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 2zzf_1_A DATA FIRST_RESID 2 DATA SEQUENCE EFIMKTRMFE EEGWIRKKCK VCGKPFWTLD PDRETCGDPP CDEYQFIGKP DATA SEQUENCE GIPRKYTLDE MREKFLRFFE KHEIYPHGRV KRYPVLPRWR DDVLLVGASI DATA SEQUENCE MDFQPWVISG EADPPANPLV ISQPSIRFTD IDNVGITGRH FTIFEMMAHH DATA SEQUENCE AFNYPGKPIY WMDETVELAF EFFTKELKMK PEDITFKENP WAGGGNAGPA DATA SEQUENCE FEVLYRGLEV ATLVFMQYKK XXXXXXXXXX XXXXXXKYIP METKVVDTGY DATA SEQUENCE GLERLVWMSQ GTPTAYDAVL GYVVEPLKKM AGIEKIDEKI LMENSRLAGM DATA SEQUENCE FDIEDLGDLR YLREQVAKRV GITVEELEKA IRPYELIYAI ADHTKALTFM DATA SEQUENCE LADGVVPSNV KAGYLARLLI RKSIRHLREL GLEVPLSEIV ALHIKELHKT DATA SEQUENCE FPEFKEMEDI ILEMIELEEK KYAETLRRGS DLVRREIAKL KKKGIKEIPV DATA SEQUENCE EKLVTFYESH GLTPEIVKEI AEKEGVKVNI PDNFYSMVAK EAERTXXXXX DATA SEQUENCE XXLVDFELLK DLPDTRRLYY EDPFMKEFDA KVLRVIKDWV ILDATAFYPE DATA SEQUENCE GGGQPYDTGV LIVNGREVKV TNVQKVGKVI IHKVEDPGAF KEGMIVHGKI DATA SEQUENCE DWKRRIQHMR HHTGTHVLMG ALVRVLGRHV WQAGSQLTTD WARLDISHYK DATA SEQUENCE RISEEELKEI EMLANRIVME DRKVTWEWLP RTTAEQKYGF RLYQGGVVPG DATA SEQUENCE REIRVVKIED WDVQACGGTH LPSTGLVGPI KILRTERIQD GVERIIFACG DATA SEQUENCE E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.508 176.600 -0.154 0.000 1.382 2 E CA 0.000 56.296 56.400 -0.173 0.000 0.976 2 E CB 0.000 29.491 29.700 -0.349 0.000 0.812 3 F N 1.341 121.314 119.950 0.038 0.000 2.404 3 F HA 0.292 4.792 4.527 -0.044 0.000 0.339 3 F C 1.200 177.048 175.800 0.080 0.000 1.105 3 F CA -0.740 57.292 58.000 0.054 0.000 1.087 3 F CB 1.136 40.160 39.000 0.040 0.000 1.143 3 F HN 0.066 nan 8.300 nan 0.000 0.491 4 I N 3.160 123.960 120.570 0.383 0.000 2.186 4 I HA -0.164 3.980 4.170 -0.044 0.000 0.228 4 I C 1.520 177.794 176.117 0.263 0.000 1.062 4 I CA 1.472 62.921 61.300 0.249 0.000 1.347 4 I CB -0.259 37.858 38.000 0.194 0.000 1.122 4 I HN 0.710 nan 8.210 nan 0.000 0.402 5 M N -1.410 118.292 119.600 0.169 0.000 2.961 5 M HA -0.236 4.218 4.480 -0.044 0.000 0.198 5 M C 0.154 176.619 176.300 0.275 0.000 0.610 5 M CA 0.621 56.045 55.300 0.208 0.000 0.755 5 M CB -2.340 30.444 32.600 0.307 0.000 2.707 5 M HN 0.271 nan 8.290 nan 0.000 0.299 6 K N 2.546 123.081 120.400 0.226 0.000 2.489 6 K HA 0.213 4.507 4.320 -0.044 0.000 0.278 6 K C 0.809 177.261 176.600 -0.246 0.000 1.000 6 K CA 1.215 57.531 56.287 0.049 0.000 1.012 6 K CB 0.484 33.049 32.500 0.107 0.000 0.903 6 K HN 0.378 nan 8.250 nan 0.000 0.485 7 T N -1.304 112.913 114.554 -0.562 0.000 2.906 7 T HA 0.256 4.580 4.350 -0.044 0.000 0.295 7 T C 0.932 175.286 174.700 -0.576 0.000 1.061 7 T CA -1.101 60.559 62.100 -0.733 0.000 1.000 7 T CB 1.960 70.046 68.868 -1.304 0.000 1.103 7 T HN 0.714 nan 8.240 nan 0.000 0.486 8 R N 1.276 121.529 120.500 -0.413 0.000 2.096 8 R HA -0.154 4.159 4.340 -0.044 0.000 0.240 8 R C 2.260 178.385 176.300 -0.292 0.000 1.139 8 R CA 2.106 58.047 56.100 -0.266 0.000 0.952 8 R CB -0.473 29.715 30.300 -0.187 0.000 0.854 8 R HN 0.843 nan 8.270 nan 0.000 0.436 9 M N 0.089 119.414 119.600 -0.458 0.000 2.073 9 M HA -0.211 4.242 4.480 -0.044 0.000 0.258 9 M C 1.630 177.767 176.300 -0.272 0.000 1.070 9 M CA 1.945 56.998 55.300 -0.410 0.000 1.103 9 M CB -0.197 32.037 32.600 -0.609 0.000 1.321 9 M HN 0.166 nan 8.290 nan 0.000 0.405 10 F N 0.701 120.309 119.950 -0.570 0.000 2.126 10 F HA -0.198 4.302 4.527 -0.044 0.000 0.299 10 F C 2.474 178.242 175.800 -0.054 0.000 1.096 10 F CA 1.673 59.400 58.000 -0.456 0.000 1.255 10 F CB -1.393 37.020 39.000 -0.979 0.000 0.997 10 F HN 0.347 nan 8.300 nan 0.000 0.479 11 E N 0.222 120.463 120.200 0.068 0.000 2.028 11 E HA -0.179 4.144 4.350 -0.044 0.000 0.191 11 E C 2.116 178.773 176.600 0.096 0.000 0.988 11 E CA 1.324 57.782 56.400 0.098 0.000 0.799 11 E CB -0.020 29.701 29.700 0.034 0.000 0.755 11 E HN 0.456 nan 8.360 nan 0.000 0.447 12 E N 0.111 120.340 120.200 0.049 0.000 2.150 12 E HA -0.152 4.172 4.350 -0.044 0.000 0.193 12 E C 1.465 178.119 176.600 0.089 0.000 0.985 12 E CA 0.671 57.102 56.400 0.051 0.000 0.814 12 E CB 0.062 29.772 29.700 0.016 0.000 0.752 12 E HN 0.214 nan 8.360 nan 0.000 0.466 13 E N -0.160 120.133 120.200 0.156 0.000 2.474 13 E HA 0.084 4.407 4.350 -0.044 0.000 0.195 13 E C 0.833 177.519 176.600 0.144 0.000 1.039 13 E CA 0.312 56.814 56.400 0.171 0.000 0.881 13 E CB 0.811 30.657 29.700 0.244 0.000 0.970 13 E HN 0.329 nan 8.360 nan 0.000 0.486 14 G N 1.882 110.794 108.800 0.187 0.000 2.246 14 G HA2 -0.254 3.679 3.960 -0.044 0.000 0.273 14 G HA3 -0.254 3.679 3.960 -0.044 0.000 0.273 14 G C -0.399 174.596 174.900 0.159 0.000 1.055 14 G CA 0.074 45.261 45.100 0.145 0.000 0.851 14 G HN 0.129 nan 8.290 nan 0.000 0.500 15 W N -0.834 120.526 121.300 0.099 0.000 2.170 15 W HA 0.601 5.235 4.660 -0.043 0.000 0.336 15 W C 0.942 177.561 176.519 0.166 0.000 1.283 15 W CA -0.481 56.932 57.345 0.113 0.000 1.224 15 W CB 0.410 29.901 29.460 0.053 0.000 1.132 15 W HN 0.194 nan 8.180 nan 0.000 0.571 16 I N 3.016 123.742 120.570 0.260 0.000 2.359 16 I HA 0.311 4.455 4.170 -0.044 0.000 0.294 16 I C 0.370 176.308 176.117 -0.298 0.000 0.987 16 I CA -1.104 60.201 61.300 0.008 0.000 1.225 16 I CB 1.153 39.108 38.000 -0.075 0.000 1.366 16 I HN 0.247 nan 8.210 nan 0.000 0.466 17 R N 6.348 126.427 120.500 -0.702 0.000 2.265 17 R HA 0.457 4.771 4.340 -0.044 0.000 0.314 17 R C -0.947 174.884 176.300 -0.783 0.000 1.053 17 R CA -0.292 55.061 56.100 -1.246 0.000 0.931 17 R CB 0.662 29.952 30.300 -1.683 0.000 1.024 17 R HN 0.607 nan 8.270 nan 0.000 0.457 18 K N 2.939 122.788 120.400 -0.918 0.000 2.477 18 K HA 0.346 4.640 4.320 -0.044 0.000 0.255 18 K C -1.060 175.222 176.600 -0.530 0.000 0.952 18 K CA -1.123 54.724 56.287 -0.732 0.000 0.826 18 K CB 1.963 33.934 32.500 -0.881 0.000 1.331 18 K HN 0.299 nan 8.250 nan 0.000 0.437 19 K N 1.459 121.741 120.400 -0.196 0.000 2.227 19 K HA 0.155 4.448 4.320 -0.044 0.000 0.280 19 K C -0.056 176.669 176.600 0.208 0.000 1.041 19 K CA -0.420 55.877 56.287 0.016 0.000 0.905 19 K CB 1.312 33.811 32.500 -0.001 0.000 1.068 19 K HN 0.633 nan 8.250 nan 0.000 0.470 20 C N 3.813 123.340 119.300 0.379 0.000 2.642 20 C HA 0.057 4.490 4.460 -0.044 0.000 0.420 20 C C 1.745 176.819 174.990 0.140 0.000 1.349 20 C CA -0.084 59.126 59.018 0.320 0.000 1.821 20 C CB -0.326 27.494 27.740 0.134 0.000 2.637 20 C HN 0.750 nan 8.230 nan 0.000 0.605 21 K N 3.262 123.723 120.400 0.101 0.000 2.283 21 K HA -0.051 4.243 4.320 -0.044 0.000 0.202 21 K C 1.612 178.228 176.600 0.027 0.000 1.048 21 K CA 1.180 57.498 56.287 0.052 0.000 0.948 21 K CB 0.071 32.595 32.500 0.040 0.000 0.742 21 K HN 0.739 nan 8.250 nan 0.000 0.458 22 V N 0.527 120.451 119.914 0.016 0.000 2.391 22 V HA -0.164 3.930 4.120 -0.044 0.000 0.237 22 V C 2.458 178.557 176.094 0.008 0.000 1.046 22 V CA 1.473 63.774 62.300 0.002 0.000 1.053 22 V CB -0.319 31.494 31.823 -0.017 0.000 0.704 22 V HN 0.480 nan 8.190 nan 0.000 0.475 23 C N 0.408 119.715 119.300 0.011 0.000 2.618 23 C HA 0.539 4.973 4.460 -0.044 0.000 0.264 23 C C 2.189 177.204 174.990 0.041 0.000 1.334 23 C CA -0.097 58.933 59.018 0.021 0.000 1.731 23 C CB -0.593 27.158 27.740 0.018 0.000 1.852 23 C HN 0.975 nan 8.230 nan 0.000 0.566 24 G N 0.991 109.823 108.800 0.055 0.000 2.284 24 G HA2 -0.294 3.640 3.960 -0.044 0.000 0.261 24 G HA3 -0.294 3.640 3.960 -0.044 0.000 0.261 24 G C 0.189 175.140 174.900 0.086 0.000 0.997 24 G CA 0.706 45.843 45.100 0.062 0.000 0.621 24 G HN 0.710 nan 8.290 nan 0.000 0.534 25 K N 1.701 122.165 120.400 0.108 0.000 2.258 25 K HA 0.434 4.728 4.320 -0.044 0.000 0.264 25 K C -2.270 174.456 176.600 0.211 0.000 1.007 25 K CA -1.179 55.191 56.287 0.138 0.000 0.941 25 K CB 0.782 33.363 32.500 0.135 0.000 0.966 25 K HN 0.138 nan 8.250 nan 0.000 0.480 26 P HA 0.198 nan 4.420 nan 0.000 0.284 26 P C -1.230 176.214 177.300 0.239 0.000 1.253 26 P CA -0.318 62.843 63.100 0.101 0.000 0.800 26 P CB 0.392 32.104 31.700 0.020 0.000 0.961 27 F N -0.537 119.384 119.950 -0.048 0.000 2.645 27 F HA 0.773 5.273 4.527 -0.044 0.000 0.310 27 F C -1.853 173.883 175.800 -0.106 0.000 1.102 27 F CA -1.265 56.774 58.000 0.065 0.000 0.952 27 F CB 1.046 40.114 39.000 0.114 0.000 1.326 27 F HN 0.149 nan 8.300 nan 0.000 0.456 28 W N 0.712 122.048 121.300 0.060 0.000 2.606 28 W HA 0.720 5.354 4.660 -0.044 0.000 0.332 28 W C -0.254 176.465 176.519 0.334 0.000 1.052 28 W CA -0.701 56.571 57.345 -0.121 0.000 1.223 28 W CB 2.112 31.115 29.460 -0.762 0.000 1.383 28 W HN 0.788 nan 8.180 nan 0.000 0.524 29 T N 1.928 116.823 114.554 0.567 0.000 2.853 29 T HA 0.310 4.634 4.350 -0.044 0.000 0.311 29 T C -0.525 174.182 174.700 0.012 0.000 1.307 29 T CA -0.515 61.839 62.100 0.423 0.000 1.019 29 T CB 1.093 70.165 68.868 0.339 0.000 1.264 29 T HN 0.210 nan 8.240 nan 0.000 0.497 30 L N 1.896 122.899 121.223 -0.367 0.000 2.554 30 L HA 0.418 4.732 4.340 -0.044 0.000 0.225 30 L C 0.737 177.495 176.870 -0.186 0.000 1.104 30 L CA 0.709 55.267 54.840 -0.470 0.000 0.866 30 L CB -0.217 41.434 42.059 -0.680 0.000 1.047 30 L HN 0.663 nan 8.230 nan 0.000 0.468 31 D N 1.007 121.363 120.400 -0.074 0.000 2.365 31 D HA 0.125 4.739 4.640 -0.044 0.000 0.237 31 D C -1.527 174.772 176.300 -0.002 0.000 1.190 31 D CA -2.000 51.988 54.000 -0.020 0.000 0.867 31 D CB 1.629 42.441 40.800 0.021 0.000 1.050 31 D HN 0.032 nan 8.370 nan 0.000 0.491 32 P HA -0.071 nan 4.420 nan 0.000 0.225 32 P C 0.237 177.540 177.300 0.004 0.000 1.148 32 P CA 0.673 63.766 63.100 -0.012 0.000 0.779 32 P CB 0.610 32.300 31.700 -0.017 0.000 0.780 33 D N -1.143 119.265 120.400 0.013 0.000 2.360 33 D HA 0.022 4.635 4.640 -0.044 0.000 0.210 33 D C 1.025 177.349 176.300 0.041 0.000 1.047 33 D CA 0.135 54.146 54.000 0.019 0.000 0.854 33 D CB -0.172 40.633 40.800 0.008 0.000 0.936 33 D HN 0.156 nan 8.370 nan 0.000 0.514 34 R N 1.522 122.064 120.500 0.070 0.000 2.370 34 R HA 0.068 4.381 4.340 -0.044 0.000 0.309 34 R C 0.595 177.006 176.300 0.185 0.000 1.059 34 R CA 0.349 56.519 56.100 0.115 0.000 0.981 34 R CB 0.468 30.867 30.300 0.165 0.000 0.972 34 R HN -0.049 nan 8.270 nan 0.000 0.437 35 E N 1.599 121.884 120.200 0.142 0.000 2.447 35 E HA 0.018 4.341 4.350 -0.044 0.000 0.204 35 E C -0.172 176.541 176.600 0.189 0.000 0.977 35 E CA 0.373 56.876 56.400 0.172 0.000 0.950 35 E CB 0.844 30.592 29.700 0.080 0.000 0.975 35 E HN 0.752 nan 8.360 nan 0.000 0.496 36 T N -2.165 112.390 114.554 0.003 0.000 2.950 36 T HA 0.160 4.483 4.350 -0.044 0.000 0.288 36 T C 1.354 175.591 174.700 -0.771 0.000 1.035 36 T CA -0.754 61.211 62.100 -0.225 0.000 1.028 36 T CB 1.479 70.257 68.868 -0.150 0.000 1.109 36 T HN 0.185 nan 8.240 nan 0.000 0.514 37 C N -0.461 118.342 119.300 -0.830 0.000 2.500 37 C HA 0.544 4.978 4.460 -0.044 0.000 0.273 37 C C 2.214 176.867 174.990 -0.562 0.000 1.428 37 C CA 0.156 58.495 59.018 -1.133 0.000 1.766 37 C CB -1.866 25.575 27.740 -0.498 0.000 1.817 37 C HN 1.695 nan 8.230 nan 0.000 0.543 38 G N 0.501 109.097 108.800 -0.340 0.000 2.175 38 G HA2 -0.162 3.772 3.960 -0.044 0.000 0.244 38 G HA3 -0.162 3.772 3.960 -0.044 0.000 0.244 38 G C -0.482 174.361 174.900 -0.095 0.000 0.982 38 G CA 0.484 45.483 45.100 -0.169 0.000 0.641 38 G HN 0.689 nan 8.290 nan 0.000 0.527 39 D N 0.769 121.109 120.400 -0.099 0.000 2.502 39 D HA 0.584 5.197 4.640 -0.044 0.000 0.249 39 D C -2.357 173.915 176.300 -0.047 0.000 1.092 39 D CA -1.899 52.077 54.000 -0.040 0.000 0.839 39 D CB 2.051 42.838 40.800 -0.021 0.000 1.264 39 D HN 0.022 nan 8.370 nan 0.000 0.511 40 P HA 0.090 nan 4.420 nan 0.000 0.265 40 P C -2.020 175.256 177.300 -0.041 0.000 1.187 40 P CA -0.825 62.231 63.100 -0.073 0.000 0.766 40 P CB 0.268 31.893 31.700 -0.126 0.000 0.820 41 P HA 0.103 nan 4.420 nan 0.000 0.257 41 P C 0.226 177.495 177.300 -0.051 0.000 1.325 41 P CA 0.233 63.306 63.100 -0.045 0.000 0.850 41 P CB -0.281 31.410 31.700 -0.015 0.000 1.324 42 C N -0.458 118.807 119.300 -0.059 0.000 2.440 42 C HA -0.000 4.434 4.460 -0.044 0.000 0.278 42 C C 0.988 175.928 174.990 -0.083 0.000 1.295 42 C CA 0.926 59.902 59.018 -0.071 0.000 1.738 42 C CB -1.183 26.498 27.740 -0.097 0.000 1.987 42 C HN 0.280 nan 8.230 nan 0.000 0.492 43 D N -2.111 118.236 120.400 -0.088 0.000 2.714 43 D HA 0.486 5.099 4.640 -0.044 0.000 0.278 43 D C -0.634 175.611 176.300 -0.092 0.000 1.102 43 D CA -0.515 53.435 54.000 -0.085 0.000 1.108 43 D CB 1.062 41.809 40.800 -0.088 0.000 1.444 43 D HN 0.205 nan 8.370 nan 0.000 0.568 44 E N -0.426 119.725 120.200 -0.082 0.000 2.343 44 E HA 0.272 4.595 4.350 -0.044 0.000 0.270 44 E C -0.934 175.657 176.600 -0.015 0.000 0.895 44 E CA -0.790 55.540 56.400 -0.118 0.000 0.767 44 E CB 0.908 30.544 29.700 -0.106 0.000 1.248 44 E HN 0.290 nan 8.360 nan 0.000 0.440 45 Y N 1.835 122.112 120.300 -0.037 0.000 2.805 45 Y HA -0.048 4.475 4.550 -0.044 0.000 0.331 45 Y C 0.927 176.753 175.900 -0.124 0.000 1.241 45 Y CA 0.532 58.601 58.100 -0.051 0.000 1.546 45 Y CB 0.269 38.601 38.460 -0.213 0.000 1.248 45 Y HN 0.582 nan 8.280 nan 0.000 0.559 46 Q N 1.890 121.760 119.800 0.116 0.000 2.164 46 Q HA 0.138 4.451 4.340 -0.044 0.000 0.226 46 Q C 0.468 176.453 176.000 -0.026 0.000 0.813 46 Q CA -0.102 55.698 55.803 -0.006 0.000 0.978 46 Q CB 0.314 29.035 28.738 -0.030 0.000 1.149 46 Q HN 0.760 nan 8.270 nan 0.000 0.489 47 F N -2.175 117.666 119.950 -0.181 0.000 2.678 47 F HA 0.450 4.951 4.527 -0.044 0.000 0.305 47 F C 0.224 175.909 175.800 -0.192 0.000 1.090 47 F CA -0.671 57.197 58.000 -0.220 0.000 1.272 47 F CB 0.203 39.009 39.000 -0.324 0.000 1.060 47 F HN -0.226 nan 8.300 nan 0.000 0.576 48 I N 2.575 122.727 120.570 -0.696 0.000 2.406 48 I HA 0.362 4.505 4.170 -0.044 0.000 0.293 48 I C 1.275 177.293 176.117 -0.166 0.000 1.101 48 I CA 0.736 61.765 61.300 -0.452 0.000 1.334 48 I CB 0.070 37.837 38.000 -0.388 0.000 1.421 48 I HN 0.591 nan 8.210 nan 0.000 0.513 49 G N 5.194 113.954 108.800 -0.068 0.000 2.159 49 G HA2 -0.253 3.681 3.960 -0.044 0.000 0.227 49 G HA3 -0.253 3.681 3.960 -0.044 0.000 0.227 49 G C 0.217 175.115 174.900 -0.005 0.000 0.986 49 G CA -0.418 44.671 45.100 -0.018 0.000 0.651 49 G HN 0.606 nan 8.290 nan 0.000 0.523 50 K N 0.882 121.283 120.400 0.001 0.000 3.088 50 K HA 0.293 4.587 4.320 -0.044 0.000 0.193 50 K C -2.857 173.779 176.600 0.060 0.000 1.176 50 K CA -1.398 54.901 56.287 0.019 0.000 0.907 50 K CB 2.306 34.803 32.500 -0.005 0.000 1.139 50 K HN 0.121 nan 8.250 nan 0.000 0.597 51 P HA -0.084 nan 4.420 nan 0.000 0.260 51 P C 0.717 178.065 177.300 0.080 0.000 1.172 51 P CA 0.482 63.645 63.100 0.104 0.000 0.760 51 P CB 0.954 32.714 31.700 0.101 0.000 0.773 52 G N 3.135 111.980 108.800 0.075 0.000 2.813 52 G HA2 0.041 3.974 3.960 -0.044 0.000 0.209 52 G HA3 0.041 3.974 3.960 -0.044 0.000 0.209 52 G C 0.526 175.540 174.900 0.190 0.000 1.150 52 G CA -0.066 45.108 45.100 0.123 0.000 0.785 52 G HN 0.464 nan 8.290 nan 0.000 0.535 53 I N 1.625 122.252 120.570 0.095 0.000 2.330 53 I HA 0.229 4.373 4.170 -0.044 0.000 0.289 53 I C -1.188 174.983 176.117 0.091 0.000 1.001 53 I CA -2.326 59.010 61.300 0.060 0.000 1.193 53 I CB 2.533 40.553 38.000 0.033 0.000 1.345 53 I HN -0.126 nan 8.210 nan 0.000 0.461 54 P HA -0.168 nan 4.420 nan 0.000 0.218 54 P C -0.149 177.179 177.300 0.048 0.000 1.146 54 P CA 1.357 64.487 63.100 0.050 0.000 0.813 54 P CB -0.016 31.701 31.700 0.028 0.000 0.778 55 R N -1.215 119.328 120.500 0.072 0.000 2.750 55 R HA 0.552 4.866 4.340 -0.044 0.000 0.281 55 R C -0.549 175.760 176.300 0.015 0.000 0.972 55 R CA -1.099 