.662 0.000 0.999 115 S CB -1.036 61.440 63.200 -1.206 0.000 0.844 115 S HN 0.571 nan 8.310 nan 0.000 0.459 116 H N 1.834 120.861 119.070 -0.072 0.000 2.457 116 H HA 0.035 4.591 4.556 0.001 0.000 0.297 116 H C 1.864 177.211 175.328 0.031 0.000 1.092 116 H CA 1.573 57.607 56.048 -0.023 0.000 1.309 116 H CB -0.264 29.493 29.762 -0.009 0.000 1.382 116 H HN 0.527 nan 8.280 nan 0.000 0.535 117 E N 0.876 121.182 120.200 0.177 0.000 2.427 117 E HA -0.030 4.320 4.350 0.001 0.000 0.196 117 E C 0.114 176.757 176.600 0.071 0.000 1.028 117 E CA 0.194 56.661 56.400 0.112 0.000 0.864 117 E CB -0.155 29.596 29.700 0.085 0.000 0.813 117 E HN 0.566 nan 8.360 nan 0.000 0.514 118 H N 0.357 119.415 119.070 -0.020 0.000 2.582 118 H HA 0.128 4.685 4.556 0.001 0.000 0.345 118 H C 0.531 175.845 175.328 -0.024 0.000 1.104 118 H CA -0.287 55.752 56.048 -0.015 0.000 1.390 118 H CB 0.833 30.566 29.762 -0.048 0.000 1.461 118 H HN -0.090 nan 8.280 nan 0.000 0.551 119 S N 2.750 118.503 115.700 0.088 0.000 2.632 119 S HA 0.181 4.651 4.470 0.001 0.000 0.271 119 S C -1.723 172.898 174.600 0.036 0.000 1.260 119 S CA -1.285 56.937 58.200 0.038 0.000 1.010 119 S CB 1.695 64.898 63.200 0.005 0.000 0.965 119 S HN 0.374 nan 8.310 nan 0.000 0.534 120 P HA -0.110 nan 4.420 nan 0.000 0.216 120 P C 1.540 178.832 177.300 -0.013 0.000 1.154 120 P CA 1.590 64.683 63.100 -0.010 0.000 0.865 120 P CB -0.132 31.556 31.700 -0.021 0.000 0.789 121 S N -0.612 115.077 115.700 -0.019 0.000 2.359 121 S HA -0.198 4.272 4.470 0.001 0.000 0.224 121 S C 1.578 176.154 174.600 -0.040 0.000 1.035 121 S CA 1.752 59.928 58.200 -0.040 0.000 1.018 121 S CB -1.212 61.959 63.200 -0.048 0.000 0.876 121 S HN 0.241 nan 8.310 nan 0.000 0.448 122 D N 1.131 121.542 120.400 0.017 0.000 2.178 122 D HA 0.028 4.668 4.640 0.001 0.000 0.202 122 D C 1.858 178.274 176.300 0.192 0.000 0.974 122 D CA 0.488 54.556 54.000 0.114 0.000 0.841 122 D CB -0.282 40.630 40.800 0.188 0.000 0.953 122 D HN 0.300 nan 8.370 nan 0.000 0.478 123 L N 0.749 122.042 121.223 0.117 0.000 2.027 123 L HA -0.144 4.197 4.340 0.001 0.000 0.206 123 L C 2.249 179.148 176.870 0.048 0.000 1.074 123 L CA 1.200 56.080 54.840 0.067 0.000 0.745 123 L CB -0.284 41.756 42.059 -0.031 0.000 0.898 123 L HN 0.041 nan 8.230 nan 0.000 0.433 124 E N -0.010 120.183 120.200 -0.013 0.000 2.107 124 E HA -0.133 4.217 4.350 0.001 0.000 0.191 124 E C 2.171 178.713 176.600 -0.097 0.000 0.982 124 E CA 1.037 57.407 56.400 -0.049 0.000 0.809 124 E CB -0.071 29.593 29.700 -0.059 0.000 0.756 124 E HN 0.475 nan 8.360 nan 0.000 0.459 125 A N 0.456 123.175 122.820 -0.168 0.000 2.021 125 A HA -0.061 4.259 4.320 0.001 0.000 0.216 125 A C 1.271 178.566 177.584 -0.483 0.000 1.163 125 A CA 1.147 52.960 52.037 -0.373 0.000 0.676 125 A CB -0.194 18.469 19.000 -0.561 0.000 0.818 125 A HN 0.225 nan 8.150 nan 0.000 0.453 126 H N -4.357 114.736 119.070 0.038 0.000 2.176 126 H HA 0.254 4.811 4.556 0.001 0.000 0.228 126 H C 1.551 176.917 175.328 0.063 0.000 0.879 126 H CA 0.242 56.336 56.048 0.076 0.000 1.027 126 H CB -0.068 29.791 29.762 0.163 0.000 1.356 126 H HN 0.308 nan 8.280 nan 0.000 0.425 127 F N 1.777 121.758 119.950 0.052 0.000 2.069 127 F HA -0.234 4.293 4.527 0.001 0.000 0.298 127 F C 2.088 177.802 175.800 -0.145 0.000 1.113 127 F CA 1.378 59.304 58.000 -0.123 0.000 1.214 127 F CB -0.374 38.434 39.000 -0.320 0.000 0.978 127 F HN -0.100 nan 8.300 nan 0.000 0.474 128 V N 0.847 120.768 119.914 0.012 0.000 2.332 128 V HA -0.245 3.876 4.120 0.001 0.000 0.248 128 V C -0.488 175.470 176.094 -0.228 0.000 1.055 128 V CA 2.316 64.537 62.300 -0.132 0.000 1.038 128 V CB -1.779 29.992 31.823 -0.086 0.000 0.651 128 V HN 0.214 nan 8.190 nan 0.000 0.450 129 P HA -0.141 nan 4.420 nan 0.000 0.218 129 P C 1.841 179.037 177.300 -0.174 0.000 1.148 129 P CA 1.060 64.072 63.100 -0.146 0.000 0.822 129 P CB -0.041 31.619 31.700 -0.067 0.000 0.784 130 L N -0.511 120.582 121.223 -0.217 0.000 1.994 130 L HA -0.130 4.211 4.340 0.001 0.000 0.208 130 L C 2.080 178.760 176.870 -0.316 0.000 1.071 130 L CA 1.955 56.638 54.840 -0.263 0.000 0.745 130 L CB -1.326 40.502 42.059 -0.384 0.000 0.892 130 L HN -0.195 nan 8.230 nan 0.000 0.431 131 V N -0.129 119.515 119.914 -0.449 0.000 2.380 131 V HA -0.331 3.789 4.120 0.001 0.000 0.251 131 V C 2.759 178.664 176.094 -0.315 0.000 1.063 131 V CA 2.110 64.141 62.300 -0.447 0.000 1.055 131 V CB -0.804 30.655 31.823 -0.606 0.000 0.657 131 V HN 0.423 nan 8.190 nan 0.000 0.455 132 K N 0.188 120.382 120.400 -0.343 0.000 2.002 132 K HA -0.118 4.202 4.320 0.001 0.000 0.209 132 K C 2.287 178.866 176.600 -0.035 0.000 1.048 132 K CA 1.529 57.629 56.287 -0.312 0.000 0.930 132 K CB -0.405 31.878 32.500 -0.362 0.000 0.714 132 K HN 0.386 nan 8.250 nan 0.000 0.438 133 R N -0.177 120.288 120.500 -0.058 0.000 2.091 133 R HA -0.115 4.225 4.340 0.001 0.000 0.238 133 R C 2.075 178.381 176.300 0.010 0.000 1.136 133 R CA 1.123 57.219 56.100 -0.006 0.000 0.959 133 R CB -0.495 29.786 30.300 -0.032 0.000 0.856 133 R HN 0.062 nan 8.270 nan 0.000 0.437 134 L N 0.627 121.833 121.223 -0.029 0.000 2.017 134 L HA -0.095 4.245 4.340 0.001 0.000 0.208 134 L C 2.452 179.354 176.870 0.054 0.000 1.073 134 L CA 1.876 56.711 54.840 -0.009 0.000 0.745 134 L CB -1.128 40.897 42.059 -0.056 0.000 0.894 134 L HN 0.165 nan 8.230 nan 0.000 0.432 135 A N -1.051 121.827 122.820 0.098 0.000 1.972 135 A HA -0.054 4.267 4.320 0.001 0.000 0.219 135 A C 2.027 179.710 177.584 0.164 0.000 1.169 135 A CA 1.561 53.713 52.037 0.191 0.000 0.635 135 A CB -0.949 18.285 19.000 0.390 0.000 0.810 135 A HN 0.458 nan 8.150 nan 0.000 0.446 136 G N -0.630 108.266 108.800 0.161 0.000 3.434 136 G HA2 0.431 4.391 3.960 0.001 0.000 0.258 136 G HA3 0.431 4.391 3.960 0.001 0.000 0.258 136 G C 0.655 175.606 174.900 0.085 0.000 1.128 136 G CA 0.399 45.569 45.100 0.118 0.000 0.792 136 G HN 0.686 nan 8.290 nan 0.000 0.539 137 G N -0.174 108.676 108.800 0.083 0.000 2.614 137 G HA2 0.250 4.210 3.960 0.001 0.000 0.239 137 G HA3 0.250 4.210 3.960 0.001 0.000 0.239 137 G C 0.413 175.377 174.900 0.107 0.000 1.240 137 G CA -0.283 44.870 45.100 0.087 0.000 0.842 137 G HN 0.085 nan 8.290 nan 0.000 0.584 138 D N -0.742 119.740 120.400 0.136 0.000 2.234 138 D HA -0.026 4.614 4.640 0.001 0.000 0.205 138 D C 0.246 176.684 176.300 0.230 0.000 0.962 138 D CA 0.739 54.838 54.000 0.164 0.000 0.855 138 D CB 0.260 41.173 40.800 0.188 0.000 0.951 138 D HN 0.385 nan 8.370 nan 0.000 0.500 139 W N 1.533 122.838 121.300 0.008 0.000 2.391 139 W HA 0.084 4.745 4.660 0.001 0.000 0.311 139 W C 0.767 177.281 176.519 -0.007 0.000 1.087 139 W CA -0.977 56.365 57.345 -0.004 0.000 1.209 139 W CB 0.826 30.240 29.460 -0.076 0.000 1.273 139 W HN -0.166 nan 8.180 nan 0.000 0.482 140 F N 1.989 121.861 119.950 -0.130 0.000 2.250 140 F HA -0.254 4.273 4.527 0.001 0.000 0.301 140 F C 2.036 177.851 175.800 0.024 0.000 1.077 140 F CA 2.059 60.015 58.000 -0.072 0.000 1.348 140 F CB -1.039 37.868 39.000 -0.155 0.000 1.040 140 F HN 0.170 nan 8.300 nan 0.000 0.509 141 T N -2.429 111.708 114.554 -0.696 0.000 2.833 141 T HA -0.149 4.201 4.350 0.001 0.000 0.269 141 T C 1.943 176.576 174.700 -0.113 0.000 1.054 141 T CA 1.337 63.161 62.100 -0.460 0.000 1.135 141 T CB -0.963 67.698 68.868 -0.345 0.000 0.869 141 T HN 0.391 nan 8.240 nan 0.000 0.466 142 S N 1.728 117.415 115.700 -0.021 0.000 2.368 142 S HA -0.031 4.439 4.470 0.001 0.000 0.225 142 S C 2.246 176.865 174.600 0.032 0.000 1.030 142 S CA 0.857 59.065 58.200 0.013 0.000 0.999 142 S CB -0.260 62.968 63.200 0.046 0.000 0.844 142 S HN 0.569 nan 8.310 nan 0.000 0.459 143 R N 0.981 121.517 120.500 0.060 0.000 2.115 143 R HA -0.043 4.298 4.340 0.001 0.000 0.226 143 R C 2.675 179.016 176.300 0.068 0.000 1.100 143 R CA 1.654 57.798 56.100 0.074 0.000 0.980 143 R CB -0.958 29.392 30.300 0.082 0.000 0.875 143 R HN 0.613 nan 8.270 nan 0.000 0.445 144 T N -1.467 113.135 114.554 0.080 0.000 2.857 144 T HA -0.023 4.327 4.350 0.001 0.000 0.266 144 T C 2.110 176.846 174.700 0.060 0.000 1.048 144 T CA 1.356 63.502 62.100 0.078 0.000 1.139 144 T CB -0.159 68.779 68.868 0.117 0.000 0.874 144 T HN 0.000 nan 8.240 nan 0.000 0.455 145 S N 1.860 117.584 115.700 0.041 0.000 2.382 145 S HA 0.123 4.593 4.470 0.001 0.000 0.228 145 S C 2.616 177.253 174.600 0.062 0.000 1.027 145 S CA 0.902 59.124 58.200 0.037 0.000 0.991 145 S CB -0.825 62.377 63.200 0.003 0.000 0.823 145 S HN 0.763 nan 8.310 nan 0.000 0.469 146 A N 0.552 123.416 122.820 0.074 0.000 1.978 146 A HA -0.179 4.141 4.320 0.001 0.000 0.220 146 A C 2.331 180.105 177.584 0.317 0.000 1.170 146 A CA 1.543 53.656 52.037 0.126 0.000 0.636 146 A CB -1.313 17.777 19.000 0.150 0.000 0.810 146 A HN 0.631 nan 8.150 nan 0.000 0.448 147 C N -1.144 118.297 119.300 0.234 0.000 2.411 147 C HA -0.017 4.444 4.460 0.001 0.000 0.279 147 C C 2.545 177.738 174.990 0.338 0.000 1.288 147 C CA 0.729 59.879 59.018 0.220 0.000 1.764 147 C CB -1.497 26.258 27.740 0.026 0.000 1.974 147 C HN 0.712 nan 8.230 nan 0.000 0.498 148 G N -0.755 108.190 108.800 0.242 0.000 3.314 148 G HA2 0.303 4.263 3.960 0.001 0.000 0.238 148 G HA3 0.303 4.263 3.960 0.001 0.000 0.238 148 G C 0.993 176.024 174.900 0.218 0.000 1.184 148 G CA 0.005 45.234 45.100 0.215 0.000 0.806 148 G HN 0.553 nan 8.290 nan 0.000 0.536 149 L N -1.162 120.212 121.223 0.252 0.000 2.766 149 L HA 0.367 4.707 4.340 0.001 0.000 0.242 149 L C 1.655 178.612 176.870 0.144 0.000 1.136 149 L CA -0.246 54.694 54.840 0.165 0.000 0.933 149 L CB 0.073 42.132 42.059 -0.000 0.000 1.241 149 L HN 0.056 nan 8.230 nan 0.000 0.522 150 F N 0.648 120.653 119.950 0.091 0.000 2.149 150 F HA -0.159 4.368 4.527 0.001 0.000 0.294 150 F C 2.924 178.834 175.800 0.182 0.000 1.095 150 F CA 1.515 59.541 58.000 0.044 0.000 1.276 150 F CB -0.708 38.069 39.000 -0.373 0.000 1.023 150 F HN 0.107 nan 8.300 nan 0.000 0.480 151 S N 0.646 116.570 115.700 0.374 0.000 2.374 151 S HA -0.209 4.262 4.470 0.001 0.000 0.227 151 S C 2.127 176.869 174.600 0.237 0.000 1.037 151 S CA 1.718 60.116 58.200 0.330 0.000 1.024 151 S CB -1.556 61.784 63.200 0.233 0.000 0.861 151 S HN 0.285 nan 8.310 nan 0.000 0.456 152 V N 0.992 121.000 119.914 0.156 0.000 2.515 152 V HA -0.085 4.035 4.120 0.001 0.000 0.250 152 V C 2.691 178.766 176.094 -0.032 0.000 1.058 152 V CA 1.115 63.438 62.300 0.040 0.000 1.064 152 V CB -1.909 29.849 31.823 -0.108 0.000 0.675 152 V HN 0.904 nan 8.190 nan 0.000 0.461 153 C N -2.421 116.889 119.300 0.016 0.000 2.674 153 C HA 0.260 4.720 4.460 0.001 0.000 0.276 153 C C 2.457 177.506 174.990 0.098 0.000 1.300 153 C CA 0.095 59.092 59.018 -0.035 0.000 1.732 153 C CB -1.515 26.204 27.740 -0.036 0.000 2.076 153 C HN 0.572 nan 8.230 nan 0.000 0.548 154 Y N 4.200 124.566 120.300 0.109 0.000 2.053 154 Y HA -0.071 4.479 4.550 0.001 0.000 0.277 154 Y C -0.065 175.878 175.900 0.072 0.000 1.159 154 Y CA 2.721 60.909 58.100 0.147 0.000 1.125 154 Y CB -1.367 37.258 38.460 0.275 0.000 0.969 154 Y HN 0.227 nan 8.280 nan 0.000 0.492 155 P HA -0.173 nan 4.420 nan 0.000 0.221 155 P C 0.610 177.903 177.300 -0.011 0.000 1.145 155 P CA 1.736 64.894 63.100 0.097 0.000 0.795 155 P CB -0.134 31.648 31.700 0.138 0.000 0.775 156 R N 0.013 120.502 120.500 -0.019 0.000 2.317 156 R HA 0.167 4.507 4.340 0.001 0.000 0.208 156 R C 0.912 177.174 176.300 -0.064 0.000 0.914 156 R CA 0.087 56.166 56.100 -0.035 0.000 1.060 156 R CB 0.172 30.459 30.300 -0.022 0.000 1.015 156 R HN 0.211 nan 8.270 nan 0.000 0.498 157 V N -1.941 117.909 119.914 -0.107 0.000 3.093 157 V HA 0.461 4.581 4.120 0.001 0.000 0.320 157 V C 0.643 176.659 176.094 -0.130 0.000 1.093 157 V CA -1.241 60.994 62.300 -0.108 0.000 1.016 157 V CB 1.698 33.459 31.823 -0.104 0.000 1.096 157 V HN 0.144 nan 8.190 nan 0.000 0.452 158 S N 1.067 116.710 115.700 -0.096 0.000 2.587 158 S HA 0.074 4.545 4.470 0.001 0.000 0.260 158 S C 1.477 176.015 174.600 -0.104 0.000 1.353 158 S CA 0.309 58.460 58.200 -0.083 0.000 0.995 158 S CB 0.712 63.880 63.200 -0.054 0.000 0.912 158 S HN 1.928 nan 8.310 nan 0.000 0.568 159 S N 1.410 117.065 115.700 -0.076 0.000 2.399 159 S HA -0.079 4.392 4.470 0.001 0.000 0.231 159 S C 1.995 176.575 174.600 -0.034 0.000 1.022 159 S CA 0.754 58.916 58.200 -0.063 0.000 0.983 159 S CB -1.251 61.930 63.200 -0.031 0.000 0.803 159 S HN 1.157 nan 8.310 nan 0.000 0.480 160 A N 1.321 124.128 122.820 -0.023 0.000 1.930 160 A HA 0.119 4.439 4.320 0.001 0.000 0.217 160 A C 2.364 179.953 177.584 0.008 0.000 1.175 160 A CA 1.543 53.581 52.037 0.001 0.000 0.627 160 A CB -0.890 18.109 19.000 -0.002 0.000 0.815 160 A HN 0.469 nan 8.150 nan 0.000 0.443 161 V N -0.106 119.796 119.914 -0.020 0.000 2.591 161 V HA -0.167 3.953 4.120 0.001 0.000 0.249 161 V C 2.293 178.390 176.094 0.005 0.000 1.053 161 V CA 1.910 64.202 62.300 -0.013 0.000 1.068 161 V CB -0.567 31.230 31.823 -0.043 0.000 0.689 161 V HN 0.501 nan 8.190 nan 0.000 0.462 162 K N 0.605 120.959 120.400 -0.076 0.000 2.103 162 K HA -0.142 4.178 4.320 0.001 0.000 0.207 162 K C 2.282 179.001 176.600 0.199 0.000 1.048 162 K CA 1.479 57.694 56.287 -0.120 0.000 0.930 162 K CB -0.349 31.895 32.500 -0.427 0.000 0.716 162 K HN 0.482 nan 8.250 nan 0.000 0.444 163 A N 1.470 124.375 122.820 0.142 0.000 1.930 163 A HA -0.190 4.130 4.320 0.001 0.000 0.217 163 A C 1.861 179.587 177.584 0.238 0.000 1.175 163 A CA 1.389 53.538 52.037 0.187 0.000 0.627 163 A CB -0.287 18.785 19.000 0.120 0.000 0.815 163 A HN 0.285 nan 8.150 nan 0.000 0.443 164 E N -0.206 120.122 120.200 0.214 0.000 2.072 164 E HA -0.117 4.234 4.350 0.001 0.000 0.191 164 E C 1.932 178.772 176.600 0.399 0.000 0.985 164 E CA 1.000 57.565 56.400 0.274 0.000 0.801 164 E CB -0.260 29.543 29.700 0.171 0.000 0.750 164 E HN 0.608 nan 8.360 nan 0.000 0.452 165 L N 0.625 122.073 121.223 0.374 0.000 2.046 165 L HA -0.199 4.142 4.340 0.001 0.000 0.208 165 L C 2.558 179.842 176.870 0.689 0.000 1.077 165 L CA 1.203 56.371 54.840 0.548 0.000 0.747 165 L CB -0.302 42.112 42.059 0.592 0.000 0.896 165 L HN 0.071 nan 8.230 nan 0.000 0.432 166 R N -0.603 120.263 120.500 0.610 0.000 2.120 166 R HA -0.207 4.134 4.340 0.001 0.000 0.234 166 R C 2.249 178.787 176.300 0.397 0.000 1.123 166 R CA 1.248 57.666 56.100 0.530 0.000 0.975 166 R CB -0.222 30.317 30.300 0.398 0.000 0.866 166 R HN 0.289 nan 8.270 nan 0.000 0.446 167 Q N 0.040 120.058 119.800 0.363 0.000 2.083 167 Q HA -0.126 4.215 4.340 0.001 0.000 0.198 167 Q C 1.457 177.585 176.000 0.213 0.000 0.969 167 Q CA 1.610 57.561 55.803 0.246 0.000 0.838 167 Q CB -0.278 28.584 28.738 0.206 0.000 0.900 167 Q HN 0.311 nan 8.270 nan 0.000 0.436 168 Y N -0.849 119.594 120.300 0.238 0.000 2.224 168 Y HA -0.131 4.420 4.550 0.001 0.000 0.289 168 Y C 1.856 177.829 175.900 0.122 0.000 1.146 168 Y CA 1.350 59.590 58.100 0.233 0.000 1.182 168 Y CB -0.346 38.332 38.460 0.363 0.000 0.983 168 Y HN 0.225 nan 8.280 nan 0.000 0.524 169 F N 0.287 120.248 119.950 0.019 0.000 2.259 169 F HA -0.110 4.417 4.527 0.001 0.000 0.298 169 F C 2.554 178.237 175.800 -0.195 0.000 1.088 169 F CA 1.216 58.927 58.000 -0.482 0.000 1.358 169 F CB -0.143 38.338 39.000 -0.865 0.000 1.040 169 F HN -0.142 nan 8.300 nan 0.000 0.505 170 R N 0.191 120.757 120.500 0.109 0.000 2.115 170 R HA -0.126 4.215 4.340 0.001 0.000 0.226 170 R C 1.905 178.175 176.300 -0.051 0.000 1.100 170 R CA 1.532 57.669 56.100 0.061 0.000 0.980 170 R CB -0.270 30.091 30.300 0.101 0.000 0.875 170 R HN 0.201 nan 8.270 nan 0.000 0.445 171 N N 0.738 119.390 118.700 -0.079 0.000 2.166 171 N HA -0.146 4.595 4.740 0.001 0.000 0.186 171 N C 1.769 177.195 175.510 -0.140 0.000 1.019 171 N CA 1.153 54.133 53.050 -0.116 0.000 0.856 171 N CB -0.141 38.244 38.487 -0.169 0.000 0.993 171 N HN 0.269 nan 8.380 nan 0.000 0.426 172 L N 0.071 121.167 121.223 -0.212 0.000 2.093 172 L HA -0.089 4.251 4.340 0.001 0.000 0.208 172 L C 2.281 178.991 176.870 -0.266 0.000 1.085 172 L CA 0.665 55.348 54.840 -0.263 0.000 0.755 172 L CB -0.397 41.405 42.059 -0.427 0.000 0.904 172 L HN 0.162 nan 8.230 nan 0.000 0.435 173 C N -0.837 118.285 119.300 -0.297 0.000 2.419 173 C HA -0.107 4.353 4.460 0.001 0.000 0.281 173 C C 2.404 177.328 174.990 -0.110 0.000 1.336 173 C CA 0.928 59.834 59.018 -0.186 0.000 1.770 173 C CB -0.761 26.921 27.740 -0.097 0.000 1.929 173 C HN 0.436 nan 8.230 nan 0.000 0.509 174 S N -0.393 115.246 115.700 -0.102 0.000 2.575 174 S HA 0.056 4.527 4.470 0.001 0.000 0.237 174 S C 0.123 174.675 174.600 -0.080 0.000 0.975 174 S CA -0.234 57.920 58.200 -0.076 0.000 0.960 174 S CB -0.332 62.833 63.200 -0.059 0.000 0.822 174 S HN 0.645 nan 8.310 nan 0.000 0.472 175 