54.998 56.100 -0.005 0.000 0.912 55 R CB 1.440 31.668 30.300 -0.119 0.000 1.187 55 R HN -0.294 nan 8.270 nan 0.000 0.464 56 K N 1.886 122.267 120.400 -0.031 0.000 2.401 56 K HA 0.107 4.401 4.320 -0.044 0.000 0.278 56 K C -1.036 175.500 176.600 -0.107 0.000 1.018 56 K CA 0.303 56.607 56.287 0.028 0.000 0.981 56 K CB 0.399 32.918 32.500 0.033 0.000 0.933 56 K HN 0.433 nan 8.250 nan 0.000 0.477 57 Y N -0.041 120.299 120.300 0.067 0.000 2.536 57 Y HA 0.209 4.732 4.550 -0.044 0.000 0.347 57 Y C 0.614 176.568 175.900 0.090 0.000 1.000 57 Y CA -0.790 57.353 58.100 0.071 0.000 1.051 57 Y CB 2.133 40.636 38.460 0.073 0.000 1.259 57 Y HN 0.618 nan 8.280 nan 0.000 0.468 58 T N -0.532 114.170 114.554 0.246 0.000 2.944 58 T HA 0.338 4.662 4.350 -0.044 0.000 0.284 58 T C 1.103 175.928 174.700 0.207 0.000 1.010 58 T CA -0.853 61.364 62.100 0.196 0.000 1.025 58 T CB 0.863 69.813 68.868 0.136 0.000 1.079 58 T HN 0.603 nan 8.240 nan 0.000 0.516 59 L N 0.638 121.968 121.223 0.178 0.000 1.991 59 L HA -0.198 4.115 4.340 -0.044 0.000 0.221 59 L C 2.333 179.287 176.870 0.140 0.000 1.079 59 L CA 2.321 57.255 54.840 0.158 0.000 0.778 59 L CB -1.164 40.997 42.059 0.171 0.000 0.893 59 L HN 0.749 nan 8.230 nan 0.000 0.437 60 D N -0.226 120.245 120.400 0.119 0.000 2.116 60 D HA -0.202 4.412 4.640 -0.044 0.000 0.193 60 D C 2.121 178.489 176.300 0.114 0.000 0.998 60 D CA 1.225 55.275 54.000 0.083 0.000 0.836 60 D CB -0.151 40.676 40.800 0.045 0.000 0.951 60 D HN 0.400 nan 8.370 nan 0.000 0.449 61 E N -0.624 119.671 120.200 0.158 0.000 2.077 61 E HA -0.181 4.143 4.350 -0.044 0.000 0.193 61 E C 1.903 178.673 176.600 0.284 0.000 0.989 61 E CA 0.906 57.442 56.400 0.226 0.000 0.800 61 E CB -0.067 29.795 29.700 0.270 0.000 0.746 61 E HN 0.130 nan 8.360 nan 0.000 0.452 62 M N 0.575 120.326 119.600 0.251 0.000 2.123 62 M HA -0.090 4.363 4.480 -0.044 0.000 0.263 62 M C 2.076 178.476 176.300 0.166 0.000 1.069 62 M CA 1.523 56.913 55.300 0.150 0.000 1.133 62 M CB -0.074 32.567 32.600 0.069 0.000 1.356 62 M HN -0.151 nan 8.290 nan 0.000 0.415 63 R N -0.306 120.271 120.500 0.130 0.000 2.097 63 R HA -0.255 4.059 4.340 -0.044 0.000 0.236 63 R C 2.155 178.551 176.300 0.160 0.000 1.135 63 R CA 2.316 58.480 56.100 0.106 0.000 0.934 63 R CB -0.566 29.780 30.300 0.077 0.000 0.846 63 R HN 0.395 nan 8.270 nan 0.000 0.431 64 E N 0.648 120.932 120.200 0.140 0.000 2.085 64 E HA -0.221 4.103 4.350 -0.044 0.000 0.194 64 E C 1.849 178.558 176.600 0.183 0.000 0.994 64 E CA 1.862 58.345 56.400 0.138 0.000 0.801 64 E CB -0.093 29.669 29.700 0.103 0.000 0.743 64 E HN 0.285 nan 8.360 nan 0.000 0.453 65 K N -1.002 119.529 120.400 0.218 0.000 2.044 65 K HA -0.193 4.101 4.320 -0.044 0.000 0.210 65 K C 2.094 178.886 176.600 0.321 0.000 1.049 65 K CA 1.726 58.166 56.287 0.256 0.000 0.927 65 K CB -0.513 32.141 32.500 0.257 0.000 0.713 65 K HN 0.207 nan 8.250 nan 0.000 0.443 66 F N 1.106 121.136 119.950 0.133 0.000 2.102 66 F HA -0.127 4.373 4.527 -0.045 0.000 0.298 66 F C 1.605 177.437 175.800 0.053 0.000 1.105 66 F CA 1.424 59.371 58.000 -0.088 0.000 1.239 66 F CB -0.164 38.659 39.000 -0.296 0.000 0.991 66 F HN -0.030 nan 8.300 nan 0.000 0.474 67 L N -0.242 121.185 121.223 0.340 0.000 2.083 67 L HA -0.185 4.129 4.340 -0.044 0.000 0.209 67 L C 2.646 179.593 176.870 0.128 0.000 1.083 67 L CA 1.405 56.383 54.840 0.230 0.000 0.752 67 L CB -0.668 41.510 42.059 0.199 0.000 0.899 67 L HN 0.089 nan 8.230 nan 0.000 0.433 68 R N -0.254 120.325 120.500 0.131 0.000 2.062 68 R HA -0.197 4.117 4.340 -0.044 0.000 0.231 68 R C 2.349 178.684 176.300 0.058 0.000 1.136 68 R CA 1.656 57.813 56.100 0.095 0.000 0.948 68 R CB -0.437 29.927 30.300 0.108 0.000 0.845 68 R HN 0.165 nan 8.270 nan 0.000 0.430 69 F N 0.310 120.197 119.950 -0.106 0.000 2.087 69 F HA -0.267 4.234 4.527 -0.044 0.000 0.299 69 F C 1.506 177.091 175.800 -0.358 0.000 1.100 69 F CA 1.723 59.574 58.000 -0.248 0.000 1.226 69 F CB -0.388 38.404 39.000 -0.345 0.000 0.983 69 F HN 0.000 nan 8.300 nan 0.000 0.479 70 F N 0.356 120.026 119.950 -0.466 0.000 2.293 70 F HA -0.008 4.492 4.527 -0.044 0.000 0.297 70 F C 2.522 178.163 175.800 -0.264 0.000 1.089 70 F CA 1.341 58.951 58.000 -0.650 0.000 1.377 70 F CB -0.761 37.671 39.000 -0.947 0.000 1.051 70 F HN 0.062 nan 8.300 nan 0.000 0.511 71 E N 0.736 120.950 120.200 0.023 0.000 2.072 71 E HA -0.165 4.158 4.350 -0.044 0.000 0.191 71 E C 1.393 178.017 176.600 0.039 0.000 0.985 71 E CA 1.062 57.508 56.400 0.077 0.000 0.801 71 E CB 0.028 29.772 29.700 0.074 0.000 0.750 71 E HN 0.278 nan 8.360 nan 0.000 0.452 72 K N 0.100 120.482 120.400 -0.029 0.000 2.437 72 K HA 0.043 4.337 4.320 -0.044 0.000 0.198 72 K C 0.153 176.682 176.600 -0.117 0.000 1.024 72 K CA -0.235 56.020 56.287 -0.055 0.000 1.148 72 K CB 0.156 32.624 32.500 -0.052 0.000 0.860 72 K HN 0.212 nan 8.250 nan 0.000 0.515 73 H N 2.024 120.949 119.070 -0.242 0.000 2.928 73 H HA -0.016 4.514 4.556 -0.044 0.000 0.338 73 H C 0.660 175.877 175.328 -0.186 0.000 1.047 73 H CA 1.007 56.865 56.048 -0.316 0.000 1.435 73 H CB 0.879 30.411 29.762 -0.384 0.000 1.428 73 H HN 0.211 nan 8.280 nan 0.000 0.590 74 E N 3.743 123.624 120.200 -0.531 0.000 2.216 74 E HA -0.091 4.232 4.350 -0.044 0.000 0.192 74 E C 1.528 178.005 176.600 -0.205 0.000 0.988 74 E CA 0.823 57.044 56.400 -0.298 0.000 0.834 74 E CB 0.502 30.025 29.700 -0.295 0.000 0.772 74 E HN 0.588 nan 8.360 nan 0.000 0.479 75 I N -0.988 119.487 120.570 -0.158 0.000 2.927 75 I HA -0.094 4.050 4.170 -0.044 0.000 0.268 75 I C 0.231 176.069 176.117 -0.465 0.000 1.153 75 I CA 0.608 61.723 61.300 -0.308 0.000 1.459 75 I CB 0.342 38.083 38.000 -0.432 0.000 1.149 75 I HN -0.062 nan 8.210 nan 0.000 0.443 76 Y N 2.318 122.760 120.300 0.237 0.000 2.748 76 Y HA 0.408 4.932 4.550 -0.044 0.000 0.359 76 Y C -2.456 173.489 175.900 0.075 0.000 1.030 76 Y CA -3.418 54.701 58.100 0.032 0.000 1.169 76 Y CB -0.184 38.186 38.460 -0.150 0.000 1.127 76 Y HN -0.062 nan 8.280 nan 0.000 0.644 77 P HA 0.100 nan 4.420 nan 0.000 0.271 77 P C -0.661 176.750 177.300 0.184 0.000 1.216 77 P CA 0.141 63.352 63.100 0.185 0.000 0.776 77 P CB 1.124 32.876 31.700 0.087 0.000 0.881 78 H N -0.210 118.921 119.070 0.102 0.000 2.492 78 H HA 0.491 5.021 4.556 -0.044 0.000 0.345 78 H C 0.957 176.340 175.328 0.091 0.000 1.136 78 H CA -0.279 55.837 56.048 0.113 0.000 1.202 78 H CB 0.793 30.625 29.762 0.116 0.000 1.524 78 H HN 0.478 nan 8.280 nan 0.000 0.506 79 G N 2.014 110.927 108.800 0.189 0.000 2.365 79 G HA2 0.130 4.064 3.960 -0.044 0.000 0.249 79 G HA3 0.130 4.064 3.960 -0.044 0.000 0.249 79 G C -0.065 174.936 174.900 0.169 0.000 1.288 79 G CA -0.522 44.668 45.100 0.150 0.000 0.887 79 G HN 0.589 nan 8.290 nan 0.000 0.524 80 R N 1.661 122.247 120.500 0.143 0.000 2.390 80 R HA 0.447 4.760 4.340 -0.044 0.000 0.291 80 R C -1.021 175.372 176.300 0.155 0.000 1.070 80 R CA -0.378 55.809 56.100 0.145 0.000 1.014 80 R CB 0.929 31.299 30.300 0.117 0.000 1.007 80 R HN 0.260 nan 8.270 nan 0.000 0.466 81 V N 5.103 125.129 119.914 0.187 0.000 2.577 81 V HA 0.238 4.332 4.120 -0.044 0.000 0.303 81 V C -0.363 175.876 176.094 0.241 0.000 1.042 81 V CA -1.017 61.420 62.300 0.229 0.000 0.872 81 V CB 1.895 33.899 31.823 0.302 0.000 0.998 81 V HN 0.794 nan 8.190 nan 0.000 0.423 82 K N 3.575 124.111 120.400 0.228 0.000 2.484 82 K HA 0.132 4.425 4.320 -0.044 0.000 0.280 82 K C 0.473 177.275 176.600 0.338 0.000 1.013 82 K CA -0.252 56.171 56.287 0.226 0.000 1.029 82 K CB 0.487 33.090 32.500 0.170 0.000 0.902 82 K HN 0.755 nan 8.250 nan 0.000 0.481 83 R N 1.837 122.524 120.500 0.311 0.000 2.811 83 R HA -0.033 4.280 4.340 -0.044 0.000 0.265 83 R C -0.671 175.922 176.300 0.488 0.000 1.026 83 R CA 0.547 56.861 56.100 0.356 0.000 1.142 83 R CB 0.026 30.507 30.300 0.302 0.000 1.027 83 R HN 0.300 nan 8.270 nan 0.000 0.465 84 Y N 0.798 121.174 120.300 0.127 0.000 2.432 84 Y HA 0.438 4.961 4.550 -0.045 0.000 0.322 84 Y C -1.842 174.173 175.900 0.193 0.000 1.246 84 Y CA -2.861 55.325 58.100 0.143 0.000 1.268 84 Y CB 0.594 38.981 38.460 -0.122 0.000 1.276 84 Y HN 0.613 nan 8.280 nan 0.000 0.499 85 P HA -0.013 nan 4.420 nan 0.000 0.270 85 P C 0.721 178.150 177.300 0.216 0.000 1.223 85 P CA 0.084 63.333 63.100 0.250 0.000 0.785 85 P CB 0.609 32.405 31.700 0.160 0.000 0.923 86 V N -0.233 119.758 119.914 0.129 0.000 3.217 86 V HA 0.059 4.153 4.120 -0.044 0.000 0.264 86 V C 0.702 176.776 176.094 -0.033 0.000 1.135 86 V CA 0.997 63.328 62.300 0.052 0.000 1.142 86 V CB -0.839 31.002 31.823 0.030 0.000 0.754 86 V HN 0.328 nan 8.190 nan 0.000 0.484 87 L N 3.617 124.791 121.223 -0.083 0.000 2.264 87 L HA 0.472 4.785 4.340 -0.044 0.000 0.287 87 L C -2.344 174.270 176.870 -0.427 0.000 1.039 87 L CA -1.869 52.837 54.840 -0.223 0.000 0.829 87 L CB 1.971 43.893 42.059 -0.228 0.000 1.211 87 L HN 0.163 nan 8.230 nan 0.000 0.427 88 P HA 0.118 nan 4.420 nan 0.000 0.271 88 P C -0.021 176.583 177.300 -1.160 0.000 1.380 88 P CA -0.383 61.844 63.100 -1.456 0.000 0.992 88 P CB 0.491 31.497 31.700 -1.157 0.000 1.230 89 R N 2.331 122.289 120.500 -0.903 0.000 2.193 89 R HA -0.048 4.266 4.340 -0.044 0.000 0.213 89 R C 1.466 177.707 176.300 -0.098 0.000 1.055 89 R CA 1.012 56.968 56.100 -0.240 0.000 0.995 89 R CB -0.635 29.796 30.300 0.219 0.000 0.893 89 R HN 0.619 nan 8.270 nan 0.000 0.459 90 W N 2.117 123.361 121.300 -0.094 0.000 3.256 90 W HA 0.167 4.800 4.660 -0.045 0.000 0.269 90 W C 0.361 176.927 176.519 0.079 0.000 1.310 90 W CA -0.632 56.629 57.345 -0.140 0.000 1.673 90 W CB 0.125 29.682 29.460 0.162 0.000 1.115 90 W HN -0.146 nan 8.180 nan 0.000 0.686 91 R N 0.670 120.992 120.500 -0.296 0.000 2.716 91 R HA 0.292 4.606 4.340 -0.044 0.000 0.271 91 R C -1.135 175.049 176.300 -0.193 0.000 1.028 91 R CA -0.227 55.806 56.100 -0.112 0.000 0.883 91 R CB 0.764 30.983 30.300 -0.135 0.000 1.250 91 R HN 0.041 nan 8.270 nan 0.000 0.465 92 D N -1.212 119.131 120.400 -0.094 0.000 2.535 92 D HA 0.054 4.667 4.640 -0.044 0.000 0.229 92 D C -0.012 176.235 176.300 -0.089 0.000 1.238 92 D CA -0.311 53.636 54.000 -0.089 0.000 0.824 92 D CB 0.506 41.292 40.800 -0.023 0.000 1.045 92 D HN 0.636 nan 8.370 nan 0.000 0.500 93 D N 0.315 120.651 120.400 -0.106 0.000 2.441 93 D HA 0.012 4.625 4.640 -0.044 0.000 0.210 93 D C 0.557 176.803 176.300 -0.089 0.000 1.102 93 D CA -0.034 53.916 54.000 -0.084 0.000 0.840 93 D CB 0.468 41.224 40.800 -0.073 0.000 0.990 93 D HN 0.227 nan 8.370 nan 0.000 0.505 94 V N -2.188 117.654 119.914 -0.121 0.000 2.962 94 V HA 0.411 4.505 4.120 -0.044 0.000 0.313 94 V C 0.639 176.646 176.094 -0.145 0.000 1.099 94 V CA -0.968 61.266 62.300 -0.111 0.000 0.971 94 V CB 2.287 34.060 31.823 -0.083 0.000 1.028 94 V HN -0.173 nan 8.190 nan 0.000 0.430 95 L N 2.015 123.169 121.223 -0.115 0.000 2.162 95 L HA 0.456 4.770 4.340 -0.044 0.000 0.205 95 L C 0.470 177.265 176.870 -0.125 0.000 1.086 95 L CA 1.501 56.268 54.840 -0.122 0.000 0.778 95 L CB -0.626 41.370 42.059 -0.105 0.000 0.928 95 L HN 0.635 nan 8.230 nan 0.000 0.446 96 L N -1.926 119.245 121.223 -0.087 0.000 2.424 96 L HA 0.378 4.691 4.340 -0.044 0.000 0.258 96 L C -0.793 176.048 176.870 -0.048 0.000 0.995 96 L CA -0.854 53.948 54.840 -0.062 0.000 0.821 96 L CB 2.577 44.645 42.059 0.016 0.000 1.383 96 L HN -0.512 nan 8.230 nan 0.000 0.410 97 V N 1.401 121.290 119.914 -0.043 0.000 2.529 97 V HA 0.131 4.224 4.120 -0.044 0.000 0.292 97 V C 1.053 177.135 176.094 -0.020 0.000 1.028 97 V CA 0.848 63.145 62.300 -0.004 0.000 1.074 97 V CB 1.035 32.889 31.823 0.052 0.000 0.958 97 V HN 1.020 nan 8.190 nan 0.000 0.481 98 G N 3.295 112.103 108.800 0.013 0.000 3.192 98 G HA2 0.605 4.539 3.960 -0.044 0.000 0.239 98 G HA3 0.605 4.539 3.960 -0.044 0.000 0.239 98 G C 0.205 175.133 174.900 0.047 0.000 1.084 98 G CA 0.656 45.778 45.100 0.037 0.000 0.784 98 G HN 1.136 nan 8.290 nan 0.000 0.540 99 A N -0.329 122.501 122.820 0.016 0.000 2.585 99 A HA 0.541 4.835 4.320 -0.044 0.000 0.299 99 A C 1.041 178.634 177.584 0.016 0.000 1.047 99 A CA 0.441 52.510 52.037 0.053 0.000 0.723 99 A CB 0.042 19.114 19.000 0.119 0.000 1.275 99 A HN 0.745 nan 8.150 nan 0.000 0.408 100 S N 1.527 117.251 115.700 0.040 0.000 2.387 100 S HA -0.195 4.249 4.470 -0.044 0.000 0.230 100 S C 1.693 176.290 174.600 -0.005 0.000 1.035 100 S CA 1.931 60.160 58.200 0.048 0.000 1.014 100 S CB -0.544 62.798 63.200 0.236 0.000 0.836 100 S HN 1.351 nan 8.310 nan 0.000 0.466 101 I N 1.874 122.480 120.570 0.060 0.000 2.423 101 I HA -0.088 4.056 4.170 -0.044 0.000 0.254 101 I C 2.322 178.429 176.117 -0.017 0.000 1.151 101 I CA 1.236 62.532 61.300 -0.007 0.000 1.421 101 I CB -0.448 37.547 38.000 -0.009 0.000 1.079 101 I HN 0.363 nan 8.210 nan 0.000 0.431 102 M N -0.657 118.930 119.600 -0.021 0.000 2.374 102 M HA -0.153 4.300 4.480 -0.044 0.000 0.264 102 M C 1.257 177.580 176.300 0.038 0.000 1.067 102 M CA 1.013 56.348 55.300 0.058 0.000 1.103 102 M CB -0.559 32.102 32.600 0.102 0.000 1.402 102 M HN 0.124 nan 8.290 nan 0.000 0.444 103 D N 0.283 120.415 120.400 -0.447 0.000 2.311 103 D HA -0.117 4.496 4.640 -0.044 0.000 0.212 103 D C 0.924 176.559 176.300 -1.110 0.000 0.972 103 D CA 1.331 54.629 54.000 -1.171 0.000 0.887 103 D CB -0.070 39.337 40.800 -2.322 0.000 0.915 103 D HN 0.366 nan 8.370 nan 0.000 0.497 104 F N -0.253 119.627 119.950 -0.117 0.000 2.746 104 F HA 0.294 4.794 4.527 -0.045 0.000 0.320 104 F C 0.586 176.404 175.800 0.030 0.000 1.097 104 F CA -0.511 57.447 58.000 -0.070 0.000 1.195 104 F CB 0.027 38.988 39.000 -0.065 0.000 1.056 104 F HN -0.301 nan 8.300 nan 0.000 0.562 105 Q N 2.423 122.328 119.800 0.176 0.000 2.222 105 Q HA 0.267 4.581 4.340 -0.044 0.000 0.252 105 Q C -1.684 174.361 176.000 0.074 0.000 0.926 105 Q CA -1.883 53.986 55.803 0.110 0.000 0.899 105 Q CB 1.754 30.550 28.738 0.097 0.000 1.250 105 Q HN -0.131 nan 8.270 nan 0.000 0.441 106 P HA -0.076 nan 4.420 nan 0.000 0.234 106 P C 0.125 177.296 177.300 -0.215 0.000 1.175 106 P CA 0.766 63.660 63.100 -0.344 0.000 0.801 106 P CB 0.194 31.497 31.700 -0.662 0.000 0.891 107 W N 0.083 121.478 121.300 0.158 0.000 2.388 107 W HA -0.055 4.580 4.660 -0.043 0.000 0.294 107 W C 2.209 178.788 176.519 0.099 0.000 1.212 107 W CA 0.204 57.626 57.345 0.129 0.000 1.271 107 W CB -1.532 28.015 29.460 0.145 0.000 1.126 107 W HN -0.270 nan 8.180 nan 0.000 0.535 108 V N 0.701 120.778 119.914 0.271 0.000 2.488 108 V HA -0.229 3.864 4.120 -0.044 0.000 0.246 108 V C 1.966 178.118 176.094 0.098 0.000 1.046 108 V CA 1.378 63.740 62.300 0.102 0.000 1.053 108 V CB -0.627 31.148 31.823 -0.080 0.000 0.679 108 V HN 0.162 nan 8.190 nan 0.000 0.458 109 I N 1.141 121.789 120.570 0.130 0.000 2.315 109 I HA -0.178 3.966 4.170 -0.044 0.000 0.248 109 I C 2.478 178.709 176.117 0.190 0.000 1.117 109 I CA 1.740 63.142 61.300 0.171 0.000 1.404 109 I CB -0.318 37.781 38.000 0.165 0.000 1.071 109 I HN 0.474 nan 8.210 nan 0.000 0.419 110 S N 0.137 115.930 115.700 0.156 0.000 2.561 110 S HA 0.086 4.530 4.470 -0.044 0.000 0.225 110 S C 1.719 176.420 174.600 0.169 0.000 0.977 110 S CA 0.565 58.849 58.200 0.141 0.000 0.926 110 S CB 0.188 63.448 63.200 0.100 0.000 0.769 110 S HN 0.622 nan 8.310 nan 0.000 0.533 111 G N 1.111 110.039 108.800 0.213 0.000 2.199 111 G HA2 -0.315 3.618 3.960 -0.044 0.000 0.254 111 G HA3 -0.315 3.618 3.960 -0.044 0.000 0.254 111 G C 0.552 175.452 174.900 0.000 0.000 0.982 111 G CA 0.398 45.536 45.100 0.064 0.000 0.632 111 G HN 0.542 nan 8.290 nan 0.000 0.529 112 E N 0.321 120.596 120.200 0.125 0.000 2.347 112 E HA 0.388 4.711 4.350 -0.044 0.000 0.196 112 E C 1.168 177.848 176.600 0.135 0.000 1.008 112 E CA 0.852 57.345 56.400 0.155 0.000 0.852 112 E CB -0.038 29.848 29.700 0.311 0.000 0.783 112 E HN 0.930 nan 8.360 nan 0.000 0.505 113 A N 1.006 123.910 122.820 0.140 0.000 2.449 113 A HA 0.355 4.648 4.320 -0.044 0.000 0.302 113 A C -1.294 176.309 177.584 0.031 0.000 1.048 113 A CA -0.964 51.135 52.037 0.104 0.000 0.708 113 A CB 1.200 20.319 19.000 0.198 0.000 1.274 113 A HN -0.019 nan 8.150 nan 0.000 0.410 114 D N 2.517 122.913 120.400 -0.008 0.000 2.362 114 D HA 0.399 5.013 4.640 -0.044 0.000 0.242 114 D C -2.370 173.901 176.300 -0.049 0.000 1.132 114 D CA -0.893 53.082 54.000 -0.043 0.000 0.907 114 D CB 0.164 40.943 40.800 -0.036 0.000 1.195 114 D HN 0.217 nan 8.370 nan 0.000 0.429 115 P HA 0.075 nan 4.420 nan 0.000 0.269 115 P C -1.856 175.424 177.300 -0.033 0.000 1.215 115 P CA -0.981 61.981 63.100 -0.231 0.000 0.780 115 P CB 0.004 31.501 31.700 -0.339 0.000 0.898 116 P HA -0.100 nan 4.420 nan 0.000 0.216 116 P C -0.056 177.288 177.300 0.073 0.000 1.153 116 P CA 1.919 65.080 63.100 0.102 0.000 0.858 116 P CB 0.061 31.887 31.700 0.210 0.000 0.789 117 A N -1.685 121.177 122.820 0.070 0.000 2.574 117 A HA 0.632 4.926 4.320 -0.044 0.000 0.297 117 A C -1.366 176.269 177.584 0.086 0.000 1.062 117 A CA -0.398 51.684 52.037 0.076 0.000 0.686 117 A CB 1.041 20.100 19.000 0.098 0.000 1.285 117 A HN -0.127 nan 8.150 nan 0.000 0.403 118 N N 1.972 120.721 118.700 0.081 0.000 2.540 118 N HA 0.633 5.347 4.740 -0.044 0.000 0.275 118 N C -2.869 172.651 175.510 0.017 0.000 1.053 118 N CA -1.115 51.991 53.050 0.093 0.000 0.876 118 N CB 2.223 40.792 38.487 0.137 0.000 1.284 118 N HN 0.542 nan 8.380 nan 0.000 0.518 119 P HA 0.447 nan 4.420 nan 0.000 0.281 119 P C -1.053 176.273 177.300 0.042 0.000 1.264 119 P CA -0.681 62.361 63.100 -0.098 0.000 0.824 119 P CB 1.173 32.680 31.700 -0.322 0.000 1.092 120 L N -0.675 120.658 121.223 0.183 0.000 2.333 120 L HA 0.851 5.165 4.340 -0.044 0.000 0.263 120 L C -0.885 176.155 176.870 0.282 0.000 1.014 120 L CA -1.115 53.869 54.840 0.239 0.000 0.820 120 L CB 1.488 43.653 42.059 0.176 0.000 1.352 120 L HN 0.181 nan 8.230 nan 0.000 0.421 121 V N 3.287 123.329 119.914 0.214 0.000 2.735 121 V HA 0.758 4.851 4.120 -0.044 0.000 0.310 121 V C -0.931 175.265 176.094 0.170 0.000 1.061 121 V CA -0.422 61.941 62.300 0.105 0.000 0.913 121 V CB 1.795 33.597 31.823 -0.036 0.000 1.005 121 V HN 0.914 nan 8.190 nan 0.000 0.428 122 I N 3.952 124.622 120.570 0.166 0.000 3.004 122 I HA 0.580 4.723 4.170 -0.044 0.000 0.305 122 I C -1.128 175.035 176.117 0.076 0.000 1.312 122 I CA -0.218 61.181 61.300 0.165 0.000 0.992 122 I CB 2.550 40.688 38.000 0.230 0.000 1.282 122 I HN 0.614 nan 8.210 nan 0.000 0.449 123 S N 4.082 119.826 115.700 0.072 0.000 2.774 123 S HA 0.467 4.910 4.470 -0.044 0.000 0.297 123 S C -1.185 173.447 174.600 0.053 0.000 1.143 123 S CA -0.381 57.825 58.200 0.009 0.000 1.090 123 S CB 0.889 64.101 63.200 0.020 0.000 1.019 123 S HN 0.536 nan 8.310 nan 0.000 0.482 124 Q N 5.344 125.138 119.800 -0.009 0.000 2.357 124 Q HA 0.527 4.841 4.340 -0.044 0.000 0.266 124 Q C -2.802 173.111 176.000 -0.145 0.000 1.021 124 Q CA -2.113 53.673 55.803 -0.028 0.000 0.784 124 Q CB 1.453 30.161 28.738 -0.050 0.000 1.243 124 Q HN 0.291 nan 8.270 nan 0.000 0.465 125 P HA 0.083 nan 4.420 nan 0.000 0.264 125 P C -1.190 175.859 177.300 -0.418 0.000 1.193 125 P CA 0.336 63.175 63.100 -0.434 0.000 0.763 125 P CB 0.875 32.214 31.700 -0.603 0.000 0.810 126 S N 2.916 118.231 115.700 -0.642 0.000 2.536 126 S HA 0.611 5.055 4.470 -0.044 0.000 0.287 126 S C -0.360 173.903 174.600 -0.561 0.000 1.101 126 S CA -0.657 57.190 58.200 -0.589 0.000 0.950 126 S CB 1.163 63.894 63.200 -0.782 0.000 1.056 126 S HN 0.241 nan 8.310 nan 0.000 0.481 127 I N 2.460 122.894 120.570 -0.227 0.000 2.474 127 I HA 0.528 4.672 4.170 -0.044 0.000 0.294 127 I C -0.313 175.850 176.117 0.078 0.000 1.005 127 I CA -0.693 60.565 61.300 -0.071 0.000 1.113 127 I CB 1.663 39.668 38.000 0.009 0.000 1.289 127 I HN 0.348 nan 8.210 nan 0.000 0.436 128 R N 5.076 125.652 120.500 0.126 0.000 2.483 128 R HA 0.317 4.631 4.340 -0.044 0.000 0.303 128 R C -0.497 175.828 176.300 0.042 0.000 0.987 128 R CA -0.526 55.678 56.100 0.174 0.000 0.881 128 R CB 1.730 32.190 30.300 0.267 0.000 1.177 128 R HN 0.558 nan 8.270 nan 0.000 0.451 129 F N 0.592 120.577 119.950 0.059 0.000 2.789 129 F HA -0.051 4.450 4.527 -0.044 0.000 0.300 129 F C 2.363 178.178 175.800 0.026 0.000 1.132 129 F CA 0.966 58.983 58.000 0.028 0.000 1.404 129 F CB 0.448 39.450 39.000 0.003 0.000 1.114 129 F HN 0.500 nan 8.300 nan 0.000 0.584 130 T N -3.776 110.873 114.554 0.158 0.000 2.942 130 T HA -0.110 4.213 4.350 -0.044 0.000 0.265 130 T C 1.341 176.061 174.700 0.034 0.000 1.062 130 T CA 1.115 63.269 62.100 0.091 0.000 1.139 130 T CB -0.244 68.666 68.868 0.070 0.000 0.883 130 T HN -0.012 nan 8.240 nan 0.000 0.468 131 D N 0.681 121.086 120.400 0.008 0.000 2.363 131 D HA 0.204 4.817 4.640 -0.044 0.000 0.226 131 D C 1.674 177.945 176.300 -0.048 0.000 1.020 131 D CA -0.111 53.840 54.000 -0.083 0.000 0.892 131 D CB -0.295 40.462 40.800 -0.072 0.000 0.900 131 D HN 0.428 nan 8.370 nan 0.000 0.531 132 I N 0.747 121.318 120.570 0.001 0.000 2.208 132 I HA -0.270 3.874 4.170 -0.044 0.000 0.245 132 I C 1.220 177.388 176.117 0.084 0.000 1.097 132 I CA 1.455 62.760 61.300 0.009 0.000 1.363 132 I CB 0.202 38.190 38.000 -0.019 0.000 1.051 132 I HN -0.105 nan 8.210 nan 0.000 0.413 133 D N 0.411 120.880 120.400 0.114 0.000 2.309 133 D HA -0.169 4.445 4.640 -0.044 0.000 0.212 133 D C 1.293 177.658 176.300 0.107 0.000 0.968 133 D CA 1.101 55.197 54.000 0.159 0.000 0.882 133 D CB -0.402 40.502 40.800 0.173 0.000 0.918 133 D HN 0.614 nan 8.370 nan 0.000 0.503 134 N N -0.081 118.644 118.700 0.041 0.000 2.412 134 N HA -0.002 4.712 4.740 -0.044 0.000 0.184 134 N C -0.016 175.573 175.510 0.131 0.000 1.101 134 N CA -0.233 52.848 53.050 0.052 0.000 0.881 134 N CB 0.856 39.245 38.487 -0.162 0.000 0.969 134 N HN -0.114 nan 8.380 nan 0.000 0.459 135 V N 0.939 120.917 119.914 0.106 0.000 2.479 135 V HA 0.221 4.315 4.120 -0.044 0.000 0.281 135 V C 1.352 177.420 176.094 -0.043 0.000 1.031 135 V CA 0.505 62.848 62.300 0.071 0.000 1.038 135 V CB 0.277 32.147 31.823 0.078 0.000 0.981 135 V HN 0.499 nan 8.190 nan 0.000 0.478 136 G N 4.049 112.778 108.800 -0.117 0.000 2.176 136 G HA2 -0.255 3.679 3.960 -0.044 0.000 0.253 136 G HA3 -0.255 3.679 3.960 -0.044 0.000 0.253 136 G C 0.533 175.491 174.900 0.097 0.000 0.979 136 G CA 0.492 45.474 45.100 -0.197 0.000 0.641 136 G HN 0.634 nan 8.290 nan 0.000 0.530 137 I N 0.642 121.291 120.570 0.132 0.000 3.616 137 I HA 0.089 4.232 4.170 -0.044 0.000 0.296 137 I C 2.629 178.850 176.117 0.173 0.000 1.226 137 I CA 1.626 63.010 61.300 0.139 0.000 1.394 137 I CB 0.207 38.277 38.000 0.117 0.000 1.171 137 I HN 0.301 nan 8.210 nan 0.000 0.442 138 T N -2.679 112.002 114.554 0.212 0.000 3.037 138 T HA 0.268 4.592 4.350 -0.044 0.000 0.252 138 T C 1.644 176.410 174.700 0.110 0.000 1.073 138 T CA 0.723 62.944 62.100 0.202 0.000 1.091 138 T CB 0.723 69.771 68.868 0.301 0.000 0.935 138 T HN 0.416 nan 8.240 nan 0.000 0.488 139 G N 2.683 111.507 108.800 0.040 0.000 2.175 139 G HA2 -0.284 3.650 3.960 -0.044 0.000 0.244 139 G HA3 -0.284 3.650 3.960 -0.044 0.000 0.244 139 G C 0.909 175.268 174.900 -0.902 0.000 0.982 139 G CA 0.404 45.309 45.100 -0.325 0.000 0.641 139 G HN 0.856 nan 8.290 nan 0.000 0.527 140 R N -0.624 119.500 120.500 -0.626 0.000 2.539 140 R HA 0.279 4.593 4.340 -0.044 0.000 0.342 140 R C -0.027 175.978 176.300 -0.493 0.000 0.941 140 R CA -0.124 55.581 56.100 -0.659 0.000 1.146 140 R CB 0.176 30.348 30.300 -0.213 0.000 1.541 140 R HN 0.416 nan 8.270 nan 0.000 0.525 141 H N 0.333 119.278 119.070 -0.208 0.000 2.527 141 H HA 0.410 4.940 4.556 -0.044 0.000 0.321 141 H C -1.186 174.059 175.328 -0.138 0.000 1.087 141 H CA 0.014 56.032 56.048 -0.049 0.000 1.337 141 H CB 0.927 30.705 29.762 0.028 0.000 1.440 141 H HN -0.056 nan 8.280 nan 0.000 0.490 142 F N -0.032 120.023 119.950 0.175 0.000 2.577 142 F HA 0.210 4.711 4.527 -0.044 0.000 0.318 142 F C 1.274 177.178 175.800 0.173 0.000 1.065 142 F CA -0.779 57.340 58.000 0.198 0.000 0.929 142 F CB 2.051 41.167 39.000 0.194 0.000 1.237 142 F HN 0.491 nan 8.300 nan 0.000 0.468 143 T N 1.302 116.037 114.554 0.301 0.000 2.896 143 T HA 0.071 4.394 4.350 -0.044 0.000 0.263 143 T C 0.074 174.862 174.700 0.146 0.000 1.050 143 T CA 1.047 63.186 62.100 0.065 0.000 1.140 143 T CB -0.041 68.745 68.868 -0.137 0.000 0.877 143 T HN 0.317 nan 8.240 nan 0.000 0.457 144 I N 1.903 122.612 120.570 0.232 0.000 2.466 144 I HA 0.555 4.699 4.170 -0.044 0.000 0.289 144 I C -1.703 174.477 176.117 0.106 0.000 1.026 144 I CA -1.561 59.754 61.300 0.025 0.000 1.078 144 I CB 0.997 38.955 38.000 -0.070 0.000 1.249 144 I HN 0.171 nan 8.210 nan 0.000 0.429 145 F N 3.514 123.356 119.950 -0.179 0.000 2.693 145 F HA 0.640 5.140 4.527 -0.044 0.000 0.309 145 F C -1.206 174.469 175.800 -0.208 0.000 1.129 145 F CA -0.947 56.905 58.000 -0.247 0.000 0.948 145 F CB 1.017 39.870 39.000 -0.246 0.000 1.315 145 F HN 0.340 nan 8.300 nan 0.000 0.447 146 E N 2.306 122.438 120.200 -0.113 0.000 2.174 146 E HA 0.380 4.703 4.350 -0.044 0.000 0.282 146 E C -1.112 175.481 176.600 -0.012 0.000 0.992 146 E CA -0.813 55.506 56.400 -0.134 0.000 0.803 146 E CB 1.747 31.423 29.700 -0.039 0.000 1.090 146 E HN 0.714 nan 8.360 nan 0.000 0.396 147 M N 5.138 124.687 119.600 -0.084 0.000 2.088 147 M HA 0.326 4.780 4.480 -0.044 0.000 0.346 147 M C -1.184 175.053 176.300 -0.106 0.000 1.111 147 M CA -0.197 55.104 55.300 0.002 0.000 1.017 147 M CB 0.455 33.080 32.600 0.041 0.000 1.568 147 M HN 0.435 nan 8.290 nan 0.000 0.445 148 M N 4.508 123.962 119.600 -0.242 0.000 2.277 148 M HA 0.736 5.189 4.480 -0.044 0.000 0.350 148 M C -0.535 175.533 176.300 -0.387 0.000 1.180 148 M CA -0.538 54.417 55.300 -0.575 0.000 1.103 148 M CB 1.568 33.326 32.600 -1.403 0.000 1.577 148 M HN 0.788 nan 8.290 nan 0.000 0.459 149 A N 1.683 124.368 122.820 -0.226 0.000 2.517 149 A HA 0.634 4.928 4.320 -0.044 0.000 0.297 149 A C -1.475 175.972 177.584 -0.227 0.000 1.050 149 A CA -0.919 51.003 52.037 -0.192 0.000 0.694 149 A CB 0.770 19.545 19.000 -0.376 0.000 1.277 149 A HN 1.000 nan 8.150 nan 0.000 0.400 150 H N 0.516 119.294 119.070 -0.486 0.000 2.458 150 H HA 0.855 5.385 4.556 -0.044 0.000 0.330 150 H C -0.673 174.376 175.328 -0.464 0.000 1.111 150 H CA -0.575 55.148 56.048 -0.541 0.000 1.245 150 H CB 1.024 30.191 29.762 -0.991 0.000 1.456 150 H HN 0.597 nan 8.280 nan 0.000 0.488 151 H N 1.443 120.455 119.070 -0.097 0.000 2.747 151 H HA 0.714 5.244 4.556 -0.043 0.000 0.371 151 H C -0.985 174.029 175.328 -0.523 0.000 1.161 151 H CA -0.741 55.057 56.048 -0.417 0.000 1.167 151 H CB 2.249 31.670 29.762 -0.568 0.000 1.732 151 H HN 0.910 nan 8.280 nan 0.000 0.544 152 A N 2.312 124.705 122.820 -0.711 0.000 2.422 152 A HA 0.626 4.919 4.320 -0.044 0.000 0.302 152 A C -1.706 175.341 177.584 -0.896 0.000 1.041 152 A CA -0.636 50.944 52.037 -0.762 0.000 0.708 152 A CB 0.828 19.208 19.000 -1.033 0.000 1.257 152 A HN 0.429 nan 8.150 nan 0.000 0.414 153 F N 2.356 122.073 119.950 -0.389 0.000 2.382 153 F HA 0.334 4.836 4.527 -0.042 0.000 0.361 153 F C 0.354 175.765 175.800 -0.649 0.000 1.109 153 F CA -0.717 56.957 58.000 -0.543 0.000 1.031 153 F CB 1.647 40.266 39.000 -0.634 0.000 1.234 153 F HN 0.514 nan 8.300 nan 0.000 0.445 154 N N 4.148 122.583 118.700 -0.442 0.000 2.482 154 N HA 0.095 4.809 4.740 -0.044 0.000 0.242 154 N C -0.841 174.462 175.510 -0.344 0.000 1.100 154 N CA -0.199 52.631 53.050 -0.366 0.000 0.946 154 N CB 0.502 38.747 38.487 -0.402 0.000 1.227 154 N HN 0.433 nan 8.380 nan 0.000 0.508 155 Y N 1.530 121.796 120.300 -0.058 0.000 2.326 155 Y HA 0.214 4.740 4.550 -0.039 0.000 0.333 155 Y C -1.571 174.286 175.900 -0.072 0.000 1.240 155 Y CA -1.991 56.079 58.100 -0.050 0.000 1.365 155 Y CB -0.177 38.268 38.460 -0.024 0.000 1.289 155 Y HN 0.380 nan 8.280 nan 0.000 0.548 156 P HA 0.050 nan 4.420 nan 0.000 0.262 156 P C 0.711 178.025 177.300 0.024 0.000 1.182 156 P CA 1.633 64.743 63.100 0.017 0.000 0.761 156 P CB 0.376 32.087 31.700 0.018 0.000 0.795 157 G N 2.305 111.101 108.800 -0.006 0.000 2.205 157 G HA2 -0.296 3.637 3.960 -0.044 0.000 0.261 157 G HA3 -0.296 3.637 3.960 -0.044 0.000 0.261 157 G C 0.373 175.277 174.900 0.006 0.000 0.980 157 G CA 0.225 45.324 45.100 -0.001 0.000 0.632 157 G HN 0.601 nan 8.290 nan 0.000 0.533 158 K N 1.320 121.729 120.400 0.015 0.000 2.920 158 K HA 0.361 4.655 4.320 -0.044 0.000 0.175 158 K C -2.540 174.059 176.600 -0.002 0.000 1.099 158 K CA -1.587 54.717 56.287 0.029 0.000 0.939 158 K CB 1.751 34.300 32.500 0.081 0.000 1.148 158 K HN 0.167 nan 8.250 nan 0.000 0.613 159 P HA 0.015 nan 4.420 nan 0.000 0.268 159 P C 0.070 177.355 177.300 -0.025 0.000 1.205 159 P CA -0.198 62.869 63.100 -0.056 0.000 0.771 159 P CB 1.100 32.779 31.700 -0.036 0.000 0.858 160 I N 1.838 122.365 120.570 -0.072 0.000 3.744 160 I HA 0.181 4.325 4.170 -0.044 0.000 0.240 160 I C 0.667 176.798 176.117 0.024 0.000 1.096 160 I CA 0.968 62.233 61.300 -0.059 0.000 1.558 160 I CB -1.049 36.824 38.000 -0.211 0.000 1.531 160 I HN 0.463 nan 8.210 nan 0.000 0.459 161 Y N -2.365 117.901 120.300 -0.057 0.000 2.741 161 Y HA 0.483 5.007 4.550 -0.043 0.000 0.339 161 Y C -1.044 174.935 175.900 0.133 0.000 1.226 161 Y CA -1.985 56.075 58.100 -0.067 0.000 1.072 161 Y CB 0.749 38.986 38.460 -0.372 0.000 1.331 161 Y HN 0.207 nan 8.280 nan 0.000 0.453 162 W N 2.213 123.582 121.300 0.115 0.000 4.204 162 W HA 0.311 4.946 4.660 -0.042 0.000 0.468 162 W C 0.810 177.305 176.519 -0.040 0.000 1.772 162 W CA -0.906 56.436 57.345 -0.004 0.000 0.971 162 W CB 1.374 30.766 29.460 -0.113 0.000 2.196 162 W HN 0.704 nan 8.180 nan 0.000 0.632 163 M N 1.133 120.219 119.600 -0.856 0.000 2.086 163 M HA -0.215 4.239 4.480 -0.044 0.000 0.261 163 M C 1.383 177.358 176.300 -0.541 0.000 1.067 163 M CA 2.190 56.814 55.300 -1.128 0.000 1.116 163 M CB -0.604 31.123 32.600 -1.454 0.000 1.348 163 M HN 0.213 nan 8.290 nan 0.000 0.407 164 D N 0.186 120.354 120.400 -0.385 0.000 2.104 164 D HA -0.176 4.438 4.640 -0.044 0.000 0.194 164 D C 1.842 177.976 176.300 -0.277 0.000 0.994 164 D CA 1.552 55.348 54.000 -0.341 0.000 0.830 164 D CB -0.260 40.411 40.800 -0.214 0.000 0.959 164 D HN 0.401 nan 8.370 nan 0.000 0.452 165 E N -0.287 119.794 120.200 -0.199 0.000 2.076 165 E HA -0.039 4.284 4.350 -0.044 0.000 0.190 165 E C 2.169 178.609 176.600 -0.268 0.000 0.979 165 E CA 0.965 57.195 56.400 -0.283 0.000 0.807 165 E CB -0.367 29.013 29.700 -0.532 0.000 0.761 165 E HN 0.107 nan 8.360 nan 0.000 0.454 166 T N 0.808 115.311 114.554 -0.086 0.000 2.665 166 T HA -0.191 4.133 4.350 -0.044 0.000 0.268 166 T C 2.110 176.890 174.700 0.133 0.000 1.035 166 T CA 1.806 64.003 62.100 0.161 0.000 1.151 166 T CB -0.428 68.701 68.868 0.435 0.000 0.862 166 T HN 0.242 nan 8.240 nan 0.000 0.438 167 V N 0.297 120.180 119.914 -0.052 0.000 2.667 167 V HA -0.000 4.093 4.120 -0.044 0.000 0.252 167 V C 2.006 178.045 176.094 -0.092 0.000 1.065 167 V CA 1.473 63.684 62.300 -0.149 0.000 1.083 167 V CB -0.692 30.680 31.823 -0.753 0.000 