D N 1.734 122.078 120.400 -0.092 0.000 2.400 175 D HA -0.015 4.625 4.640 0.001 0.000 0.238 175 D C 0.198 176.451 176.300 -0.079 0.000 1.157 175 D CA 0.159 54.111 54.000 -0.081 0.000 0.889 175 D CB 0.780 41.532 40.800 -0.079 0.000 1.199 175 D HN -0.026 nan 8.370 nan 0.000 0.436 176 D N 0.611 120.966 120.400 -0.076 0.000 2.178 176 D HA -0.056 4.584 4.640 0.001 0.000 0.202 176 D C 0.132 176.368 176.300 -0.107 0.000 0.974 176 D CA 0.960 54.910 54.000 -0.083 0.000 0.841 176 D CB 0.038 40.792 40.800 -0.077 0.000 0.953 176 D HN 0.272 nan 8.370 nan 0.000 0.478 177 T N 1.849 116.330 114.554 -0.122 0.000 2.761 177 T HA 0.141 4.492 4.350 0.001 0.000 0.296 177 T C -1.735 172.866 174.700 -0.166 0.000 0.934 177 T CA -1.344 60.648 62.100 -0.181 0.000 1.091 177 T CB 1.906 70.637 68.868 -0.230 0.000 0.896 177 T HN -0.089 nan 8.240 nan 0.000 0.515 178 P HA -0.110 nan 4.420 nan 0.000 0.216 178 P C 1.479 178.701 177.300 -0.130 0.000 1.153 178 P CA 1.039 64.057 63.100 -0.137 0.000 0.858 178 P CB 0.012 31.630 31.700 -0.137 0.000 0.789 179 M N -1.514 117.975 119.600 -0.185 0.000 2.149 179 M HA -0.131 4.350 4.480 0.001 0.000 0.261 179 M C 1.951 178.231 176.300 -0.033 0.000 1.064 179 M CA 1.625 56.851 55.300 -0.123 0.000 1.102 179 M CB -1.564 30.899 32.600 -0.229 0.000 1.369 179 M HN -0.217 nan 8.290 nan 0.000 0.408 180 V N -0.179 119.708 119.914 -0.045 0.000 2.323 180 V HA -0.199 3.921 4.120 0.001 0.000 0.244 180 V C 2.385 178.440 176.094 -0.064 0.000 1.041 180 V CA 1.644 63.937 62.300 -0.012 0.000 1.025 180 V CB -0.639 31.177 31.823 -0.012 0.000 0.656 180 V HN 0.409 nan 8.190 nan 0.000 0.451 181 R N -0.049 120.403 120.500 -0.081 0.000 2.120 181 R HA -0.098 4.242 4.340 0.001 0.000 0.234 181 R C 2.479 178.742 176.300 -0.061 0.000 1.123 181 R CA 1.142 57.190 56.100 -0.087 0.000 0.975 181 R CB -0.356 29.895 30.300 -0.080 0.000 0.866 181 R HN 0.486 nan 8.270 nan 0.000 0.446 182 R N 0.399 120.872 120.500 -0.045 0.000 2.092 182 R HA -0.024 4.317 4.340 0.001 0.000 0.231 182 R C 2.327 178.626 176.300 -0.002 0.000 1.119 182 R CA 1.227 57.316 56.100 -0.020 0.000 0.970 182 R CB -0.282 30.006 30.300 -0.019 0.000 0.864 182 R HN 0.188 nan 8.270 nan 0.000 0.440 183 A N 1.302 124.119 122.820 -0.005 0.000 1.902 183 A HA -0.094 4.226 4.320 0.001 0.000 0.217 183 A C 2.361 179.938 177.584 -0.012 0.000 1.181 183 A CA 1.643 53.687 52.037 0.011 0.000 0.623 183 A CB -0.510 18.504 19.000 0.023 0.000 0.818 183 A HN 0.381 nan 8.150 nan 0.000 0.443 184 A N 0.005 122.770 122.820 -0.093 0.000 1.858 184 A HA 0.155 4.475 4.320 0.001 0.000 0.216 184 A C 2.544 180.143 177.584 0.025 0.000 1.190 184 A CA 2.179 54.101 52.037 -0.192 0.000 0.617 184 A CB -1.189 17.580 19.000 -0.384 0.000 0.827 184 A HN 1.125 nan 8.150 nan 0.000 0.443 185 A N 0.440 123.278 122.820 0.031 0.000 1.917 185 A HA -0.169 4.151 4.320 0.001 0.000 0.219 185 A C 2.439 180.092 177.584 0.115 0.000 1.182 185 A CA 2.611 54.704 52.037 0.093 0.000 0.633 185 A CB -1.067 17.970 19.000 0.062 0.000 0.819 185 A HN 1.110 nan 8.150 nan 0.000 0.448 186 S N -1.647 114.107 115.700 0.090 0.000 2.515 186 S HA 0.035 4.506 4.470 0.001 0.000 0.231 186 S C 1.333 176.003 174.600 0.117 0.000 0.987 186 S CA 1.001 59.257 58.200 0.092 0.000 0.936 186 S CB 0.063 63.307 63.200 0.073 0.000 0.766 186 S HN 0.420 nan 8.310 nan 0.000 0.528 187 K N 0.209 120.709 120.400 0.167 0.000 2.374 187 K HA 0.386 4.706 4.320 0.001 0.000 0.202 187 K C 1.249 177.995 176.600 0.243 0.000 1.040 187 K CA -0.147 56.265 56.287 0.209 0.000 1.085 187 K CB -0.025 32.630 32.500 0.259 0.000 0.873 187 K HN 0.297 nan 8.250 nan 0.000 0.539 188 L N 1.144 122.521 121.223 0.255 0.000 1.994 188 L HA -0.055 4.285 4.340 0.001 0.000 0.208 188 L C 1.998 178.903 176.870 0.059 0.000 1.071 188 L CA 2.244 57.206 54.840 0.203 0.000 0.745 188 L CB -1.030 41.164 42.059 0.226 0.000 0.892 188 L HN 0.238 nan 8.230 nan 0.000 0.431 189 G N -1.074 107.749 108.800 0.039 0.000 2.491 189 G HA2 -0.386 3.574 3.960 0.001 0.000 0.218 189 G HA3 -0.386 3.574 3.960 0.001 0.000 0.218 189 G C 1.453 176.341 174.900 -0.019 0.000 1.180 189 G CA 0.903 45.990 45.100 -0.021 0.000 0.774 189 G HN 0.589 nan 8.290 nan 0.000 0.562 190 E N -0.647 119.571 120.200 0.031 0.000 2.097 190 E HA -0.221 4.130 4.350 0.001 0.000 0.196 190 E C 2.133 178.762 176.600 0.048 0.000 1.000 190 E CA 1.220 57.648 56.400 0.047 0.000 0.804 190 E CB -0.337 29.417 29.700 0.090 0.000 0.740 190 E HN 0.378 nan 8.360 nan 0.000 0.454 191 F N 1.047 120.885 119.950 -0.187 0.000 2.206 191 F HA 0.092 4.619 4.527 0.001 0.000 0.298 191 F C 2.088 177.678 175.800 -0.350 0.000 1.090 191 F CA 1.185 58.980 58.000 -0.341 0.000 1.323 191 F CB -0.646 37.917 39.000 -0.728 0.000 1.028 191 F HN 0.111 nan 8.300 nan 0.000 0.492 192 A N 0.378 123.000 122.820 -0.330 0.000 1.933 192 A HA -0.194 4.126 4.320 0.001 0.000 0.218 192 A C 2.244 179.639 177.584 -0.314 0.000 1.175 192 A CA 1.586 53.386 52.037 -0.394 0.000 0.628 192 A CB -0.689 18.168 19.000 -0.239 0.000 0.814 192 A HN 0.422 nan 8.150 nan 0.000 0.444 193 K N -0.218 120.063 120.400 -0.199 0.000 2.280 193 K HA -0.087 4.234 4.320 0.001 0.000 0.202 193 K C 1.392 177.911 176.600 -0.136 0.000 1.047 193 K CA 1.477 57.683 56.287 -0.136 0.000 0.942 193 K CB -0.248 32.209 32.500 -0.072 0.000 0.739 193 K HN 0.582 nan 8.250 nan 0.000 0.457 194 V N -1.772 118.021 119.914 -0.201 0.000 3.621 194 V HA 0.224 4.345 4.120 0.001 0.000 0.285 194 V C 0.547 176.513 176.094 -0.214 0.000 1.346 194 V CA -0.219 62.000 62.300 -0.135 0.000 1.104 194 V CB -0.440 31.370 31.823 -0.023 0.000 0.913 194 V HN -0.000 nan 8.190 nan 0.000 0.432 195 L N 0.735 121.717 121.223 -0.401 0.000 2.416 195 L HA 0.553 4.894 4.340 0.001 0.000 0.262 195 L C 0.247 177.036 176.870 -0.136 0.000 1.093 195 L CA -0.623 53.992 54.840 -0.374 0.000 0.801 195 L CB 0.955 42.665 42.059 -0.581 0.000 1.191 195 L HN 0.157 nan 8.230 nan 0.000 0.459 196 E N 0.597 120.771 120.200 -0.044 0.000 2.338 196 E HA 0.027 4.377 4.350 0.001 0.000 0.272 196 E C 0.596 177.163 176.600 -0.054 0.000 1.029 196 E CA -0.358 56.030 56.400 -0.020 0.000 0.872 196 E CB 0.847 30.559 29.700 0.019 0.000 1.015 196 E HN 0.338 nan 8.360 nan 0.000 0.417 197 L N 3.098 124.292 121.223 -0.048 0.000 2.034 197 L HA -0.312 4.029 4.340 0.001 0.000 0.217 197 L C 1.119 177.963 176.870 -0.043 0.000 1.077 197 L CA 2.087 56.896 54.840 -0.052 0.000 0.769 197 L CB -0.365 41.671 42.059 -0.038 0.000 0.890 197 L HN 0.594 nan 8.230 nan 0.000 0.435 198 D N -0.684 119.700 120.400 -0.026 0.000 2.149 198 D HA -0.171 4.470 4.640 0.001 0.000 0.198 198 D C 1.919 178.209 176.300 -0.017 0.000 0.990 198 D CA 1.240 55.231 54.000 -0.015 0.000 0.839 198 D CB -0.302 40.496 40.800 -0.003 0.000 0.948 198 D HN 0.459 nan 8.370 nan 0.000 0.460 199 N N 0.000 118.685 118.700 -0.025 0.000 2.354 199 N HA -0.061 4.679 4.740 0.001 0.000 0.179 199 N C 1.935 177.404 175.510 -0.069 0.000 1.021 199 N CA 0.190 53.221 53.050 -0.031 0.000 0.887 199 N CB 0.133 38.605 38.487 -0.024 0.000 0.974 199 N HN 0.094 nan 8.380 nan 0.000 0.437 200 V N 1.929 121.786 119.914 -0.095 0.000 2.261 200 V HA -0.210 3.911 4.120 0.001 0.000 0.246 200 V C 2.156 178.215 176.094 -0.058 0.000 1.047 200 V CA 1.576 63.809 62.300 -0.112 0.000 1.015 200 V CB -0.325 31.425 31.823 -0.122 0.000 0.642 200 V HN 0.277 nan 8.190 nan 0.000 0.446 201 K N 0.874 121.250 120.400 -0.039 0.000 2.097 201 K HA -0.132 4.188 4.320 0.001 0.000 0.206 201 K C 2.306 178.909 176.600 0.005 0.000 1.049 201 K CA 1.806 58.085 56.287 -0.013 0.000 0.933 201 K CB -0.319 32.174 32.500 -0.012 0.000 0.717 201 K HN 0.636 nan 8.250 nan 0.000 0.442 202 S N 0.380 116.082 115.700 0.004 0.000 2.458 202 S HA 0.022 4.492 4.470 0.001 0.000 0.223 202 S C 1.635 176.252 174.600 0.029 0.000 1.019 202 S CA 0.367 58.578 58.200 0.018 0.000 0.937 202 S CB 0.150 63.360 63.200 0.018 0.000 0.788 202 S HN 0.262 nan 8.310 nan 0.000 0.511 203 E N 0.160 120.374 120.200 0.024 0.000 2.367 203 E HA 0.264 4.614 4.350 0.001 0.000 0.204 203 E C 1.585 178.219 176.600 0.057 0.000 0.840 203 E CA -0.073 56.354 56.400 0.046 0.000 1.051 203 E CB 0.150 29.882 29.700 0.054 0.000 1.051 203 E HN 0.302 nan 8.360 nan 0.000 0.509 204 I N 1.819 122.401 120.570 0.019 0.000 2.233 204 I HA -0.188 3.983 4.170 0.001 0.000 0.243 204 I C 2.394 178.578 176.117 0.111 0.000 1.093 204 I CA 0.893 62.214 61.300 0.036 0.000 1.380 204 I CB -0.648 37.316 38.000 -0.061 0.000 1.067 204 I HN 0.122 nan 8.210 nan 0.000 0.413 205 I N 2.157 122.786 120.570 0.098 0.000 2.087 205 I HA -0.224 3.946 4.170 0.001 0.000 0.240 205 I C 0.020 176.248 176.117 0.184 0.000 1.054 205 I CA 2.166 63.575 61.300 0.182 0.000 1.311 205 I CB -2.856 35.215 38.000 0.118 0.000 1.024 205 I HN 0.151 nan 8.210 nan 0.000 0.402 206 P HA -0.181 nan 4.420 nan 0.000 0.216 206 P C 2.078 179.423 177.300 0.076 0.000 1.150 206 P CA 1.737 64.879 63.100 0.069 0.000 0.837 206 P CB -0.101 31.630 31.700 0.052 0.000 0.786 207 M N -1.961 117.710 119.600 0.118 0.000 2.086 207 M HA -0.127 4.354 4.480 0.001 0.000 0.261 207 M C 2.260 178.653 176.300 0.155 0.000 1.067 207 M CA 1.697 57.076 55.300 0.132 0.000 1.116 207 M CB -0.839 31.872 32.600 0.187 0.000 1.348 207 M HN -0.136 nan 8.290 nan 0.000 0.407 208 F N 0.531 120.504 119.950 0.038 0.000 2.075 208 F HA -0.195 4.332 4.527 0.001 0.000 0.297 208 F C 2.705 178.514 175.800 0.015 0.000 1.113 208 F CA 1.917 59.934 58.000 0.027 0.000 1.218 208 F CB -0.869 38.142 39.000 0.018 0.000 0.984 208 F HN 0.061 nan 8.300 nan 0.000 0.472 209 S N 0.208 115.745 115.700 -0.271 0.000 2.399 209 S HA -0.200 4.270 4.470 0.001 0.000 0.231 209 S C 1.890 176.353 174.600 -0.229 0.000 1.022 209 S CA 1.731 59.709 58.200 -0.369 0.000 0.983 209 S CB -0.574 62.537 63.200 -0.150 0.000 0.803 209 S HN 0.530 nan 8.310 nan 0.000 0.480 210 N N 1.272 119.903 118.700 -0.115 0.000 2.106 210 N HA 0.098 4.838 4.740 0.001 0.000 0.188 210 N C 1.683 177.140 175.510 -0.089 0.000 1.029 210 N CA 1.172 54.174 53.050 -0.079 0.000 0.848 210 N CB -0.550 37.916 38.487 -0.035 0.000 1.007 210 N HN 0.368 nan 8.380 nan 0.000 0.423 211 L N 0.272 121.450 121.223 -0.076 0.000 2.046 211 L HA -0.075 4.266 4.340 0.001 0.000 0.208 211 L C 2.080 178.890 176.870 -0.099 0.000 1.077 211 L CA 1.096 55.901 54.840 -0.059 0.000 0.747 211 L CB -0.470 41.591 42.059 0.003 0.000 0.896 211 L HN 0.129 nan 8.230 nan 0.000 0.432 212 A N -0.568 122.136 122.820 -0.194 0.000 2.178 212 A HA -0.117 4.203 4.320 0.001 0.000 0.218 212 A C 1.952 179.445 177.584 -0.150 0.000 1.157 212 A CA 1.545 53.452 52.037 -0.216 0.000 0.689 212 A CB -0.417 18.321 19.000 -0.437 0.000 0.787 212 A HN 0.503 nan 8.150 nan 0.000 0.465 213 S N -1.087 114.536 115.700 -0.128 0.000 2.754 213 S HA 0.254 4.725 4.470 0.001 0.000 0.247 213 S C -0.277 174.279 174.600 -0.073 0.000 1.031 213 S CA -0.276 57.868 58.200 -0.093 0.000 1.014 213 S CB -0.405 62.742 63.200 -0.089 0.000 0.918 213 S HN 0.401 nan 8.310 nan 0.000 0.519 214 D N 1.940 122.297 120.400 -0.072 0.000 2.423 214 D HA 0.113 4.753 4.640 0.001 0.000 0.238 214 D C 1.145 177.408 176.300 -0.061 0.000 1.142 214 D CA 0.115 54.077 54.000 -0.063 0.000 0.884 214 D CB 0.730 41.493 40.800 -0.062 0.000 1.199 214 D HN 0.241 nan 8.370 nan 0.000 0.438 215 E N 0.655 120.820 120.200 -0.058 0.000 2.150 215 E HA -0.131 4.220 4.350 0.001 0.000 0.193 215 E C 0.125 176.688 176.600 -0.062 0.000 0.985 215 E CA 0.670 57.037 56.400 -0.056 0.000 0.814 215 E CB 0.153 29.822 29.700 -0.053 0.000 0.752 215 E HN 0.511 nan 8.360 nan 0.000 0.466 216 Q N 1.418 121.178 119.800 -0.067 0.000 2.288 216 Q HA 0.023 4.363 4.340 0.001 0.000 0.258 216 Q C 0.338 176.292 176.000 -0.077 0.000 0.957 216 Q CA 0.116 55.875 55.803 -0.073 0.000 0.919 216 Q CB 1.105 29.797 28.738 -0.077 0.000 1.185 216 Q HN 0.159 nan 8.270 nan 0.000 0.408 217 D N 1.334 121.681 120.400 -0.088 0.000 2.104 217 D HA -0.168 4.473 4.640 0.001 0.000 0.194 217 D C 1.527 177.768 176.300 -0.098 0.000 0.994 217 D CA 1.912 55.850 54.000 -0.103 0.000 0.830 217 D CB -0.003 40.712 40.800 -0.141 0.000 0.959 217 D HN 0.591 nan 8.370 nan 0.000 0.452 218 S N 0.278 115.920 115.700 -0.097 0.000 2.465 218 S HA -0.101 4.369 4.470 0.001 0.000 0.241 218 S C 2.120 176.685 174.600 -0.057 0.000 1.000 218 S CA 0.682 58.833 58.200 -0.082 0.000 0.964 218 S CB -0.383 62.770 63.200 -0.079 0.000 0.763 218 S HN 0.109 nan 8.310 nan 0.000 0.512 219 V N 1.766 121.645 119.914 -0.057 0.000 2.436 219 V HA 0.060 4.180 4.120 0.001 0.000 0.240 219 V C 2.802 178.877 176.094 -0.031 0.000 1.040 219 V CA 1.049 63.324 62.300 -0.042 0.000 1.052 219 V CB -0.547 31.245 31.823 -0.051 0.000 0.707 219 V HN 0.384 nan 8.190 nan 0.000 0.469 220 R N 0.089 120.562 120.500 -0.044 0.000 2.105 220 R HA -0.180 4.160 4.340 0.001 0.000 0.239 220 R C 2.334 178.625 176.300 -0.016 0.000 1.135 220 R CA 1.727 57.803 56.100 -0.041 0.000 0.967 220 R CB -0.731 29.537 30.300 -0.054 0.000 0.861 220 R HN 0.466 nan 8.270 nan 0.000 0.442 221 L N 1.261 122.470 121.223 -0.023 0.000 2.043 221 L HA -0.202 4.138 4.340 0.001 0.000 0.212 221 L C 1.972 178.862 176.870 0.033 0.000 1.075 221 L CA 1.556 56.394 54.840 -0.004 0.000 0.752 221 L CB -0.201 41.836 42.059 -0.036 0.000 0.891 221 L HN 0.195 nan 8.230 nan 0.000 0.432 222 L N -0.235 121.006 121.223 0.031 0.000 2.465 222 L HA -0.079 4.261 4.340 0.001 0.000 0.224 222 L C 2.721 179.646 176.870 0.092 0.000 1.145 222 L CA 0.532 55.406 54.840 0.056 0.000 0.834 222 L CB -0.761 41.325 42.059 0.045 0.000 0.944 222 L HN 0.347 nan 8.230 nan 0.000 0.451 223 A N -0.033 122.846 122.820 0.099 0.000 2.015 223 A HA -0.089 4.232 4.320 0.001 0.000 0.219 223 A C 2.327 180.061 177.584 0.250 0.000 1.163 223 A CA 1.171 53.320 52.037 0.186 0.000 0.646 223 A CB -0.513 18.544 19.000 0.095 0.000 0.806 223 A HN 0.186 nan 8.150 nan 0.000 0.448 224 V N 0.346 120.355 119.914 0.158 0.000 2.287 224 V HA -0.261 3.860 4.120 0.001 0.000 0.248 224 V C 2.654 178.814 176.094 0.109 0.000 1.053 224 V CA 2.244 64.629 62.300 0.142 0.000 1.027 224 V CB -0.664 31.222 31.823 0.106 0.000 0.646 224 V HN 0.672 nan 8.190 nan 0.000 0.447 225 E N 0.558 120.813 120.200 0.092 0.000 2.110 225 E HA -0.206 4.144 4.350 0.001 0.000 0.193 225 E C 2.221 178.841 176.600 0.035 0.000 0.988 225 E CA 1.572 58.008 56.400 0.059 0.000 0.804 225 E CB -0.158 29.579 29.700 0.063 0.000 0.745 225 E HN 0.540 nan 8.360 nan 0.000 0.458 226 A N 0.450 123.309 122.820 0.064 0.000 2.015 226 A HA -0.154 4.167 4.320 0.001 0.000 0.219 226 A C 2.569 180.045 177.584 -0.180 0.000 1.163 226 A CA 1.240 53.277 52.037 -0.001 0.000 0.646 226 A CB -1.050 18.015 19.000 0.109 0.000 0.806 226 A HN 0.500 nan 8.150 nan 0.000 0.448 227 C N -1.102 118.147 119.300 -0.085 0.000 2.446 227 C HA -0.025 4.436 4.460 0.001 0.000 0.277 227 C C 2.643 177.531 174.990 -0.170 0.000 1.275 227 C CA 1.230 60.118 59.018 -0.216 0.000 1.727 227 C CB -1.330 26.490 27.740 0.133 0.000 2.010 227 C HN 0.416 nan 8.230 nan 0.000 0.486 228 V N 1.835 121.700 119.914 -0.082 0.000 2.255 228 V HA -0.269 3.851 4.120 0.001 0.000 0.247 228 V C 2.160 178.196 176.094 -0.097 0.000 1.051 228 V CA 2.766 65.022 62.300 -0.073 0.000 1.018 228 V CB -1.065 30.736 31.823 -0.037 0.000 0.641 228 V HN 0.628 nan 8.190 nan 0.000 0.445 229 N N -0.028 118.612 118.700 -0.100 0.000 2.043 229 N HA -0.153 4.588 4.740 0.001 0.000 0.193 229 N C 1.870 177.292 175.510 -0.146 0.000 1.037 229 N CA 1.596 54.584 53.050 -0.102 0.000 0.851 229 N CB -0.258 38.179 38.487 -0.083 0.000 1.027 229 N HN 0.397 nan 8.380 nan 0.000 0.422 230 I N 1.233 121.667 120.570 -0.227 0.000 2.208 230 I HA -0.266 3.904 4.170 0.001 0.000 0.245 230 I C 2.477 178.476 176.117 -0.197 0.000 1.097 230 I CA 0.847 61.988 61.300 -0.266 0.000 1.363 230 I CB -0.386 37.326 38.000 -0.481 0.000 1.051 230 I HN 0.190 nan 8.210 nan 0.000 0.413 231 A N 0.184 122.897 122.820 -0.179 0.000 1.972 231 A HA -0.229 4.091 4.320 0.001 0.000 0.219 231 A C 2.186 179.715 177.584 -0.091 0.000 1.169 231 A CA 1.334 53.300 52.037 -0.119 0.000 0.635 231 A CB -0.537 18.404 19.000 -0.099 0.000 0.810 231 A HN 0.512 nan 8.150 nan 0.000 0.446 232 Q N -0.611 119.135 119.800 -0.090 0.000 2.437 232 Q HA 0.051 4.391 4.340 0.001 0.000 0.210 232 Q C 1.528 177.487 176.000 -0.068 0.000 0.972 232 Q CA 0.786 56.547 55.803 -0.070 0.000 0.903 232 Q CB -0.177 28.523 28.738 -0.062 0.000 0.967 232 Q HN 0.693 nan 8.270 nan 0.000 0.486 233 L N -0.402 120.771 121.223 -0.083 0.000 2.408 233 L HA 0.156 4.496 4.340 0.001 0.000 0.215 233 L C 0.715 177.543 176.870 -0.069 0.000 1.081 233 L CA -0.021 54.771 54.840 -0.079 0.000 0.840 233 L CB 0.195 42.195 42.059 -0.099 0.000 1.002 233 L HN 0.111 nan 8.230 nan 0.000 0.468 234 L N 0.335 121.516 121.223 -0.071 0.000 2.421 234 L HA 0.314 4.654 4.340 0.001 0.000 0.263 234 L C -2.072 174.772 176.870 -0.043 0.000 1.122 234 L CA -1.921 52.885 54.840 -0.056 0.000 0.804 234 L CB 0.234 42.260 42.059 -0.056 0.000 1.150 234 L HN -0.225 nan 8.230 nan 0.000 0.457 235 P HA 0.067 nan 4.420 nan 0.000 0.272 235 P C -0.071 177.213 177.300 -0.026 0.000 1.223 235 P CA -0.365 62.718 63.100 -0.028 0.000 0.784 235 P CB 0.683 32.369 31.700 -0.022 0.000 0.923 236 Q N 1.896 121.681 119.800 -0.024 0.000 2.152 236 Q HA -0.258 4.082 4.340 0.001 0.000 0.206 236 Q C 1.723 177.713 176.000 -0.016 0.000 0.985 236 Q CA 2.144 57.934 55.803 -0.021 0.000 0.863 236 Q CB -0.395 28.331 28.738 -0.020 0.000 0.904 236 Q HN 0.621 nan 8.270 nan 0.000 0.422 237 E N -1.087 119.105 120.200 -0.014 0.000 2.204 237 E HA -0.182 4.168 4.350 0.001 0.000 0.194 237 E C 0.758 177.354 176.600 -0.007 0.000 0.989 237 E CA 1.320 57.714 56.400 -0.009 0.000 0.824 237 E CB -0.056 29.639 29.700 -0.009 0.000 0.756 237 E HN 0.361 nan 8.360 nan 0.000 0.477 238 D N 0.761 121.155 120.400 -0.010 0.000 2.354 238 D HA 0.075 4.716 4.640 0.001 0.000 0.209 238 D C 2.049 178.347 176.300 -0.003 0.000 1.015 238 D CA 0.123 54.119 54.000 -0.007 0.000 0.867 238 D CB 0.211 41.005 40.800 -0.011 0.000 0.933 238 D HN 0.240 nan 8.370 nan 0.000 0.520 239 L N 1.002 122.220 121.223 -0.008 0.000 2.043 239 L HA -0.180 4.160 4.340 0.001 0.000 0.212 239 L C 2.388 179.264 176.870 0.011 0.000 1.075 239 L CA 1.106 55.944 54.840 -0.004 0.000 0.752 239 L CB -0.322 41.730 42.059 -0.013 0.000 0.891 239 L HN -0.077 nan 8.230 nan 0.000 0.432 240 E N 0.097 120.303 120.200 0.009 0.000 2.110 240 E HA -0.179 4.172 4.350 0.001 0.000 0.193 240 E C 2.129 178.741 176.600 0.020 0.000 0.988 240 E CA 1.476 57.885 56.400 0.015 0.000 0.804 240 E CB -0.036 29.670 29.700 0.011 0.000 0.745 240 E HN 0.495 nan 8.360 nan 0.000 0.458 241 A N -0.403 122.428 122.820 0.018 0.000 2.095 241 A HA 0.134 4.455 4.320 0.001 0.000 0.212 241 A C 2.073 179.676 177.584 0.032 0.000 1.162 241 A CA 0.210 52.260 52.037 0.021 0.000 0.753 241 A CB 0.091 19.100 19.000 0.015 0.000 0.840 241 A HN 0.139 nan 8.150 nan 0.000 0.468 242 L N -1.879 119.367 121.223 0.038 0.000 2.467 242 L HA 0.125 4.465 4.340 0.001 0.000 0.213 242 L C 1.990 178.927 176.870 0.111 0.000 1.053 242 L CA 0.338 55.215 54.840 0.061 0.000 0.847 242 L CB 0.057 42.141 42.059 0.042 0.000 1.075 242 L HN 0.153 nan 8.230 nan 0.000 0.479 243 V N -0.994 118.977 119.914 0.095 0.000 2.599 243 V HA -0.046 4.075 4.120 0.001 0.000 0.237 243 V C 2.378 178.552 176.094 0.133 0.000 1.081 243 V CA 0.511 62.904 62.300 0.155 0.000 1.107 243 V CB -0.035 31.827 31.823 0.066 0.000 0.808 243 V HN 0.180 nan 8.190 nan 0.000 0.486 244 M N 0.066 119.709 119.600 0.071 0.000 2.128 244 M HA -0.189 4.291 4.480 0.001 0.000 0.253 244 M C -0.005 176.326 176.300 0.052 0.000 1.079 244 M CA 2.310 57.642 55.300 0.053 0.000 1.082 244 M CB -2.718 29.902 32.600 0.034 0.000 1.335 244 M HN 0.243 nan 8.290 nan 0.000 0.401 245 P HA -0.101 nan 4.420 nan 0.000 0.215 245 P C 1.579 178.890 177.300 0.017 0.000 1.157 245 P CA 1.614 64.730 63.100 0.027 0.000 0.868 245 P CB -0.251 31.461 31.700 0.021 0.000 0.788 246 T N -0.267 114.300 114.554 0.021 0.000 2.821 246 T HA -0.115 4.235 4.350 0.001 0.000 0.267 246 T C 1.655 176.363 174.700 0.013 0.000 1.046 246 T CA 0.822 62.901 62.100 -0.036 0.000 1.139 246 T CB -0.875 67.913 68.868 -0.134 0.000 0.871 246 T HN -0.023 nan 8.240 nan 0.000 0.454 247 L N 1.610 122.881 121.223 0.080 0.000 2.046 247 L HA 0.016 4.357 4.340 0.001 0.000 0.208 247 L C 2.370 179.274 176.870 0.056 0.000 1.077 247 L CA 1.642 56.531 54.840 0.083 0.000 0.747 247 L CB -0.541 41.564 42.059 0.078 0.000 0.896 247 L HN 0.088 nan 8.230 nan 0.000 0.432 248 R N -0.979 119.549 120.500 0.046 0.000 2.115 248 R HA -0.184 4.156 4.340 0.001 0.000 0.230 248 R C 2.232 178.554 176.300 0.036 0.000 1.111 248 R CA 1.405 57.532 56.100 0.046 0.000 0.976 248 R CB -0.439 29.884 30.300 0.039 0.000 0.870 248 R HN 0.564 nan 8.270 nan 0.000 0.445 249 Q N 0.644 120.455 119.800 0.018 0.000 2.124 249 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 249 Q C 1.996 178.002 176.000 0.009 0.000 0.977 249 Q CA 1.595 57.400 55.803 0.002 0.000 0.850 249 Q CB -0.013 28.709 28.738 -0.026 0.000 0.901 249 Q HN 0.383 nan 8.270 nan 0.000 0.429 250 A N 0.496 123.327 122.820 0.019 0.000 1.897 250 A HA -0.023 4.298 4.320 0.001 0.000 0.215 250 A C 2.234 179.853 177.584 0.059 0.000 1.181 250 A CA 1.365 53.422 52.037 0.034 0.000 0.620 250 A CB -0.783 18.247 19.000 0.050 0.000 0.821 250 A HN 0.518 nan 8.150 nan 0.000 0.443 251 A N -0.034 122.830 122.820 0.074 0.000 2.019 251 A HA -0.116 4.204 4.320 0.001 0.000 0.219 251 A C 1.647 179.272 177.584 0.069 0.000 1.164 251 A CA 1.548 53.641 52.037 0.093 0.000 0.644 251 A CB -0.353 18.717 19.000 0.116 0.000 0.805 251 A HN 0.642 nan 8.150 nan 0.000 0.449 252 E N 0.059 120.289 120.200 0.051 0.000 2.501 252 E HA 0.055 4.406 4.350 0.001 0.000 0.201 252 E C -0.370 176.251 176.600 0.035 0.000 1.016 252 E CA -0.451 55.973 56.400 0.040 0.000 0.920 252 E CB 0.205 29.923 29.700 0.030 0.000 1.023 252 E HN 0.497 nan 8.360 nan 0.000 0.474 253 D N 2.559 122.980 120.400 0.035 0.000 2.583 253 D HA -0.109 4.531 4.640 0.001 0.000 0.232 253 D C 1.140 177.460 176.300 0.033 0.000 1.128 253 D CA 0.458 54.472 54.000 0.023 0.000 0.859 253 D CB 0.933 41.743 40.800 0.016 0.000 1.169 253 D HN 0.195 nan 8.370 nan 0.000 0.481 254 K N 1.406 121.818 120.400 0.019 0.000 2.211 254 K HA -0.132 4.188 4.320 0.001 0.000 0.204 254 K C 0.959 177.583 176.600 0.040 0.000 1.047 254 K CA 0.450 56.753 56.287 0.028 0.000 0.935 254 K CB -0.026 32.481 32.500 0.011 0.000 0.728 254 K HN 0.134 nan 8.250 nan 0.000 0.452 255 S N 1.502 117.206 115.700 0.007 0.000 2.489 255 S HA 0.082 4.552 4.470 0.001 0.000 0.277 255 S C 0.899 175.499 174.600 0.001 0.000 1.230 255 S CA -1.073 57.099 58.200 -0.045 0.000 1.053 255 S CB 0.257 63.383 63.200 -0.123 0.000 0.955 255 S HN 0.533 nan 8.310 nan 0.000 0.488 256 W N 5.858 127.163 121.300 0.009 0.000 2.519 256 W HA -0.034 4.627 4.660 0.002 0.000 0.266 256 W C 1.176 177.730 176.519 0.060 0.000 1.253 256 W CA 0.049 57.411 57.345 0.029 0.000 1.274 256 W CB -0.607 28.861 29.460 0.014 0.000 1.114 256 W HN 0.695 nan 8.180 nan 0.000 0.596 257 R N 1.062 121.170 120.500 -0.653 0.000 2.105 257 R HA -0.143 4.198 4.340 0.001 0.000 0.239 257 R C 2.558 178.804 176.300 -0.090 0.000 1.135 257 R CA 2.000 57.736 56.100 -0.607 0.000 0.967 257 R CB -0.636 29.215 30.300 -0.749 0.000 0.861 257 R HN 0.220 nan 8.270 nan 0.000 0.442 258 V N 0.723 120.608 119.914 -0.048 0.000 2.535 258 V HA -0.121 3.999 4.120 0.001 0.000 0.246 258 V C 1.890 178.056 176.094 0.119 0.000 1.045 258 V CA 1.272 63.595 62.300 0.039 0.000 1.058 258 V CB -0.177 31.647 31.823 0.002 0.000 0.689 258 V HN 0.225 nan 8.190 nan 0.000 0.461 259 R N -1.068 119.520 120.500 0.147 0.000 2.120 259 R HA -0.167 4.174 4.340 0.001 0.000 0.234 259 R C 2.204 178.626 176.300 0.204 0.000 1.123 259 R CA 1.948 58.146 56.100 0.163 0.000 0.975 259 R CB -0.679 29.719 30.300 0.165 0.000 0.866 259 R HN 0.734 nan 8.270 nan 0.000 0.446 260 Y N 1.220 121.616 120.300 0.160 0.000 2.181 260 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 260 Y C 2.281 178.262 175.900 0.135 0.000 1.146 260 Y CA 1.478 59.685 58.100 0.179 0.000 1.164 260 Y CB 0.011 38.632 38.460 0.268 0.000 0.982 260 Y HN -0.119 nan 8.280 nan 0.000 0.515 261 M N -0.780 118.977 119.600 0.262 0.000 2.213 261 M HA -0.177 4.303 4.480 0.001 0.000 0.263 261 M C 2.136 178.492 176.300 0.093 0.000 1.062 261 M CA 1.021 56.418 55.300 0.162 0.000 1.105 261 M CB -1.312 31.386 32.600 0.163 0.000 1.385 261 M HN 0.239 nan 8.290 nan 0.000 0.417 262 V N 0.536 120.523 119.914 0.120 0.000 2.295 262 V HA -0.257 3.864 4.120 0.001 0.000 0.246 262 V C 2.709 178.955 176.094 0.254 0.000 1.049 262 V CA 1.908 64.311 62.300 0.170 0.000 1.024 262 V CB -1.361 30.581 31.823 0.198 0.000 0.648 262 V HN 0.478 nan 8.190 nan 0.000 0.447 263 A N -0.299 122.596 122.820 0.124 0.000 1.845 263 A HA -0.319 4.001 4.320 0.001 0.000 0.215 263 A C 2.230 179.828 177.584 0.023 0.000 1.195 263 A CA 1.979 54.040 52.037 0.041 0.000 0.616 263 A CB -0.913 17.985 19.000 -0.171 0.000 0.832 263 A HN 0.590 nan 8.150 nan 0.000 0.443 264 D N -0.781 119.524 120.400 -0.158 0.000 2.203 264 D HA -0.176 4.465 4.640 0.001 0.000 0.199 264 D C 0.728 177.043 176.300 0.025 0.000 0.997 264 D CA 1.333 55.261 54.000 -0.120 0.000 0.863 264 D CB 0.071 40.768 40.800 -0.172 0.000 0.928 264 D HN 0.242 nan 8.370 nan 0.000 0.458 265 K N -0.659 119.784 120.400 0.072 0.000 2.514 265 K HA 0.133 4.453 4.320 0.001 0.000 0.207 265 K C 0.678 177.335 176.600 0.095 0.000 1.035 265 K CA -0.393 55.939 56.287 0.075 0.000 1.113 265 K CB -0.345 32.187 32.500 0.054 0.000 0.846 265 K HN 0.020 nan 8.250 nan 0.000 0.491 266 F N 0.642 120.587 119.950 -0.009 0.000 2.161 266 F HA -0.234 4.294 4.527 0.001 0.000 0.300 266 F C 1.743 177.545 175.800 0.003 0.000 1.089 266 F CA 1.647 59.640 58.000 -0.010 0.000 1.282 266 F CB 0.046 39.032 39.000 -0.024 0.000 1.010 266 F HN 0.056 nan 8.300 nan 0.000 0.485 267 T N -0.776 113.863 114.554 0.140 0.000 2.857 267 T HA -0.140 4.211 4.350 0.001 0.000 0.266 267 T C 1.631 176.339 174.700 0.013 0.000 1.048 267 T CA 1.492 63.642 62.100 0.084 0.000 1.139 267 T CB -0.173 68.732 68.868 0.062 0.000 0.874 267 T HN 0.142 nan 8.240 nan 0.000 0.455 268 E N 1.227 121.427 120.200 0.001 0.000 2.106 268 E HA 0.037 4.388 4.350 0.001 0.000 0.192 268 E C 2.098 178.666 176.600 -0.053 0.000 0.984 268 E CA 0.625 57.014 56.400 -0.019 0.000 0.806 268 E CB -0.494 29.202 29.700 -0.007 0.000 0.750 268 E HN 0.400 nan 8.360 nan 0.000 0.458 269 L N 0.469 121.634 121.223 -0.095 0.000 2.093 269 L HA -0.195 4.145 4.340 0.001 0.000 0.208 269 L C 2.694 179.474 176.870 -0.150 0.000 1.085 269 L CA 1.278 56.028 54.840 -0.150 0.000 0.755 269 L CB -0.382 41.519 42.059 -0.265 0.000 0.904 269 L HN 0.197 nan 8.230 nan 0.000 0.435 270 Q N 0.618 120.332 119.800 -0.143 0.000 2.061 270 Q HA -0.250 4.091 4.340 0.001 0.000 0.204 270 Q C 2.186 178.156 176.000 -0.050 0.000 0.984 270 Q CA 1.774 57.537 55.803 -0.066 0.000 0.846 270 Q CB 0.111 28.877 28.738 0.047 0.000 0.902 270 Q HN 0.430 nan 8.270 nan 0.000 0.421 271 K N -0.276 120.098 120.400 -0.043 0.000 2.057 271 K HA -0.091 4.229 4.320 0.001 0.000 0.206 271 K C 2.098 178.670 176.600 -0.046 0.000 1.050 271 K CA 1.044 57.306 56.287 -0.041 0.000 0.935 271 K CB -0.150 32.331 32.500 -0.032 0.000 0.715 271 K HN 0.227 nan 8.250 nan 0.000 0.439 272 A N 1.020 123.808 122.820 -0.053 0.000 1.873 272 A HA -0.116 4.204 4.320 0.001 0.000 0.215 272 A C 2.308 179.858 177.584 -0.056 0.000 1.186 272 A CA 1.326 53.329 52.037 -0.056 0.000 0.616 272 A CB -0.735 18.226 19.000 -0.064 0.000 0.823 272 A HN 0.141 nan 8.150 nan 0.000 0.442 273 V N -0.875 119.001 119.914 -0.062 0.000 2.626 273 V HA 0.291 4.412 4.120 0.001 0.000 0.252 273 V C 1.157 177.226 176.094 -0.041 0.000 1.067 273 V CA 1.672 63.940 62.300 -0.053 0.000 1.081 273 V CB -0.901 30.885 31.823 -0.062 0.000 0.686 273 V HN 1.520 nan 8.190 nan 0.000 0.468 274 G N -0.799 107.976 108.800 -0.042 0.000 2.712 274 G HA2 -0.111 3.850 3.960 0.001 0.000 0.686 274 G HA3 -0.111 3.850 3.960 0.001 0.000 0.686 274 G C -1.413 173.466 174.900 -0.034 0.000 1.181 274 G CA -0.189 44.889 45.100 -0.036 0.000 0.762 274 G HN 0.190 nan 8.290 nan 0.000 0.641 275 P HA -0.221 nan 4.420 nan 0.000 0.215 275 P C 1.346 178.627 177.300 -0.032 0.000 1.163 275 P CA 2.045 65.118 63.100 -0.045 0.000 0.894 275 P CB 0.117 31.788 31.700 -0.049 0.000 0.791 276 E N -0.104 120.082 120.200 -0.023 0.000 2.058 276 E HA -0.163 4.187 4.350 0.001 0.000 0.194 276 E C 2.242 178.842 176.600 -0.001 0.000 0.997 276 E CA 1.117 57.509 56.400 -0.013 0.000 0.801 276 E CB -0.412 29.281 29.700 -0.011 0.000 0.746 276 E HN 0.191 nan 8.360 nan 0.000 0.450 277 I N 1.142 121.711 120.570 -0.002 0.000 2.315 277 I HA -0.230 3.940 4.170 0.001 0.000 0.248 277 I C 2.847 178.979 176.117 0.025 0.000 1.117 277 I CA 1.491 62.796 61.300 0.008 0.000 1.404 277 I CB -0.635 37.363 38.000 -0.003 0.000 1.071 277 I HN 0.327 nan 8.210 nan 0.000 0.419 278 T N -0.694 113.874 114.554 0.023 0.000 2.746 278 T HA -0.274 4.077 4.350 0.001 0.000 0.267 278 T C 1.926 176.691 174.700 0.109 0.000 1.039 278 T CA 1.548 63.693 62.100 0.075 0.000 1.142 278 T CB -0.345 68.560 68.868 0.062 0.000 0.866 278 T HN 0.286 nan 8.240 nan 0.000 0.444 279 K N 0.582 121.012 120.400 0.050 0.000 2.103 279 K HA -0.119 4.201 4.320 0.001 0.000 0.207 279 K C 2.249 178.890 176.600 0.069 0.000 1.048 279 K CA 1.833 58.148 56.287 0.047 0.000 0.930 279 K CB -0.358 32.148 32.500 0.010 0.000 0.716 279 K HN 0.440 nan 8.250 nan 0.000 0.444 280 T N 0.515 115.104 114.554 0.058 0.000 2.852 280 T HA -0.018 4.333 4.350 0.001 0.000 0.256 280 T C 1.009 175.754 174.700 0.075 0.000 1.038 280 T CA 1.168 63.301 62.100 0.056 0.000 1.141 280 T CB 0.012 68.902 68.868 0.037 0.000 0.869 280 T HN 0.281 nan 8.240 nan 0.000 0.439 281 D N 0.536 120.985 120.400 0.082 0.000 2.525 281 D HA 0.222 4.863 4.640 0.001 0.000 0.248 281 D C 2.191 178.578 176.300 0.145 0.000 1.000 281 D CA 0.240 54.295 54.000 0.092 0.000 0.923 281 D CB 0.106 40.943 40.800 0.061 0.000 1.101 281 D HN 0.235 nan 8.370 nan 0.000 0.493 282 L N 1.233 122.557 121.223 0.167 0.000 2.141 282 L HA -0.091 4.249 4.340 0.001 0.000 0.209 282 L C 2.547 179.677 176.870 0.434 0.000 1.094 282 L CA 0.561 55.567 54.840 0.277 0.000 0.763 282 L CB -0.375 41.795 42.059 0.184 0.000 0.908 282 L HN -0.093 nan 8.230 nan 0.000 0.437 283 V N 0.844 120.998 119.914 0.399 0.000 2.220 283 V HA -0.190 3.930 4.120 0.001 0.000 0.246 283 V C 0.038 176.299 176.094 0.279 0.000 1.049 283 V CA 2.349 64.891 62.300 0.404 0.000 1.003 283 V CB -1.919 30.067 31.823 0.271 0.000 0.634 283 V HN 0.379 nan 8.190 nan 0.000 0.444 284 P HA -0.131 nan 4.420 nan 0.000 0.218 284 P C 1.589 178.960 177.300 0.119 0.000 1.149 284 P CA 2.131 65.309 63.100 0.131 0.000 0.817 284 P CB -0.046 31.713 31.700 0.098 0.000 0.785 285 A N -0.215 122.710 122.820 0.174 0.000 1.902 285 A HA -0.190 4.131 4.320 0.001 0.000 0.217 285 A C 2.146 179.779 177.584 0.082 0.000 1.181 285 A CA 1.318 53.460 52.037 0.174 0.000 0.623 285 A CB -1.871 17.308 19.000 0.298 0.000 0.818 285 A HN 0.100 nan 8.150 nan 0.000 0.443 286 F N 0.879 120.752 119.950 -0.127 0.000 2.126 286 F HA -0.211 4.317 4.527 0.001 0.000 0.299 286 F C 2.554 178.162 175.800 -0.320 0.000 1.096 286 F CA 2.120 59.782 58.000 -0.564 0.000 1.255 286 F CB -0.396 38.104 39.000 -0.834 0.000 0.997 286 F HN 0.346 nan 8.300 nan 0.000 0.479 287 Q N -0.187 119.551 119.800 -0.104 0.000 2.050 287 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 287 Q C 2.001 177.892 176.000 -0.182 0.000 0.980 287 Q CA 1.535 57.260 55.803 -0.131 0.000 0.840 287 Q CB -0.445 28.291 28.738 -0.004 0.000 0.898 287 Q HN 0.451 nan 8.270 nan 0.000 0.424 288 N N 0.790 119.416 118.700 -0.123 0.000 2.149 288 N HA -0.141 4.599 4.740 0.001 0.000 0.188 288 N C 1.906 177.318 175.510 -0.164 0.000 1.019 288 N CA 1.044 54.032 53.050 -0.103 0.000 0.857 288 N CB -0.201 38.259 38.487 -0.044 0.000 0.997 288 N HN 0.242 nan 8.380 nan 0.000 0.426 289 L N 0.649 121.713 121.223 -0.266 0.000 2.056 289 L HA -0.041 4.299 4.340 0.001 0.000 0.207 289 L C 2.344 178.996 176.870 -0.363 0.000 1.078 289 L CA 0.863 55.511 54.840 -0.320 0.000 0.749 289 L CB -0.303 41.475 42.059 -0.468 0.000 0.901 289 L HN 0.127 nan 8.230 nan 0.000 0.433 290 M N -0.637 118.673 119.600 -0.484 0.000 2.460 290 M HA -0.164 4.316 4.480 0.001 0.000 0.263 290 M C 1.226 177.395 176.300 -0.218 0.000 1.071 290 M CA 1.509 56.578 55.300 -0.385 0.000 1.096 290 M CB -0.064 32.293 32.600 -0.405 0.000 1.408 290 M HN 0.133 nan 8.290 nan 0.000 0.463 291 K N -0.485 119.806 120.400 -0.181 0.000 2.414 291 K HA 0.115 4.436 4.320 0.001 0.000 0.204 291 K C 0.006 176.548 176.600 -0.097 0.000 1.026 291 K CA -0.210 56.008 56.287 -0.116 0.000 1.108 291 K CB 0.381 32.827 32.500 -0.090 0.000 0.855 291 K HN 0.200 nan 8.250 nan 0.000 0.517 292 D N 0.881 121.216 120.400 -0.110 0.000 2.443 292 D HA -0.093 4.547 4.640 0.001 0.000 0.234 292 D C 1.262 177.516 176.300 -0.077 0.000 1.172 292 D CA 0.150 54.103 54.000 -0.078 0.000 0.878 292 D CB 1.053 41.810 40.800 -0.071 0.000 1.204 292 D HN 0.323 nan 8.370 nan 0.000 0.453 293 C N 1.974 121.236 119.300 -0.062 0.000 2.456 293 C HA 0.173 4.634 4.460 0.001 0.000 0.279 293 C C 0.568 175.486 174.990 -0.120 0.000 1.427 293 C CA -0.448 