0.692 167 V HN 0.441 nan 8.190 nan 0.000 0.468 168 E N 0.596 120.717 120.200 -0.131 0.000 2.106 168 E HA -0.091 4.232 4.350 -0.044 0.000 0.192 168 E C 2.191 178.860 176.600 0.115 0.000 0.984 168 E CA 1.713 58.110 56.400 -0.004 0.000 0.806 168 E CB -0.238 29.436 29.700 -0.045 0.000 0.750 168 E HN 0.618 nan 8.360 nan 0.000 0.458 169 L N 0.444 121.690 121.223 0.038 0.000 2.005 169 L HA -0.153 4.161 4.340 -0.044 0.000 0.207 169 L C 2.613 179.567 176.870 0.141 0.000 1.072 169 L CA 0.975 55.829 54.840 0.023 0.000 0.744 169 L CB -0.516 41.466 42.059 -0.129 0.000 0.895 169 L HN 0.150 nan 8.230 nan 0.000 0.433 170 A N -0.037 122.938 122.820 0.259 0.000 1.873 170 A HA -0.316 3.977 4.320 -0.044 0.000 0.218 170 A C 2.189 179.877 177.584 0.173 0.000 1.193 170 A CA 2.051 54.239 52.037 0.251 0.000 0.629 170 A CB -1.036 18.241 19.000 0.461 0.000 0.826 170 A HN 0.411 nan 8.150 nan 0.000 0.447 171 F N 0.433 120.532 119.950 0.250 0.000 2.186 171 F HA -0.096 4.405 4.527 -0.044 0.000 0.299 171 F C 2.198 178.090 175.800 0.154 0.000 1.090 171 F CA 1.952 60.148 58.000 0.326 0.000 1.307 171 F CB -0.205 38.999 39.000 0.340 0.000 1.019 171 F HN 0.449 nan 8.300 nan 0.000 0.489 172 E N -0.561 119.729 120.200 0.151 0.000 2.031 172 E HA -0.278 4.045 4.350 -0.044 0.000 0.193 172 E C 2.246 178.648 176.600 -0.329 0.000 0.994 172 E CA 1.526 57.933 56.400 0.012 0.000 0.800 172 E CB -0.506 29.342 29.700 0.247 0.000 0.752 172 E HN 0.428 nan 8.360 nan 0.000 0.447 173 F N 0.274 119.789 119.950 -0.726 0.000 2.126 173 F HA -0.203 4.298 4.527 -0.043 0.000 0.299 173 F C 1.653 177.056 175.800 -0.661 0.000 1.096 173 F CA 1.322 58.600 58.000 -1.203 0.000 1.255 173 F CB -0.251 38.020 39.000 -1.215 0.000 0.997 173 F HN 0.038 nan 8.300 nan 0.000 0.479 174 F N 0.578 120.272 119.950 -0.426 0.000 2.163 174 F HA -0.091 4.409 4.527 -0.044 0.000 0.297 174 F C 2.817 178.267 175.800 -0.584 0.000 1.094 174 F CA 1.723 59.411 58.000 -0.521 0.000 1.290 174 F CB -1.533 37.291 39.000 -0.292 0.000 1.017 174 F HN 0.105 nan 8.300 nan 0.000 0.483 175 T N -3.032 111.283 114.554 -0.397 0.000 3.010 175 T HA 0.027 4.350 4.350 -0.044 0.000 0.252 175 T C 1.862 176.374 174.700 -0.314 0.000 1.047 175 T CA 0.658 62.508 62.100 -0.417 0.000 1.140 175 T CB -0.048 68.434 68.868 -0.643 0.000 0.885 175 T HN -0.078 nan 8.240 nan 0.000 0.464 176 K N 0.748 120.958 120.400 -0.317 0.000 2.166 176 K HA 0.238 4.532 4.320 -0.044 0.000 0.201 176 K C 2.476 178.919 176.600 -0.263 0.000 1.052 176 K CA 0.701 56.853 56.287 -0.225 0.000 0.969 176 K CB 0.106 32.523 32.500 -0.138 0.000 0.761 176 K HN 0.260 nan 8.250 nan 0.000 0.459 177 E N -0.091 119.842 120.200 -0.445 0.000 2.127 177 E HA 0.088 4.412 4.350 -0.044 0.000 0.191 177 E C 1.644 177.998 176.600 -0.411 0.000 0.964 177 E CA 0.731 56.861 56.400 -0.451 0.000 0.832 177 E CB 0.281 29.562 29.700 -0.699 0.000 0.790 177 E HN 0.206 nan 8.360 nan 0.000 0.465 178 L N 0.611 121.508 121.223 -0.544 0.000 2.616 178 L HA 0.114 4.427 4.340 -0.044 0.000 0.229 178 L C -0.009 176.725 176.870 -0.227 0.000 1.110 178 L CA 0.005 54.605 54.840 -0.399 0.000 0.884 178 L CB 0.172 41.900 42.059 -0.552 0.000 1.115 178 L HN -0.084 nan 8.230 nan 0.000 0.481 179 K N 0.311 120.574 120.400 -0.228 0.000 3.096 179 K HA -0.175 4.119 4.320 -0.044 0.000 0.266 179 K C -0.172 176.345 176.600 -0.139 0.000 1.043 179 K CA 0.941 57.138 56.287 -0.150 0.000 0.758 179 K CB -2.199 30.255 32.500 -0.078 0.000 1.260 179 K HN 0.411 nan 8.250 nan 0.000 0.481 180 M N 0.489 119.948 119.600 -0.235 0.000 2.255 180 M HA 0.195 4.649 4.480 -0.044 0.000 0.336 180 M C 0.844 177.083 176.300 -0.102 0.000 1.135 180 M CA -0.132 55.010 55.300 -0.264 0.000 1.145 180 M CB 0.824 32.944 32.600 -0.799 0.000 1.473 180 M HN -0.027 nan 8.290 nan 0.000 0.462 181 K N 2.603 123.084 120.400 0.135 0.000 2.402 181 K HA 0.109 4.403 4.320 -0.044 0.000 0.285 181 K C -1.901 174.792 176.600 0.155 0.000 1.054 181 K CA -1.357 55.013 56.287 0.139 0.000 1.001 181 K CB 0.770 33.363 32.500 0.154 0.000 0.946 181 K HN 0.255 nan 8.250 nan 0.000 0.473 182 P HA -0.200 nan 4.420 nan 0.000 0.215 182 P C 0.327 177.740 177.300 0.187 0.000 1.153 182 P CA 1.229 64.449 63.100 0.200 0.000 0.853 182 P CB 0.165 32.003 31.700 0.229 0.000 0.788 183 E N -0.860 119.391 120.200 0.086 0.000 2.516 183 E HA -0.103 4.220 4.350 -0.044 0.000 0.199 183 E C 0.378 177.014 176.600 0.060 0.000 1.069 183 E CA 0.827 57.237 56.400 0.016 0.000 0.876 183 E CB -0.676 29.016 29.700 -0.013 0.000 0.843 183 E HN 0.304 nan 8.360 nan 0.000 0.530 184 D N 0.451 120.932 120.400 0.135 0.000 2.407 184 D HA 0.230 4.844 4.640 -0.044 0.000 0.208 184 D C 0.352 176.782 176.300 0.218 0.000 1.083 184 D CA -0.092 53.977 54.000 0.115 0.000 0.844 184 D CB 0.592 41.410 40.800 0.031 0.000 0.967 184 D HN 0.169 nan 8.370 nan 0.000 0.506 185 I N 1.357 122.115 120.570 0.313 0.000 2.395 185 I HA 0.157 4.301 4.170 -0.044 0.000 0.289 185 I C 0.394 176.730 176.117 0.365 0.000 1.023 185 I CA -0.063 61.420 61.300 0.305 0.000 1.350 185 I CB 1.311 39.524 38.000 0.355 0.000 1.409 185 I HN -0.152 nan 8.210 nan 0.000 0.507 186 T N 2.258 116.936 114.554 0.207 0.000 2.907 186 T HA 0.582 4.906 4.350 -0.044 0.000 0.292 186 T C -0.686 174.059 174.700 0.074 0.000 1.043 186 T CA -0.672 61.629 62.100 0.335 0.000 1.003 186 T CB 1.455 70.507 68.868 0.308 0.000 1.084 186 T HN 0.137 nan 8.240 nan 0.000 0.483 187 F N 1.651 121.759 119.950 0.264 0.000 2.325 187 F HA 0.456 4.956 4.527 -0.044 0.000 0.369 187 F C 0.675 176.708 175.800 0.388 0.000 1.095 187 F CA -0.892 57.188 58.000 0.133 0.000 1.082 187 F CB 1.475 40.268 39.000 -0.344 0.000 1.289 187 F HN 0.493 nan 8.300 nan 0.000 0.462 188 K N 4.000 124.715 120.400 0.525 0.000 2.227 188 K HA 0.232 4.526 4.320 -0.044 0.000 0.280 188 K C -0.181 176.772 176.600 0.589 0.000 1.041 188 K CA -0.402 56.193 56.287 0.514 0.000 0.905 188 K CB 0.686 33.367 32.500 0.301 0.000 1.068 188 K HN 0.606 nan 8.250 nan 0.000 0.470 189 E N 2.977 123.506 120.200 0.548 0.000 2.324 189 E HA -0.026 4.298 4.350 -0.044 0.000 0.271 189 E C -0.631 176.108 176.600 0.231 0.000 1.028 189 E CA 0.050 56.667 56.400 0.362 0.000 0.890 189 E CB 0.485 30.381 29.700 0.327 0.000 1.004 189 E HN 0.353 nan 8.360 nan 0.000 0.431 190 N N 4.213 123.003 118.700 0.150 0.000 2.732 190 N HA 0.200 4.914 4.740 -0.044 0.000 0.247 190 N C -2.880 172.704 175.510 0.124 0.000 1.305 190 N CA -1.794 51.343 53.050 0.145 0.000 0.762 190 N CB 0.926 39.507 38.487 0.156 0.000 1.361 190 N HN 0.110 nan 8.380 nan 0.000 0.545 191 P HA -0.078 nan 4.420 nan 0.000 0.267 191 P C -0.891 176.536 177.300 0.212 0.000 1.175 191 P CA 0.483 63.689 63.100 0.176 0.000 0.763 191 P CB 0.332 32.206 31.700 0.290 0.000 0.795 192 W N 2.892 124.185 121.300 -0.011 0.000 2.656 192 W HA 0.631 5.264 4.660 -0.045 0.000 0.327 192 W C -1.381 175.131 176.519 -0.011 0.000 1.041 192 W CA -0.464 56.873 57.345 -0.014 0.000 1.229 192 W CB 1.405 30.837 29.460 -0.047 0.000 1.397 192 W HN 0.450 nan 8.180 nan 0.000 0.479 193 A N 3.145 125.628 122.820 -0.561 0.000 2.365 193 A HA 0.772 5.065 4.320 -0.044 0.000 0.318 193 A C 0.048 176.915 177.584 -1.194 0.000 1.091 193 A CA -0.222 51.453 52.037 -0.604 0.000 0.763 193 A CB 1.595 20.444 19.000 -0.251 0.000 1.248 193 A HN 1.237 nan 8.150 nan 0.000 0.442 194 G N 0.243 108.439 108.800 -1.006 0.000 4.162 194 G HA2 0.540 4.474 3.960 -0.044 0.000 0.252 194 G HA3 0.540 4.474 3.960 -0.044 0.000 0.252 194 G C 0.685 175.434 174.900 -0.251 0.000 1.064 194 G CA 0.679 45.163 45.100 -1.027 0.000 0.850 194 G HN 2.294 nan 8.290 nan 0.000 0.454 195 G N -0.466 108.265 108.800 -0.115 0.000 3.038 195 G HA2 0.369 4.302 3.960 -0.044 0.000 0.241 195 G HA3 0.369 4.302 3.960 -0.044 0.000 0.241 195 G C 1.113 176.054 174.900 0.069 0.000 0.968 195 G CA 0.894 45.991 45.100 -0.004 0.000 0.949 195 G HN 1.909 nan 8.290 nan 0.000 0.394 196 G N 1.495 110.361 108.800 0.110 0.000 2.424 196 G HA2 -0.082 3.851 3.960 -0.044 0.000 0.207 196 G HA3 -0.082 3.851 3.960 -0.044 0.000 0.207 196 G C 0.191 175.255 174.900 0.274 0.000 1.061 196 G CA 0.663 45.846 45.100 0.139 0.000 0.657 196 G HN 2.325 nan 8.290 nan 0.000 0.508 197 N N -0.051 118.851 118.700 0.335 0.000 2.823 197 N HA 0.680 5.394 4.740 -0.044 0.000 0.251 197 N C -0.875 174.814 175.510 0.299 0.000 1.392 197 N CA -0.159 53.136 53.050 0.409 0.000 0.864 197 N CB 1.825 40.521 38.487 0.348 0.000 1.481 197 N HN 1.451 nan 8.380 nan 0.000 0.508 198 A N -0.438 122.497 122.820 0.192 0.000 2.547 198 A HA 0.912 5.206 4.320 -0.044 0.000 0.297 198 A C -0.733 177.046 177.584 0.325 0.000 1.056 198 A CA -0.131 51.974 52.037 0.113 0.000 0.688 198 A CB 1.816 20.470 19.000 -0.578 0.000 1.282 198 A HN 1.064 nan 8.150 nan 0.000 0.400 199 G N 0.687 109.715 108.800 0.380 0.000 2.623 199 G HA2 0.746 4.679 3.960 -0.044 0.000 0.290 199 G HA3 0.746 4.679 3.960 -0.044 0.000 0.290 199 G C -3.433 171.443 174.900 -0.040 0.000 1.437 199 G CA -1.037 44.207 45.100 0.241 0.000 0.798 199 G HN 0.555 nan 8.290 nan 0.000 0.488 200 P HA 0.396 nan 4.420 nan 0.000 0.266 200 P C -0.307 176.815 177.300 -0.295 0.000 1.193 200 P CA 0.356 63.030 63.100 -0.710 0.000 0.770 200 P CB 1.411 32.486 31.700 -1.042 0.000 0.836 201 A N 2.092 124.731 122.820 -0.303 0.000 2.594 201 A HA 0.742 5.036 4.320 -0.044 0.000 0.295 201 A C -1.578 175.838 177.584 -0.280 0.000 1.071 201 A CA -0.476 51.413 52.037 -0.247 0.000 0.685 201 A CB 1.045 19.976 19.000 -0.114 0.000 1.285 201 A HN 0.289 nan 8.150 nan 0.000 0.405 202 F N 0.369 120.388 119.950 0.116 0.000 2.538 202 F HA 0.557 5.058 4.527 -0.044 0.000 0.325 202 F C 0.468 176.338 175.800 0.117 0.000 1.066 202 F CA -0.361 57.763 58.000 0.208 0.000 0.946 202 F CB 2.200 41.428 39.000 0.380 0.000 1.199 202 F HN 0.582 nan 8.300 nan 0.000 0.473 203 E N 1.408 121.824 120.200 0.360 0.000 2.158 203 E HA 0.510 4.833 4.350 -0.044 0.000 0.271 203 E C -1.320 175.341 176.600 0.103 0.000 0.911 203 E CA -0.763 55.742 56.400 0.176 0.000 0.767 203 E CB 2.278 32.060 29.700 0.136 0.000 1.120 203 E HN 0.244 nan 8.360 nan 0.000 0.405 204 V N 5.014 124.914 119.914 -0.022 0.000 2.407 204 V HA 0.346 4.440 4.120 -0.044 0.000 0.278 204 V C -0.131 175.861 176.094 -0.170 0.000 1.037 204 V CA -0.517 61.654 62.300 -0.216 0.000 0.900 204 V CB 0.533 32.226 31.823 -0.217 0.000 0.983 204 V HN 0.520 nan 8.190 nan 0.000 0.459 205 L N 5.379 126.508 121.223 -0.157 0.000 2.386 205 L HA 0.624 4.937 4.340 -0.044 0.000 0.271 205 L C -1.207 175.648 176.870 -0.025 0.000 0.993 205 L CA -0.621 54.173 54.840 -0.076 0.000 0.819 205 L CB 2.076 44.116 42.059 -0.031 0.000 1.294 205 L HN 0.676 nan 8.230 nan 0.000 0.414 206 Y N 3.381 123.551 120.300 -0.216 0.000 2.330 206 Y HA 0.332 4.856 4.550 -0.044 0.000 0.324 206 Y C -0.083 175.704 175.900 -0.188 0.000 1.093 206 Y CA -0.885 57.081 58.100 -0.224 0.000 1.103 206 Y CB 1.013 39.263 38.460 -0.351 0.000 1.183 206 Y HN 0.558 nan 8.280 nan 0.000 0.433 207 R N 3.952 124.175 120.500 -0.462 0.000 3.502 207 R HA -0.232 4.082 4.340 -0.044 0.000 0.266 207 R C 0.889 177.165 176.300 -0.040 0.000 1.077 207 R CA 1.278 57.189 56.100 -0.316 0.000 0.718 207 R CB -2.078 27.963 30.300 -0.433 0.000 1.120 207 R HN 1.570 nan 8.270 nan 0.000 0.457 208 G N -1.396 107.399 108.800 -0.008 0.000 2.176 208 G HA2 -0.332 3.602 3.960 -0.044 0.000 0.253 208 G HA3 -0.332 3.602 3.960 -0.044 0.000 0.253 208 G C -0.095 174.947 174.900 0.236 0.000 0.979 208 G CA 0.226 45.408 45.100 0.137 0.000 0.641 208 G HN 0.296 nan 8.290 nan 0.000 0.530 209 L N 1.108 122.346 121.223 0.026 0.000 2.317 209 L HA 0.658 4.972 4.340 -0.044 0.000 0.281 209 L C 0.400 177.229 176.870 -0.069 0.000 1.024 209 L CA -0.991 53.807 54.840 -0.070 0.000 0.810 209 L CB 1.606 43.395 42.059 -0.449 0.000 1.240 209 L HN 0.231 nan 8.230 nan 0.000 0.427 210 E N 3.271 123.459 120.200 -0.019 0.000 2.104 210 E HA 0.143 4.467 4.350 -0.044 0.000 0.278 210 E C 0.443 177.003 176.600 -0.067 0.000 1.127 210 E CA -0.157 56.224 56.400 -0.032 0.000 0.897 210 E CB 0.764 30.471 29.700 0.013 0.000 1.043 210 E HN 0.625 nan 8.360 nan 0.000 0.410 211 V N 1.648 121.496 119.914 -0.110 0.000 3.650 211 V HA 0.510 4.604 4.120 -0.044 0.000 0.271 211 V C 0.428 176.541 176.094 0.033 0.000 1.281 211 V CA 0.478 62.728 62.300 -0.083 0.000 1.120 211 V CB -0.195 31.484 31.823 -0.240 0.000 0.856 211 V HN 0.530 nan 8.190 nan 0.000 0.443 212 A N -1.118 121.679 122.820 -0.038 0.000 2.599 212 A HA 0.692 4.986 4.320 -0.044 0.000 0.294 212 A C -0.598 176.898 177.584 -0.147 0.000 1.055 212 A CA -0.159 51.782 52.037 -0.160 0.000 0.683 212 A CB 1.359 20.180 19.000 -0.299 0.000 1.278 212 A HN 0.052 nan 8.150 nan 0.000 0.412 213 T N 1.733 116.156 114.554 -0.220 0.000 2.809 213 T HA 0.609 4.932 4.350 -0.044 0.000 0.284 213 T C -1.034 173.507 174.700 -0.264 0.000 0.992 213 T CA -0.167 61.839 62.100 -0.157 0.000 0.957 213 T CB 0.236 69.042 68.868 -0.104 0.000 0.942 213 T HN 0.476 nan 8.240 nan 0.000 0.439 214 L N 4.392 125.492 121.223 -0.205 0.000 2.316 214 L HA 0.709 5.023 4.340 -0.044 0.000 0.280 214 L C -0.683 175.736 176.870 -0.751 0.000 1.006 214 L CA -1.000 53.604 54.840 -0.393 0.000 0.836 214 L CB 1.497 43.529 42.059 -0.046 0.000 1.221 214 L HN 0.274 nan 8.230 nan 0.000 0.418 215 V N 3.111 122.397 119.914 -1.046 0.000 2.540 215 V HA 0.461 4.555 4.120 -0.044 0.000 0.302 215 V C -0.627 174.731 176.094 -1.227 0.000 1.035 215 V CA -0.383 61.300 62.300 -1.028 0.000 0.873 215 V CB 1.906 33.150 31.823 -0.965 0.000 0.992 215 V HN 0.400 nan 8.190 nan 0.000 0.428 216 F N 4.072 123.788 119.950 -0.391 0.000 2.359 216 F HA 0.529 5.029 4.527 -0.045 0.000 0.370 216 F C 0.444 176.227 175.800 -0.028 0.000 1.077 216 F CA -0.530 57.263 58.000 -0.346 0.000 1.136 216 F CB 1.006 39.524 39.000 -0.803 0.000 1.387 216 F HN 0.258 nan 8.300 nan 0.000 0.468 217 M N 4.041 123.718 119.600 0.129 0.000 2.227 217 M HA 0.165 4.619 4.480 -0.044 0.000 0.349 217 M C 0.419 176.841 176.300 0.203 0.000 1.443 217 M CA 0.676 56.065 55.300 0.149 0.000 1.110 217 M CB 0.666 33.307 32.600 0.068 0.000 1.773 217 M HN 0.736 nan 8.290 nan 0.000 0.463 218 Q N 1.612 121.496 119.800 0.139 0.000 1.859 218 Q HA 0.224 4.537 4.340 -0.044 0.000 0.180 218 Q C -1.273 174.505 176.000 -0.369 0.000 0.765 218 Q CA -0.244 55.499 55.803 -0.099 0.000 0.888 218 Q CB 0.368 29.040 28.738 -0.111 0.000 1.230 218 Q HN 0.661 nan 8.270 nan 0.000 0.402 219 Y N 1.724 122.115 120.300 0.152 0.000 2.492 219 Y HA 0.545 5.069 4.550 -0.043 0.000 0.346 219 Y C -0.617 175.431 175.900 0.247 0.000 0.997 219 Y CA -0.930 57.272 58.100 0.170 0.000 1.025 219 Y CB 2.004 40.511 38.460 0.079 0.000 1.263 219 Y HN 0.002 nan 8.280 nan 0.000 0.454 220 K N 1.457 122.154 120.400 0.495 0.000 2.395 220 K HA 0.619 4.913 4.320 -0.044 0.000 0.247 220 K C -1.053 175.790 176.600 0.406 0.000 0.973 220 K CA -1.366 55.186 56.287 0.442 0.000 0.828 220 K CB 2.430 35.072 32.500 0.237 0.000 1.272 220 K HN 0.582 nan 8.250 nan 0.000 0.439 239 Y N 0.701 120.981 120.300 -0.034 0.000 1.911 239 Y HA -0.115 4.408 4.550 -0.045 0.000 0.244 239 Y C 0.355 176.315 175.900 0.100 0.000 1.139 239 Y CA 2.728 60.842 58.100 0.023 0.000 1.070 239 Y CB 0.128 38.591 38.460 0.005 0.000 0.919 239 Y HN 0.358 nan 8.280 nan 0.000 0.497 240 I N -1.271 119.578 120.570 0.464 0.000 2.576 240 I HA -0.005 4.138 4.170 -0.044 0.000 0.304 240 I C -2.927 173.431 176.117 0.403 0.000 1.837 240 I CA -1.062 60.448 61.300 0.350 0.000 1.191 240 I CB 0.597 38.709 38.000 