58.527 59.018 -0.072 0.000 1.778 293 C CB -0.443 27.269 27.740 -0.047 0.000 1.842 293 C HN 0.375 nan 8.230 nan 0.000 0.531 294 E N 0.849 120.955 120.200 -0.157 0.000 2.109 294 E HA 0.469 4.820 4.350 0.001 0.000 0.278 294 E C 0.995 177.438 176.600 -0.262 0.000 0.954 294 E CA 0.373 56.594 56.400 -0.298 0.000 0.779 294 E CB 1.672 31.074 29.700 -0.496 0.000 1.093 294 E HN 0.415 nan 8.360 nan 0.000 0.401 295 A N 4.093 126.759 122.820 -0.257 0.000 1.948 295 A HA -0.276 4.044 4.320 0.001 0.000 0.220 295 A C 1.739 179.216 177.584 -0.177 0.000 1.177 295 A CA 1.835 53.760 52.037 -0.188 0.000 0.636 295 A CB -0.272 18.624 19.000 -0.173 0.000 0.815 295 A HN 0.553 nan 8.150 nan 0.000 0.449 296 E N -0.477 119.552 120.200 -0.285 0.000 2.118 296 E HA -0.116 4.235 4.350 0.001 0.000 0.195 296 E C 1.891 178.556 176.600 0.107 0.000 0.992 296 E CA 1.294 57.605 56.400 -0.148 0.000 0.804 296 E CB -0.377 29.091 29.700 -0.387 0.000 0.741 296 E HN 0.406 nan 8.360 nan 0.000 0.458 297 V N 0.792 120.728 119.914 0.038 0.000 2.323 297 V HA -0.213 3.907 4.120 0.001 0.000 0.244 297 V C 2.189 178.258 176.094 -0.041 0.000 1.041 297 V CA 1.722 64.077 62.300 0.092 0.000 1.025 297 V CB -0.415 31.445 31.823 0.061 0.000 0.656 297 V HN 0.190 nan 8.190 nan 0.000 0.451 298 R N 0.291 120.742 120.500 -0.083 0.000 2.091 298 R HA -0.187 4.154 4.340 0.001 0.000 0.238 298 R C 2.438 178.691 176.300 -0.078 0.000 1.136 298 R CA 1.607 57.638 56.100 -0.115 0.000 0.959 298 R CB -0.712 29.525 30.300 -0.104 0.000 0.856 298 R HN 0.540 nan 8.270 nan 0.000 0.437 299 A N 1.342 124.148 122.820 -0.024 0.000 1.908 299 A HA -0.145 4.175 4.320 0.001 0.000 0.218 299 A C 2.410 180.021 177.584 0.044 0.000 1.181 299 A CA 1.807 53.859 52.037 0.026 0.000 0.627 299 A CB -0.646 18.392 19.000 0.063 0.000 0.818 299 A HN 0.417 nan 8.150 nan 0.000 0.445 300 A N -0.270 122.566 122.820 0.028 0.000 1.902 300 A HA 0.172 4.492 4.320 0.001 0.000 0.217 300 A C 2.506 180.063 177.584 -0.045 0.000 1.181 300 A CA 2.104 54.121 52.037 -0.033 0.000 0.623 300 A CB -0.990 17.825 19.000 -0.307 0.000 0.818 300 A HN 1.048 nan 8.150 nan 0.000 0.443 301 A N -0.573 122.163 122.820 -0.141 0.000 1.877 301 A HA -0.064 4.256 4.320 0.001 0.000 0.216 301 A C 2.435 179.974 177.584 -0.075 0.000 1.186 301 A CA 2.012 53.893 52.037 -0.261 0.000 0.620 301 A CB -0.992 17.651 19.000 -0.595 0.000 0.822 301 A HN 0.442 nan 8.150 nan 0.000 0.443 302 S N -1.219 114.451 115.700 -0.050 0.000 2.365 302 S HA -0.257 4.214 4.470 0.001 0.000 0.225 302 S C 1.842 176.533 174.600 0.153 0.000 1.039 302 S CA 1.474 59.700 58.200 0.043 0.000 1.033 302 S CB -0.654 62.564 63.200 0.030 0.000 0.887 302 S HN 0.805 nan 8.310 nan 0.000 0.447 303 H N 0.394 119.489 119.070 0.042 0.000 2.543 303 H HA 0.034 4.590 4.556 0.001 0.000 0.286 303 H C 1.066 176.448 175.328 0.089 0.000 1.037 303 H CA 0.698 56.782 56.048 0.060 0.000 1.250 303 H CB 0.174 29.965 29.762 0.048 0.000 1.373 303 H HN 0.093 nan 8.280 nan 0.000 0.580 304 K N 0.319 120.776 120.400 0.096 0.000 2.353 304 K HA 0.056 4.376 4.320 0.001 0.000 0.195 304 K C 2.003 178.685 176.600 0.137 0.000 1.031 304 K CA 0.081 56.403 56.287 0.059 0.000 1.079 304 K CB 0.462 33.035 32.500 0.123 0.000 0.857 304 K HN 0.115 nan 8.250 nan 0.000 0.535 305 V N 2.102 122.159 119.914 0.239 0.000 2.233 305 V HA -0.357 3.764 4.120 0.001 0.000 0.252 305 V C 2.565 178.736 176.094 0.129 0.000 1.063 305 V CA 2.242 64.685 62.300 0.238 0.000 1.032 305 V CB -0.438 31.508 31.823 0.205 0.000 0.645 305 V HN 0.381 nan 8.190 nan 0.000 0.446 306 K N -0.596 119.857 120.400 0.088 0.000 2.002 306 K HA -0.226 4.094 4.320 0.001 0.000 0.209 306 K C 2.277 178.891 176.600 0.022 0.000 1.048 306 K CA 1.819 58.134 56.287 0.048 0.000 0.930 306 K CB -0.241 32.284 32.500 0.042 0.000 0.714 306 K HN 0.472 nan 8.250 nan 0.000 0.438 307 E N 0.200 120.411 120.200 0.018 0.000 2.035 307 E HA -0.246 4.104 4.350 0.001 0.000 0.204 307 E C 1.904 178.517 176.600 0.022 0.000 1.025 307 E CA 1.599 58.004 56.400 0.009 0.000 0.835 307 E CB -0.480 29.220 29.700 0.000 0.000 0.764 307 E HN 0.310 nan 8.360 nan 0.000 0.457 308 F N 1.369 121.223 119.950 -0.160 0.000 2.091 308 F HA -0.287 4.240 4.527 0.001 0.000 0.299 308 F C 2.592 178.293 175.800 -0.164 0.000 1.103 308 F CA 1.375 59.237 58.000 -0.230 0.000 1.228 308 F CB -0.659 37.996 39.000 -0.576 0.000 0.984 308 F HN 0.074 nan 8.300 nan 0.000 0.477 309 C N 0.399 119.608 119.300 -0.152 0.000 2.432 309 C HA -0.171 4.289 4.460 0.001 0.000 0.277 309 C C 2.513 177.398 174.990 -0.174 0.000 1.249 309 C CA 1.245 60.145 59.018 -0.196 0.000 1.725 309 C CB -1.326 26.381 27.740 -0.054 0.000 2.028 309 C HN 0.489 nan 8.230 nan 0.000 0.477 310 E N 0.937 121.075 120.200 -0.104 0.000 2.455 310 E HA -0.134 4.216 4.350 0.001 0.000 0.202 310 E C 0.921 177.457 176.600 -0.106 0.000 1.045 310 E CA 0.653 57.003 56.400 -0.083 0.000 0.872 310 E CB -0.175 29.496 29.700 -0.048 0.000 0.792 310 E HN 0.666 nan 8.360 nan 0.000 0.542 311 N N -0.041 118.562 118.700 -0.161 0.000 2.177 311 N HA 0.116 4.856 4.740 0.001 0.000 0.218 311 N C 0.014 175.395 175.510 -0.214 0.000 1.182 311 N CA 0.048 53.003 53.050 -0.159 0.000 0.882 311 N CB 0.908 39.319 38.487 -0.126 0.000 1.052 311 N HN 0.086 nan 8.380 nan 0.000 0.519 312 L N 1.253 122.312 121.223 -0.274 0.000 2.453 312 L HA 0.179 4.519 4.340 0.001 0.000 0.261 312 L C 1.050 177.826 176.870 -0.157 0.000 1.179 312 L CA -0.365 54.315 54.840 -0.268 0.000 0.813 312 L CB 0.579 42.454 42.059 -0.307 0.000 1.110 312 L HN 0.057 nan 8.230 nan 0.000 0.466 313 S N 0.556 116.181 115.700 -0.125 0.000 2.565 313 S HA 0.293 4.763 4.470 0.001 0.000 0.274 313 S C 0.985 175.542 174.600 -0.072 0.000 1.309 313 S CA -0.279 57.870 58.200 -0.084 0.000 1.043 313 S CB 1.627 64.787 63.200 -0.066 0.000 0.939 313 S HN 0.708 nan 8.310 nan 0.000 0.504 314 A N 1.867 124.653 122.820 -0.058 0.000 2.093 314 A HA -0.191 4.130 4.320 0.001 0.000 0.222 314 A C 1.718 179.278 177.584 -0.040 0.000 1.162 314 A CA 2.116 54.125 52.037 -0.047 0.000 0.655 314 A CB -1.338 17.640 19.000 -0.037 0.000 0.805 314 A HN 1.049 nan 8.150 nan 0.000 0.461 315 D N -0.767 119.609 120.400 -0.040 0.000 2.190 315 D HA -0.189 4.452 4.640 0.001 0.000 0.200 315 D C 1.404 177.686 176.300 -0.031 0.000 0.992 315 D CA 2.087 56.068 54.000 -0.032 0.000 0.854 315 D CB -0.280 40.502 40.800 -0.031 0.000 0.936 315 D HN 0.668 nan 8.370 nan 0.000 0.462 316 C N -3.031 116.244 119.300 -0.042 0.000 4.095 316 C HA 0.481 4.941 4.460 0.001 0.000 0.327 316 C C 2.002 176.961 174.990 -0.051 0.000 1.811 316 C CA -0.569 58.427 59.018 -0.037 0.000 1.785 316 C CB -0.887 26.834 27.740 -0.032 0.000 3.120 316 C HN 0.175 nan 8.230 nan 0.000 0.621 317 R N 2.125 122.586 120.500 -0.065 0.000 2.154 317 R HA -0.219 4.121 4.340 0.001 0.000 0.236 317 R C 1.692 177.958 176.300 -0.057 0.000 1.121 317 R CA 2.595 58.647 56.100 -0.079 0.000 0.915 317 R CB -0.332 29.924 30.300 -0.072 0.000 0.856 317 R HN 0.707 nan 8.270 nan 0.000 0.431 318 E N -0.534 119.642 120.200 -0.039 0.000 2.502 318 E HA -0.029 4.321 4.350 0.001 0.000 0.194 318 E C 0.935 177.523 176.600 -0.020 0.000 1.062 318 E CA -0.090 56.295 56.400 -0.026 0.000 0.867 318 E CB 0.217 29.906 29.700 -0.018 0.000 0.888 318 E HN 0.421 nan 8.360 nan 0.000 0.510 319 N N 0.159 118.846 118.700 -0.022 0.000 2.426 319 N HA -0.093 4.647 4.740 0.001 0.000 0.205 319 N C 2.156 177.660 175.510 -0.009 0.000 1.040 319 N CA 1.287 54.328 53.050 -0.014 0.000 0.990 319 N CB -0.596 37.884 38.487 -0.011 0.000 1.215 319 N HN 0.083 nan 8.380 nan 0.000 0.491 320 V N 0.532 120.444 119.914 -0.004 0.000 2.546 320 V HA -0.119 4.001 4.120 0.001 0.000 0.254 320 V C 2.159 178.266 176.094 0.023 0.000 1.076 320 V CA 1.232 63.541 62.300 0.016 0.000 1.087 320 V CB -0.889 30.952 31.823 0.029 0.000 0.674 320 V HN 0.264 nan 8.190 nan 0.000 0.470 321 I N -0.873 119.699 120.570 0.003 0.000 2.202 321 I HA -0.173 3.997 4.170 0.001 0.000 0.242 321 I C 2.551 178.665 176.117 -0.005 0.000 1.091 321 I CA 1.868 63.173 61.300 0.009 0.000 1.368 321 I CB 0.028 38.021 38.000 -0.012 0.000 1.058 321 I HN 0.232 nan 8.210 nan 0.000 0.410 322 M N -0.497 119.087 119.600 -0.028 0.000 2.349 322 M HA -0.098 4.383 4.480 0.001 0.000 0.266 322 M C 2.459 178.719 176.300 -0.067 0.000 1.076 322 M CA 1.159 56.417 55.300 -0.070 0.000 1.126 322 M CB -0.983 31.574 32.600 -0.071 0.000 1.392 322 M HN 0.279 nan 8.290 nan 0.000 0.440 323 S N -0.107 115.576 115.700 -0.028 0.000 2.356 323 S HA -0.059 4.411 4.470 0.001 0.000 0.219 323 S C 1.765 176.365 174.600 0.000 0.000 1.036 323 S CA 1.036 59.227 58.200 -0.015 0.000 0.965 323 S CB 0.263 63.462 63.200 -0.002 0.000 0.864 323 S HN 0.545 nan 8.310 nan 0.000 0.471 324 Q N -0.449 119.365 119.800 0.024 0.000 2.431 324 Q HA 0.392 4.732 4.340 0.001 0.000 0.244 324 Q C 2.021 178.055 176.000 0.057 0.000 0.880 324 Q CA 0.275 56.103 55.803 0.042 0.000 0.954 324 Q CB 0.164 28.941 28.738 0.066 0.000 1.105 324 Q HN 0.461 nan 8.270 nan 0.000 0.558 325 I N 0.589 121.205 120.570 0.077 0.000 2.162 325 I HA -0.213 3.958 4.170 0.001 0.000 0.238 325 I C 2.160 178.311 176.117 0.056 0.000 1.076 325 I CA 0.605 61.966 61.300 0.103 0.000 1.353 325 I CB -0.229 37.857 38.000 0.144 0.000 1.063 325 I HN 0.200 nan 8.210 nan 0.000 0.408 326 L N 2.920 124.157 121.223 0.024 0.000 2.034 326 L HA -0.177 4.164 4.340 0.001 0.000 0.217 326 L C -0.438 176.432 176.870 0.000 0.000 1.077 326 L CA 2.505 57.344 54.840 -0.001 0.000 0.769 326 L CB -1.799 40.220 42.059 -0.066 0.000 0.890 326 L HN 0.113 nan 8.230 nan 0.000 0.435 327 P HA -0.124 nan 4.420 nan 0.000 0.218 327 P C 1.913 179.214 177.300 0.001 0.000 1.149 327 P CA 1.740 64.838 63.100 -0.003 0.000 0.817 327 P CB -0.294 31.402 31.700 -0.006 0.000 0.785 328 C N -0.252 119.052 119.300 0.006 0.000 2.453 328 C HA -0.071 4.390 4.460 0.001 0.000 0.277 328 C C 2.884 177.871 174.990 -0.006 0.000 1.262 328 C CA 0.387 59.400 59.018 -0.008 0.000 1.718 328 C CB -1.545 26.190 27.740 -0.009 0.000 2.031 328 C HN 0.136 nan 8.230 nan 0.000 0.480 329 I N 1.564 122.144 120.570 0.016 0.000 2.118 329 I HA -0.229 3.942 4.170 0.001 0.000 0.241 329 I C 2.479 178.606 176.117 0.016 0.000 1.070 329 I CA 1.708 63.023 61.300 0.024 0.000 1.327 329 I CB -1.597 36.430 38.000 0.045 0.000 1.034 329 I HN 0.438 nan 8.210 nan 0.000 0.405 330 K N 1.051 121.462 120.400 0.018 0.000 2.052 330 K HA -0.258 4.062 4.320 0.001 0.000 0.215 330 K C 2.001 178.605 176.600 0.007 0.000 1.053 330 K CA 2.229 58.526 56.287 0.018 0.000 0.934 330 K CB -0.071 32.440 32.500 0.018 0.000 0.717 330 K HN 0.408 nan 8.250 nan 0.000 0.450 331 E N 0.397 120.595 120.200 -0.003 0.000 2.077 331 E HA -0.187 4.163 4.350 0.001 0.000 0.193 331 E C 2.184 178.774 176.600 -0.015 0.000 0.989 331 E CA 1.261 57.654 56.400 -0.011 0.000 0.800 331 E CB -0.123 29.565 29.700 -0.020 0.000 0.746 331 E HN 0.321 nan 8.360 nan 0.000 0.452 332 L N 0.735 121.947 121.223 -0.018 0.000 2.079 332 L HA -0.190 4.151 4.340 0.001 0.000 0.210 332 L C 2.599 179.462 176.870 -0.010 0.000 1.081 332 L CA 0.643 55.471 54.840 -0.020 0.000 0.752 332 L CB -0.451 41.596 42.059 -0.021 0.000 0.896 332 L HN 0.093 nan 8.230 nan 0.000 0.433 333 V N -0.074 119.839 119.914 -0.001 0.000 2.453 333 V HA -0.266 3.855 4.120 0.001 0.000 0.252 333 V C 2.034 178.123 176.094 -0.009 0.000 1.068 333 V CA 2.223 64.523 62.300 -0.000 0.000 1.070 333 V CB -0.152 31.677 31.823 0.009 0.000 0.664 333 V HN 0.681 nan 8.190 nan 0.000 0.461 334 S N -1.645 114.049 115.700 -0.010 0.000 2.574 334 S HA 0.173 4.643 4.470 0.001 0.000 0.242 334 S C 0.405 174.995 174.600 -0.016 0.000 0.982 334 S CA -0.465 57.727 58.200 -0.013 0.000 0.977 334 S CB -0.296 62.898 63.200 -0.010 0.000 0.814 334 S HN 0.661 nan 8.310 nan 0.000 0.464 335 D N 1.396 121.785 120.400 -0.018 0.000 2.449 335 D HA 0.185 4.825 4.640 0.001 0.000 0.236 335 D C 1.315 177.603 176.300 -0.020 0.000 1.149 335 D CA 0.514 54.501 54.000 -0.022 0.000 0.878 335 D CB 1.281 42.067 40.800 -0.024 0.000 1.198 335 D HN 0.309 nan 8.370 nan 0.000 0.446 336 A N 4.002 126.809 122.820 -0.022 0.000 1.969 336 A HA -0.150 4.170 4.320 0.001 0.000 0.218 336 A C 1.178 178.755 177.584 -0.012 0.000 1.169 336 A CA 0.786 52.811 52.037 -0.019 0.000 0.635 336 A CB -0.201 18.785 19.000 -0.024 0.000 0.810 336 A HN 0.685 nan 8.150 nan 0.000 0.445 337 N N -1.076 117.620 118.700 -0.007 0.000 2.524 337 N HA 0.257 4.997 4.740 0.001 0.000 0.283 337 N C 0.562 176.093 175.510 0.035 0.000 1.142 337 N CA -0.079 52.986 53.050 0.025 0.000 0.984 337 N CB 0.910 39.411 38.487 0.024 0.000 1.155 337 N HN 0.309 nan 8.380 nan 0.000 0.467 338 Q N 0.952 120.783 119.800 0.052 0.000 2.212 338 Q HA -0.079 4.262 4.340 0.001 0.000 0.199 338 Q C 0.688 176.658 176.000 -0.050 0.000 0.950 338 Q CA 1.152 56.938 55.803 -0.028 0.000 0.863 338 Q CB 0.065 28.744 28.738 -0.098 0.000 0.944 338 Q HN 0.765 nan 8.270 nan 0.000 0.465 339 H N -1.116 117.933 119.070 -0.034 0.000 2.421 339 H HA -0.100 4.456 4.556 0.000 0.000 0.298 339 H C 1.897 177.209 175.328 -0.027 0.000 1.087 339 H CA 1.541 57.572 56.048 -0.029 0.000 1.330 339 H CB 0.004 29.749 29.762 -0.028 0.000 1.388 339 H HN 0.071 nan 8.280 nan 0.000 0.526 340 V N 0.781 120.753 119.914 0.096 0.000 2.283 340 V HA -0.212 3.909 4.120 0.001 0.000 0.243 340 V C 2.020 178.124 176.094 0.016 0.000 1.039 340 V CA 1.793 64.115 62.300 0.037 0.000 1.016 340 V CB -0.407 31.420 31.823 0.007 0.000 0.650 340 V HN 0.324 nan 8.190 nan 0.000 0.449 341 K N 0.679 121.080 120.400 0.002 0.000 2.113 341 K HA -0.167 4.153 4.320 0.001 0.000 0.208 341 K C 2.398 178.990 176.600 -0.013 0.000 1.047 341 K CA 1.873 58.154 56.287 -0.010 0.000 0.928 341 K CB -0.405 32.081 32.500 -0.022 0.000 0.716 341 K HN 0.392 nan 8.250 nan 0.000 0.446 342 S N 0.828 116.514 115.700 -0.022 0.000 2.343 342 S HA -0.160 4.310 4.470 0.001 0.000 0.219 342 S C 2.221 176.813 174.600 -0.013 0.000 1.033 342 S CA 1.218 59.400 58.200 -0.032 0.000 1.014 342 S CB -0.416 62.749 63.200 -0.059 0.000 0.915 342 S HN 0.464 nan 8.310 nan 0.000 0.435 343 A N 1.355 124.174 122.820 -0.001 0.000 1.948 343 A HA -0.125 4.195 4.320 0.001 0.000 0.220 343 A C 2.137 179.752 177.584 0.051 0.000 1.177 343 A CA 1.597 53.638 52.037 0.008 0.000 0.636 343 A CB -0.764 18.255 19.000 0.031 0.000 0.815 343 A HN 0.398 nan 8.150 nan 0.000 0.449 344 L N -0.324 120.925 121.223 0.043 0.000 1.988 344 L HA -0.024 4.317 4.340 0.001 0.000 0.207 344 L C 2.757 179.659 176.870 0.055 0.000 1.071 344 L CA 2.352 57.225 54.840 0.055 0.000 0.744 344 L CB -1.038 41.042 42.059 0.035 0.000 0.893 344 L HN 0.347 nan 8.230 nan 0.000 0.433 345 A N -1.231 121.608 122.820 0.031 0.000 1.958 345 A HA -0.281 4.039 4.320 0.001 0.000 0.221 345 A C 2.336 179.944 177.584 0.041 0.000 1.178 345 A CA 2.309 54.362 52.037 0.027 0.000 0.642 345 A CB -1.155 17.840 19.000 -0.009 0.000 0.816 345 A HN 0.590 nan 8.150 nan 0.000 0.453 346 S N -1.464 114.259 115.700 0.039 0.000 2.474 346 S HA -0.007 4.464 4.470 0.001 0.000 0.235 346 S C 1.549 176.196 174.600 0.078 0.000 0.997 346 S CA 1.460 59.689 58.200 0.048 0.000 0.949 346 S CB -0.157 63.064 63.200 0.035 0.000 0.766 346 S HN 1.056 nan 8.310 nan 0.000 0.517 347 V N -2.370 117.599 119.914 0.092 0.000 3.368 347 V HA 0.360 4.480 4.120 0.001 0.000 0.255 347 V C 1.538 177.681 176.094 0.081 0.000 1.466 347 V CA -0.180 62.177 62.300 0.095 0.000 1.095 347 V CB -0.730 31.169 31.823 0.126 0.000 0.899 347 V HN 0.333 nan 8.190 nan 0.000 0.440 348 I N 0.639 121.259 120.570 0.084 0.000 2.121 348 I HA -0.305 3.866 4.170 0.001 0.000 0.243 348 I C 2.441 178.604 176.117 0.076 0.000 1.047 348 I CA 2.483 63.833 61.300 0.083 0.000 1.308 348 I CB 0.045 38.098 38.000 0.089 0.000 1.015 348 I HN 0.258 nan 8.210 nan 0.000 0.410 349 M N 0.432 120.080 119.600 0.079 0.000 2.549 349 M HA -0.030 4.450 4.480 0.001 0.000 0.260 349 M C 2.087 178.395 176.300 0.013 0.000 1.076 349 M CA 1.170 56.495 55.300 0.042 0.000 1.090 349 M CB -1.832 30.787 32.600 0.032 0.000 1.418 349 M HN 0.422 nan 8.290 nan 0.000 0.486 350 G N -0.328 108.489 108.800 0.028 0.000 2.625 350 G HA2 -0.038 3.923 3.960 0.001 0.000 0.214 350 G HA3 -0.038 3.923 3.960 0.001 0.000 0.214 350 G C 1.423 176.330 174.900 0.011 0.000 1.132 350 G CA 0.121 45.231 45.100 0.016 0.000 0.782 350 G HN 0.448 nan 8.290 nan 0.000 0.538 351 L N 0.312 121.546 121.223 0.018 0.000 2.591 351 L HA 0.149 4.489 4.340 0.001 0.000 0.228 351 L C 2.709 179.582 176.870 0.005 0.000 1.133 351 L CA 0.060 54.910 54.840 0.015 0.000 0.880 351 L CB 0.104 42.181 42.059 0.031 0.000 1.033 351 L HN 0.248 nan 8.230 nan 0.000 0.450 352 S N 1.269 116.965 115.700 -0.007 0.000 2.343 352 S HA -0.068 4.402 4.470 0.001 0.000 0.219 352 S C -0.170 174.418 174.600 -0.019 0.000 1.033 352 S CA 1.602 59.789 58.200 -0.021 0.000 1.014 352 S CB -0.701 62.469 63.200 -0.049 0.000 0.915 352 S HN 0.250 nan 8.310 nan 0.000 0.435 353 P HA -0.092 nan 4.420 nan 0.000 0.215 353 P C 1.498 178.788 177.300 -0.017 0.000 1.157 353 P CA 1.249 64.337 63.100 -0.021 0.000 0.868 353 P CB -0.331 31.356 31.700 -0.022 0.000 0.788 354 I N -1.022 119.539 120.570 -0.016 0.000 2.399 354 I HA -0.217 3.953 4.170 0.001 0.000 0.254 354 I C 2.399 178.510 176.117 -0.011 0.000 1.146 354 I CA 1.344 62.633 61.300 -0.018 0.000 1.412 354 I CB -0.481 37.506 38.000 -0.021 0.000 1.076 354 I HN -0.091 nan 8.210 nan 0.000 0.432 355 L N -0.351 120.871 121.223 -0.002 0.000 2.408 355 L HA 0.325 4.665 4.340 0.001 0.000 0.215 355 L C 1.039 177.916 176.870 0.010 0.000 1.081 355 L CA 0.244 55.090 54.840 0.011 0.000 0.840 355 L CB -0.281 41.796 42.059 0.029 0.000 1.002 355 L HN 0.389 nan 8.230 nan 0.000 0.468 356 G N 0.705 109.504 108.800 -0.001 0.000 2.690 356 G HA2 -0.251 3.709 3.960 0.001 0.000 0.686 356 G HA3 -0.251 3.709 3.960 0.001 0.000 0.686 356 G C 0.212 175.107 174.900 -0.009 0.000 1.277 356 G CA 0.061 45.157 45.100 -0.006 0.000 0.799 356 G HN 0.107 nan 8.290 nan 0.000 0.613 357 K N -0.346 120.043 120.400 -0.017 0.000 2.034 357 K HA -0.191 4.130 4.320 0.001 0.000 0.214 357 K C 1.877 178.462 176.600 -0.025 0.000 1.051 357 K CA 2.431 58.702 56.287 -0.026 0.000 0.931 357 K CB -0.195 32.289 32.500 -0.026 0.000 0.715 357 K HN 0.561 nan 8.250 nan 0.000 0.446 358 D N 0.005 120.395 120.400 -0.017 0.000 2.178 358 D HA -0.118 4.522 4.640 0.001 0.000 0.202 358 D C 1.646 177.931 176.300 -0.024 0.000 0.974 358 D CA 0.797 54.783 54.000 -0.023 0.000 0.841 358 D CB -0.164 40.628 40.800 -0.014 0.000 0.953 358 D HN 0.300 nan 8.370 nan 0.000 0.478 359 N N 0.343 119.055 118.700 0.020 0.000 2.171 359 N HA -0.073 4.668 4.740 0.001 0.000 0.184 359 N C 1.855 177.405 175.510 0.067 0.000 1.021 359 N CA 0.813 53.921 53.050 0.098 0.000 0.854 359 N CB -0.434 38.138 38.487 0.141 0.000 0.994 359 N HN 0.101 nan 8.380 nan 0.000 0.426 360 T N 2.603 117.172 114.554 0.024 0.000 2.652 360 T HA -0.101 4.249 4.350 0.001 0.000 0.267 360 T C 1.987 176.670 174.700 -0.030 0.000 1.039 360 T CA 0.825 62.927 62.100 0.002 0.000 1.153 360 T CB -0.317 68.532 68.868 -0.033 0.000 0.863 360 T HN 0.256 nan 8.240 nan 0.000 0.428 361 I N 0.712 121.248 120.570 -0.056 0.000 2.208 361 I HA -0.218 3.952 4.170 0.001 0.000 0.245 361 I C 2.575 178.633 176.117 -0.098 0.000 1.097 361 I CA 1.951 63.210 61.300 -0.068 0.000 1.363 361 I CB -0.183 37.779 38.000 -0.063 0.000 1.051 361 I HN 0.345 nan 8.210 nan 0.000 0.413 362 E N -0.940 119.147 120.200 -0.189 0.000 2.299 362 E HA -0.192 4.159 4.350 0.001 0.000 0.193 362 E C 1.634 177.946 176.600 -0.481 0.000 0.998 362 E CA 0.835 57.017 56.400 -0.364 0.000 0.851 362 E CB 0.103 29.489 29.700 -0.523 0.000 0.795 362 E HN 0.653 nan 8.360 nan 0.000 0.492 363 H N -0.881 118.197 119.070 0.014 0.000 2.381 363 H HA 0.142 4.698 4.556 0.000 0.000 0.252 363 H C 2.116 177.464 175.328 0.033 0.000 0.920 363 H CA 0.207 56.268 56.048 0.022 0.000 1.100 363 H CB 0.047 29.820 29.762 0.018 0.000 1.435 363 H HN 0.110 nan 8.280 nan 0.000 0.454 364 L N 0.560 121.868 121.223 0.143 0.000 2.072 364 L HA -0.120 4.220 4.340 0.001 0.000 0.205 364 L C 2.351 179.293 176.870 0.121 0.000 1.079 364 L CA 0.502 55.407 54.840 0.108 0.000 0.752 364 L CB -0.266 41.829 42.059 0.060 0.000 0.906 364 L HN 0.074 nan 8.230 nan 0.000 0.436 365 L N 0.386 121.654 121.223 0.075 0.000 2.021 365 L HA -0.177 4.164 4.340 0.001 0.000 0.215 365 L C -0.283 176.701 176.870 0.190 0.000 1.074 365 L CA 2.400 57.310 54.840 0.117 0.000 0.760 365 L CB -1.677 40.406 42.059 0.040 0.000 0.889 365 L HN 0.107 nan 8.230 nan 0.000 0.433 366 P HA -0.150 nan 4.420 nan 0.000 0.216 366 P C 2.079 179.437 177.300 0.096 0.000 1.153 366 P CA 1.333 64.489 63.100 0.094 0.000 0.848 366 P CB 0.042 31.785 31.700 0.071 0.000 0.787 367 L N -2.643 118.649 121.223 0.115 0.000 2.109 367 L HA -0.114 4.226 4.340 0.001 0.000 0.207 367 L C 2.375 179.309 176.870 0.107 0.000 1.086 367 L CA 1.022 55.918 54.840 0.094 0.000 0.760 367 L CB -0.871 41.246 42.059 0.098 0.000 0.910 367 L HN -0.060 nan 8.230 nan 0.000 0.437 368 F N 1.030 120.985 119.950 0.008 0.000 2.095 368 F HA -0.242 4.286 4.527 0.002 0.000 0.298 368 F C 2.151 177.947 175.800 -0.006 0.000 1.104 368 F CA 1.617 59.615 58.000 -0.003 0.000 1.232 368 F CB -0.217 38.779 39.000 -0.007 0.000 0.987 368 F HN -0.124 nan 8.300 nan 0.000 0.475 369 L N -0.121 121.061 121.223 -0.068 0.000 2.056 369 L HA -0.146 4.194 4.340 0.001 0.000 0.207 369 L C 2.855 179.634 176.870 -0.152 0.000 1.078 369 L CA 1.063 55.801 54.840 -0.170 0.000 0.749 369 L CB -1.402 40.657 42.059 0.000 0.000 0.901 369 L HN 0.255 nan 8.230 nan 0.000 0.433 370 A N -0.235 122.542 122.820 -0.072 0.000 1.917 370 A HA -0.274 4.047 4.320 0.001 0.000 0.219 370 A C 2.211 179.742 177.584 -0.087 0.000 1.182 370 A CA 1.806 53.810 52.037 -0.055 0.000 0.633 370 A CB -0.471 18.518 19.000 -0.018 0.000 0.819 370 A HN 0.524 nan 8.150 nan 0.000 0.448 371 Q N -1.602 118.124 119.800 -0.124 0.000 2.331 371 Q HA 0.016 4.356 4.340 0.001 0.000 0.203 371 Q C 1.950 177.836 176.000 -0.191 0.000 0.944 371 Q CA 0.765 56.489 55.803 -0.132 0.000 0.892 371 Q CB -0.127 28.545 28.738 -0.110 0.000 0.983 371 Q HN 0.561 nan 8.270 nan 0.000 0.482 372 L N 1.227 122.269 121.223 -0.301 0.000 2.072 372 L HA -0.096 4.245 4.340 0.001 0.000 0.205 372 L C 0.804 177.580 176.870 -0.158 0.000 1.079 372 L CA 1.762 56.417 54.840 -0.309 0.000 0.752 372 L CB 0.044 41.818 42.059 -0.475 0.000 0.906 372 L HN -0.100 nan 8.230 nan 0.000 0.436 373 K N 0.475 120.801 120.400 -0.123 0.000 3.226 373 K HA 0.090 4.410 4.320 0.001 0.000 0.268 373 K C -0.611 175.958 176.600 -0.052 0.000 1.217 373 K CA -0.076 56.173 56.287 -0.063 0.000 1.242 373 K CB -0.432 32.040 32.500 -0.046 0.000 1.389 373 K HN 0.228 nan 8.250 nan 0.000 0.406 374 D N 0.918 121.283 120.400 -0.059 0.000 2.256 374 D HA 0.001 4.641 4.640 0.001 0.000 0.246 374 D C -0.726 175.552 176.300 -0.037 0.000 1.042 374 D CA -0.620 53.351 54.000 -0.048 0.000 0.841 374 D CB 1.172 41.937 40.800 -0.059 0.000 1.223 374 D HN 0.083 nan 8.370 nan 0.000 0.470 375 E N 3.310 123.490 120.200 -0.033 0.000 1.972 375 E HA 0.258 4.608 4.350 0.001 0.000 0.292 375 E C -1.521 175.056 176.600 -0.039 0.000 1.193 375 E CA -0.322 56.058 56.400 -0.033 0.000 1.228 375 E CB -0.196 29.486 29.700 -0.031 0.000 1.167 375 E HN 0.384 nan 8.360 nan 0.000 0.479 376 C N 4.950 124.227 119.300 -0.038 0.000 3.072 376 C HA 0.234 4.694 4.460 0.001 0.000 0.400 376 C C -2.081 172.889 174.990 -0.032 0.000 1.075 376 C CA -1.438 57.553 59.018 -0.045 0.000 1.272 376 C CB 0.718 28.425 27.740 -0.055 0.000 1.670 376 C HN 0.502 nan 8.230 nan 0.000 0.516 377 P HA -0.228 nan 4.420 nan 0.000 0.217 377 P C 1.475 178.778 177.300 0.005 0.000 1.162 377 P CA 2.147 65.251 63.100 0.007 0.000 0.901 377 P CB 0.170 31.863 31.700 -0.012 0.000 0.793 378 E N -0.547 119.638 120.200 -0.025 0.000 2.048 378 E HA -0.217 4.134 4.350 0.001 0.000 0.202 378 E C 1.818 178.394 176.600 -0.040 0.000 1.021 378 E CA 2.023 58.402 56.400 -0.035 0.000 0.825 378 E CB -0.568 29.093 29.700 -0.064 0.000 0.756 378 E HN -0.086 nan 8.360 nan 0.000 0.454 379 V N 0.743 120.626 119.914 -0.051 0.000 2.233 379 V HA -0.295 3.825 4.120 0.001 0.000 0.247 379 V C 2.627 178.677 176.094 -0.072 0.000 1.050 379 V CA 2.339 64.606 62.300 -0.056 0.000 1.010 379 V CB -0.763 31.025 31.823 -0.058 0.000 0.637 379 V HN 0.306 nan 8.190 nan 0.000 0.444 380 R N -0.223 120.235 120.500 -0.070 0.000 2.112 380 R HA -0.241 4.099 4.340 0.001 0.000 0.242 380 R C 2.213 178.406 176.300 -0.178 0.000 1.137 380 R CA 2.268 58.305 56.100 -0.104 0.000 0.944 380 R CB -0.621 29.666 30.300 -0.020 0.000 0.857 380 R HN 0.438 nan 8.270 nan 0.000 0.435 381 L N 1.135 122.298 121.223 -0.101 0.000 2.046 381 L HA -0.145 4.195 4.340 0.001 0.000 0.208 381 L C 1.551 178.350 176.870 -0.118 0.000 1.077 381 L CA 1.838 56.599 54.840 -0.131 0.000 0.747 381 L CB -0.701 41.388 42.059 0.049 0.000 0.896 381 L HN 0.257 nan 8.230 nan 0.000 0.432 382 N N 0.017 118.677 118.700 -0.068 0.000 2.094 382 N HA -0.206 4.535 4.740 0.001 0.000 0.191 382 N C 1.841 177.328 175.510 -0.039 0.000 1.023 382 N CA 1.808 54.833 53.050 -0.041 0.000 0.857 382 N CB -0.257 38.214 38.487 -0.027 0.000 1.013 382 N HN 0.318 nan 8.380 nan 0.000 0.426 383 I N 1.495 122.027 120.570 -0.064 0.000 2.133 383 I HA -0.173 3.997 4.170 0.001 0.000 0.238 383 I C 2.187 178.295 176.117 -0.015 0.000 1.074 383 I CA 0.718 62.005 61.300 -0.020 0.000 1.342 383 I CB -0.933 37.002 38.000 -0.109 0.000 1.053 383 I HN 0.028 nan 8.210 nan 0.000 0.404 384 I N 0.940 121.414 120.570 -0.160 0.000 2.248 384 I HA -0.265 3.905 4.170 0.001 0.000 0.248 384 I C 2.492 178.542 176.117 -0.111 0.000 1.107 384 I CA 1.409 62.583 61.300 -0.210 0.000 1.373 384 I CB -1.261 36.369 38.000 -0.616 0.000 1.055 384 I HN 0.184 nan 8.210 nan 0.000 0.418 385 S N 0.573 116.220 115.700 -0.088 0.000 2.489 385 S HA 0.019 4.489 4.470 0.001 0.000 0.228 385 S C 0.882 175.479 174.600 -0.006 0.000 0.995 385 S CA 0.388 58.570 58.200 -0.030 0.000 0.934 385 S CB -0.149 63.042 63.200 -0.015 0.000 0.771 385 S HN 0.448 nan 8.310 nan 0.000 0.522 386 N N 1.315 120.019 118.700 0.005 0.000 2.976 386 N HA 0.361 5.101 4.740 0.001 0.000 0.255 386 N C -0.331 175.185 175.510 0.011 0.000 1.312 386 N CA 0.037 53.096 53.050 0.015 0.000 0.897 386 N CB 1.131 39.637 38.487 0.031 0.000 1.184 386 N HN 0.260 nan 8.380 nan 0.000 0.497 387 L N -0.670 120.540 121.223 -0.022 0.000 2.781 387 L HA 0.186 4.527 4.340 0.001 0.000 0.245 387 L C 1.383 178.201 176.870 -0.087 0.000 1.118 387 L CA -0.052 54.745 54.840 -0.071 0.000 0.918 387 L CB 0.441 42.447 42.059 -0.089 0.000 1.246 387 L HN 0.080 nan 8.230 nan 0.000 0.526 388 D N 0.639 121.006 120.400 -0.054 0.000 2.133 388 D HA -0.205 4.435 4.640 0.001 0.000 0.195 388 D C 2.043 178.310 176.300 -0.055 0.000 0.997 388 D CA 1.656 55.627 54.000 -0.048 0.000 0.840 388 D CB 0.001 40.785 40.800 -0.025 0.000 0.947 388 D HN 0.382 nan 8.370 nan 0.000 0.452 389 C N 0.669 119.939 119.300 -0.051 0.000 2.659 389 C HA -0.137 4.323 4.460 0.001 0.000 0.289 389 C C 2.968 177.912 174.990 -0.077 0.000 1.227 389 C CA 0.464 59.451 59.018 -0.052 0.000 1.770 389 C CB -1.118 26.598 27.740 -0.040 0.000 2.066 389 C HN 0.181 nan 8.230 nan 0.000 0.447 390 V N 2.379 122.227 119.914 -0.109 0.000 2.428 390 V HA -0.316 3.805 4.120 0.001 0.000 0.255 390 V C 2.318 178.328 176.094 -0.140 0.000 1.080 390 V CA 2.381 64.591 62.300 -0.150 0.000 1.083 390 V CB -1.132 30.535 31.823 -0.260 0.000 0.665 390 V HN 0.621 nan 8.190 nan 0.000 0.461 391 N N 0.112 118.733 118.700 -0.131 0.000 2.120 391 N HA -0.207 4.534 4.740 0.001 0.000 0.188 391 N C 1.879 177.341 175.510 -0.080 0.000 1.024 391 N CA 1.850 54.831 53.050 -0.115 0.000 0.852 391 N CB 0.054 38.475 38.487 -0.110 0.000 1.003 391 N HN 0.666 nan 8.380 nan 0.000 0.424 392 E N -0.101 120.060 120.200 -0.065 0.000 2.170 392 E HA -0.048 4.303 4.350 0.001 0.000 0.191 392 E C 2.119 178.691 176.600 -0.046 0.000 0.981 392 E CA 0.346 56.718 56.400 -0.048 0.000 0.830 392 E CB 0.268 29.945 29.700 -0.038 0.000 0.775 392 E HN 0.150 nan 8.360 nan 0.000 0.470 393 V N 2.685 122.567 119.914 -0.053 0.000 2.223 393 V HA -0.166 3.954 4.120 0.001 0.000 0.244 393 V C 1.640 177.705 176.094 -0.049 0.000 1.045 393 V CA 1.498 63.769 62.300 -0.047 0.000 1.000 393 V CB -0.475 31.317 31.823 -0.051 0.000 0.635 393 V HN 0.245 nan 8.190 nan 0.000 0.445 394 I N -0.954 119.578 120.570 -0.064 0.000 2.797 394 I HA 0.705 4.876 4.170 0.001 0.000 0.310 394 I C 0.617 176.701 176.117 -0.055 0.000 0.990 394 I CA -0.510 60.754 61.300 -0.060 0.000 1.228 394 I CB 0.861 38.816 38.000 -0.076 0.000 1.406 394 I HN 0.148 nan 8.210 nan 0.000 0.534 395 G N 2.174 110.950 108.800 -0.041 0.000 2.483 395 G HA2 0.211 4.172 3.960 0.001 0.000 0.248 395 G HA3 0.211 4.172 3.960 0.001 0.000 0.248 395 G C 0.466 175.347 174.900 -0.031 0.000 1.248 395 G CA -0.455 44.627 45.100 -0.030 0.000 0.838 395 G HN 0.831 nan 8.290 nan 0.000 0.566 396 I N 1.204 121.761 120.570 -0.022 0.000 2.399 396 I HA -0.220 3.950 4.170 0.001 0.000 0.254 396 I C 2.738 178.870 176.117 0.024 0.000 1.146 396 I CA 1.540 62.833 61.300 -0.011 0.000 1.412 396 I CB -0.091 37.916 38.000 0.013 0.000 1.076 396 I HN 0.725 nan 8.210 nan 0.000 0.432 397 R N -0.545 119.969 120.500 0.023 0.000 2.090 397 R HA -0.076 4.264 4.340 0.001 0.000 0.228 397 R C 1.909 178.223 176.300 0.024 0.000 1.110 397 R CA 0.871 56.992 56.100 0.035 0.000 0.973 397 R CB -0.912 29.402 30.300 0.023 0.000 0.869 397 R HN 0.364 nan 8.270 nan 0.000 0.440 398 Q N 0.900 120.700 119.800 0.001 0.000 2.172 398 Q HA -0.034 4.306 4.340 0.001 0.000 0.200 398 Q C 2.052 178.044 176.000 -0.013 0.000 0.964 398 Q CA 0.817 56.615 55.803 -0.009 0.000 0.855 398 Q CB -0.117 28.605 28.738 -0.027 0.000 0.918 398 Q HN 0.272 nan 8.270 nan 0.000 0.444 399 L N 0.480 121.686 121.223 -0.028 0.000 2.007 399 L HA -0.064 4.276 4.340 0.001 0.000 0.205 399 L C 2.118 179.009 176.870 0.035 0.000 1.073 399 L CA 1.784 56.593 54.840 -0.051 0.000 0.744 399 L CB -0.954 41.033 42.059 -0.120 0.000 0.898 399 L HN -0.012 nan 8.230 nan 0.000 0.435 400 S N -0.551 115.208 115.700 0.099 0.000 2.387 400 S HA -0.302 4.169 4.470 0.001 0.000 0.230 400 S C 1.866 176.552 174.600 0.142 0.000 1.035 400 S CA 1.526 59.861 58.200 0.225 0.000 1.014 400 S CB -0.430 62.933 63.200 0.271 0.000 0.836 400 S HN 0.536 nan 8.310 nan 0.000 0.466 401 Q N 0.423 120.275 119.800 0.086 0.000 2.197 401 Q HA -0.159 4.181 4.340 0.001 0.000 0.207 401 Q C 2.294 178.337 176.000 0.071 0.000 0.984 401 Q CA 1.770 57.610 55.803 0.062 0.000 0.869 401 Q CB -0.148 28.613 28.738 0.038 0.000 0.906 401 Q HN 0.761 nan 8.270 nan 0.000 0.426 402 S N -1.305 114.448 115.700 0.089 0.000 2.514 402 S HA 0.018 4.489 4.470 0.001 0.000 0.223 402 S C 1.564 176.262 174.600 0.163 0.000 1.046 402 S CA -0.163 58.104 58.200 0.113 0.000 0.914 402 S CB 0.028 63.300 63.200 0.120 0.000 0.807 402 S HN 0.213 nan 8.310 nan 0.000 0.497 403 L N 1.682 123.023 121.223 0.195 0.000 2.022 403 L HA 0.316 4.657 4.340 0.001 0.000 0.204 403 L C 2.172 179.161 176.870 0.198 0.000 1.076 403 L CA 1.425 56.410 54.840 0.242 0.000 0.749 403 L CB -1.163 41.045 42.059 0.248 0.000 0.903 403 L HN 0.319 nan 8.230 nan 0.000 0.439 404 L N 0.404 121.754 121.223 0.212 0.000 2.054 404 L HA -0.211 4.130 4.340 0.001 0.000 0.220 404 L C -0.541 176.379 176.870 0.084 0.000 1.081 404 L CA 2.513 57.436 54.840 0.138 0.000 0.780 404 L CB -1.873 40.228 42.059 0.070 0.000 0.893 404 L HN 0.220 nan 8.230 nan 0.000 0.438 405 P HA -0.184 nan 4.420 nan 0.000 0.214 405 P C 1.609 178.943 177.300 0.056 0.000 1.163 405 P CA 2.245 65.376 63.100 0.051 0.000 0.883 405 P CB -0.240 31.489 31.700 0.049 0.000 0.788 406 A N -0.842 122.017 122.820 0.064 0.000 1.908 406 A HA -0.210 4.110 4.320 0.001 0.000 0.218 406 A C 2.257 179.886 177.584 0.075 0.000 1.181 406 A CA 1.588 53.655 52.037 0.050 0.000 0.627 406 A CB -1.687 17.326 19.000 0.022 0.000 0.818 406 A HN 0.089 nan 8.150 nan 0.000 0.445 407 I N -0.704 119.931 120.570 0.109 0.000 2.076 407 I HA -0.249 3.921 4.170 0.001 0.000 0.237 407 I C 2.403 178.597 176.117 0.128 0.000 1.059 407 I CA 1.479 62.871 61.300 0.154 0.000 1.317 407 I CB -0.615 37.501 38.000 0.192 0.000 1.037 407 I HN 0.168 nan 8.210 nan 0.000 0.398 408 V N 1.000 120.960 119.914 0.077 0.000 2.277 408 V HA -0.388 3.732 4.120 0.001 0.000 0.255 408 V C 2.425 178.550 176.094 0.053 0.000 1.074 408 V CA 2.284 64.605 62.300 0.034 0.000 1.058 408 V CB -0.781 31.044 31.823 0.003 0.000 0.656 408 V HN 0.474 nan 8.190 nan 0.000 0.449 409 E N -0.388 119.846 120.200 0.057 0.000 2.070 409 E HA -0.236 4.115 4.350 0.001 0.000 0.197 409 E C 2.171 178.819 176.600 0.079 0.000 1.004 409 E CA 1.617 58.050 56.400 0.056 0.000 0.805 409 E CB -0.255 29.472 29.700 0.044 0.000 0.744 409 E HN 0.548 nan 8.360 nan 0.000 0.451 410 L N 0.326 121.611 121.223 0.103 0.000 2.217 410 L HA -0.078 4.263 4.340 0.001 0.000 0.211 410 L C 2.532 179.511 176.870 0.182 0.000 1.107 410 L CA 0.545 55.459 54.840 0.124 0.000 0.783 410 L CB -0.447 41.695 42.059 0.138 0.000 0.919 410 L HN 0.126 nan 8.230 nan 0.000 0.442 411 A N 0.705 123.663 122.820 0.231 0.000 2.019 411 A HA -0.167 4.153 4.320 0.001 0.000 0.219 411 A C 1.576 179.346 177.584 0.310 0.000 1.164 411 A CA 1.432 53.698 52.037 0.382 0.000 0.644 411 A CB -0.355 18.773 19.000 0.213 0.000 0.805 