0.187 0.000 1.712 240 I HN -0.063 nan 8.210 nan 0.000 0.505 241 P HA 0.249 nan 4.420 nan 0.000 0.276 241 P C -0.040 177.268 177.300 0.013 0.000 1.253 241 P CA -0.185 62.944 63.100 0.049 0.000 0.766 241 P CB 0.527 32.230 31.700 0.005 0.000 0.845 242 M N 2.472 122.054 119.600 -0.031 0.000 2.250 242 M HA 0.002 4.456 4.480 -0.044 0.000 0.325 242 M C 1.717 177.990 176.300 -0.046 0.000 1.084 242 M CA 0.692 55.990 55.300 -0.004 0.000 1.161 242 M CB 0.363 32.962 32.600 -0.001 0.000 1.481 242 M HN 0.448 nan 8.290 nan 0.000 0.449 243 E N 0.618 120.811 120.200 -0.011 0.000 2.076 243 E HA -0.020 4.304 4.350 -0.044 0.000 0.190 243 E C -0.016 176.553 176.600 -0.051 0.000 0.979 243 E CA 0.858 57.246 56.400 -0.020 0.000 0.807 243 E CB 0.331 30.044 29.700 0.022 0.000 0.761 243 E HN 0.641 nan 8.360 nan 0.000 0.454 244 T N 1.910 116.446 114.554 -0.031 0.000 2.806 244 T HA 0.233 4.556 4.350 -0.044 0.000 0.290 244 T C -0.223 174.371 174.700 -0.176 0.000 0.966 244 T CA -0.224 61.820 62.100 -0.094 0.000 1.060 244 T CB 1.283 70.131 68.868 -0.033 0.000 0.927 244 T HN -0.096 nan 8.240 nan 0.000 0.485 245 K N 2.476 122.678 120.400 -0.329 0.000 2.240 245 K HA 0.559 4.852 4.320 -0.044 0.000 0.271 245 K C -0.958 175.455 176.600 -0.312 0.000 1.018 245 K CA -0.652 55.360 56.287 -0.457 0.000 0.874 245 K CB 1.446 33.298 32.500 -1.081 0.000 1.098 245 K HN 0.293 nan 8.250 nan 0.000 0.458 246 V N 3.633 123.523 119.914 -0.039 0.000 2.448 246 V HA 0.200 4.294 4.120 -0.044 0.000 0.295 246 V C -0.099 176.044 176.094 0.081 0.000 1.025 246 V CA -1.077 61.175 62.300 -0.081 0.000 0.859 246 V CB 1.732 33.491 31.823 -0.108 0.000 0.988 246 V HN 0.449 nan 8.190 nan 0.000 0.431 247 V N 3.832 123.716 119.914 -0.049 0.000 2.455 247 V HA 0.292 4.385 4.120 -0.044 0.000 0.273 247 V C -0.135 175.812 176.094 -0.245 0.000 1.045 247 V CA 0.032 62.271 62.300 -0.103 0.000 0.976 247 V CB 1.331 33.113 31.823 -0.068 0.000 0.993 247 V HN 0.980 nan 8.190 nan 0.000 0.475 248 D N 3.937 124.124 120.400 -0.354 0.000 2.420 248 D HA 0.382 4.996 4.640 -0.044 0.000 0.255 248 D C 0.173 176.221 176.300 -0.420 0.000 1.185 248 D CA -0.268 53.596 54.000 -0.227 0.000 0.904 248 D CB 1.350 41.960 40.800 -0.317 0.000 1.102 248 D HN 0.657 nan 8.370 nan 0.000 0.534 249 T N 0.062 114.332 114.554 -0.473 0.000 2.897 249 T HA 0.866 5.190 4.350 -0.044 0.000 0.278 249 T C 0.445 174.981 174.700 -0.274 0.000 0.981 249 T CA -0.881 60.945 62.100 -0.456 0.000 0.973 249 T CB 1.858 70.395 68.868 -0.552 0.000 1.092 249 T HN 0.369 nan 8.240 nan 0.000 0.543 250 G N 0.393 109.068 108.800 -0.209 0.000 2.413 250 G HA2 0.518 4.451 3.960 -0.044 0.000 0.285 250 G HA3 0.518 4.451 3.960 -0.044 0.000 0.285 250 G C -1.766 173.100 174.900 -0.058 0.000 1.337 250 G CA -0.804 44.259 45.100 -0.061 0.000 1.324 250 G HN 0.694 nan 8.290 nan 0.000 0.611 251 Y N 1.023 121.252 120.300 -0.120 0.000 2.341 251 Y HA 0.568 5.092 4.550 -0.044 0.000 0.338 251 Y C 0.947 176.791 175.900 -0.094 0.000 0.965 251 Y CA -1.041 57.023 58.100 -0.060 0.000 1.108 251 Y CB 2.605 41.026 38.460 -0.065 0.000 1.180 251 Y HN 0.674 nan 8.280 nan 0.000 0.458 252 G N 3.134 112.005 108.800 0.118 0.000 2.372 252 G HA2 0.227 4.160 3.960 -0.044 0.000 0.286 252 G HA3 0.227 4.160 3.960 -0.044 0.000 0.286 252 G C 0.619 175.546 174.900 0.046 0.000 1.153 252 G CA -0.309 44.832 45.100 0.069 0.000 0.985 252 G HN 0.765 nan 8.290 nan 0.000 0.429 253 L N 2.975 124.206 121.223 0.013 0.000 1.989 253 L HA -0.082 4.232 4.340 -0.044 0.000 0.211 253 L C 2.525 179.404 176.870 0.014 0.000 1.071 253 L CA 2.147 56.987 54.840 0.000 0.000 0.749 253 L CB -0.493 41.561 42.059 -0.009 0.000 0.890 253 L HN 0.566 nan 8.230 nan 0.000 0.431 254 E N -0.359 119.813 120.200 -0.047 0.000 2.058 254 E HA -0.218 4.106 4.350 -0.044 0.000 0.194 254 E C 2.335 178.962 176.600 0.045 0.000 0.997 254 E CA 1.624 57.967 56.400 -0.095 0.000 0.801 254 E CB -0.233 29.182 29.700 -0.474 0.000 0.746 254 E HN 0.407 nan 8.360 nan 0.000 0.450 255 R N -0.067 120.462 120.500 0.047 0.000 2.081 255 R HA -0.060 4.254 4.340 -0.044 0.000 0.235 255 R C 2.348 178.682 176.300 0.057 0.000 1.131 255 R CA 1.016 57.184 56.100 0.114 0.000 0.960 255 R CB -0.334 29.985 30.300 0.032 0.000 0.856 255 R HN 0.165 nan 8.270 nan 0.000 0.436 256 L N -0.237 121.015 121.223 0.048 0.000 2.056 256 L HA -0.161 4.152 4.340 -0.044 0.000 0.207 256 L C 2.249 179.143 176.870 0.041 0.000 1.078 256 L CA 0.886 55.742 54.840 0.027 0.000 0.749 256 L CB -0.322 41.792 42.059 0.092 0.000 0.901 256 L HN 0.055 nan 8.230 nan 0.000 0.433 257 V N -1.070 118.906 119.914 0.103 0.000 2.295 257 V HA -0.306 3.787 4.120 -0.044 0.000 0.246 257 V C 2.100 178.342 176.094 0.247 0.000 1.049 257 V CA 1.938 64.339 62.300 0.168 0.000 1.024 257 V CB -0.667 31.260 31.823 0.173 0.000 0.648 257 V HN 0.635 nan 8.190 nan 0.000 0.447 258 W N 0.435 121.755 121.300 0.033 0.000 2.321 258 W HA -0.283 4.350 4.660 -0.044 0.000 0.306 258 W C 2.338 178.899 176.519 0.069 0.000 1.217 258 W CA 2.365 59.751 57.345 0.068 0.000 1.257 258 W CB -0.642 28.848 29.460 0.051 0.000 1.145 258 W HN 0.315 nan 8.180 nan 0.000 0.509 259 M N 0.981 120.505 119.600 -0.128 0.000 2.358 259 M HA -0.145 4.308 4.480 -0.044 0.000 0.264 259 M C 2.164 178.428 176.300 -0.060 0.000 1.064 259 M CA 2.453 57.515 55.300 -0.396 0.000 1.093 259 M CB -0.747 31.582 32.600 -0.452 0.000 1.401 259 M HN 0.055 nan 8.290 nan 0.000 0.440 260 S N -1.943 113.801 115.700 0.074 0.000 2.503 260 S HA 0.035 4.478 4.470 -0.044 0.000 0.217 260 S C 1.812 176.522 174.600 0.182 0.000 0.999 260 S CA 0.334 58.628 58.200 0.157 0.000 0.914 260 S CB -0.080 63.289 63.200 0.282 0.000 0.782 260 S HN 0.562 nan 8.310 nan 0.000 0.520 261 Q N 1.087 121.020 119.800 0.222 0.000 2.226 261 Q HA 0.389 4.703 4.340 -0.044 0.000 0.199 261 Q C 1.497 177.628 176.000 0.219 0.000 0.945 261 Q CA 1.106 57.045 55.803 0.227 0.000 0.861 261 Q CB -0.187 28.715 28.738 0.274 0.000 0.953 261 Q HN 0.740 nan 8.270 nan 0.000 0.490 262 G N 0.835 109.796 108.800 0.268 0.000 2.143 262 G HA2 -0.290 3.643 3.960 -0.044 0.000 0.248 262 G HA3 -0.290 3.643 3.960 -0.044 0.000 0.248 262 G C 0.234 175.255 174.900 0.201 0.000 0.991 262 G CA 0.444 45.657 45.100 0.189 0.000 0.689 262 G HN 0.480 nan 8.290 nan 0.000 0.522 263 T N -1.274 113.494 114.554 0.357 0.000 2.860 263 T HA 0.527 4.851 4.350 -0.044 0.000 0.299 263 T C -0.375 174.513 174.700 0.314 0.000 1.045 263 T CA -0.613 61.656 62.100 0.281 0.000 1.071 263 T CB 1.846 70.853 68.868 0.231 0.000 0.985 263 T HN 0.037 nan 8.240 nan 0.000 0.537 264 P HA -0.023 nan 4.420 nan 0.000 0.219 264 P C 0.761 178.122 177.300 0.102 0.000 1.146 264 P CA 1.156 64.329 63.100 0.121 0.000 0.808 264 P CB -0.165 31.575 31.700 0.066 0.000 0.779 265 T N -6.045 108.464 114.554 -0.074 0.000 2.896 265 T HA 0.677 5.001 4.350 -0.044 0.000 0.297 265 T C 1.044 175.088 174.700 -1.094 0.000 1.108 265 T CA -0.253 61.521 62.100 -0.544 0.000 1.004 265 T CB 1.703 70.246 68.868 -0.542 0.000 1.159 265 T HN -0.083 nan 8.240 nan 0.000 0.499 266 A N 0.423 122.019 122.820 -2.041 0.000 2.070 266 A HA 0.044 4.338 4.320 -0.044 0.000 0.220 266 A C 1.659 178.845 177.584 -0.664 0.000 1.159 266 A CA 1.212 52.312 52.037 -1.561 0.000 0.656 266 A CB -1.235 17.036 19.000 -1.214 0.000 0.800 266 A HN 0.873 nan 8.150 nan 0.000 0.453 267 Y N 0.522 120.488 120.300 -0.557 0.000 2.263 267 Y HA -0.116 4.407 4.550 -0.044 0.000 0.292 267 Y C 1.979 177.792 175.900 -0.146 0.000 1.130 267 Y CA 0.903 58.778 58.100 -0.375 0.000 1.179 267 Y CB -0.437 37.520 38.460 -0.839 0.000 0.998 267 Y HN 0.321 nan 8.280 nan 0.000 0.532 268 D N -0.333 120.056 120.400 -0.019 0.000 2.310 268 D HA -0.054 4.560 4.640 -0.044 0.000 0.212 268 D C 1.988 178.352 176.300 0.107 0.000 0.965 268 D CA 1.158 55.219 54.000 0.103 0.000 0.879 268 D CB -0.032 40.842 40.800 0.123 0.000 0.921 268 D HN 0.405 nan 8.370 nan 0.000 0.510 269 A N 0.480 123.342 122.820 0.070 0.000 1.997 269 A HA 0.042 4.335 4.320 -0.044 0.000 0.212 269 A C 2.152 179.842 177.584 0.177 0.000 1.178 269 A CA 0.591 52.714 52.037 0.143 0.000 0.698 269 A CB 0.086 19.197 19.000 0.184 0.000 0.842 269 A HN 0.189 nan 8.150 nan 0.000 0.458 270 V N -2.032 117.993 119.914 0.184 0.000 3.379 270 V HA 0.328 4.422 4.120 -0.044 0.000 0.249 270 V C 1.129 177.411 176.094 0.314 0.000 1.184 270 V CA 0.848 63.299 62.300 0.252 0.000 1.106 270 V CB 0.098 32.048 31.823 0.212 0.000 0.826 270 V HN 0.319 nan 8.190 nan 0.000 0.465 271 L N 0.948 122.299 121.223 0.213 0.000 2.910 271 L HA 0.493 4.806 4.340 -0.044 0.000 0.252 271 L C 2.244 179.023 176.870 -0.151 0.000 1.195 271 L CA 0.491 55.328 54.840 -0.005 0.000 1.003 271 L CB -0.065 42.043 42.059 0.082 0.000 1.328 271 L HN 0.371 nan 8.230 nan 0.000 0.540 272 G N 1.340 110.174 108.800 0.056 0.000 2.513 272 G HA2 -0.381 3.552 3.960 -0.044 0.000 0.219 272 G HA3 -0.381 3.552 3.960 -0.044 0.000 0.219 272 G C 1.325 176.234 174.900 0.016 0.000 1.160 272 G CA 1.551 46.696 45.100 0.076 0.000 0.767 272 G HN 0.653 nan 8.290 nan 0.000 0.571 273 Y N -0.473 119.874 120.300 0.078 0.000 2.651 273 Y HA 0.237 4.761 4.550 -0.044 0.000 0.293 273 Y C 1.913 177.811 175.900 -0.003 0.000 1.151 273 Y CA 0.760 58.885 58.100 0.042 0.000 1.362 273 Y CB -0.330 38.158 38.460 0.048 0.000 0.973 273 Y HN 0.060 nan 8.280 nan 0.000 0.561 274 V N -1.845 117.785 119.914 -0.473 0.000 3.251 274 V HA -0.049 4.045 4.120 -0.044 0.000 0.239 274 V C 2.071 178.053 176.094 -0.186 0.000 1.332 274 V CA 0.668 62.758 62.300 -0.350 0.000 1.224 274 V CB 0.269 31.767 31.823 -0.542 0.000 1.004 274 V HN 0.224 nan 8.190 nan 0.000 0.464 275 V N 0.562 120.391 119.914 -0.143 0.000 2.233 275 V HA -0.232 3.862 4.120 -0.044 0.000 0.247 275 V C 2.643 178.692 176.094 -0.075 0.000 1.050 275 V CA 2.291 64.553 62.300 -0.063 0.000 1.010 275 V CB -0.517 31.358 31.823 0.086 0.000 0.637 275 V HN 0.536 nan 8.190 nan 0.000 0.444 276 E N -0.441 119.740 120.200 -0.032 0.000 2.038 276 E HA -0.179 4.144 4.350 -0.044 0.000 0.195 276 E C 0.402 176.977 176.600 -0.042 0.000 1.000 276 E CA 1.850 58.237 56.400 -0.022 0.000 0.803 276 E CB -2.068 27.644 29.700 0.021 0.000 0.750 276 E HN 0.485 nan 8.360 nan 0.000 0.448 277 P HA -0.157 nan 4.420 nan 0.000 0.216 277 P C 1.726 178.989 177.300 -0.062 0.000 1.154 277 P CA 1.166 64.244 63.100 -0.036 0.000 0.865 277 P CB -0.132 31.552 31.700 -0.026 0.000 0.789 278 L N -1.295 119.874 121.223 -0.090 0.000 2.141 278 L HA -0.169 4.145 4.340 -0.044 0.000 0.209 278 L C 2.367 179.148 176.870 -0.147 0.000 1.094 278 L CA 1.559 56.330 54.840 -0.115 0.000 0.763 278 L CB -0.604 41.372 42.059 -0.138 0.000 0.908 278 L HN -0.075 nan 8.230 nan 0.000 0.437 279 K N 0.082 120.381 120.400 -0.168 0.000 2.002 279 K HA -0.179 4.114 4.320 -0.044 0.000 0.209 279 K C 2.135 178.660 176.600 -0.125 0.000 1.048 279 K CA 1.402 57.572 56.287 -0.196 0.000 0.930 279 K CB -0.048 32.330 32.500 -0.202 0.000 0.714 279 K HN 0.150 nan 8.250 nan 0.000 0.438 280 K N 0.360 120.712 120.400 -0.081 0.000 2.020 280 K HA -0.180 4.113 4.320 -0.044 0.000 0.212 280 K C 2.208 178.776 176.600 -0.053 0.000 1.050 280 K CA 2.046 58.301 56.287 -0.053 0.000 0.929 280 K CB -0.202 32.279 32.500 -0.032 0.000 0.714 280 K HN 0.177 nan 8.250 nan 0.000 0.443 281 M N 0.279 119.845 119.600 -0.057 0.000 2.067 281 M HA -0.122 4.332 4.480 -0.044 0.000 0.260 281 M C 2.480 178.746 176.300 -0.057 0.000 1.069 281 M CA 1.716 56.987 55.300 -0.049 0.000 1.117 281 M CB -0.566 32.007 32.600 -0.046 0.000 1.334 281 M HN 0.141 nan 8.290 nan 0.000 0.407 282 A N 0.583 123.355 122.820 -0.080 0.000 2.125 282 A HA 0.172 4.465 4.320 -0.044 0.000 0.219 282 A C 1.564 179.100 177.584 -0.080 0.000 1.156 282 A CA 0.959 52.943 52.037 -0.087 0.000 0.671 282 A CB -1.440 17.485 19.000 -0.125 0.000 0.794 282 A HN 0.739 nan 8.150 nan 0.000 0.459 283 G N 0.091 108.846 108.800 -0.076 0.000 2.325 283 G HA2 -0.151 3.782 3.960 -0.044 0.000 0.274 283 G HA3 -0.151 3.782 3.960 -0.044 0.000 0.274 283 G C -0.089 174.771 174.900 -0.068 0.000 0.921 283 G CA 0.549 45.612 45.100 -0.061 0.000 1.340 283 G HN 1.513 nan 8.290 nan 0.000 0.447 284 I N -2.581 117.932 120.570 -0.094 0.000 2.493 284 I HA 0.642 4.786 4.170 -0.044 0.000 0.298 284 I C 0.479 176.565 176.117 -0.051 0.000 0.998 284 I CA -1.468 59.774 61.300 -0.098 0.000 1.137 284 I CB 1.448 39.336 38.000 -0.187 0.000 1.310 284 I HN 0.261 nan 8.210 nan 0.000 0.445 285 E N 4.441 124.634 120.200 -0.011 0.000 2.271 285 E HA 0.033 4.357 4.350 -0.044 0.000 0.255 285 E C -0.658 175.993 176.600 0.086 0.000 1.177 285 E CA -0.436 55.980 56.400 0.027 0.000 0.946 285 E CB -0.126 29.589 29.700 0.024 0.000 1.009 285 E HN 0.600 nan 8.360 nan 0.000 0.451 286 K N 3.418 123.874 120.400 0.092 0.000 2.412 286 K HA 0.108 4.402 4.320 -0.044 0.000 0.284 286 K C -0.157 176.528 176.600 0.141 0.000 1.046 286 K CA -0.251 56.145 56.287 0.182 0.000 0.999 286 K CB 0.543 33.128 32.500 0.141 0.000 0.941 286 K HN 0.517 nan 8.250 nan 0.000 0.474 287 I N 2.002 122.660 120.570 0.146 0.000 3.112 287 I HA -0.069 4.075 4.170 -0.044 0.000 0.284 287 I C 0.102 176.190 176.117 -0.048 0.000 1.227 287 I CA 0.123 61.402 61.300 -0.034 0.000 1.369 287 I CB 0.503 38.310 38.000 -0.321 0.000 1.376 287 I HN 0.880 nan 8.210 nan 0.000 0.608 288 D N 4.941 125.310 120.400 -0.053 0.000 2.389 288 D HA -0.080 4.533 4.640 -0.044 0.000 0.263 288 D C 1.079 177.337 176.300 -0.070 0.000 1.255 288 D CA 0.488 54.461 54.000 -0.045 0.000 0.914 288 D CB 0.748 41.526 40.800 -0.036 0.000 1.116 288 D HN 0.553 nan 8.370 nan 0.000 0.502 289 E N 4.190 124.361 120.200 -0.048 0.000 2.114 289 E HA -0.334 3.990 4.350 -0.044 0.000 0.199 289 E C 1.553 178.127 176.600 -0.043 0.000 1.008 289 E CA 1.232 57.606 56.400 -0.044 0.000 0.810 289 E CB 0.115 29.808 29.700 -0.010 0.000 0.739 289 E HN 0.579 nan 8.360 nan 0.000 0.456 290 K N 0.711 121.090 120.400 -0.035 0.000 2.032 290 K HA -0.232 4.062 4.320 -0.044 0.000 0.218 290 K C 2.230 178.807 176.600 -0.039 0.000 1.054 290 K CA 2.280 58.548 56.287 -0.032 0.000 0.941 290 K CB -0.468 32.015 32.500 -0.028 0.000 0.720 290 K HN 0.222 nan 8.250 nan 0.000 0.449 291 I N 0.971 121.510 120.570 -0.051 0.000 2.185 291 I HA -0.319 3.825 4.170 -0.044 0.000 0.246 291 I C 2.488 178.572 176.117 -0.055 0.000 1.088 291 I CA 0.927 62.194 61.300 -0.055 0.000 1.347 291 I CB -0.343 37.613 38.000 -0.073 0.000 1.041 291 I HN 0.232 nan 8.210 nan 0.000 0.415 292 L N -0.105 121.073 121.223 -0.075 0.000 2.109 292 L HA -0.117 4.196 4.340 -0.044 0.000 0.207 292 L C 2.434 179.303 176.870 -0.002 0.000 1.086 292 L CA 1.722 56.530 54.840 -0.055 0.000 0.760 292 L CB -0.432 41.568 42.059 -0.099 0.000 0.910 292 L HN 0.167 nan 8.230 nan 0.000 0.437 293 M N -1.357 118.239 119.600 -0.006 0.000 2.132 293 M HA -0.159 4.294 4.480 -0.044 0.000 0.263 293 M C 1.992 178.297 176.300 0.008 0.000 1.065 293 M CA 1.391 56.695 55.300 0.006 0.000 1.122 293 M CB -0.305 32.286 32.600 -0.013 0.000 1.365 293 M HN 0.132 nan 8.290 nan 0.000 0.411 294 E N 0.100 120.296 120.200 -0.008 0.000 2.152 294 E HA -0.139 4.185 4.350 -0.044 0.000 0.192 294 E C 1.496 178.095 176.600 -0.002 0.000 0.983 294 E CA 1.035 57.427 56.400 -0.014 0.000 0.818 294 E CB -0.639 29.044 29.700 -0.027 0.000 0.758 294 E HN 0.497 nan 8.360 nan 0.000 0.467 295 N N 1.012 119.717 118.700 0.009 0.000 2.025 295 N HA -0.142 4.571 4.740 -0.044 0.000 0.194 295 N C 1.852 177.406 175.510 0.072 0.000 1.044 295 N CA 2.044 55.110 53.050 0.028 0.000 0.851 295 N CB -0.145 38.361 38.487 0.032 0.000 1.036 295 N HN -0.112 nan 8.380 nan 0.000 0.422 296 S N 0.033 115.798 115.700 0.108 0.000 2.374 296 S HA -0.141 4.302 4.470 -0.044 0.000 0.227 296 S C 1.898 176.654 174.600 0.260 0.000 1.037 296 S CA 1.079 59.407 58.200 0.212 0.000 1.024 296 S CB -0.299 63.053 63.200 0.253 0.000 0.861 296 S HN 0.344 nan 8.310 nan 0.000 0.456 297 R N 0.382 120.968 120.500 0.143 0.000 2.082 297 R HA -0.056 4.258 4.340 -0.044 0.000 0.234 297 R C 2.292 178.545 176.300 -0.078 0.000 1.136 297 R CA 1.481 57.597 56.100 0.027 0.000 0.935 297 R CB -0.517 29.773 30.300 -0.017 0.000 0.842 297 R HN 0.313 nan 8.270 nan 0.000 0.430 298 L N -0.175 121.030 121.223 -0.030 0.000 2.156 298 L HA -0.062 4.251 4.340 -0.044 0.000 0.208 298 L C 2.447 179.340 176.870 0.038 0.000 1.095 298 L CA 0.947 55.765 54.840 -0.036 0.000 0.770 298 L CB -0.288 41.729 42.059 -0.071 0.000 0.914 298 L HN 0.259 nan 8.230 nan 0.000 0.439 299 A N -0.185 122.687 122.820 0.088 0.000 2.019 299 A HA -0.115 4.178 4.320 -0.044 0.000 0.219 299 A C 2.303 179.991 177.584 0.173 0.000 1.164 299 A CA 1.592 53.740 52.037 0.185 0.000 0.644 299 A CB -1.083 18.035 19.000 0.197 0.000 0.805 299 A HN 0.455 nan 8.150 nan 0.000 0.449 300 G N -0.641 108.172 108.800 0.021 0.000 2.464 300 G HA2 -0.165 3.768 3.960 -0.044 0.000 0.214 300 G HA3 -0.165 3.768 3.960 -0.044 0.000 0.214 300 G C 1.423 176.250 174.900 -0.123 0.000 1.218 300 G CA 1.003 45.981 45.100 -0.202 0.000 0.794 300 G HN 0.332 nan 8.290 nan 0.000 0.542 301 M N -0.524 118.984 119.600 -0.154 0.000 2.514 301 M HA 0.033 4.487 4.480 -0.044 0.000 0.259 301 M C 0.170 176.541 176.300 0.117 0.000 1.073 301 M CA 0.772 56.051 55.300 -0.036 0.000 1.049 301 M CB -0.714 31.870 32.600 -0.026 0.000 1.392 301 M HN 0.192 nan 8.290 nan 0.000 0.466 302 F N 1.002 120.934 119.950 -0.030 0.000 2.941 302 F HA 0.313 4.813 4.527 -0.044 0.000 0.359 302 F C -0.668 175.163 175.800 0.052 0.000 1.231 302 F CA -1.368 56.640 58.000 0.013 0.000 1.089 302 F CB 0.729 39.741 39.000 0.019 0.000 1.407 302 F HN -0.139 nan 8.300 nan 0.000 0.538 303 D N 5.464 125.782 120.400 -0.136 0.000 2.362 303 D HA 0.246 4.860 4.640 -0.044 0.000 0.242 303 D C 0.335 176.562 176.300 -0.122 0.000 1.132 303 D CA 0.219 54.191 54.000 -0.047 0.000 0.907 303 D CB 1.942 42.715 40.800 -0.045 0.000 1.195 303 D HN 0.469 nan 8.370 nan 0.000 0.429 304 I N 2.661 123.248 120.570 0.028 0.000 2.243 304 I HA -0.040 4.103 4.170 -0.044 0.000 0.297 304 I C 1.132 177.235 176.117 -0.024 0.000 1.161 304 I CA 0.015 61.329 61.300 0.022 0.000 1.298 304 I CB 0.161 38.211 38.000 0.084 0.000 1.475 304 I HN 0.073 nan 8.210 nan 0.000 0.561 305 E N 4.514 124.670 120.200 -0.072 0.000 2.365 305 E HA -0.013 4.310 4.350 -0.044 0.000 0.188 305 E C 0.132 176.721 176.600 -0.019 0.000 1.102 305 E CA 0.047 56.416 56.400 -0.052 0.000 0.927 305 E CB -0.090 29.563 29.700 -0.079 0.000 1.073 305 E HN 0.617 nan 8.360 nan 0.000 0.467 306 D N -0.260 120.143 120.400 0.005 0.000 4.529 306 D HA -0.327 4.286 4.640 -0.044 0.000 0.151 306 D C 1.524 177.855 176.300 0.050 0.000 0.685 306 D CA 1.664 55.684 54.000 0.033 0.000 1.198 306 D CB -1.117 39.698 40.800 0.025 0.000 0.658 306 D HN 0.208 nan 8.370 nan 0.000 0.542 307 L N -1.318 119.931 121.223 0.043 0.000 5.176 307 L HA -0.287 4.027 4.340 -0.044 0.000 0.053 307 L C 1.461 178.375 176.870 0.073 0.000 2.911 307 L CA 1.953 56.830 54.840 0.060 0.000 1.597 307 L CB -1.676 40.427 42.059 0.074 0.000 2.854 307 L HN 0.681 nan 8.230 nan 0.000 0.903 308 G N -0.137 108.726 108.800 0.106 0.000 4.864 308 G HA2 0.467 4.401 3.960 -0.044 0.000 0.280 308 G HA3 0.467 4.401 3.960 -0.044 0.000 0.280 308 G C -0.150 174.775 174.900 0.042 0.000 1.239 308 G CA 0.543 45.675 45.100 0.053 0.000 0.951 308 G HN 0.736 nan 8.290 nan 0.000 0.583 309 D N -0.503 119.998 120.400 0.168 0.000 2.369 309 D HA 0.020 4.634 4.640 -0.044 0.000 0.211 309 D C 1.930 178.440 176.300 0.350 0.000 1.077 309 D CA -0.565 53.654 54.000 0.365 0.000 0.842 309 D CB 0.358 41.471 40.800 0.522 0.000 0.947 309 D HN 0.188 nan 8.370 nan 0.000 0.509 310 L N 1.390 122.717 121.223 0.173 0.000 2.079 310 L HA -0.108 4.206 4.340 -0.044 0.000 0.210 310 L C 2.251 179.142 176.870 0.035 0.000 1.081 310 L CA 1.892 56.807 54.840 0.125 0.000 0.752 310 L CB -0.542 41.564 42.059 0.078 0.000 0.896 310 L HN 0.140 nan 8.230 nan 0.000 0.433 311 R N -2.230 118.220 120.500 -0.084 0.000 2.148 311 R HA -0.158 4.156 4.340 -0.044 0.000 0.223 311 R C 1.825 178.007 176.300 -0.197 0.000 1.088 311 R CA 1.612 57.595 56.100 -0.195 0.000 0.985 311 R CB -0.775 29.342 30.300 -0.306 0.000 0.880 311 R HN 0.373 nan 8.270 nan 0.000 0.451 312 Y N 0.265 120.597 120.300 0.053 0.000 2.337 312 Y HA 0.029 4.552 4.550 -0.044 0.000 0.293 312 Y C 1.923 177.631 175.900 -0.319 0.000 1.123 312 Y CA 0.449 58.529 58.100 -0.034 0.000 1.201 312 Y CB -0.433 38.121 38.460 0.155 0.000 1.011 312 Y HN 0.094 nan 8.280 nan 0.000 0.545 313 L N 0.304 121.393 121.223 -0.223 0.000 2.017 313 L HA -0.134 4.180 4.340 -0.044 0.000 0.208 313 L C 2.290 179.049 176.870 -0.185 0.000 1.073 313 L CA 1.711 56.306 54.840 -0.409 0.000 0.745 313 L CB -0.508 41.495 42.059 -0.094 0.000 0.894 313 L HN -0.058 nan 8.230 nan 0.000 0.432 314 R N 0.330 120.781 120.500 -0.082 0.000 2.083 314 R HA -0.164 4.150 4.340 -0.044 0.000 0.237 314 R C 2.215 178.480 176.300 -0.059 0.000 1.137 314 R CA 1.821 57.888 56.100 -0.055 0.000 0.951 314 R CB -0.800 29.479 30.300 -0.035 0.000 0.851 314 R HN 0.583 nan 8.270 nan 0.000 0.434 315 E N 0.319 120.488 120.200 -0.051 0.000 2.097 315 E HA -0.261 4.063 4.350 -0.044 0.000 0.196 315 E C 2.082 178.651 176.600 -0.052 0.000 1.000 315 E CA 1.393 57.775 56.400 -0.030 0.000 0.804 315 E CB -0.026 29.685 29.700 0.018 0.000 0.740 315 E HN 0.185 nan 8.360 nan 0.000 0.454 316 Q N 0.309 120.048 119.800 -0.101 0.000 2.020 316 Q HA -0.138 4.176 4.340 -0.044 0.000 0.202 316 Q C 2.243 178.186 176.000 -0.096 0.000 0.982 316 Q CA 1.532 57.261 55.803 -0.124 0.000 0.838 316 Q CB -0.251 28.347 28.738 -0.233 0.000 0.899 316 Q HN 0.306 nan 8.270 nan 0.000 0.423 317 V N -0.308 119.549 119.914 -0.095 0.000 2.515 317 V HA -0.151 3.942 4.120 -0.044 0.000 0.250 317 V C 1.912 177.977 176.094 -0.048 0.000 1.058 317 V CA 1.976 64.237 62.300 -0.064 0.000 1.064 317 V CB -0.946 30.846 31.823 -0.052 0.000 0.675 317 V HN 0.396 nan 8.190 nan 0.000 0.461 318 A N 0.519 123.312 122.820 -0.044 0.000 1.873 318 A HA -0.271 4.023 4.320 -0.044 0.000 0.218 318 A C 2.314 179.880 177.584 -0.030 0.000 1.193 318 A CA 2.469 54.486 52.037 -0.033 0.000 0.629 318 A CB -0.740 18.243 19.000 -0.028 0.000 0.826 318 A HN 0.638 nan 8.150 nan 0.000 0.447 319 K N -1.151 119.230 120.400 -0.032 0.000 2.147 319 K HA -0.146 4.147 4.320 -0.044 0.000 0.205 319 K C 2.377 178.959 176.600 -0.030 0.000 1.049 319 K CA 1.454 57.724 56.287 -0.028 0.000 0.936 319 K CB -0.142 32.342 32.500 -0.028 0.000 0.722 319 K HN 0.520 nan 8.250 nan 0.000 0.446 320 R N 0.771 121.249 120.500 -0.036 0.000 2.075 320 R HA -0.052 4.261 4.340 -0.044 0.000 0.226 320 R C 1.928 178.209 176.300 -0.030 0.000 1.114 320 R CA 0.828 56.907 56.100 -0.035 0.000 0.972 320 R CB 0.086 30.361 30.300 -0.042 0.000 0.869 320 R HN -0.065 nan 8.270 nan 0.000 0.437 321 V N 0.091 119.987 119.914 -0.031 0.000 2.871 321 V HA 0.117 4.210 4.120 -0.044 0.000 0.256 321 V C 1.036 177.116 176.094 -0.024 0.000 1.082 321 V CA 1.187 63.470 62.300 -0.028 0.000 1.105 321 V CB 0.147 31.952 31.823 -0.030 0.000 0.713 321 V HN 0.734 nan 8.190 nan 0.000 0.473 322 G N 1.289 110.075 108.800 -0.023 0.000 2.255 322 G HA2 -0.191 3.742 3.960 -0.044 0.000 0.239 322 G HA3 -0.191 3.742 3.960 -0.044 0.000 0.239 322 G C -0.167 174.723 174.900 -0.017 0.000 1.083 322 G CA 0.340 45.429 45.100 -0.019 0.000 0.826 322 G HN 0.728 nan 8.290 nan 0.000 0.493 323 I N -3.539 117.020 120.570 -0.019 0.000 3.343 323 I HA 0.919 5.063 4.170 -0.044 0.000 0.315 323 I C 0.468 176.575 176.117 -0.016 0.000 1.153 323 I CA -0.823 60.467 61.300 -0.016 0.000 0.952 323 I CB 1.710 39.700 38.000 -0.017 0.000 1.287 323 I HN 0.240 nan 8.210 nan 0.000 0.472 324 T N -0.382 114.163 114.554 -0.014 0.000 2.899 324 T HA 0.299 4.623 4.350 -0.044 0.000 0.284 324 T C 1.227 175.917 174.700 -0.015 0.000 1.004 324 T CA -0.160 61.932 62.100 -0.013 0.000 1.043 324 T CB 1.632 70.493 68.868 -0.011 0.000 1.013 324 T HN 0.880 nan 8.240 nan 0.000 0.518 325 V N -0.858 119.046 119.914 -0.016 0.000 2.720 325 V HA -0.076 4.018 4.120 -0.044 0.000 0.256 325 V C 2.037 178.121 176.094 -0.016 0.000 1.082 325 V CA 1.488 63.777 62.300 -0.019 0.000 1.101 325 V CB -1.259 30.551 31.823 -0.022 0.000 0.693 325 V HN 0.815 nan 8.190 nan 0.000 0.479 326 E N 1.151 121.343 120.200 -0.013 0.000 2.046 326 E HA -0.119 4.205 4.350 -0.044 0.000 0.190 326 E C 2.167 178.761 176.600 -0.010 0.000 0.982 326 E CA 1.442 57.835 56.400 -0.011 0.000 0.800 326 E CB -0.416 29.278 29.700 -0.010 0.000 0.756 326 E HN 0.753 nan 8.360 nan 0.000 0.449 327 E N 0.576 120.770 120.200 -0.011 0.000 2.152 327 E HA -0.117 4.207 4.350 -0.044 0.000 0.192 327 E C 1.810 178.403 176.600 -0.011 0.000 0.983 327 E CA 0.416 56.811 56.400 -0.010 0.000 0.818 327 E CB -0.245 29.449 29.700 -0.010 0.000 0.758 327 E HN 0.218 nan 8.360 nan 0.000 0.467 328 L N 1.200 122.414 121.223 -0.014 0.000 1.970 328 L HA -0.146 4.168 4.340 -0.044 0.000 0.212 328 L C 2.341 179.204 176.870 -0.011 0.000 1.071 328 L CA 2.598 57.428 54.840 -0.017 0.000 0.751 328 L CB -1.047 41.000 42.059 -0.020 0.000 0.889 328 L HN 0.226 nan 8.230 nan 0.000 0.432 329 E N -0.132 120.062 120.200 -0.010 0.000 2.118 329 E HA -0.305 4.019 4.350 -0.044 0.000 0.195 329 E C 2.188 178.786 176.600 -0.004 0.000 0.992 329 E CA 1.715 58.110 56.400 -0.007 0.000 0.804 329 E CB -0.263 29.432 29.700 -0.009 0.000 0.741 329 E HN 0.372 nan 8.360 nan 0.000 0.458 330 K N -0.061 120.336 120.400 -0.004 0.000 2.063 330 K HA -0.013 4.280 4.320 -0.044 0.000 0.208 330 K C 1.867 178.474 176.600 0.011 0.000 1.048 330 K CA 1.630 57.917 56.287 -0.000 0.000 0.928 330 K CB -0.630 31.869 32.500 -0.002 0.000 0.713 330 K HN 0.231 nan 8.250 nan 0.000 0.442 331 A N -0.005 122.821 122.820 0.011 0.000 1.903 331 A HA 0.016 4.310 4.320 -0.044 0.000 0.213 331 A C 2.002 179.617 177.584 0.051 0.000 1.185 331 A CA 1.357 53.408 52.037 0.025 0.000 0.628 331 A CB -0.539 18.457 19.000 -0.006 0.000 0.830 331 A HN 0.355 nan 8.150 nan 0.000 0.446 332 I N -2.056 118.528 120.570 0.022 0.000 2.480 332 I HA 0.120 4.264 4.170 -0.044 0.000 0.251 332 I C 2.105 178.265 176.117 0.072 0.000 1.124 332 I CA 1.337 62.660 61.300 0.038 0.000 1.444 332 I CB -0.655 37.350 38.000 0.008 0.000 1.098 332 I HN 0.109 nan 8.210 nan 0.000 0.428 333 R N 2.021 122.534 120.500 0.023 0.000 2.112 333 R HA -0.137 4.176 4.340 -0.044 0.000 0.242 333 R C -0.437 175.826 176.300 -0.061 0.000 1.137 333 R CA 2.328 58.414 56.100 -0.023 0.000 0.944 333 R CB -2.124 28.158 30.300 -0.031 0.000 0.857 333 R HN 0.279 nan 8.270 nan 0.000 0.435 334 P HA -0.149 nan 4.420 nan 0.000 0.216 334 P C 0.699 177.826 177.300 -0.288 0.000 1.150 334 P CA 1.403 64.409 63.100 -0.157 0.000 0.843 334 P CB -0.174 31.437 31.700 -0.149 0.000 0.787 335 Y N 0.160 120.284 120.300 -0.293 0.000 2.163 335 Y HA -0.160 4.364 4.550 -0.044 0.000 0.288 335 Y C 2.436 177.974 175.900 -0.602 0.000 1.136 335 Y CA 1.341 59.120 58.100 -0.535 0.000 1.147 335 Y CB -1.051 37.161 38.460 -0.414 0.000 0.987 335 Y HN 0.045 nan 8.280 nan 0.000 0.509 336 E N 0.179 120.297 120.200 -0.138 0.000 2.049 336 E HA -0.236 4.088 4.350 -0.044 0.000 0.198 336 E C 2.155 178.584 176.600 -0.285 0.000 1.007 336 E CA 1.693 58.019 56.400 -0.123 0.000 0.809 336 E CB -0.471 29.182 29.700 -0.078 0.000 0.749 336 E HN 0.411 nan 8.360 nan 0.000 0.450 337 L N 0.554 121.568 121.223 -0.347 0.000 1.989 337 L HA -0.237 4.076 4.340 -0.044 0.000 0.211 337 L C 2.558 179.224 176.870 -0.340 0.000 1.071 337 L CA 1.193 55.768 54.840 -0.442 0.000 0.749 337 L CB -0.510 41.346 42.059 -0.338 0.000 0.890 337 L HN 0.168 nan 8.230 nan 0.000 0.431 338 I N -1.635 118.715 120.570 -0.366 0.000 2.286 338 I HA -0.312 3.832 4.170 -0.044 0.000 0.248 338 I C 2.512 178.450 176.117 -0.298 0.000 1.115 338 I CA 1.246 62.341 61.300 -0.342 0.000 1.392 338 I CB -0.323 37.417 38.000 -0.434 0.000 1.065 338 I HN 0.146 nan 8.210 nan 0.000 0.418 339 Y N 0.770 120.861 120.300 -0.349 0.000 2.145 339 Y HA -0.206 4.318 4.550 -0.044 0.000 0.286 339 Y C 2.667 178.201 175.900 -0.610 0.000 1.145 339 Y CA 0.803 58.563 58.100 -0.567 0.000 1.148 339 Y CB -1.310 36.625 38.460 -0.874 0.000 0.981 339 Y HN 0.116 nan 8.280 nan 0.000 0.507 340 A N 0.201 122.791 122.820 -0.383 0.000 1.883 340 A HA -0.179 4.114 4.320 -0.044 0.000 0.217 340 A C 2.332 179.569 177.584 -0.580 0.000 1.186 340 A CA 1.890 53.593 52.037 -0.557 0.000 0.624 340 A CB -1.176 17.597 19.000 -0.379 0.000 0.822 340 A HN 0.439 nan 8.150 nan 0.000 0.444 341 I N -0.212 120.210 120.570 -0.246 0.000 2.163 341 I HA -0.308 3.836 4.170 -0.044 0.000 0.243 341 I C 2.984 179.069 176.117 -0.053 0.000 1.085 341 I CA 1.120 62.356 61.300 -0.107 0.000 1.347 341 I CB -0.341 37.630 38.000 -0.048 0.000 1.044 341 I HN 0.367 nan 8.210 nan 0.000 0.408 342 A N 0.364 123.145 122.820 -0.064 0.000 1.865 342 A HA -0.318 3.976 4.320 -0.044 0.000 0.217 342 A C 2.191 179.849 177.584 0.123 0.000 1.191 342 A CA 2.268 54.336 52.037 0.052 0.000 0.623 342 A CB -0.920 18.075 19.000 -0.008 0.000 0.826 342 A HN 0.561 nan 8.150 nan 0.000 0.444 343 D N -1.204 119.193 120.400 -0.004 0.000 2.087 343 D HA -0.247 4.367 4.640 -0.044 0.000 0.192 343 D C 1.668 178.044 176.300 0.125 0.000 0.993 343 D CA 1.773 55.825 54.000 0.087 0.000 0.828 343 D CB -0.364 40.439 40.800 0.004 0.000 0.968 343 D HN 0.549 nan 8.370 nan 0.000 0.448 344 H N 0.210 119.268 119.070 -0.021 0.000 2.387 344 H HA -0.084 4.445 4.556 -0.044 0.000 0.299 344 H C 2.404 177.696 175.328 -0.059 0.000 1.099 344 H CA 1.956 57.972 56.048 -0.053 0.000 1.315 344 H CB -1.108 28.613 29.762 -0.069 0.000 1.380 344 H HN 0.404 nan 8.280 nan 0.000 0.513 345 T N -1.266 113.332 114.554 0.074 0.000 2.904 345 T HA -0.089 4.235 4.350 -0.044 0.000 0.267 345 T C 1.970 176.471 174.700 -0.331 0.000 1.059 345 T CA 1.186 63.280 62.100 -0.010 0.000 1.137 345 T CB 0.193 69.158 68.868 0.161 0.000 0.879 345 T HN 0.294 nan 8.240 nan 0.000 0.467 346 K N 1.604 121.647 120.400 -0.595 0.000 2.026 346 K HA 0.049 4.342 4.320 -0.044 0.000 0.208 346 K C 2.649 179.174 176.600 -0.125 0.000 1.048 346 K CA 1.170 57.053 56.287 -0.674 0.000 0.929 346 K CB -0.620 31.735 32.500 -0.241 0.000 0.713 346 K HN 0.365 nan 8.250 nan 0.000 0.439 347 A N 1.262 124.065 122.820 -0.027 0.000 1.940 347 A HA -0.135 4.158 4.320 -0.044 0.000 0.219 347 A C 2.101 179.702 177.584 0.027 0.000 1.176 347 A CA 1.322 53.376 52.037 0.029 0.000 0.631 347 A CB -0.599 18.399 19.000 -0.004 0.000 0.814 347 A HN 0.352 nan 8.150 nan 0.000 0.446 348 L N -0.729 120.476 121.223 -0.030 0.000 2.201 348 L HA -0.130 4.184 4.340 -0.044 0.000 0.212 348 L C 2.699 179.498 176.870 -0.118 0.000 1.105 348 L CA 1.488 56.299 54.840 -0.049 0.000 0.775 348 L CB -0.571 41.456 42.059 -0.054 0.000 0.913 348 L HN 0.371 nan 8.230 nan 0.000 0.440 349 T N -0.420 114.004 114.554 -0.216 0.000 2.701 349 T HA -0.154 4.170 4.350 -0.044 0.000 0.263 349 T C 1.599 175.992 174.700 -0.511 0.000 1.040 349 T CA 1.426 63.242 62.100 -0.472 0.000 1.147 349 T CB -0.348 