411 A HN 0.609 nan 8.150 nan 0.000 0.449 412 E N 0.220 120.522 120.200 0.170 0.000 3.105 412 E HA 0.259 4.609 4.350 0.001 0.000 0.219 412 E C -1.310 175.366 176.600 0.127 0.000 1.064 412 E CA -0.525 55.960 56.400 0.141 0.000 1.342 412 E CB -0.363 29.382 29.700 0.075 0.000 1.295 412 E HN 0.354 nan 8.360 nan 0.000 0.438 413 D N 0.589 121.071 120.400 0.137 0.000 2.264 413 D HA 0.293 4.933 4.640 0.001 0.000 0.250 413 D C 1.141 177.508 176.300 0.111 0.000 1.113 413 D CA 0.053 54.111 54.000 0.097 0.000 0.871 413 D CB 1.525 42.365 40.800 0.068 0.000 1.167 413 D HN 0.230 nan 8.370 nan 0.000 0.447 414 A N 4.176 127.052 122.820 0.095 0.000 2.139 414 A HA -0.159 4.161 4.320 0.001 0.000 0.221 414 A C 0.766 178.425 177.584 0.126 0.000 1.159 414 A CA 1.181 53.289 52.037 0.117 0.000 0.662 414 A CB -0.262 18.789 19.000 0.085 0.000 0.796 414 A HN 0.512 nan 8.150 nan 0.000 0.463 415 K N 1.116 121.549 120.400 0.055 0.000 2.267 415 K HA 0.119 4.439 4.320 0.001 0.000 0.282 415 K C 0.919 177.482 176.600 -0.061 0.000 1.078 415 K CA -0.475 55.788 56.287 -0.039 0.000 0.903 415 K CB 0.495 32.912 32.500 -0.139 0.000 1.111 415 K HN 0.690 nan 8.250 nan 0.000 0.475 416 W N 4.614 125.922 121.300 0.013 0.000 2.331 416 W HA -0.235 4.425 4.660 0.001 0.000 0.291 416 W C 1.090 177.573 176.519 -0.059 0.000 1.214 416 W CA 0.723 58.046 57.345 -0.037 0.000 1.228 416 W CB -0.467 28.947 29.460 -0.077 0.000 1.135 416 W HN 0.611 nan 8.180 nan 0.000 0.537 417 R N 1.236 121.124 120.500 -1.021 0.000 2.105 417 R HA -0.144 4.197 4.340 0.001 0.000 0.239 417 R C 2.206 178.270 176.300 -0.393 0.000 1.135 417 R CA 2.259 57.772 56.100 -0.979 0.000 0.967 417 R CB -0.320 29.345 30.300 -1.059 0.000 0.861 417 R HN 0.146 nan 8.270 nan 0.000 0.442 418 V N 0.749 120.498 119.914 -0.273 0.000 2.283 418 V HA -0.179 3.941 4.120 0.001 0.000 0.243 418 V C 2.364 178.395 176.094 -0.105 0.000 1.039 418 V CA 1.719 63.932 62.300 -0.145 0.000 1.016 418 V CB -0.517 31.259 31.823 -0.078 0.000 0.650 418 V HN 0.370 nan 8.190 nan 0.000 0.449 419 R N -0.152 120.322 120.500 -0.043 0.000 2.117 419 R HA -0.204 4.136 4.340 0.001 0.000 0.243 419 R C 2.232 178.402 176.300 -0.217 0.000 1.143 419 R CA 1.659 57.746 56.100 -0.021 0.000 0.968 419 R CB -0.698 29.661 30.300 0.099 0.000 0.863 419 R HN 0.391 nan 8.270 nan 0.000 0.444 420 L N 0.824 121.947 121.223 -0.167 0.000 2.131 420 L HA -0.075 4.265 4.340 0.001 0.000 0.210 420 L C 2.208 178.891 176.870 -0.311 0.000 1.092 420 L CA 1.774 56.487 54.840 -0.210 0.000 0.759 420 L CB -0.550 41.492 42.059 -0.028 0.000 0.903 420 L HN 0.108 nan 8.230 nan 0.000 0.435 421 A N -0.099 122.535 122.820 -0.310 0.000 1.873 421 A HA -0.141 4.179 4.320 0.001 0.000 0.215 421 A C 2.148 179.205 177.584 -0.878 0.000 1.186 421 A CA 1.797 53.560 52.037 -0.457 0.000 0.616 421 A CB -0.706 18.123 19.000 -0.285 0.000 0.823 421 A HN 0.400 nan 8.150 nan 0.000 0.442 422 I N 0.437 120.648 120.570 -0.599 0.000 2.118 422 I HA -0.283 3.887 4.170 0.001 0.000 0.241 422 I C 2.477 178.310 176.117 -0.475 0.000 1.070 422 I CA 1.523 62.542 61.300 -0.468 0.000 1.327 422 I CB -1.385 36.627 38.000 0.020 0.000 1.034 422 I HN 0.326 nan 8.210 nan 0.000 0.405 423 I N 0.635 120.834 120.570 -0.619 0.000 2.236 423 I HA -0.298 3.873 4.170 0.001 0.000 0.249 423 I C 2.409 178.334 176.117 -0.321 0.000 1.102 423 I CA 1.265 62.197 61.300 -0.613 0.000 1.365 423 I CB -0.476 37.038 38.000 -0.809 0.000 1.051 423 I HN 0.294 nan 8.210 nan 0.000 0.420 424 E N 0.307 120.270 120.200 -0.394 0.000 2.204 424 E HA -0.206 4.144 4.350 0.001 0.000 0.195 424 E C 2.009 178.578 176.600 -0.051 0.000 0.990 424 E CA 1.388 57.642 56.400 -0.244 0.000 0.821 424 E CB -0.243 29.283 29.700 -0.291 0.000 0.750 424 E HN 0.605 nan 8.360 nan 0.000 0.477 425 Y N -0.316 119.994 120.300 0.016 0.000 2.395 425 Y HA -0.005 4.545 4.550 0.000 0.000 0.293 425 Y C 2.197 178.171 175.900 0.123 0.000 1.123 425 Y CA 0.105 58.244 58.100 0.065 0.000 1.227 425 Y CB -0.626 37.881 38.460 0.078 0.000 1.012 425 Y HN -0.059 nan 8.280 nan 0.000 0.552 426 M N 0.871 120.638 119.600 0.278 0.000 2.113 426 M HA -0.206 4.274 4.480 0.001 0.000 0.255 426 M C -0.532 175.953 176.300 0.308 0.000 1.073 426 M CA 2.170 57.673 55.300 0.339 0.000 1.091 426 M CB -1.877 30.906 32.600 0.304 0.000 1.309 426 M HN 0.058 nan 8.290 nan 0.000 0.407 427 P HA -0.145 nan 4.420 nan 0.000 0.218 427 P C 1.802 179.186 177.300 0.139 0.000 1.149 427 P CA 1.486 64.652 63.100 0.109 0.000 0.817 427 P CB -0.167 31.562 31.700 0.048 0.000 0.785 428 L N -0.863 120.458 121.223 0.163 0.000 2.005 428 L HA -0.109 4.232 4.340 0.001 0.000 0.207 428 L C 2.911 179.870 176.870 0.148 0.000 1.072 428 L CA 1.207 56.130 54.840 0.138 0.000 0.744 428 L CB -1.099 41.044 42.059 0.140 0.000 0.895 428 L HN -0.135 nan 8.230 nan 0.000 0.433 429 L N -0.286 121.059 121.223 0.202 0.000 2.127 429 L HA -0.237 4.103 4.340 0.001 0.000 0.211 429 L C 2.822 179.869 176.870 0.294 0.000 1.089 429 L CA 1.178 56.124 54.840 0.177 0.000 0.757 429 L CB -0.771 41.462 42.059 0.290 0.000 0.899 429 L HN 0.284 nan 8.230 nan 0.000 0.434 430 A N 0.297 123.382 122.820 0.441 0.000 1.854 430 A HA -0.060 4.261 4.320 0.001 0.000 0.214 430 A C 2.432 180.202 177.584 0.309 0.000 1.192 430 A CA 1.484 53.842 52.037 0.535 0.000 0.611 430 A CB -1.248 17.928 19.000 0.293 0.000 0.832 430 A HN 0.403 nan 8.150 nan 0.000 0.442 431 G N -0.986 107.923 108.800 0.181 0.000 2.450 431 G HA2 -0.197 3.763 3.960 0.001 0.000 0.220 431 G HA3 -0.197 3.763 3.960 0.001 0.000 0.220 431 G C 1.640 176.595 174.900 0.092 0.000 1.130 431 G CA 1.096 46.266 45.100 0.117 0.000 0.760 431 G HN 0.629 nan 8.290 nan 0.000 0.557 432 Q N -0.622 119.225 119.800 0.079 0.000 2.013 432 Q HA 0.209 4.549 4.340 0.001 0.000 0.195 432 Q C 2.702 178.704 176.000 0.003 0.000 0.974 432 Q CA 0.606 56.423 55.803 0.023 0.000 0.826 432 Q CB -0.157 28.574 28.738 -0.013 0.000 0.895 432 Q HN 0.395 nan 8.270 nan 0.000 0.448 433 L N -0.385 120.829 121.223 -0.015 0.000 2.131 433 L HA 0.113 4.453 4.340 0.001 0.000 0.206 433 L C 1.119 178.043 176.870 0.090 0.000 1.087 433 L CA 0.628 55.434 54.840 -0.057 0.000 0.767 433 L CB -0.604 41.237 42.059 -0.364 0.000 0.917 433 L HN 0.399 nan 8.230 nan 0.000 0.441 434 G N -0.430 108.507 108.800 0.228 0.000 2.710 434 G HA2 -0.256 3.704 3.960 0.001 0.000 0.668 434 G HA3 -0.256 3.704 3.960 0.001 0.000 0.668 434 G C 0.310 175.289 174.900 0.131 0.000 1.320 434 G CA -0.310 44.885 45.100 0.157 0.000 0.860 434 G HN -0.115 nan 8.290 nan 0.000 0.538 435 V N 0.457 120.073 119.914 -0.497 0.000 2.324 435 V HA -0.161 3.959 4.120 0.001 0.000 0.250 435 V C 2.569 178.608 176.094 -0.091 0.000 1.060 435 V CA 3.401 65.185 62.300 -0.860 0.000 1.042 435 V CB -0.651 30.473 31.823 -1.164 0.000 0.650 435 V HN 0.814 nan 8.190 nan 0.000 0.450 436 E N -0.263 119.937 120.200 -0.000 0.000 2.463 436 E HA -0.164 4.187 4.350 0.001 0.000 0.201 436 E C 1.545 178.280 176.600 0.225 0.000 1.045 436 E CA 1.157 57.620 56.400 0.105 0.000 0.872 436 E CB -0.444 29.295 29.700 0.066 0.000 0.797 436 E HN 0.803 nan 8.360 nan 0.000 0.538 437 F N -0.238 119.791 119.950 0.130 0.000 2.569 437 F HA 0.190 4.717 4.527 0.000 0.000 0.295 437 F C 0.077 175.869 175.800 -0.013 0.000 1.115 437 F CA -0.367 57.658 58.000 0.042 0.000 1.450 437 F CB 0.262 39.251 39.000 -0.019 0.000 1.107 437 F HN -0.184 nan 8.300 nan 0.000 0.563 438 F N 3.232 123.203 119.950 0.035 0.000 2.451 438 F HA 0.206 4.734 4.527 0.001 0.000 0.356 438 F C 0.640 176.513 175.800 0.122 0.000 1.178 438 F CA -1.250 56.782 58.000 0.052 0.000 1.210 438 F CB -0.727 38.493 39.000 0.366 0.000 1.504 438 F HN 0.033 nan 8.300 nan 0.000 0.598 439 D N 1.243 121.670 120.400 0.046 0.000 2.529 439 D HA 0.143 4.783 4.640 0.001 0.000 0.273 439 D C 0.887 177.203 176.300 0.027 0.000 1.197 439 D CA -0.397 53.634 54.000 0.052 0.000 1.070 439 D CB 0.705 41.499 40.800 -0.011 0.000 1.134 439 D HN 0.387 nan 8.370 nan 0.000 0.590 440 E N -0.184 120.017 120.200 0.001 0.000 2.037 440 E HA -0.264 4.087 4.350 0.001 0.000 0.214 440 E C 1.786 178.359 176.600 -0.045 0.000 1.041 440 E CA 1.266 57.651 56.400 -0.023 0.000 0.872 440 E CB -0.151 29.529 29.700 -0.033 0.000 0.785 440 E HN 0.330 nan 8.360 nan 0.000 0.476 441 K N 0.757 121.120 120.400 -0.061 0.000 2.097 441 K HA -0.224 4.096 4.320 0.001 0.000 0.214 441 K C 2.178 178.709 176.600 -0.114 0.000 1.052 441 K CA 1.233 57.469 56.287 -0.084 0.000 0.932 441 K CB -0.669 31.784 32.500 -0.079 0.000 0.716 441 K HN 0.091 nan 8.250 nan 0.000 0.455 442 L N 1.735 122.878 121.223 -0.134 0.000 2.056 442 L HA -0.116 4.225 4.340 0.001 0.000 0.207 442 L C 1.787 178.634 176.870 -0.039 0.000 1.078 442 L CA 1.679 56.419 54.840 -0.167 0.000 0.749 442 L CB -0.645 41.193 42.059 -0.368 0.000 0.901 442 L HN 0.192 nan 8.230 nan 0.000 0.433 443 N N -0.527 118.199 118.700 0.043 0.000 2.120 443 N HA -0.169 4.571 4.740 0.001 0.000 0.188 443 N C 1.995 177.497 175.510 -0.012 0.000 1.024 443 N CA 1.594 54.703 53.050 0.098 0.000 0.852 443 N CB -0.411 38.128 38.487 0.087 0.000 1.003 443 N HN 0.569 nan 8.380 nan 0.000 0.424 444 S N 1.715 117.372 115.700 -0.071 0.000 2.359 444 S HA -0.102 4.369 4.470 0.001 0.000 0.224 444 S C 2.230 176.714 174.600 -0.192 0.000 1.035 444 S CA 0.775 58.905 58.200 -0.117 0.000 1.018 444 S CB -0.909 62.219 63.200 -0.120 0.000 0.876 444 S HN 0.220 nan 8.310 nan 0.000 0.448 445 L N 0.944 122.005 121.223 -0.271 0.000 1.971 445 L HA -0.201 4.140 4.340 0.001 0.000 0.215 445 L C 3.128 179.584 176.870 -0.690 0.000 1.072 445 L CA 1.799 56.309 54.840 -0.550 0.000 0.758 445 L CB -1.197 40.499 42.059 -0.605 0.000 0.889 445 L HN 0.480 nan 8.230 nan 0.000 0.433 446 C N -0.263 118.837 119.300 -0.335 0.000 2.359 446 C HA -0.273 4.187 4.460 0.001 0.000 0.277 446 C C 2.902 177.943 174.990 0.085 0.000 1.192 446 C CA 1.324 60.374 59.018 0.053 0.000 1.759 446 C CB -0.842 27.041 27.740 0.238 0.000 2.038 446 C HN 0.501 nan 8.230 nan 0.000 0.448 447 M N 1.087 120.699 119.600 0.020 0.000 2.106 447 M HA -0.201 4.279 4.480 0.001 0.000 0.259 447 M C 2.506 178.814 176.300 0.013 0.000 1.068 447 M CA 2.146 57.464 55.300 0.029 0.000 1.100 447 M CB -0.717 31.876 32.600 -0.012 0.000 1.351 447 M HN 0.507 nan 8.290 nan 0.000 0.404 448 A N 0.096 122.861 122.820 -0.093 0.000 1.917 448 A HA -0.200 4.120 4.320 0.001 0.000 0.219 448 A C 1.761 179.353 177.584 0.012 0.000 1.182 448 A CA 1.459 53.434 52.037 -0.104 0.000 0.633 448 A CB -1.175 17.677 19.000 -0.246 0.000 0.819 448 A HN 0.687 nan 8.150 nan 0.000 0.448 449 W N -0.047 121.265 121.300 0.020 0.000 2.538 449 W HA -0.022 4.638 4.660 -0.000 0.000 0.254 449 W C 1.624 178.124 176.519 -0.032 0.000 1.249 449 W CA 0.529 57.875 57.345 0.002 0.000 1.253 449 W CB -0.858 28.599 29.460 -0.004 0.000 1.130 449 W HN 0.336 nan 8.180 nan 0.000 0.618 450 L N 0.240 121.569 121.223 0.175 0.000 2.362 450 L HA -0.114 4.227 4.340 0.001 0.000 0.219 450 L C 1.575 178.435 176.870 -0.017 0.000 1.134 450 L CA 0.815 55.685 54.840 0.050 0.000 0.807 450 L CB -0.537 41.573 42.059 0.085 0.000 0.927 450 L HN -0.184 nan 8.230 nan 0.000 0.447 451 V N -4.739 115.223 119.914 0.080 0.000 2.854 451 V HA 0.274 4.394 4.120 0.001 0.000 0.366 451 V C 0.078 176.244 176.094 0.120 0.000 1.322 451 V CA -0.781 61.573 62.300 0.091 0.000 1.243 451 V CB -0.043 31.880 31.823 0.167 0.000 1.337 451 V HN 0.072 nan 8.190 nan 0.000 0.585 452 D N 1.577 122.041 120.400 0.107 0.000 2.345 452 D HA 0.039 4.679 4.640 0.001 0.000 0.247 452 D C 1.429 177.787 176.300 0.096 0.000 1.108 452 D CA -0.001 54.090 54.000 0.152 0.000 0.894 452 D CB 1.049 41.921 40.800 0.120 0.000 1.203 452 D HN 0.660 nan 8.370 nan 0.000 0.430 453 H N 1.510 120.623 119.070 0.073 0.000 2.541 453 H HA -0.032 4.524 4.556 0.000 0.000 0.289 453 H C 0.180 175.524 175.328 0.026 0.000 1.054 453 H CA 0.203 56.286 56.048 0.057 0.000 1.250 453 H CB -0.404 29.399 29.762 0.068 0.000 1.369 453 H HN -0.032 nan 8.280 nan 0.000 0.578 454 V N 2.610 122.306 119.914 -0.363 0.000 2.333 454 V HA -0.039 4.081 4.120 0.001 0.000 0.274 454 V C 1.068 177.058 176.094 -0.174 0.000 1.028 454 V CA -0.630 61.484 62.300 -0.311 0.000 0.851 454 V CB 0.504 32.059 31.823 -0.447 0.000 1.000 454 V HN 0.218 nan 8.190 nan 0.000 0.456 455 Y N 5.201 125.377 120.300 -0.206 0.000 2.219 455 Y HA -0.364 4.186 4.550 0.000 0.000 0.283 455 Y C 2.176 177.972 175.900 -0.173 0.000 1.191 455 Y CA 2.335 60.336 58.100 -0.166 0.000 1.199 455 Y CB 0.118 38.492 38.460 -0.142 0.000 0.972 455 Y HN 0.649 nan 8.280 nan 0.000 0.527 456 A N -0.152 122.609 122.820 -0.099 0.000 1.930 456 A HA -0.111 4.210 4.320 0.001 0.000 0.217 456 A C 2.274 179.753 177.584 -0.175 0.000 1.175 456 A CA 1.693 53.656 52.037 -0.124 0.000 0.627 456 A CB -0.847 18.064 19.000 -0.149 0.000 0.815 456 A HN 0.559 nan 8.150 nan 0.000 0.443 457 I N -1.068 119.396 120.570 -0.177 0.000 2.233 457 I HA -0.209 3.961 4.170 0.001 0.000 0.243 457 I C 2.741 178.739 176.117 -0.200 0.000 1.093 457 I CA 1.035 62.227 61.300 -0.179 0.000 1.380 457 I CB -0.363 37.564 38.000 -0.122 0.000 1.067 457 I HN 0.279 nan 8.210 nan 0.000 0.413 458 R N 0.559 120.926 120.500 -0.221 0.000 2.091 458 R HA -0.235 4.105 4.340 0.001 0.000 0.238 458 R C 2.221 178.337 176.300 -0.306 0.000 1.136 458 R CA 1.700 57.653 56.100 -0.246 0.000 0.959 458 R CB -0.371 29.728 30.300 -0.335 0.000 0.856 458 R HN 0.429 nan 8.270 nan 0.000 0.437 459 E N 0.439 120.391 120.200 -0.414 0.000 2.077 459 E HA -0.186 4.164 4.350 0.001 0.000 0.193 459 E C 1.941 178.412 176.600 -0.215 0.000 0.989 459 E CA 1.151 57.333 56.400 -0.364 0.000 0.800 459 E CB -0.004 29.455 29.700 -0.401 0.000 0.746 459 E HN 0.373 nan 8.360 nan 0.000 0.452 460 A N 1.213 123.914 122.820 -0.199 0.000 1.873 460 A HA -0.083 4.238 4.320 0.001 0.000 0.215 460 A C 2.409 179.902 177.584 -0.151 0.000 1.186 460 A CA 1.746 53.679 52.037 -0.173 0.000 0.616 460 A CB -0.808 18.064 19.000 -0.213 0.000 0.823 460 A HN 0.402 nan 8.150 nan 0.000 0.442 461 A N -0.979 121.757 122.820 -0.141 0.000 1.940 461 A HA -0.118 4.202 4.320 0.001 0.000 0.219 461 A C 2.304 179.894 177.584 0.009 0.000 1.176 461 A CA 2.420 54.452 52.037 -0.008 0.000 0.631 461 A CB -1.303 17.776 19.000 0.132 0.000 0.814 461 A HN 0.441 nan 8.150 nan 0.000 0.446 462 T N -0.706 113.815 114.554 -0.055 0.000 2.643 462 T HA -0.151 4.199 4.350 0.001 0.000 0.264 462 T C 2.300 176.978 174.700 -0.037 0.000 1.045 462 T CA 1.862 63.931 62.100 -0.052 0.000 1.155 462 T CB -0.429 68.375 68.868 -0.107 0.000 0.863 462 T HN 0.546 nan 8.240 nan 0.000 0.420 463 S N 0.933 116.598 115.700 -0.059 0.000 2.383 463 S HA -0.164 4.306 4.470 0.001 0.000 0.229 463 S C 2.038 176.615 174.600 -0.038 0.000 1.030 463 S CA 1.699 59.870 58.200 -0.049 0.000 1.002 463 S CB -0.689 62.476 63.200 -0.058 0.000 0.829 463 S HN 0.579 nan 8.310 nan 0.000 0.467 464 N N 0.116 118.797 118.700 -0.031 0.000 2.039 464 N HA -0.155 4.585 4.740 0.001 0.000 0.193 464 N C 1.964 177.475 175.510 0.001 0.000 1.044 464 N CA 1.591 54.635 53.050 -0.010 0.000 0.847 464 N CB -0.326 38.174 38.487 0.022 0.000 1.030 464 N HN 0.369 nan 8.380 nan 0.000 0.422 465 L N 2.225 123.473 121.223 0.041 0.000 2.042 465 L HA -0.168 4.173 4.340 0.001 0.000 0.210 465 L C 2.387 179.266 176.870 0.015 0.000 1.076 465 L CA 1.774 56.647 54.840 0.056 0.000 0.749 465 L CB -0.862 41.246 42.059 0.081 0.000 0.893 465 L HN 0.162 nan 8.230 nan 0.000 0.432 466 K N -0.747 119.651 120.400 -0.003 0.000 2.009 466 K HA -0.213 4.107 4.320 0.001 0.000 0.210 466 K C 2.082 178.654 176.600 -0.048 0.000 1.049 466 K CA 1.531 57.811 56.287 -0.013 0.000 0.929 466 K CB -0.032 32.458 32.500 -0.016 0.000 0.714 466 K HN 0.152 nan 8.250 nan 0.000 0.440 467 K N 0.761 121.116 120.400 -0.075 0.000 2.074 467 K HA -0.175 4.145 4.320 0.001 0.000 0.209 467 K C 2.172 178.630 176.600 -0.238 0.000 1.048 467 K CA 1.114 57.328 56.287 -0.122 0.000 0.926 467 K CB -0.688 31.745 32.500 -0.110 0.000 0.713 467 K HN 0.118 nan 8.250 nan 0.000 0.444 468 L N 0.734 121.766 121.223 -0.319 0.000 1.963 468 L HA -0.214 4.126 4.340 0.001 0.000 0.220 468 L C 2.538 179.091 176.870 -0.527 0.000 1.076 468 L CA 1.440 55.870 54.840 -0.683 0.000 0.772 468 L CB -1.230 40.494 42.059 -0.558 0.000 0.892 468 L HN -0.107 nan 8.230 nan 0.000 0.435 469 V N -0.501 119.349 119.914 -0.106 0.000 2.282 469 V HA -0.341 3.780 4.120 0.001 0.000 0.249 469 V C 2.402 178.512 176.094 0.026 0.000 1.057 469 V CA 2.061 64.422 62.300 0.102 0.000 1.032 469 V CB -0.783 31.126 31.823 0.143 0.000 0.645 469 V HN 0.533 nan 8.190 nan 0.000 0.447 470 E N -0.238 119.940 120.200 -0.037 0.000 2.204 470 E HA -0.257 4.093 4.350 0.001 0.000 0.195 470 E C 2.219 178.799 176.600 -0.034 