68.066 68.868 -0.757 0.000 0.865 349 T HN 0.103 nan 8.240 nan 0.000 0.426 350 F N 1.175 120.926 119.950 -0.333 0.000 2.069 350 F HA -0.068 4.432 4.527 -0.044 0.000 0.298 350 F C 2.584 178.356 175.800 -0.046 0.000 1.113 350 F CA 1.251 59.199 58.000 -0.086 0.000 1.214 350 F CB -0.609 38.362 39.000 -0.048 0.000 0.978 350 F HN 0.058 nan 8.300 nan 0.000 0.474 351 M N -0.287 119.386 119.600 0.121 0.000 2.080 351 M HA -0.257 4.197 4.480 -0.044 0.000 0.260 351 M C 2.194 178.501 176.300 0.011 0.000 1.068 351 M CA 1.735 57.069 55.300 0.058 0.000 1.109 351 M CB -0.682 31.943 32.600 0.042 0.000 1.342 351 M HN 0.179 nan 8.290 nan 0.000 0.405 352 L N -0.636 120.564 121.223 -0.039 0.000 2.044 352 L HA -0.117 4.196 4.340 -0.044 0.000 0.205 352 L C 2.885 179.742 176.870 -0.022 0.000 1.075 352 L CA 1.080 55.882 54.840 -0.063 0.000 0.747 352 L CB -1.143 40.842 42.059 -0.123 0.000 0.903 352 L HN 0.305 nan 8.230 nan 0.000 0.435 353 A N 0.402 123.208 122.820 -0.022 0.000 1.892 353 A HA -0.255 4.038 4.320 -0.044 0.000 0.218 353 A C 1.753 179.419 177.584 0.137 0.000 1.188 353 A CA 2.300 54.391 52.037 0.090 0.000 0.631 353 A CB -0.591 18.534 19.000 0.208 0.000 0.822 353 A HN 0.412 nan 8.150 nan 0.000 0.447 354 D N -1.829 118.647 120.400 0.126 0.000 2.349 354 D HA 0.294 4.908 4.640 -0.044 0.000 0.224 354 D C 1.226 177.555 176.300 0.047 0.000 1.029 354 D CA 1.182 55.253 54.000 0.119 0.000 0.879 354 D CB 0.181 41.059 40.800 0.130 0.000 0.906 354 D HN 0.686 nan 8.370 nan 0.000 0.528 355 G N -0.330 108.499 108.800 0.047 0.000 2.173 355 G HA2 -0.203 3.731 3.960 -0.044 0.000 0.142 355 G HA3 -0.203 3.731 3.960 -0.044 0.000 0.142 355 G C 0.080 174.986 174.900 0.010 0.000 1.019 355 G CA -0.291 44.839 45.100 0.050 0.000 0.699 355 G HN 0.190 nan 8.290 nan 0.000 0.495 356 V N 1.646 121.553 119.914 -0.012 0.000 2.439 356 V HA 0.396 4.490 4.120 -0.044 0.000 0.271 356 V C 0.815 176.906 176.094 -0.004 0.000 1.040 356 V CA -0.256 62.032 62.300 -0.021 0.000 1.002 356 V CB 1.472 33.278 31.823 -0.029 0.000 1.000 356 V HN 0.239 nan 8.190 nan 0.000 0.477 357 V N 8.391 128.323 119.914 0.031 0.000 2.350 357 V HA 0.284 4.378 4.120 -0.044 0.000 0.276 357 V C -2.076 174.030 176.094 0.021 0.000 1.028 357 V CA -1.990 60.336 62.300 0.044 0.000 0.860 357 V CB 1.260 33.168 31.823 0.142 0.000 0.990 357 V HN 0.735 nan 8.190 nan 0.000 0.453 358 P HA 0.134 nan 4.420 nan 0.000 0.264 358 P C 0.075 177.380 177.300 0.009 0.000 1.179 358 P CA 0.690 63.778 63.100 -0.020 0.000 0.763 358 P CB 0.572 32.245 31.700 -0.046 0.000 0.806 359 S N 1.686 117.393 115.700 0.012 0.000 2.682 359 S HA 0.279 4.722 4.470 -0.044 0.000 0.280 359 S C -0.322 174.319 174.600 0.068 0.000 1.207 359 S CA -0.723 57.499 58.200 0.037 0.000 0.987 359 S CB 0.374 63.604 63.200 0.050 0.000 1.263 359 S HN 0.272 nan 8.310 nan 0.000 0.494 360 N N 0.530 119.289 118.700 0.099 0.000 2.204 360 N HA 0.297 5.010 4.740 -0.044 0.000 0.219 360 N C -0.213 175.405 175.510 0.180 0.000 1.151 360 N CA 0.665 53.829 53.050 0.191 0.000 0.867 360 N CB 1.229 39.784 38.487 0.114 0.000 1.043 360 N HN 0.803 nan 8.380 nan 0.000 0.516 361 V N -2.607 117.375 119.914 0.112 0.000 2.709 361 V HA 0.564 4.658 4.120 -0.044 0.000 0.308 361 V C 0.416 176.520 176.094 0.016 0.000 1.062 361 V CA -1.045 61.267 62.300 0.019 0.000 0.901 361 V CB 2.304 34.126 31.823 -0.002 0.000 1.003 361 V HN 0.065 nan 8.190 nan 0.000 0.425 362 K N 2.123 122.487 120.400 -0.059 0.000 1.939 362 K HA -0.314 3.980 4.320 -0.044 0.000 0.165 362 K C 1.474 178.050 176.600 -0.040 0.000 1.508 362 K CA 1.309 57.552 56.287 -0.073 0.000 0.525 362 K CB -1.711 30.747 32.500 -0.070 0.000 0.615 362 K HN 1.389 nan 8.250 nan 0.000 0.888 363 A N 0.937 123.719 122.820 -0.063 0.000 2.070 363 A HA -0.038 4.255 4.320 -0.044 0.000 0.220 363 A C 2.226 179.791 177.584 -0.031 0.000 1.159 363 A CA 2.475 54.473 52.037 -0.065 0.000 0.656 363 A CB -0.999 17.955 19.000 -0.077 0.000 0.800 363 A HN 0.721 nan 8.150 nan 0.000 0.453 364 G N -1.324 107.476 108.800 -0.001 0.000 2.440 364 G HA2 -0.311 3.623 3.960 -0.044 0.000 0.218 364 G HA3 -0.311 3.623 3.960 -0.044 0.000 0.218 364 G C 1.518 176.432 174.900 0.024 0.000 1.154 364 G CA 1.293 46.402 45.100 0.014 0.000 0.767 364 G HN 0.633 nan 8.290 nan 0.000 0.552 365 Y N 1.144 121.398 120.300 -0.076 0.000 2.242 365 Y HA 0.021 4.544 4.550 -0.044 0.000 0.291 365 Y C 2.529 178.361 175.900 -0.114 0.000 1.137 365 Y CA 1.231 59.291 58.100 -0.066 0.000 1.181 365 Y CB -0.128 38.292 38.460 -0.067 0.000 0.989 365 Y HN 0.120 nan 8.280 nan 0.000 0.527 366 L N -0.420 120.775 121.223 -0.047 0.000 2.056 366 L HA -0.161 4.153 4.340 -0.044 0.000 0.207 366 L C 2.819 179.590 176.870 -0.165 0.000 1.078 366 L CA 1.034 55.685 54.840 -0.314 0.000 0.749 366 L CB -1.100 40.582 42.059 -0.628 0.000 0.901 366 L HN 0.295 nan 8.230 nan 0.000 0.433 367 A N 0.424 123.195 122.820 -0.083 0.000 1.883 367 A HA -0.271 4.022 4.320 -0.044 0.000 0.217 367 A C 2.444 179.974 177.584 -0.090 0.000 1.186 367 A CA 2.026 54.035 52.037 -0.047 0.000 0.624 367 A CB -0.634 18.340 19.000 -0.043 0.000 0.822 367 A HN 0.360 nan 8.150 nan 0.000 0.444 368 R N -0.763 119.660 120.500 -0.128 0.000 2.083 368 R HA -0.155 4.159 4.340 -0.044 0.000 0.237 368 R C 2.083 178.278 176.300 -0.174 0.000 1.137 368 R CA 1.758 57.763 56.100 -0.160 0.000 0.951 368 R CB -0.486 29.713 30.300 -0.168 0.000 0.851 368 R HN 0.444 nan 8.270 nan 0.000 0.434 369 L N 1.133 122.231 121.223 -0.210 0.000 1.990 369 L HA -0.182 4.132 4.340 -0.044 0.000 0.213 369 L C 2.028 178.819 176.870 -0.133 0.000 1.072 369 L CA 1.787 56.529 54.840 -0.164 0.000 0.755 369 L CB -0.544 41.353 42.059 -0.271 0.000 0.889 369 L HN 0.279 nan 8.230 nan 0.000 0.432 370 L N -0.978 120.188 121.223 -0.096 0.000 2.042 370 L HA -0.272 4.042 4.340 -0.044 0.000 0.210 370 L C 2.576 179.380 176.870 -0.110 0.000 1.076 370 L CA 1.739 56.505 54.840 -0.124 0.000 0.749 370 L CB -0.575 41.452 42.059 -0.055 0.000 0.893 370 L HN 0.341 nan 8.230 nan 0.000 0.432 371 I N -0.429 120.072 120.570 -0.116 0.000 2.142 371 I HA -0.303 3.840 4.170 -0.044 0.000 0.240 371 I C 2.789 178.796 176.117 -0.182 0.000 1.078 371 I CA 1.404 62.628 61.300 -0.127 0.000 1.343 371 I CB -0.256 37.663 38.000 -0.134 0.000 1.046 371 I HN 0.181 nan 8.210 nan 0.000 0.405 372 R N 0.593 120.925 120.500 -0.280 0.000 2.066 372 R HA -0.170 4.144 4.340 -0.044 0.000 0.232 372 R C 2.346 178.553 176.300 -0.155 0.000 1.131 372 R CA 1.275 57.140 56.100 -0.391 0.000 0.955 372 R CB -0.323 29.647 30.300 -0.551 0.000 0.851 372 R HN 0.233 nan 8.270 nan 0.000 0.432 373 K N 0.395 120.694 120.400 -0.168 0.000 2.044 373 K HA -0.161 4.133 4.320 -0.044 0.000 0.210 373 K C 2.049 178.417 176.600 -0.387 0.000 1.049 373 K CA 2.012 58.102 56.287 -0.327 0.000 0.927 373 K CB 0.002 32.191 32.500 -0.517 0.000 0.713 373 K HN 0.065 nan 8.250 nan 0.000 0.443 374 S N 0.923 116.513 115.700 -0.184 0.000 2.356 374 S HA -0.112 4.332 4.470 -0.044 0.000 0.223 374 S C 1.919 176.491 174.600 -0.046 0.000 1.032 374 S CA 1.350 59.497 58.200 -0.090 0.000 1.005 374 S CB -0.261 62.945 63.200 0.010 0.000 0.867 374 S HN 0.263 nan 8.310 nan 0.000 0.449 375 I N 1.500 122.057 120.570 -0.023 0.000 2.194 375 I HA -0.243 3.901 4.170 -0.044 0.000 0.246 375 I C 2.546 178.708 176.117 0.077 0.000 1.093 375 I CA 1.135 62.466 61.300 0.050 0.000 1.355 375 I CB -0.282 37.788 38.000 0.115 0.000 1.046 375 I HN 0.150 nan 8.210 nan 0.000 0.413 376 R N -0.063 120.477 120.500 0.066 0.000 2.115 376 R HA -0.135 4.179 4.340 -0.044 0.000 0.230 376 R C 2.167 178.552 176.300 0.141 0.000 1.111 376 R CA 1.226 57.385 56.100 0.098 0.000 0.976 376 R CB -1.178 29.191 30.300 0.115 0.000 0.870 376 R HN 0.470 nan 8.270 nan 0.000 0.445 377 H N 1.141 120.224 119.070 0.021 0.000 2.321 377 H HA -0.012 4.518 4.556 -0.044 0.000 0.300 377 H C 2.260 177.570 175.328 -0.030 0.000 1.087 377 H CA 1.073 57.109 56.048 -0.020 0.000 1.319 377 H CB -0.513 29.213 29.762 -0.060 0.000 1.379 377 H HN 0.069 nan 8.280 nan 0.000 0.501 378 L N 0.081 121.368 121.223 0.107 0.000 2.081 378 L HA -0.209 4.105 4.340 -0.044 0.000 0.212 378 L C 2.740 179.629 176.870 0.031 0.000 1.080 378 L CA 1.529 56.394 54.840 0.041 0.000 0.754 378 L CB -0.309 41.768 42.059 0.031 0.000 0.893 378 L HN 0.180 nan 8.230 nan 0.000 0.433 379 R N 0.171 120.701 120.500 0.051 0.000 2.115 379 R HA -0.172 4.142 4.340 -0.044 0.000 0.226 379 R C 2.187 178.505 176.300 0.030 0.000 1.100 379 R CA 1.247 57.369 56.100 0.037 0.000 0.980 379 R CB -0.038 30.290 30.300 0.046 0.000 0.875 379 R HN 0.340 nan 8.270 nan 0.000 0.445 380 E N 0.364 120.593 120.200 0.048 0.000 2.204 380 E HA -0.139 4.184 4.350 -0.044 0.000 0.194 380 E C 1.800 178.394 176.600 -0.010 0.000 0.989 380 E CA 0.641 57.057 56.400 0.027 0.000 0.824 380 E CB 0.064 29.793 29.700 0.048 0.000 0.756 380 E HN 0.388 nan 8.360 nan 0.000 0.477 381 L N -0.410 120.800 121.223 -0.022 0.000 2.362 381 L HA -0.028 4.285 4.340 -0.044 0.000 0.219 381 L C 1.450 178.295 176.870 -0.042 0.000 1.134 381 L CA 0.720 55.528 54.840 -0.053 0.000 0.807 381 L CB -0.208 41.808 42.059 -0.071 0.000 0.927 381 L HN 0.426 nan 8.230 nan 0.000 0.447 382 G N 0.636 109.422 108.800 -0.023 0.000 2.176 382 G HA2 -0.298 3.636 3.960 -0.044 0.000 0.252 382 G HA3 -0.298 3.636 3.960 -0.044 0.000 0.252 382 G C 0.109 174.996 174.900 -0.022 0.000 1.024 382 G CA -0.117 44.971 45.100 -0.020 0.000 0.755 382 G HN 0.246 nan 8.290 nan 0.000 0.507 383 L N 0.607 121.816 121.223 -0.022 0.000 2.281 383 L HA 0.340 4.653 4.340 -0.044 0.000 0.285 383 L C 0.524 177.388 176.870 -0.010 0.000 1.074 383 L CA -0.319 54.507 54.840 -0.022 0.000 0.817 383 L CB 0.799 42.839 42.059 -0.032 0.000 1.168 383 L HN 0.206 nan 8.230 nan 0.000 0.434 384 E N 4.408 124.601 120.200 -0.010 0.000 2.026 384 E HA 0.240 4.564 4.350 -0.044 0.000 0.253 384 E C -1.054 175.544 176.600 -0.004 0.000 1.056 384 E CA -0.135 56.263 56.400 -0.004 0.000 0.927 384 E CB 1.532 31.229 29.700 -0.005 0.000 1.172 384 E HN 0.191 nan 8.360 nan 0.000 0.445 385 V N 3.970 123.883 119.914 -0.001 0.000 2.655 385 V HA 0.313 4.406 4.120 -0.044 0.000 0.301 385 V C -2.520 173.578 176.094 0.007 0.000 1.082 385 V CA -2.303 59.997 62.300 -0.000 0.000 0.899 385 V CB 2.188 34.007 31.823 -0.007 0.000 1.014 385 V HN 0.369 nan 8.190 nan 0.000 0.429 386 P HA 0.083 nan 4.420 nan 0.000 0.266 386 P C 0.721 178.028 177.300 0.012 0.000 1.195 386 P CA -0.096 63.011 63.100 0.013 0.000 0.768 386 P CB 1.031 32.738 31.700 0.011 0.000 0.838 387 L N 3.624 124.856 121.223 0.015 0.000 2.081 387 L HA -0.243 4.071 4.340 -0.044 0.000 0.212 387 L C 2.466 179.343 176.870 0.012 0.000 1.080 387 L CA 2.621 57.469 54.840 0.014 0.000 0.754 387 L CB -1.417 40.647 42.059 0.009 0.000 0.893 387 L HN 0.516 nan 8.230 nan 0.000 0.433 388 S N -1.527 114.175 115.700 0.003 0.000 2.402 388 S HA -0.266 4.178 4.470 -0.044 0.000 0.233 388 S C 1.802 176.407 174.600 0.009 0.000 1.030 388 S CA 1.452 59.651 58.200 -0.002 0.000 1.003 388 S CB -0.745 62.449 63.200 -0.010 0.000 0.813 388 S HN 0.646 nan 8.310 nan 0.000 0.477 389 E N 0.786 120.992 120.200 0.010 0.000 2.051 389 E HA -0.092 4.231 4.350 -0.044 0.000 0.192 389 E C 2.065 178.677 176.600 0.020 0.000 0.991 389 E CA 1.369 57.776 56.400 0.012 0.000 0.799 389 E CB -0.264 29.441 29.700 0.008 0.000 0.748 389 E HN 0.481 nan 8.360 nan 0.000 0.449 390 I N 0.884 121.469 120.570 0.024 0.000 2.208 390 I HA -0.220 3.924 4.170 -0.044 0.000 0.245 390 I C 2.492 178.669 176.117 0.101 0.000 1.097 390 I CA 1.009 62.331 61.300 0.037 0.000 1.363 390 I CB -1.412 36.613 38.000 0.041 0.000 1.051 390 I HN -0.000 nan 8.210 nan 0.000 0.413 391 V N 1.695 121.674 119.914 0.109 0.000 2.332 391 V HA -0.297 3.797 4.120 -0.044 0.000 0.248 391 V C 2.921 179.084 176.094 0.115 0.000 1.055 391 V CA 1.872 64.258 62.300 0.142 0.000 1.038 391 V CB -1.277 30.562 31.823 0.027 0.000 0.651 391 V HN 0.485 nan 8.190 nan 0.000 0.450 392 A N -0.078 122.776 122.820 0.056 0.000 1.917 392 A HA -0.230 4.064 4.320 -0.044 0.000 0.219 392 A C 2.217 179.842 177.584 0.069 0.000 1.182 392 A CA 2.156 54.220 52.037 0.045 0.000 0.633 392 A CB -0.611 18.404 19.000 0.025 0.000 0.819 392 A HN 0.531 nan 8.150 nan 0.000 0.448 393 L N -1.381 119.875 121.223 0.055 0.000 1.990 393 L HA -0.264 4.050 4.340 -0.044 0.000 0.213 393 L C 2.713 179.657 176.870 0.124 0.000 1.072 393 L CA 1.720 56.600 54.840 0.066 0.000 0.755 393 L CB -1.062 41.002 42.059 0.009 0.000 0.889 393 L HN 0.499 nan 8.230 nan 0.000 0.432 394 H N -0.004 119.222 119.070 0.260 0.000 2.319 394 H HA -0.174 4.355 4.556 -0.044 0.000 0.297 394 H C 2.425 177.845 175.328 0.154 0.000 1.097 394 H CA 1.926 58.131 56.048 0.261 0.000 1.285 394 H CB -0.292 29.554 29.762 0.141 0.000 1.368 394 H HN 0.376 nan 8.280 nan 0.000 0.495 395 I N 0.740 121.430 120.570 0.200 0.000 2.286 395 I HA -0.254 3.890 4.170 -0.044 0.000 0.248 395 I C 2.731 179.018 176.117 0.283 0.000 1.115 395 I CA 1.213 62.631 61.300 0.197 0.000 1.392 395 I CB -0.194 37.851 38.000 0.074 0.000 1.065 395 I HN 0.154 nan 8.210 nan 0.000 0.418 396 K N 1.017 121.537 120.400 0.200 0.000 2.057 396 K HA -0.246 4.048 4.320 -0.044 0.000 0.206 396 K C 2.075 178.798 176.600 0.204 0.000 1.050 396 K CA 1.755 58.176 56.287 0.223 0.000 0.935 396 K CB 0.059 32.631 32.500 0.120 0.000 0.715 396 K HN 0.150 nan 8.250 nan 0.000 0.439 397 E N 0.503 120.724 120.200 0.035 0.000 2.112 397 E HA -0.074 4.250 4.350 -0.044 0.000 0.190 397 E C 1.691 178.257 176.600 -0.056 0.000 0.979 397 E CA 0.975 57.265 56.400 -0.184 0.000 0.814 397 E CB 0.103 29.298 29.700 -0.842 0.000 0.762 397 E HN 0.349 nan 8.360 nan 0.000 0.460 398 L N 0.551 121.863 121.223 0.148 0.000 2.590 398 L HA 0.092 4.406 4.340 -0.044 0.000 0.227 398 L C 2.225 179.259 176.870 0.273 0.000 1.099 398 L CA 0.383 55.400 54.840 0.295 0.000 0.872 398 L CB -0.440 41.968 42.059 0.582 0.000 1.088 398 L HN 0.330 nan 8.230 nan 0.000 0.479 399 H N 1.692 120.885 119.070 0.206 0.000 2.421 399 H HA -0.156 4.373 4.556 -0.044 0.000 0.298 399 H C 1.697 177.032 175.328 0.012 0.000 1.087 399 H CA 1.457 57.578 56.048 0.122 0.000 1.330 399 H CB -0.256 29.591 29.762 0.143 0.000 1.388 399 H HN 0.450 nan 8.280 nan 0.000 0.526 400 K N 0.831 120.874 120.400 -0.596 0.000 2.032 400 K HA -0.210 4.084 4.320 -0.044 0.000 0.218 400 K C 2.256 178.702 176.600 -0.256 0.000 1.054 400 K CA 2.433 58.483 56.287 -0.395 0.000 0.941 400 K CB -0.764 31.550 32.500 -0.309 0.000 0.720 400 K HN 0.288 nan 8.250 nan 0.000 0.449 401 T N -1.317 113.065 114.554 -0.288 0.000 3.065 401 T HA 0.111 4.435 4.350 -0.044 0.000 0.252 401 T C -0.349 173.841 174.700 -0.850 0.000 1.099 401 T CA -0.382 61.422 62.100 -0.493 0.000 1.063 401 T CB 0.002 68.555 68.868 -0.524 0.000 0.948 401 T HN 0.232 nan 8.240 nan 0.000 0.506 402 F N 1.741 121.521 119.950 -0.282 0.000 2.660 402 F HA 0.430 4.931 4.527 -0.044 0.000 0.352 402 F C -1.921 173.633 175.800 -0.409 0.000 1.257 402 F CA -2.528 55.167 58.000 -0.508 0.000 1.200 402 F CB 1.683 39.947 39.000 -1.226 0.000 1.473 402 F HN -0.088 nan 8.300 nan 0.000 0.561 403 P HA -0.269 nan 4.420 nan 0.000 0.218 403 P C 1.460 178.802 177.300 0.070 0.000 1.146 403 P CA 1.654 64.778 63.100 0.041 0.000 0.820 403 P CB 0.206 31.926 31.700 0.033 0.000 0.778 404 E N -0.558 119.655 120.200 0.023 0.000 2.209 404 E HA -0.200 4.124 4.350 -0.044 0.000 0.196 404 E C 1.746 178.490 176.600 0.240 0.000 0.993 404 E CA 1.133 57.595 56.400 0.104 0.000 0.819 