0.000 0.990 470 E CA 1.328 57.714 56.400 -0.024 0.000 0.821 470 E CB -0.100 29.578 29.700 -0.037 0.000 0.750 470 E HN 0.611 nan 8.360 nan 0.000 0.477 471 K N 0.131 120.462 120.400 -0.114 0.000 2.063 471 K HA -0.039 4.281 4.320 0.001 0.000 0.204 471 K C 1.783 178.444 176.600 0.101 0.000 1.039 471 K CA 0.581 56.826 56.287 -0.070 0.000 0.957 471 K CB 0.074 32.441 32.500 -0.223 0.000 0.764 471 K HN -0.031 nan 8.250 nan 0.000 0.447 472 F N 0.902 120.714 119.950 -0.230 0.000 2.259 472 F HA 0.203 4.730 4.527 0.001 0.000 0.298 472 F C 1.296 177.065 175.800 -0.053 0.000 1.088 472 F CA 0.990 58.817 58.000 -0.288 0.000 1.358 472 F CB -0.700 37.826 39.000 -0.791 0.000 1.040 472 F HN 0.360 nan 8.300 nan 0.000 0.505 473 G N 0.092 109.028 108.800 0.228 0.000 2.539 473 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 473 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 473 G C 0.620 175.675 174.900 0.258 0.000 1.258 473 G CA -0.244 44.978 45.100 0.204 0.000 0.846 473 G HN 0.303 nan 8.290 nan 0.000 0.647 474 K N -0.275 120.230 120.400 0.176 0.000 2.147 474 K HA 0.000 4.321 4.320 0.001 0.000 0.205 474 K C 1.517 178.224 176.600 0.179 0.000 1.049 474 K CA 1.807 58.188 56.287 0.156 0.000 0.936 474 K CB 0.060 32.620 32.500 0.100 0.000 0.722 474 K HN 0.318 nan 8.250 nan 0.000 0.446 475 E N 0.476 120.788 120.200 0.186 0.000 2.208 475 E HA -0.145 4.206 4.350 0.001 0.000 0.193 475 E C 1.498 178.203 176.600 0.175 0.000 0.988 475 E CA 0.703 57.208 56.400 0.175 0.000 0.828 475 E CB -0.224 29.555 29.700 0.132 0.000 0.763 475 E HN 0.539 nan 8.360 nan 0.000 0.478 476 W N 1.774 123.114 121.300 0.067 0.000 2.354 476 W HA -0.152 4.509 4.660 0.000 0.000 0.315 476 W C 2.314 178.875 176.519 0.071 0.000 1.206 476 W CA 2.380 59.763 57.345 0.062 0.000 1.290 476 W CB -0.589 28.935 29.460 0.106 0.000 1.152 476 W HN 0.024 nan 8.180 nan 0.000 0.489 477 A N -0.528 122.307 122.820 0.025 0.000 1.908 477 A HA -0.314 4.007 4.320 0.001 0.000 0.218 477 A C 1.985 179.482 177.584 -0.146 0.000 1.181 477 A CA 2.232 54.155 52.037 -0.189 0.000 0.627 477 A CB -1.494 17.533 19.000 0.045 0.000 0.818 477 A HN 0.585 nan 8.150 nan 0.000 0.445 478 H N 0.137 119.117 119.070 -0.150 0.000 2.321 478 H HA 0.049 4.605 4.556 0.001 0.000 0.300 478 H C 2.135 177.332 175.328 -0.218 0.000 1.087 478 H CA 1.885 57.830 56.048 -0.172 0.000 1.319 478 H CB -0.430 29.261 29.762 -0.118 0.000 1.379 478 H HN 0.368 nan 8.280 nan 0.000 0.501 479 A N -1.345 121.341 122.820 -0.223 0.000 1.975 479 A HA 0.019 4.339 4.320 0.001 0.000 0.215 479 A C 2.323 179.741 177.584 -0.276 0.000 1.170 479 A CA 1.421 53.283 52.037 -0.291 0.000 0.656 479 A CB -0.210 18.653 19.000 -0.228 0.000 0.821 479 A HN 0.492 nan 8.150 nan 0.000 0.449 480 T N -1.033 113.272 114.554 -0.415 0.000 3.015 480 T HA 0.315 4.665 4.350 0.001 0.000 0.250 480 T C 1.462 175.898 174.700 -0.440 0.000 1.057 480 T CA 0.633 62.444 62.100 -0.482 0.000 1.066 480 T CB 0.029 68.404 68.868 -0.821 0.000 0.959 480 T HN 0.346 nan 8.240 nan 0.000 0.488 481 I N -0.193 120.118 120.570 -0.431 0.000 3.443 481 I HA 0.218 4.389 4.170 0.001 0.000 0.277 481 I C 1.821 177.842 176.117 -0.160 0.000 1.169 481 I CA 0.228 61.354 61.300 -0.289 0.000 1.419 481 I CB 0.107 37.921 38.000 -0.311 0.000 1.331 481 I HN 0.067 nan 8.210 nan 0.000 0.458 482 I N 2.020 122.514 120.570 -0.126 0.000 2.194 482 I HA -0.216 3.954 4.170 0.001 0.000 0.246 482 I C -0.529 175.551 176.117 -0.063 0.000 1.093 482 I CA 1.882 63.141 61.300 -0.070 0.000 1.355 482 I CB -1.629 36.348 38.000 -0.038 0.000 1.046 482 I HN 0.155 nan 8.210 nan 0.000 0.413 483 P HA -0.196 nan 4.420 nan 0.000 0.215 483 P C 1.493 178.757 177.300 -0.060 0.000 1.157 483 P CA 1.427 64.487 63.100 -0.067 0.000 0.874 483 P CB -0.055 31.592 31.700 -0.088 0.000 0.790 484 K N -0.542 119.813 120.400 -0.076 0.000 2.097 484 K HA -0.050 4.270 4.320 0.001 0.000 0.205 484 K C 2.024 178.587 176.600 -0.062 0.000 1.050 484 K CA 1.036 57.281 56.287 -0.071 0.000 0.938 484 K CB -1.150 31.300 32.500 -0.084 0.000 0.718 484 K HN 0.089 nan 8.250 nan 0.000 0.442 485 V N 2.144 122.023 119.914 -0.058 0.000 2.295 485 V HA -0.238 3.882 4.120 0.001 0.000 0.246 485 V C 2.495 178.567 176.094 -0.036 0.000 1.049 485 V CA 1.538 63.811 62.300 -0.046 0.000 1.024 485 V CB -0.492 31.308 31.823 -0.039 0.000 0.648 485 V HN 0.208 nan 8.190 nan 0.000 0.447 486 L N 0.126 121.332 121.223 -0.028 0.000 2.017 486 L HA -0.155 4.185 4.340 0.001 0.000 0.208 486 L C 2.803 179.665 176.870 -0.015 0.000 1.073 486 L CA 1.595 56.425 54.840 -0.016 0.000 0.745 486 L CB -0.946 41.111 42.059 -0.004 0.000 0.894 486 L HN 0.377 nan 8.230 nan 0.000 0.432 487 A N 0.907 123.714 122.820 -0.020 0.000 1.997 487 A HA -0.260 4.060 4.320 0.001 0.000 0.221 487 A C 2.185 179.765 177.584 -0.006 0.000 1.172 487 A CA 2.366 54.394 52.037 -0.016 0.000 0.645 487 A CB -0.602 18.382 19.000 -0.026 0.000 0.813 487 A HN 0.650 nan 8.150 nan 0.000 0.454 488 M N -0.727 118.866 119.600 -0.012 0.000 2.495 488 M HA 0.114 4.595 4.480 0.001 0.000 0.237 488 M C 1.574 177.894 176.300 0.032 0.000 1.131 488 M CA 1.079 56.389 55.300 0.015 0.000 1.032 488 M CB -0.298 32.288 32.600 -0.024 0.000 1.513 488 M HN 0.310 nan 8.290 nan 0.000 0.488 489 S N 0.913 116.616 115.700 0.006 0.000 2.400 489 S HA -0.044 4.427 4.470 0.001 0.000 0.232 489 S C 1.655 176.259 174.600 0.008 0.000 1.025 489 S CA 1.141 59.339 58.200 -0.003 0.000 0.993 489 S CB -1.045 62.146 63.200 -0.015 0.000 0.808 489 S HN 0.676 nan 8.310 nan 0.000 0.478 490 G N 0.991 109.801 108.800 0.016 0.000 3.702 490 G HA2 0.394 4.354 3.960 0.001 0.000 0.288 490 G HA3 0.394 4.354 3.960 0.001 0.000 0.288 490 G C -1.036 173.881 174.900 0.028 0.000 1.193 490 G CA -0.546 44.563 45.100 0.016 0.000 0.952 490 G HN 0.328 nan 8.290 nan 0.000 0.544 491 D N 1.198 121.629 120.400 0.050 0.000 2.264 491 D HA 0.252 4.893 4.640 0.001 0.000 0.250 491 D C -0.893 175.415 176.300 0.014 0.000 1.113 491 D CA -1.755 52.281 54.000 0.060 0.000 0.871 491 D CB 2.321 43.222 40.800 0.167 0.000 1.167 491 D HN -0.007 nan 8.370 nan 0.000 0.447 492 P HA -0.199 nan 4.420 nan 0.000 0.218 492 P C 0.110 177.376 177.300 -0.056 0.000 1.146 492 P CA 0.802 63.884 63.100 -0.031 0.000 0.813 492 P CB 0.236 31.915 31.700 -0.035 0.000 0.778 493 N N 0.559 119.188 118.700 -0.119 0.000 2.415 493 N HA -0.056 4.684 4.740 0.001 0.000 0.246 493 N C 1.114 176.634 175.510 0.017 0.000 1.078 493 N CA -0.666 52.296 53.050 -0.147 0.000 0.942 493 N CB -0.006 38.237 38.487 -0.408 0.000 1.140 493 N HN -0.027 nan 8.380 nan 0.000 0.501 494 Y N 3.663 123.903 120.300 -0.098 0.000 2.365 494 Y HA -0.134 4.416 4.550 0.000 0.000 0.287 494 Y C 1.316 177.200 175.900 -0.027 0.000 1.162 494 Y CA 0.811 58.876 58.100 -0.058 0.000 1.260 494 Y CB -0.927 37.505 38.460 -0.047 0.000 0.976 494 Y HN 0.490 nan 8.280 nan 0.000 0.548 495 L N 0.704 122.100 121.223 0.289 0.000 2.083 495 L HA -0.176 4.164 4.340 0.001 0.000 0.209 495 L C 2.530 179.483 176.870 0.138 0.000 1.083 495 L CA 1.967 56.831 54.840 0.041 0.000 0.752 495 L CB -0.863 41.324 42.059 0.213 0.000 0.899 495 L HN 0.407 nan 8.230 nan 0.000 0.433 496 H N -1.493 117.594 119.070 0.029 0.000 2.363 496 H HA -0.058 4.499 4.556 0.000 0.000 0.301 496 H C 2.257 177.558 175.328 -0.045 0.000 1.074 496 H CA 0.873 56.921 56.048 0.001 0.000 1.354 496 H CB 0.134 29.905 29.762 0.015 0.000 1.397 496 H HN 0.283 nan 8.280 nan 0.000 0.516 497 R N 0.343 120.890 120.500 0.079 0.000 2.096 497 R HA -0.110 4.230 4.340 0.001 0.000 0.235 497 R C 2.266 178.470 176.300 -0.160 0.000 1.127 497 R CA 1.298 57.380 56.100 -0.030 0.000 0.968 497 R CB -0.085 30.202 30.300 -0.020 0.000 0.861 497 R HN 0.347 nan 8.270 nan 0.000 0.440 498 M N -0.436 119.013 119.600 -0.252 0.000 2.254 498 M HA -0.092 4.389 4.480 0.001 0.000 0.265 498 M C 1.955 177.963 176.300 -0.486 0.000 1.066 498 M CA 1.411 56.400 55.300 -0.520 0.000 1.123 498 M CB -0.097 32.158 32.600 -0.576 0.000 1.388 498 M HN 0.098 nan 8.290 nan 0.000 0.425 499 T N 0.201 114.680 114.554 -0.126 0.000 2.803 499 T HA -0.141 4.209 4.350 0.001 0.000 0.269 499 T C 1.715 176.400 174.700 -0.026 0.000 1.052 499 T CA 1.881 64.005 62.100 0.041 0.000 1.136 499 T CB -0.407 68.491 68.868 0.050 0.000 0.864 499 T HN 0.419 nan 8.240 nan 0.000 0.467 500 T N 2.288 116.787 114.554 -0.092 0.000 2.708 500 T HA 0.044 4.394 4.350 0.001 0.000 0.266 500 T C 1.986 176.619 174.700 -0.111 0.000 1.037 500 T CA 0.901 62.952 62.100 -0.082 0.000 1.146 500 T CB -0.437 68.385 68.868 -0.078 0.000 0.865 500 T HN 0.269 nan 8.240 nan 0.000 0.435 501 L N -0.183 120.901 121.223 -0.231 0.000 2.017 501 L HA -0.055 4.285 4.340 0.001 0.000 0.208 501 L C 2.406 179.190 176.870 -0.144 0.000 1.073 501 L CA 1.332 56.019 54.840 -0.255 0.000 0.745 501 L CB -0.669 41.130 42.059 -0.433 0.000 0.894 501 L HN 0.195 nan 8.230 nan 0.000 0.432 502 F N -0.540 119.373 119.950 -0.061 0.000 2.202 502 F HA -0.219 4.308 4.527 0.001 0.000 0.301 502 F C 2.635 178.413 175.800 -0.037 0.000 1.082 502 F CA 0.671 58.640 58.000 -0.052 0.000 1.313 502 F CB -1.462 37.508 39.000 -0.050 0.000 1.024 502 F HN 0.154 nan 8.300 nan 0.000 0.495 503 C N -0.122 119.260 119.300 0.137 0.000 2.457 503 C HA -0.066 4.394 4.460 0.001 0.000 0.278 503 C C 2.897 177.911 174.990 0.040 0.000 1.309 503 C CA 0.289 59.351 59.018 0.073 0.000 1.735 503 C CB -1.112 26.649 27.740 0.036 0.000 1.992 503 C HN 0.391 nan 8.230 nan 0.000 0.493 504 I N 1.602 122.183 120.570 0.017 0.000 2.286 504 I HA -0.205 3.965 4.170 0.001 0.000 0.248 504 I C 2.112 178.237 176.117 0.013 0.000 1.115 504 I CA 1.540 62.841 61.300 0.002 0.000 1.392 504 I CB -0.666 37.321 38.000 -0.022 0.000 1.065 504 I HN 0.512 nan 8.210 nan 0.000 0.418 505 N N 0.196 118.915 118.700 0.033 0.000 2.149 505 N HA -0.148 4.592 4.740 0.001 0.000 0.188 505 N C 1.798 177.325 175.510 0.028 0.000 1.019 505 N CA 1.036 54.108 53.050 0.036 0.000 0.857 505 N CB 0.082 38.613 38.487 0.073 0.000 0.997 505 N HN 0.148 nan 8.380 nan 0.000 0.426 506 V N 1.165 121.100 119.914 0.035 0.000 2.500 506 V HA -0.050 4.071 4.120 0.001 0.000 0.243 506 V C 2.098 178.205 176.094 0.022 0.000 1.039 506 V CA 0.880 63.195 62.300 0.025 0.000 1.053 506 V CB -0.305 31.535 31.823 0.029 0.000 0.695 506 V HN 0.249 nan 8.190 nan 0.000 0.463 507 L N 1.022 122.259 121.223 0.023 0.000 2.131 507 L HA -0.146 4.194 4.340 0.001 0.000 0.210 507 L C 2.755 179.633 176.870 0.012 0.000 1.092 507 L CA 1.664 56.515 54.840 0.018 0.000 0.759 507 L CB -0.654 41.410 42.059 0.008 0.000 0.903 507 L HN 0.559 nan 8.230 nan 0.000 0.435 508 S N -0.248 115.456 115.700 0.007 0.000 2.348 508 S HA -0.234 4.236 4.470 0.001 0.000 0.221 508 S C 1.676 176.279 174.600 0.005 0.000 1.033 508 S CA 1.203 59.404 58.200 0.002 0.000 1.010 508 S CB -0.571 62.628 63.200 -0.002 0.000 0.891 508 S HN 0.465 nan 8.310 nan 0.000 0.442 509 E N 0.707 120.912 120.200 0.007 0.000 2.169 509 E HA -0.152 4.199 4.350 0.001 0.000 0.202 509 E C 1.889 178.496 176.600 0.012 0.000 1.016 509 E CA 1.709 58.114 56.400 0.007 0.000 0.817 509 E CB -0.343 29.361 29.700 0.007 0.000 0.736 509 E HN 0.526 nan 8.360 nan 0.000 0.462 510 V N -0.589 119.336 119.914 0.018 0.000 3.212 510 V HA -0.067 4.053 4.120 0.001 0.000 0.244 510 V C 1.995 178.108 176.094 0.032 0.000 1.151 510 V CA 0.469 62.785 62.300 0.027 0.000 1.119 510 V CB 0.390 32.235 31.823 0.037 0.000 0.838 510 V HN 0.371 nan 8.190 nan 0.000 0.470 511 C N 1.077 120.393 119.300 0.026 0.000 2.437 511 C HA 0.415 4.876 4.460 0.001 0.000 0.283 511 C C 1.542 176.539 174.990 0.011 0.000 1.424 511 C CA 0.528 59.558 59.018 0.021 0.000 1.782 511 C CB -1.698 26.041 27.740 -0.001 0.000 1.833 511 C HN 0.853 nan 8.230 nan 0.000 0.532 512 G N -0.632 108.173 108.800 0.009 0.000 2.712 512 G HA2 -0.193 3.767 3.960 0.001 0.000 0.683 512 G HA3 -0.193 3.767 3.960 0.001 0.000 0.683 512 G C 0.188 175.085 174.900 -0.005 0.000 1.320 512 G CA 0.202 45.305 45.100 0.005 0.000 0.847 512 G HN 0.293 nan 8.290 nan 0.000 0.553 513 Q N -0.776 119.020 119.800 -0.006 0.000 1.993 513 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 513 Q C 2.146 178.131 176.000 -0.025 0.000 0.984 513 Q CA 2.238 58.032 55.803 -0.014 0.000 0.837 513 Q CB -0.193 28.538 28.738 -0.011 0.000 0.902 513 Q HN 0.671 nan 8.270 nan 0.000 0.423 514 D N 0.388 120.774 120.400 -0.024 0.000 2.092 514 D HA -0.195 4.445 4.640 0.001 0.000 0.193 514 D C 2.037 178.299 176.300 -0.063 0.000 0.994 514 D CA 1.471 55.447 54.000 -0.040 0.000 0.828 514 D CB -0.283 40.504 40.800 -0.022 0.000 0.963 514 D HN 0.369 nan 8.370 nan 0.000 0.450 515 I N 1.107 121.654 120.570 -0.038 0.000 2.163 515 I HA -0.265 3.906 4.170 0.001 0.000 0.243 515 I C 2.484 178.583 176.117 -0.031 0.000 1.085 515 I CA 1.173 62.459 61.300 -0.025 0.000 1.347 515 I CB -0.442 37.519 38.000 -0.066 0.000 1.044 515 I HN -0.002 nan 8.210 nan 0.000 0.408 516 T N -0.047 114.487 114.554 -0.033 0.000 2.720 516 T HA -0.175 4.175 4.350 0.001 0.000 0.268 516 T C 1.876 176.549 174.700 -0.046 0.000 1.037 516 T CA 2.086 64.169 62.100 -0.028 0.000 1.144 516 T CB -0.366 68.489 68.868 -0.022 0.000 0.864 516 T HN 0.382 nan 8.240 nan 0.000 0.444 517 T N 1.247 115.764 114.554 -0.062 0.000 2.777 517 T HA -0.039 4.311 4.350 0.001 0.000 0.266 517 T C 1.976 176.606 174.700 -0.116 0.000 1.040 517 T CA 1.143 63.200 62.100 -0.073 0.000 1.141 517 T CB -0.069 68.760 68.868 -0.064 0.000 0.868 517 T HN 0.378 nan 8.240 nan 0.000 0.444 518 K N -0.314 119.966 120.400 -0.200 0.000 2.137 518 K HA -0.031 4.289 4.320 0.001 0.000 0.202 518 K C 1.875 178.228 176.600 -0.411 0.000 1.052 518 K CA 0.824 56.901 56.287 -0.349 0.000 0.961 518 K CB 0.134 32.314 32.500 -0.534 0.000 0.741 518 K HN 0.394 nan 8.250 nan 0.000 0.452 519 H N -1.182 117.843 119.070 -0.074 0.000 2.648 519 H HA 0.193 4.750 4.556 0.001 0.000 0.265 519 H C 1.385 176.681 175.328 -0.054 0.000 0.961 519 H CA 0.527 56.536 56.048 -0.066 0.000 1.185 519 H CB 0.722 30.415 29.762 -0.115 0.000 1.449 519 H HN 0.225 nan 8.280 nan 0.000 0.523 520 M N -0.745 118.873 119.600 0.030 0.000 2.627 520 M HA 0.030 4.510 4.480 0.001 0.000 0.236 520 M C 1.933 178.223 176.300 -0.015 0.000 1.483 520 M CA 0.122 55.427 55.300 0.007 0.000 1.139 520 M CB 0.394 32.994 32.600 -0.000 0.000 1.399 520 M HN 0.010 nan 8.290 nan 0.000 0.549 521 L N 2.420 123.627 121.223 -0.026 0.000 2.013 521 L HA -0.086 4.255 4.340 0.001 0.000 0.212 521 L C -0.917 175.936 176.870 -0.028 0.000 1.073 521 L CA 2.541 57.364 54.840 -0.029 0.000 0.753 521 L CB -1.489 40.550 42.059 -0.034 0.000 0.890 521 L HN 0.012 nan 8.230 nan 0.000 0.432 522 P HA -0.158 nan 4.420 nan 0.000 0.215 522 P C 1.651 178.939 177.300 -0.020 0.000 1.157 522 P CA 2.220 65.306 63.100 -0.024 0.000 0.874 522 P CB -0.209 31.477 31.700 -0.024 0.000 0.790 523 T N -0.795 113.749 114.554 -0.017 0.000 2.746 523 T HA -0.110 4.240 4.350 0.001 0.000 0.267 523 T C 1.814 176.496 174.700 -0.030 0.000 1.039 523 T CA 1.354 63.442 62.100 -0.020 0.000 1.142 523 T CB -1.041 67.816 68.868 -0.017 0.000 0.866 523 T HN -0.114 nan 8.240 nan 0.000 0.444 524 V N 1.589 121.482 119.914 -0.034 0.000 2.343 524 V HA -0.130 3.990 4.120 0.001 0.000 0.247 524 V C 2.483 178.556 176.094 -0.035 0.000 1.051 524 V CA 1.466 63.740 62.300 -0.043 0.000 1.036 524 V CB -0.750 31.047 31.823 -0.042 0.000 0.654 524 V HN 0.442 nan 8.190 nan 0.000 0.451 525 L N -0.359 120.848 121.223 -0.026 0.000 2.017 525 L HA -0.200 4.141 4.340 0.001 0.000 0.208 525 L C 2.734 179.594 176.870 -0.017 0.000 1.073 525 L CA 1.950 56.779 54.840 -0.020 0.000 0.745 525 L CB -0.630 41.419 42.059 -0.017 0.000 0.894 525 L HN 0.249 nan 8.230 nan 0.000 0.432 526 R N 0.201 120.690 120.500 -0.018 0.000 2.091 526 R HA -0.173 4.168 4.340 0.001 0.000 0.238 526 R C 2.352 178.641 176.300 -0.018 0.000 1.136 526 R CA 1.450 57.541 56.100 -0.015 0.000 0.959 526 R CB -0.124 30.167 30.300 -0.014 0.000 0.856 526 R HN 0.190 nan 8.270 nan 0.000 0.437 527 M N 0.133 119.716 119.600 -0.027 0.000 2.267 527 M HA -0.116 4.365 4.480 0.001 0.000 0.263 527 M C 2.275 178.558 176.300 -0.028 0.000 1.063 527 M CA 1.621 56.900 55.300 -0.036 0.000 1.090 527 M CB -1.055 31.509 32.600 -0.061 0.000 1.392 527 M HN 0.347 nan 8.290 nan 0.000 0.422 528 A N 0.769 123.576 122.820 -0.020 0.000 1.971 528 A HA -0.122 4.198 4.320 0.001 0.000 0.222 528 A C 2.091 179.676 177.584 0.002 0.000 1.182 528 A CA 2.041 54.074 52.037 -0.007 0.000 0.649 528 A CB -1.397 17.603 19.000 -0.001 0.000 0.818 528 A HN 0.585 nan 8.150 nan 0.000 0.458 529 G N -0.531 108.269 108.800 0.000 0.000 3.562 529 G HA2 0.360 4.320 3.960 0.001 0.000 0.279 529 G HA3 0.360 4.320 3.960 0.001 0.000 0.279 529 G C -0.344 174.559 174.900 0.005 0.000 1.314 529 G CA 0.288 45.391 45.100 0.005 0.000 1.189 529 G HN 0.473 nan 8.290 nan 0.000 0.562 530 D N -0.124 120.277 120.400 0.002 0.000 2.302 530 D HA 0.315 4.956 4.640 0.001 0.000 0.248 530 D C -0.985 175.326 176.300 0.017 0.000 1.094 530 D CA -1.743 52.259 54.000 0.004 0.000 0.897 530 D CB 2.076 42.870 40.800 -0.010 0.000 1.200 530 D HN -0.071 nan 8.370 nan 0.000 0.429 531 P HA -0.121 nan 4.420 nan 0.000 0.213 531 P C -0.257 177.068 177.300 0.042 0.000 1.170 531 P CA 0.606 63.720 63.100 0.024 0.000 0.898 531 P CB 0.112 31.820 31.700 0.014 0.000 0.787 532 V N 0.810 120.759 119.914 0.058 0.000 2.425 532 V HA 0.045 4.165 4.120 0.001 0.000 0.276 532 V C 1.677 177.828 176.094 0.095 0.000 1.017 532 V CA 0.665 63.026 62.300 0.102 0.000 1.062 532 V CB -0.114 31.833 31.823 0.206 0.000 0.997 532 V HN 0.135 nan 8.190 nan 0.000 0.476 533 A N 4.432 127.326 122.820 0.124 0.000 2.070 533 A HA -0.170 4.151 4.320 0.001 0.000 0.220 533 A C 2.012 179.722 177.584 0.210 0.000 1.159 533 A CA 1.726 53.864 52.037 0.167 0.000 0.656 533 A CB -0.642 18.475 19.000 0.195 0.000 0.800 533 A HN 0.839 nan 8.150 nan 0.000 0.453 534 N N -0.231 118.578 118.700 0.182 0.000 2.289 534 N HA -0.118 4.622 4.740 0.001 0.000 0.184 534 N C 1.338 176.505 175.510 -0.572 0.000 1.016 534 N CA 1.635 54.692 53.050 0.012 0.000 0.872 534 N CB -0.170 38.441 38.487 0.206 0.000 0.973 534 N HN 0.198 nan 8.380 nan 0.000 0.433 535 V N 0.173 119.929 119.914 -0.263 0.000 2.379 535 V HA -0.037 4.084 4.120 0.001 0.000 0.243 535 V C 2.268 178.192 176.094 -0.282 0.000 1.035 535 V CA 1.263 63.378 62.300 -0.308 0.000 1.035 535 V CB -0.377 31.361 31.823 -0.141 0.000 0.673 535 V HN 0.263 nan 8.190 nan 0.000 0.457 536 R N 0.301 120.728 120.500 -0.122 0.000 2.091 536 R HA -0.200 4.140 4.340 0.001 0.000 0.238 536 R C 2.272 178.597 176.300 0.041 0.000 1.136 536 R CA 2.216 58.303 56.100 -0.022 0.000 0.959 536 R CB -0.590 29.745 30.300 0.059 0.000 0.856 536 R HN 0.711 nan 8.270 nan 0.000 0.437 537 F N 0.173 120.185 119.950 0.104 0.000 2.502 537 F HA 0.058 4.586 4.527 0.000 0.000 0.298 537 F C 1.464 177.340 175.800 0.126 0.000 1.111 537 F CA 0.694 58.808 58.000 0.190 0.000 1.445 537 F CB -0.502 38.699 39.000 0.336 0.000 1.081 537 F HN -0.144 nan 8.300 nan 0.000 0.558 538 N N 0.535 119.001 118.700 -0.390 0.000 2.416 538 N HA -0.051 4.690 4.740 0.001 0.000 0.177 538 N C 1.664 177.069 175.510 -0.175 0.000 1.036 538 N CA 0.848 53.699 53.050 -0.331 0.000 0.901 538 N CB -0.080 38.061 38.487 -0.576 0.000 0.976 538 N HN 0.212 nan 8.380 nan 0.000 0.444 539 V N 0.493 120.328 119.914 -0.132 0.000 2.270 539 V HA -0.178 3.942 4.120 0.001 0.000 0.245 539 V C 2.280 178.355 176.094 -0.031 0.000 1.043 539 V CA 1.868 64.118 62.300 -0.082 0.000 1.014 539 V CB -1.012 30.779 31.823 -0.053 0.000 0.645 539 V HN 0.365 nan 8.190 nan 0.000 0.447 540 A N -0.108 122.726 122.820 0.023 0.000 1.948 540 A HA -0.279 4.042 4.320 0.001 0.000 0.220 540 A C 2.245 179.828 177.584 -0.002 0.000 1.177 540 A CA 2.179 54.240 52.037 0.040 0.000 0.636 540 A CB -0.457 18.613 19.000 0.116 0.000 0.815 540 A HN 0.607 nan 8.150 nan 0.000 0.449 541 K N -0.354 120.029 120.400 -0.028 0.000 2.097 541 K HA -0.035 4.285 4.320 0.001 0.000 0.205 541 K C 2.278 178.849 176.600 -0.049 0.000 1.050 541 K CA 1.421 57.658 56.287 -0.083 0.000 0.938 541 K CB -0.192 32.234 32.500 -0.124 0.000 0.718 541 K HN 0.393 nan 8.250 nan 0.000 0.442 542 S N 1.451 117.126 115.700 -0.042 0.000 2.387 542 S HA 0.001 4.471 4.470 0.001 0.000 0.226 542 S C 1.916 176.499 174.600 -0.027 0.000 1.026 542 S CA 0.774 58.954 58.200 -0.033 0.000 0.972 542 S CB -0.131 63.037 63.200 -0.055 0.000 0.814 542 S HN 0.179 nan 8.310 nan 0.000 0.477 543 L N 1.399 122.606 121.223 -0.027 0.000 2.083 543 L HA -0.161 4.180 4.340 0.001 0.000 0.209 543 L C 2.817 179.676 176.870 -0.017 0.000 1.083 543 L CA 1.379 56.208 54.840 -0.020 0.000 0.752 543 L CB -0.469 41.581 42.059 -0.014 0.000 0.899 543 L HN 0.431 nan 8.230 nan 0.000 0.433 544 Q N 0.475 120.262 119.800 -0.021 0.000 2.172 544 Q HA -0.241 4.100 4.340 0.001 0.000 0.200 544 Q C 2.182 178.170 176.000 -0.020 0.000 0.964 544 Q CA 1.443 57.233 55.803 -0.022 0.000 0.855 544 Q CB 0.135 28.853 28.738 -0.033 0.000 0.918 544 Q HN 0.348 nan 8.270 nan 0.000 0.444 545 K N 0.495 120.882 120.400 -0.020 0.000 2.116 545 K HA -0.054 4.266 4.320 0.001 0.000 0.203 545 K C 2.066 178.660 176.600 -0.010 0.000 1.052 545 K CA 1.200 57.479 56.287 -0.014 0.000 0.952 545 K CB -0.007 32.487 32.500 -0.009 0.000 0.729 545 K HN 0.483 nan 8.250 nan 0.000 0.446 546 I N -3.623 116.940 120.570 -0.011 0.000 3.645 546 I HA 0.223 4.393 4.170 0.001 0.000 0.300 546 I C 1.860 177.970 176.117 -0.011 0.000 1.260 546 I CA 0.475 61.769 61.300 -0.010 0.000 1.365 546 I CB -0.192 37.800 38.000 -0.013 0.000 1.077 546 I HN -0.007 nan 8.210 nan 0.000 0.439 547 G N 3.446 112.239 108.800 -0.012 0.000 2.513 547 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 547 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 547 G C -0.136 174.758 174.900 -0.009 0.000 1.160 547 G CA 1.291 46.385 45.100 -0.011 0.000 0.767 547 G HN 0.445 nan 8.290 nan 0.000 0.571 548 P HA 0.041 nan 4.420 nan 0.000 0.234 548 P C 1.488 178.784 177.300 -0.005 0.000 1.167 548 P CA 0.624 63.721 63.100 -0.005 0.000 0.763 548 P CB -0.026 31.671 31.700 -0.004 0.000 0.835 549 I N -1.214 119.352 120.570 -0.007 0.000 2.852 549 I HA -0.018 4.152 4.170 0.001 0.000 0.264 549 I C 1.405 177.517 176.117 -0.009 0.000 1.179 549 I CA 0.121 61.417 61.300 -0.006 0.000 1.480 549 I CB -0.142 37.854 38.000 -0.007 0.000 1.111 549 I HN -0.155 nan 8.210 nan 0.000 0.441 550 L N 0.955 122.172 121.223 -0.011 0.000 2.472 550 L HA 0.110 4.450 4.340 0.001 0.000 0.260 550 L C 0.127 176.990 176.870 -0.011 0.000 1.209 550 L CA -0.629 54.203 54.840 -0.014 0.000 0.817 550 L CB -0.022 42.028 42.059 -0.016 0.000 1.106 550 L HN 0.175 nan 8.230 nan 0.000 0.479 551 D N -0.775 119.618 120.400 -0.012 0.000 2.362 551 D HA -0.025 4.615 4.640 0.001 0.000 0.242 551 D C 0.689 176.984 176.300 -0.009 0.000 1.132 551 D CA -0.481 53.514 54.000 -0.010 0.000 0.907 551 D CB 0.583 41.377 40.800 -0.011 0.000 1.195 551 D HN 0.546 nan 8.370 nan 0.000 0.429 552 N N 1.044 119.740 118.700 -0.006 0.000 2.149 552 N HA -0.235 4.505 4.740 0.001 0.000 0.188 552 N C 1.252 176.759 175.510 -0.006 0.000 1.019 552 N CA 1.797 54.843 53.050 -0.005 0.000 0.857 552 N CB -0.008 38.477 38.487 -0.003 0.000 0.997 552 N HN 0.421 nan 8.380 nan 0.000 0.426 553 S N -0.998 114.698 115.700 -0.006 0.000 2.343 553 S HA -0.127 4.344 4.470 0.001 0.000 0.219 553 S C 1.931 176.526 174.600 -0.008 0.000 1.033 553 S CA 1.698 59.894 58.200 -0.007 0.000 1.014 553 S CB -0.863 62.333 63.200 -0.007 0.000 0.915 553 S HN 0.457 nan 8.310 nan 0.000 0.435 554 T N 3.008 117.556 114.554 -0.011 0.000 2.665 554 T HA -0.123 4.227 4.350 0.001 0.000 0.268 554 T C 1.802 176.495 174.700 -0.011 0.000 1.035 554 T CA 1.431 63.523 62.100 -0.013 0.000 1.151 554 T CB -0.634 68.224 68.868 -0.017 0.000 0.862 554 T HN 0.207 nan 8.240 nan 0.000 0.438 555 L N 1.235 122.452 121.223 -0.010 0.000 2.021 555 L HA -0.202 4.139 4.340 0.001 0.000 0.215 555 L C 2.432 179.299 176.870 -0.006 0.000 1.074 555 L CA 1.859 56.694 54.840 -0.008 0.000 0.760 555 L CB -0.648 41.407 42.059 -0.007 0.000 0.889 555 L HN 0.292 nan 8.230 nan 0.000 0.433 556 Q N -1.022 118.775 119.800 -0.005 0.000 2.096 556 Q HA -0.094 4.247 4.340 0.001 0.000 0.197 556 Q C 2.249 178.247 176.000 -0.003 0.000 0.964 556 Q CA 1.673 57.474 55.803 -0.003 0.000 0.838 556 Q CB -0.219 28.518 28.738 -0.002 0.000 0.906 556 Q HN 0.780 nan 8.270 nan 0.000 0.444 557 S N 0.109 115.806 115.700 -0.005 0.000 2.414 557 S HA -0.054 4.416 4.470 0.001 0.000 0.227 557 S C 1.504 176.101 174.600 -0.006 0.000 1.022 557 S CA 0.739 58.936 58.200 -0.005 0.000 0.958 557 S CB 0.108 63.304 63.200 -0.006 0.000 0.797 557 S HN 0.141 nan 8.310 nan 0.000 0.493 558 E N 1.160 121.355 120.200 -0.008 0.000 2.083 558 E HA 0.120 4.470 4.350 0.001 0.000 0.193 558 E C 2.381 178.977 176.600 -0.007 0.000 0.950 558 E CA 1.066 57.461 56.400 -0.009 0.000 0.849 558 E CB -0.537 29.155 29.700 -0.013 0.000 0.827 558 E HN 0.362 nan 8.360 nan 0.000 0.465 559 V N 0.339 120.248 119.914 -0.007 0.000 2.453 559 V HA -0.100 4.020 4.120 0.001 0.000 0.247 559 V C 2.141 178.235 176.094 -0.001 0.000 1.048 559 V CA 1.964 64.261 62.300 -0.006 0.000 1.049 559 V CB -0.336 31.482 31.823 -0.008 0.000 0.672 559 V HN 0.174 nan 8.190 nan 0.000 0.457 560 K N 1.599 121.998 120.400 -0.001 0.000 2.001 560 K HA -0.127 4.193 4.320 0.001 0.000 0.214 560 K C 0.285 176.887 176.600 0.004 0.000 1.050 560 K CA 2.312 58.600 56.287 0.002 0.000 0.934 560 K CB -1.436 31.065 32.500 0.002 0.000 0.718 560 K HN 0.537 nan 8.250 nan 0.000 0.443 561 P HA -0.203 nan 4.420 nan 0.000 0.215 561 P C 1.625 178.929 177.300 0.007 0.000 1.153 561 P CA 1.364 64.467 63.100 0.005 0.000 0.853 561 P CB -0.196 31.506 31.700 0.002 0.000 0.788 562 I N -0.348 120.225 120.570 0.005 0.000 2.127 562 I HA -0.202 3.968 4.170 0.001 0.000 0.241 562 I C 2.760 178.885 176.117 0.013 0.000 1.075 562 I CA 1.329 62.633 61.300 0.007 0.000 1.334 562 I CB -1.492 36.509 38.000 0.002 0.000 1.040 562 I HN -0.056 nan 8.210 nan 0.000 0.405 563 L N 0.364 121.594 121.223 0.013 0.000 2.079 563 L HA -0.235 4.106 4.340 0.001 0.000 0.210 563 L C 2.519 179.403 176.870 0.023 0.000 1.081 563 L CA 1.471 56.323 54.840 0.019 0.000 0.752 563 L CB -0.507 41.560 42.059 0.014 0.000 0.896 563 L HN 0.327 nan 8.230 nan 0.000 0.433 564 E N -0.204 120.007 120.200 0.018 0.000 2.150 564 E HA -0.245 4.105 4.350 0.001 0.000 0.193 564 E C 2.038 178.651 176.600 0.022 0.000 0.985 564 E CA 0.742 57.154 56.400 0.019 0.000 0.814 564 E CB -0.021 29.688 29.700 0.015 0.000 0.752 564 E HN 0.337 nan 8.360 nan 0.000 0.466 565 K N 0.852 121.264 120.400 0.020 0.000 2.362 565 K HA -0.076 4.244 4.320 0.001 0.000 0.200 565 K C 1.787 178.404 176.600 0.028 0.000 1.046 565 K CA 0.528 56.827 56.287 0.021 0.000 0.952 565 K CB 0.182 32.692 32.500 0.016 0.000 0.753 565 K HN 0.111 nan 8.250 nan 0.000 0.466 566 L N -0.078 121.166 121.223 0.035 0.000 2.298 566 L HA -0.033 4.308 4.340 0.001 0.000 0.209 566 L C 2.163 179.065 176.870 0.054 0.000 1.084 566 L CA 1.034 55.904 54.840 0.049 0.000 0.816 566 L CB -0.189 41.906 42.059 0.060 0.000 0.967 566 L HN 0.276 nan 8.230 nan 0.000 0.460 567 T N -2.447 112.134 114.554 0.046 0.000 3.163 567 T HA -0.086 4.264 4.350 0.001 0.000 0.260 567 T C 0.967 175.689 174.700 0.037 0.000 1.156 567 T CA 0.518 62.645 62.100 0.045 0.000 1.072 567 T CB -0.133 68.759 68.868 0.039 0.000 0.937 567 T HN 0.519 nan 8.240 nan 0.000 0.528 568 Q N 0.556 120.375 119.800 0.033 0.000 3.079 568 Q HA 0.311 4.652 4.340 0.001 0.000 0.206 568 Q C 0.762 176.779 176.000 0.027 0.000 1.169 568 Q CA -0.426 55.393 55.803 0.027 0.000 0.340 568 Q CB -0.071 28.680 28.738 0.022 0.000 5.757 568 Q HN -0.004 nan 8.270 nan 0.000 0.307 569 D N 0.820 121.234 120.400 0.024 0.000 5.591 569 D HA -0.236 4.405 4.640 0.001 0.000 0.357 569 D C 0.239 176.555 176.300 0.027 0.000 1.674 569 D CA 2.083 56.096 54.000 0.023 0.000 1.017 569 D CB -0.424 40.389 40.800 0.022 0.000 0.725 569 D HN 0.391 nan 8.370 nan 0.000 0.843 570 Q N 1.728 121.550 119.800 0.035 0.000 2.299 570 Q HA 0.143 4.484 4.340 0.001 0.000 0.246 570 Q C 0.695 176.721 176.000 0.043 0.000 0.935 570 Q CA -0.013 55.816 55.803 0.043 0.000 0.887 570 Q CB 1.011 29.783 28.738 0.058 0.000 1.223 570 Q HN 0.391 nan 8.270 nan 0.000 0.439 571 D N 0.193 120.617 120.400 0.040 0.000 2.428 571 D HA 0.313 4.954 4.640 0.001 0.000 0.272 571 D C 0.811 177.131 176.300 0.034 0.000 1.195 571 D CA -0.494 53.523 54.000 0.029 0.000 1.105 571 D CB -0.414 40.397 40.800 0.019 0.000 1.109 571 D HN 0.253 nan 8.370 nan 0.000 0.433 572 V N 0.627 120.551 119.914 0.018 0.000 0.691 572 V HA -0.299 3.821 4.120 0.001 0.000 0.092 572 V C 0.483 176.544 176.094 -0.054 0.000 0.768 572 V CA 1.951 64.253 62.300 0.003 0.000 3.097 572 V CB -1.129 30.738 31.823 0.073 0.000 0.181 572 V HN 0.603 nan 8.190 nan 0.000 0.062 573 D N -0.499 119.829 120.400 -0.121 0.000 2.340 573 D HA 0.234 4.874 4.640 0.001 0.000 0.217 573 D C 0.948 177.186 176.300 -0.103 0.000 1.081 573 D CA 0.739 54.563 54.000 -0.294 0.000 0.842 573 D CB 0.583 40.951 40.800 -0.720 0.000 0.934 573 D HN 0.424 nan 8.370 nan 0.000 0.511 574 V N 0.173 120.145 119.914 0.096 0.000 3.623 574 V HA -0.048 4.072 4.120 0.001 0.000 0.274 574 V C 1.206 177.377 176.094 0.130 0.000 1.244 574 V CA 1.280 63.705 62.300 0.209 0.000 1.182 574 V CB -0.479 31.466 31.823 0.203 0.000 0.925 574 V HN 0.075 nan 8.190 nan 0.000 0.462 575 K N -1.498 118.947 120.400 0.075 0.000 2.353 575 K HA 0.096 4.416 4.320 0.001 0.000 0.206 575 K C 1.864 178.513 176.600 0.083 0.000 1.191 575 K CA 0.634 56.963 56.287 0.069 0.000 0.897 575 K CB -0.300 32.229 32.500 0.048 0.000 1.283 575 K HN 0.311 nan 8.250 nan 0.000 0.477 576 Y N 1.505 121.756 120.300 -0.082 0.000 2.097 576 Y HA -0.216 4.334 4.550 0.001 0.000 0.282 576 Y C 1.743 177.681 175.900 0.065 0.000 1.152 576 Y CA 1.502 59.549 58.100 -0.089 0.000 1.136 576 Y CB -0.343 37.958 38.460 -0.264 0.000 0.975 576 Y HN -0.078 nan 8.280 nan 0.000 0.498 577 F N 0.185 119.986 119.950 -0.249 0.000 2.234 577 F HA -0.061 4.467 4.527 0.000 0.000 0.299 577 F C 2.650 178.364 175.800 -0.143 0.000 1.087 577 F CA 0.748 58.579 58.000 -0.283 0.000 1.340 577 F CB -1.533 37.446 39.000 -0.035 0.000 1.031 577 F HN 0.216 nan 8.300 nan 0.000 0.500 578 A N -0.467 122.437 122.820 0.140 0.000 1.855 578 A HA -0.234 4.086 4.320 0.001 0.000 0.215 578 A C 2.159 179.763 177.584 0.033 0.000 1.191 578 A CA 1.734 53.822 52.037 0.084 0.000 0.613 578 A CB -0.869 18.182 19.000 0.085 0.000 0.829 578 A HN 0.327 nan 8.150 nan 0.000 0.442 579 Q N -0.217 119.596 119.800 0.022 0.000 2.050 579 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 579 Q C 1.989 177.980 176.000 -0.016 0.000 0.980 579 Q CA 2.014 57.825 55.803 0.014 0.000 0.840 579 Q CB -0.377 28.384 28.738 0.039 0.000 0.898 579 Q HN 0.574 nan 8.270 nan 0.000 0.424 580 E N -0.233 119.918 120.200 -0.083 0.000 2.147 580 E HA -0.242 4.108 4.350 0.001 0.000 0.199 580 E C 1.637 178.206 176.600 -0.053 0.000 1.005 580 E CA 1.409 57.741 56.400 -0.113 0.000 0.810 580 E CB -0.307 29.227 29.700 -0.277 0.000 0.736 580 E HN 0.463 nan 8.360 nan 0.000 0.460 581 A N 0.788 123.587 122.820 -0.035 0.000 1.841 581 A HA -0.115 4.205 4.320 0.001 0.000 0.214 581 A C 2.491 180.070 177.584 -0.009 0.000 1.195 581 A CA 1.191 53.215 52.037 -0.020 0.000 0.611 581 A CB -0.869 18.125 19.000 -0.009 0.000 0.835 581 A HN 0.279 nan 8.150 nan 0.000 0.443 582 L N -0.308 120.915 121.223 -0.001 0.000 2.089 582 L HA -0.257 4.083 4.340 0.001 0.000 0.213 582 L C 2.801 179.673 176.870 0.004 0.000 1.079 582 L CA 1.911 56.753 54.840 0.004 0.000 0.758 582 L CB -0.937 41.128 42.059 0.010 0.000 0.891 582 L HN 0.423 nan 8.230 nan 0.000 0.433 583 T N -0.810 113.747 114.554 0.004 0.000 2.639 583 T HA -0.148 4.203 4.350 0.001 0.000 0.261 583 T C 1.915 176.618 174.700 0.005 0.000 1.053 583 T CA 1.494 63.599 62.100 0.008 0.000 1.158 583 T CB -0.364 68.512 68.868 0.013 0.000 0.863 583 T HN 0.069 nan 8.240 nan 0.000 0.413 584 V N 1.371 121.285 119.914 0.000 0.000 2.546 584 V HA -0.097 4.023 4.120 0.001 0.000 0.254 584 V C 2.241 178.335 176.094 -0.001 0.000 1.076 584 V CA 1.208 63.508 62.300 -0.000 0.000 1.087 584 V CB -0.670 31.149 31.823 -0.006 0.000 0.674 584 V HN 0.283 nan 8.190 nan 0.000 0.470 585 L N -0.268 120.954 121.223 -0.002 0.000 2.509 585 L HA 0.197 4.537 4.340 0.001 0.000 0.222 585 L C 1.402 178.272 176.870 0.001 0.000 1.123 585 L CA 0.774 55.613 54.840 -0.002 0.000 0.856 585 L CB -0.462 41.595 42.059 -0.003 0.000 0.985 585 L HN 0.419 nan 8.230 nan 0.000 0.456 586 S N -0.666 115.035 115.700 0.003 0.000 3.749 586 S HA -0.183 4.287 4.470 0.001 0.000 0.348 586 S C 1.045 175.647 174.600 0.004 0.000 1.045 586 S CA 0.641 58.844 58.200 0.004 0.000 1.051 586 S CB -1.645 61.557 63.200 0.004 0.000 0.898 586 S HN 0.362 nan 8.310 nan 0.000 0.472 587 L N -0.967 120.258 121.223 0.004 0.000 2.609 587 L HA 0.352 4.692 4.340 0.001 0.000 0.230 587 L C 1.560 178.433 176.870 0.006 0.000 1.087 587 L CA 0.527 55.369 54.840 0.004 0.000 0.874 587 L CB -0.244 41.816 42.059 0.003 0.000 1.114 587 L HN 0.544 nan 8.230 nan 0.000 0.488 588 A N 0.000 122.825 122.820 0.008 0.000 2.254 588 A HA 0.000 4.320 4.320 0.001 0.000 0.244 588 A CA 0.000 52.043 52.037 0.010 0.000 0.836 588 A CB 0.000 19.007 19.000 0.012 0.000 0.831 588 A HN 0.000 nan 8.150 nan 0.000 0.486