404 E CB -1.305 28.459 29.700 0.107 0.000 0.745 404 E HN 0.205 nan 8.360 nan 0.000 0.477 405 F N 1.781 121.767 119.950 0.060 0.000 2.171 405 F HA -0.014 4.486 4.527 -0.044 0.000 0.300 405 F C 2.395 178.208 175.800 0.021 0.000 1.090 405 F CA 0.518 58.528 58.000 0.017 0.000 1.293 405 F CB -0.787 38.224 39.000 0.020 0.000 1.013 405 F HN 0.041 nan 8.300 nan 0.000 0.486 406 K N 0.624 121.160 120.400 0.228 0.000 2.007 406 K HA -0.159 4.135 4.320 -0.044 0.000 0.206 406 K C 1.935 178.580 176.600 0.075 0.000 1.047 406 K CA 1.362 57.693 56.287 0.075 0.000 0.937 406 K CB -0.157 32.363 32.500 0.033 0.000 0.718 406 K HN 0.205 nan 8.250 nan 0.000 0.438 407 E N -0.119 120.142 120.200 0.101 0.000 2.130 407 E HA -0.166 4.158 4.350 -0.044 0.000 0.196 407 E C 1.786 178.442 176.600 0.093 0.000 0.998 407 E CA 1.371 57.825 56.400 0.090 0.000 0.806 407 E CB 0.084 29.841 29.700 0.095 0.000 0.738 407 E HN 0.222 nan 8.360 nan 0.000 0.459 408 M N -0.190 119.477 119.600 0.111 0.000 2.509 408 M HA 0.020 4.473 4.480 -0.044 0.000 0.250 408 M C 1.814 178.139 176.300 0.042 0.000 1.132 408 M CA 0.539 55.894 55.300 0.092 0.000 1.080 408 M CB -0.098 32.566 32.600 0.108 0.000 1.408 408 M HN 0.124 nan 8.290 nan 0.000 0.484 409 E N 1.484 121.708 120.200 0.040 0.000 2.136 409 E HA -0.289 4.034 4.350 -0.044 0.000 0.208 409 E C 1.029 177.620 176.600 -0.015 0.000 1.035 409 E CA 2.135 58.536 56.400 0.003 0.000 0.838 409 E CB 0.177 29.878 29.700 0.001 0.000 0.748 409 E HN 0.380 nan 8.360 nan 0.000 0.459 410 D N -0.161 120.242 120.400 0.005 0.000 2.144 410 D HA -0.125 4.488 4.640 -0.044 0.000 0.199 410 D C 2.016 178.303 176.300 -0.021 0.000 0.984 410 D CA 0.961 54.965 54.000 0.006 0.000 0.834 410 D CB -0.160 40.661 40.800 0.036 0.000 0.955 410 D HN 0.342 nan 8.370 nan 0.000 0.465 411 I N 0.456 121.005 120.570 -0.036 0.000 2.286 411 I HA -0.172 3.971 4.170 -0.044 0.000 0.245 411 I C 2.299 178.242 176.117 -0.289 0.000 1.104 411 I CA 0.509 61.715 61.300 -0.156 0.000 1.397 411 I CB -0.059 37.877 38.000 -0.106 0.000 1.072 411 I HN -0.066 nan 8.210 nan 0.000 0.417 412 I N 0.618 121.077 120.570 -0.184 0.000 2.151 412 I HA -0.335 3.809 4.170 -0.044 0.000 0.243 412 I C 2.407 178.420 176.117 -0.174 0.000 1.080 412 I CA 1.699 62.886 61.300 -0.188 0.000 1.339 412 I CB -0.411 37.504 38.000 -0.143 0.000 1.039 412 I HN 0.205 nan 8.210 nan 0.000 0.409 413 L N -0.021 121.131 121.223 -0.120 0.000 2.109 413 L HA -0.161 4.153 4.340 -0.044 0.000 0.207 413 L C 2.587 179.404 176.870 -0.088 0.000 1.086 413 L CA 1.116 55.906 54.840 -0.083 0.000 0.760 413 L CB -0.551 41.480 42.059 -0.046 0.000 0.910 413 L HN 0.293 nan 8.230 nan 0.000 0.437 414 E N 0.295 120.429 120.200 -0.110 0.000 2.077 414 E HA -0.236 4.088 4.350 -0.044 0.000 0.193 414 E C 2.335 178.838 176.600 -0.162 0.000 0.989 414 E CA 1.246 57.593 56.400 -0.087 0.000 0.800 414 E CB 0.025 29.709 29.700 -0.027 0.000 0.746 414 E HN 0.419 nan 8.360 nan 0.000 0.452 415 M N 0.322 119.708 119.600 -0.356 0.000 2.132 415 M HA -0.173 4.281 4.480 -0.044 0.000 0.263 415 M C 2.170 178.367 176.300 -0.171 0.000 1.065 415 M CA 0.991 56.068 55.300 -0.372 0.000 1.122 415 M CB -0.079 32.222 32.600 -0.498 0.000 1.365 415 M HN 0.178 nan 8.290 nan 0.000 0.411 416 I N 0.222 120.706 120.570 -0.142 0.000 2.163 416 I HA -0.263 3.881 4.170 -0.044 0.000 0.243 416 I C 2.257 178.345 176.117 -0.047 0.000 1.085 416 I CA 1.678 62.928 61.300 -0.084 0.000 1.347 416 I CB -1.450 36.509 38.000 -0.068 0.000 1.044 416 I HN 0.383 nan 8.210 nan 0.000 0.408 417 E N 0.820 120.997 120.200 -0.038 0.000 2.077 417 E HA -0.181 4.143 4.350 -0.044 0.000 0.193 417 E C 2.464 179.068 176.600 0.008 0.000 0.989 417 E CA 0.939 57.335 56.400 -0.007 0.000 0.800 417 E CB -0.219 29.480 29.700 -0.001 0.000 0.746 417 E HN 0.474 nan 8.360 nan 0.000 0.452 418 L N 1.240 122.468 121.223 0.009 0.000 2.012 418 L HA -0.221 4.093 4.340 -0.044 0.000 0.210 418 L C 2.551 179.436 176.870 0.026 0.000 1.073 418 L CA 1.188 56.046 54.840 0.030 0.000 0.748 418 L CB -0.337 41.758 42.059 0.059 0.000 0.891 418 L HN 0.082 nan 8.230 nan 0.000 0.431 419 E N -0.222 119.980 120.200 0.002 0.000 2.077 419 E HA -0.271 4.053 4.350 -0.044 0.000 0.193 419 E C 1.959 178.581 176.600 0.037 0.000 0.989 419 E CA 1.214 57.613 56.400 -0.001 0.000 0.800 419 E CB -0.082 29.588 29.700 -0.050 0.000 0.746 419 E HN 0.495 nan 8.360 nan 0.000 0.452 420 E N 1.079 121.300 120.200 0.035 0.000 2.051 420 E HA -0.216 4.107 4.350 -0.044 0.000 0.192 420 E C 2.128 178.787 176.600 0.098 0.000 0.991 420 E CA 1.600 58.046 56.400 0.078 0.000 0.799 420 E CB 0.026 29.755 29.700 0.048 0.000 0.748 420 E HN 0.073 nan 8.360 nan 0.000 0.449 421 K N 0.914 121.352 120.400 0.062 0.000 2.025 421 K HA -0.228 4.065 4.320 -0.044 0.000 0.207 421 K C 2.191 178.829 176.600 0.063 0.000 1.049 421 K CA 1.934 58.252 56.287 0.052 0.000 0.933 421 K CB -0.155 32.366 32.500 0.035 0.000 0.714 421 K HN 0.023 nan 8.250 nan 0.000 0.438 422 K N -0.610 119.834 120.400 0.073 0.000 2.283 422 K HA -0.188 4.105 4.320 -0.044 0.000 0.202 422 K C 1.961 178.644 176.600 0.138 0.000 1.048 422 K CA 1.265 57.599 56.287 0.078 0.000 0.948 422 K CB -0.471 32.066 32.500 0.061 0.000 0.742 422 K HN 0.334 nan 8.250 nan 0.000 0.458 423 Y N 0.705 121.001 120.300 -0.006 0.000 2.274 423 Y HA -0.179 4.345 4.550 -0.044 0.000 0.290 423 Y C 2.335 178.233 175.900 -0.003 0.000 1.145 423 Y CA 0.781 58.878 58.100 -0.005 0.000 1.203 423 Y CB 0.012 38.471 38.460 -0.000 0.000 0.984 423 Y HN 0.292 nan 8.280 nan 0.000 0.533 424 A N -0.140 122.674 122.820 -0.010 0.000 1.972 424 A HA -0.206 4.087 4.320 -0.044 0.000 0.219 424 A C 2.099 179.619 177.584 -0.107 0.000 1.169 424 A CA 1.800 53.776 52.037 -0.101 0.000 0.635 424 A CB -0.561 18.418 19.000 -0.035 0.000 0.810 424 A HN 0.592 nan 8.150 nan 0.000 0.446 425 E N -0.874 119.294 120.200 -0.052 0.000 2.021 425 E HA -0.112 4.212 4.350 -0.044 0.000 0.189 425 E C 1.975 178.543 176.600 -0.054 0.000 0.980 425 E CA 1.287 57.662 56.400 -0.042 0.000 0.803 425 E CB -0.166 29.528 29.700 -0.011 0.000 0.766 425 E HN 0.482 nan 8.360 nan 0.000 0.449 426 T N 1.738 116.276 114.554 -0.027 0.000 2.736 426 T HA -0.237 4.087 4.350 -0.044 0.000 0.265 426 T C 1.680 176.330 174.700 -0.084 0.000 1.031 426 T CA 1.395 63.487 62.100 -0.013 0.000 1.155 426 T CB -0.221 68.701 68.868 0.091 0.000 0.849 426 T HN 0.041 nan 8.240 nan 0.000 0.471 427 L N 0.539 121.636 121.223 -0.211 0.000 2.095 427 L HA 0.060 4.373 4.340 -0.044 0.000 0.204 427 L C 2.443 179.227 176.870 -0.144 0.000 1.080 427 L CA 1.571 56.266 54.840 -0.242 0.000 0.759 427 L CB -0.454 41.373 42.059 -0.386 0.000 0.914 427 L HN 0.244 nan 8.230 nan 0.000 0.439 428 R N -0.435 119.997 120.500 -0.113 0.000 2.062 428 R HA -0.132 4.182 4.340 -0.044 0.000 0.231 428 R C 2.208 178.467 176.300 -0.069 0.000 1.136 428 R CA 1.511 57.561 56.100 -0.084 0.000 0.948 428 R CB -0.737 29.524 30.300 -0.065 0.000 0.845 428 R HN 0.352 nan 8.270 nan 0.000 0.430 429 R N 1.130 121.600 120.500 -0.050 0.000 2.115 429 R HA 0.023 4.337 4.340 -0.044 0.000 0.230 429 R C 2.268 178.548 176.300 -0.033 0.000 1.111 429 R CA 1.589 57.670 56.100 -0.032 0.000 0.976 429 R CB -0.768 29.527 30.300 -0.008 0.000 0.870 429 R HN 0.266 nan 8.270 nan 0.000 0.445 430 G N 0.341 109.124 108.800 -0.029 0.000 2.418 430 G HA2 -0.240 3.693 3.960 -0.044 0.000 0.217 430 G HA3 -0.240 3.693 3.960 -0.044 0.000 0.217 430 G C 1.397 176.211 174.900 -0.142 0.000 1.158 430 G CA 0.789 45.868 45.100 -0.034 0.000 0.771 430 G HN 0.378 nan 8.290 nan 0.000 0.545 431 S N 0.768 116.391 115.700 -0.128 0.000 2.353 431 S HA -0.118 4.326 4.470 -0.044 0.000 0.222 431 S C 2.097 176.600 174.600 -0.161 0.000 1.035 431 S CA 1.478 59.588 58.200 -0.149 0.000 1.025 431 S CB -0.320 62.810 63.200 -0.116 0.000 0.902 431 S HN 0.371 nan 8.310 nan 0.000 0.440 432 D N 1.444 121.770 120.400 -0.124 0.000 2.104 432 D HA -0.079 4.535 4.640 -0.044 0.000 0.194 432 D C 1.940 178.154 176.300 -0.143 0.000 0.994 432 D CA 0.866 54.800 54.000 -0.111 0.000 0.830 432 D CB -0.479 40.276 40.800 -0.075 0.000 0.959 432 D HN 0.294 nan 8.370 nan 0.000 0.452 433 L N 0.689 121.808 121.223 -0.173 0.000 2.046 433 L HA -0.144 4.170 4.340 -0.044 0.000 0.208 433 L C 2.651 179.303 176.870 -0.363 0.000 1.077 433 L CA 0.964 55.667 54.840 -0.228 0.000 0.747 433 L CB -0.497 41.428 42.059 -0.223 0.000 0.896 433 L HN 0.056 nan 8.230 nan 0.000 0.432 434 V N -1.660 117.961 119.914 -0.488 0.000 2.283 434 V HA -0.232 3.861 4.120 -0.044 0.000 0.243 434 V C 2.614 178.475 176.094 -0.389 0.000 1.039 434 V CA 1.641 63.577 62.300 -0.607 0.000 1.016 434 V CB -0.893 30.405 31.823 -0.875 0.000 0.650 434 V HN 0.428 nan 8.190 nan 0.000 0.449 435 R N 0.535 120.865 120.500 -0.283 0.000 2.140 435 R HA -0.240 4.073 4.340 -0.044 0.000 0.250 435 R C 2.527 178.752 176.300 -0.126 0.000 1.150 435 R CA 2.456 58.449 56.100 -0.178 0.000 0.966 435 R CB -0.422 29.796 30.300 -0.137 0.000 0.869 435 R HN 0.550 nan 8.270 nan 0.000 0.445 436 R N 0.005 120.432 120.500 -0.122 0.000 2.092 436 R HA -0.115 4.199 4.340 -0.044 0.000 0.231 436 R C 2.146 178.416 176.300 -0.051 0.000 1.119 436 R CA 1.717 57.772 56.100 -0.074 0.000 0.970 436 R CB -0.126 30.137 30.300 -0.062 0.000 0.864 436 R HN 0.594 nan 8.270 nan 0.000 0.440 437 E N 0.429 120.590 120.200 -0.065 0.000 2.478 437 E HA -0.048 4.276 4.350 -0.044 0.000 0.194 437 E C 1.599 178.231 176.600 0.054 0.000 1.045 437 E CA 0.384 56.793 56.400 0.015 0.000 0.868 437 E CB 0.060 29.805 29.700 0.076 0.000 0.885 437 E HN 0.337 nan 8.360 nan 0.000 0.505 438 I N 1.682 122.246 120.570 -0.010 0.000 2.233 438 I HA -0.163 3.981 4.170 -0.044 0.000 0.243 438 I C 2.656 178.782 176.117 0.016 0.000 1.093 438 I CA 1.038 62.350 61.300 0.020 0.000 1.380 438 I CB -0.259 37.715 38.000 -0.043 0.000 1.067 438 I HN 0.207 nan 8.210 nan 0.000 0.413 439 A N 0.600 123.415 122.820 -0.009 0.000 1.940 439 A HA -0.255 4.039 4.320 -0.044 0.000 0.219 439 A C 2.389 179.978 177.584 0.007 0.000 1.176 439 A CA 1.668 53.702 52.037 -0.005 0.000 0.631 439 A CB -0.513 18.477 19.000 -0.017 0.000 0.814 439 A HN 0.302 nan 8.150 nan 0.000 0.446 440 K N -0.188 120.221 120.400 0.014 0.000 2.002 440 K HA -0.102 4.192 4.320 -0.044 0.000 0.209 440 K C 1.921 178.539 176.600 0.030 0.000 1.048 440 K CA 1.614 57.915 56.287 0.023 0.000 0.930 440 K CB -0.385 32.134 32.500 0.031 0.000 0.714 440 K HN 0.506 nan 8.250 nan 0.000 0.438 441 L N 1.035 122.285 121.223 0.045 0.000 2.127 441 L HA -0.188 4.126 4.340 -0.044 0.000 0.211 441 L C 2.754 179.644 176.870 0.033 0.000 1.089 441 L CA 1.274 56.142 54.840 0.047 0.000 0.757 441 L CB -0.378 41.725 42.059 0.073 0.000 0.899 441 L HN 0.263 nan 8.230 nan 0.000 0.434 442 K N 1.455 121.871 120.400 0.027 0.000 2.103 442 K HA -0.181 4.113 4.320 -0.044 0.000 0.204 442 K C 1.966 178.574 176.600 0.013 0.000 1.052 442 K CA 1.380 57.678 56.287 0.018 0.000 0.945 442 K CB 0.099 32.607 32.500 0.012 0.000 0.722 442 K HN 0.350 nan 8.250 nan 0.000 0.443 443 K N -0.142 120.266 120.400 0.012 0.000 2.487 443 K HA -0.016 4.277 4.320 -0.044 0.000 0.192 443 K C 1.128 177.735 176.600 0.011 0.000 1.027 443 K CA 0.636 56.929 56.287 0.009 0.000 1.054 443 K CB 0.329 32.833 32.500 0.007 0.000 0.824 443 K HN -0.177 nan 8.250 nan 0.000 0.510 444 K N 1.024 121.433 120.400 0.015 0.000 2.500 444 K HA 0.147 4.441 4.320 -0.044 0.000 0.206 444 K C 0.222 176.830 176.600 0.014 0.000 1.034 444 K CA 0.405 56.701 56.287 0.015 0.000 1.179 444 K CB 0.173 32.685 32.500 0.019 0.000 0.884 444 K HN 0.421 nan 8.250 nan 0.000 0.493 445 G N 1.220 110.028 108.800 0.012 0.000 2.246 445 G HA2 -0.261 3.672 3.960 -0.044 0.000 0.273 445 G HA3 -0.261 3.672 3.960 -0.044 0.000 0.273 445 G C -0.200 174.708 174.900 0.013 0.000 1.055 445 G CA 0.418 45.525 45.100 0.011 0.000 0.851 445 G HN 0.313 nan 8.290 nan 0.000 0.500 446 I N -0.935 119.645 120.570 0.017 0.000 2.465 446 I HA 0.453 4.596 4.170 -0.044 0.000 0.291 446 I C 0.622 176.752 176.117 0.022 0.000 1.014 446 I CA -0.792 60.520 61.300 0.020 0.000 1.093 446 I CB 2.033 40.048 38.000 0.026 0.000 1.267 446 I HN -0.006 nan 8.210 nan 0.000 0.431 447 K N 5.260 125.672 120.400 0.020 0.000 2.706 447 K HA 0.170 4.464 4.320 -0.044 0.000 0.203 447 K C 0.119 176.732 176.600 0.021 0.000 1.102 447 K CA 0.012 56.310 56.287 0.018 0.000 1.058 447 K CB 0.805 33.312 32.500 0.013 0.000 0.779 447 K HN 0.689 nan 8.250 nan 0.000 0.483 448 E N 0.241 120.456 120.200 0.026 0.000 2.870 448 E HA 0.202 4.526 4.350 -0.044 0.000 0.185 448 E C -0.062 176.561 176.600 0.038 0.000 1.084 448 E CA -0.472 55.944 56.400 0.027 0.000 1.246 448 E CB 0.574 30.287 29.700 0.021 0.000 1.382 448 E HN -0.073 nan 8.360 nan 0.000 0.492 449 I N 2.728 123.325 120.570 0.045 0.000 7.505 449 I HA -0.092 4.051 4.170 -0.044 0.000 0.126 449 I C -2.649 173.488 176.117 0.033 0.000 1.841 449 I CA -0.283 61.052 61.300 0.058 0.000 2.037 449 I CB -1.653 36.415 38.000 0.115 0.000 3.664 449 I HN 0.293 nan 8.210 nan 0.000 0.169 450 P HA 0.352 nan 4.420 nan 0.000 0.277 450 P C 1.314 178.617 177.300 0.005 0.000 1.240 450 P CA -0.375 62.728 63.100 0.005 0.000 0.798 450 P CB 1.484 33.180 31.700 -0.008 0.000 0.979 451 V N 1.360 121.289 119.914 0.025 0.000 2.233 451 V HA -0.321 3.772 4.120 -0.044 0.000 0.256 451 V C 2.509 178.620 176.094 0.027 0.000 1.069 451 V CA 2.238 64.570 62.300 0.052 0.000 1.054 451 V CB -1.211 30.634 31.823 0.037 0.000 0.664 451 V HN 0.631 nan 8.190 nan 0.000 0.453 452 E N -0.458 119.732 120.200 -0.016 0.000 2.136 452 E HA -0.300 4.023 4.350 -0.044 0.000 0.202 452 E C 2.204 178.747 176.600 -0.096 0.000 1.019 452 E CA 1.942 58.314 56.400 -0.047 0.000 0.819 452 E CB -0.228 29.442 29.700 -0.049 0.000 0.739 452 E HN 0.500 nan 8.360 nan 0.000 0.458 453 K N 0.338 120.643 120.400 -0.158 0.000 2.186 453 K HA 0.086 4.380 4.320 -0.044 0.000 0.202 453 K C 2.181 178.438 176.600 -0.571 0.000 1.052 453 K CA 0.188 56.237 56.287 -0.397 0.000 0.965 453 K CB -0.210 32.051 32.500 -0.398 0.000 0.746 453 K HN 0.035 nan 8.250 nan 0.000 0.457 454 L N -0.087 121.034 121.223 -0.170 0.000 2.079 454 L HA -0.211 4.103 4.340 -0.044 0.000 0.210 454 L C 1.973 179.023 176.870 0.301 0.000 1.081 454 L CA 0.970 55.883 54.840 0.121 0.000 0.752 454 L CB -0.369 41.811 42.059 0.202 0.000 0.896 454 L HN -0.005 nan 8.230 nan 0.000 0.433 455 V N -0.728 119.314 119.914 0.214 0.000 2.261 455 V HA -0.304 3.790 4.120 -0.044 0.000 0.246 455 V C 2.495 178.697 176.094 0.179 0.000 1.047 455 V CA 2.423 64.824 62.300 0.168 0.000 1.015 455 V CB -0.873 30.947 31.823 -0.005 0.000 0.642 455 V HN 0.474 nan 8.190 nan 0.000 0.446 456 T N -0.019 114.549 114.554 0.024 0.000 2.803 456 T HA -0.164 4.160 4.350 -0.044 0.000 0.269 456 T C 1.656 176.467 174.700 0.184 0.000 1.052 456 T CA 1.654 63.769 62.100 0.025 0.000 1.136 456 T CB -0.443 68.367 68.868 -0.097 0.000 0.864 456 T HN 0.425 nan 8.240 nan 0.000 0.467 457 F N -0.250 119.839 119.950 0.231 0.000 2.102 457 F HA -0.092 4.409 4.527 -0.044 0.000 0.298 457 F C 2.349 178.305 175.800 0.259 0.000 1.105 457 F CA 0.922 59.080 58.000 0.263 0.000 1.239 457 F CB -0.376 38.735 39.000 0.185 0.000 0.991 457 F HN 0.125 nan 8.300 nan 0.000 0.474 458 Y N 1.182 121.720 120.300 0.395 0.000 2.114 458 Y HA -0.265 4.259 4.550 -0.044 0.000 0.284 458 Y C 2.441 178.473 175.900 0.221 0.000 1.143 458 Y CA 1.975 60.259 58.100 0.308 0.000 1.135 458 Y CB -0.632 38.036 38.460 0.347 0.000 0.980 458 Y HN 0.039 nan 8.280 nan 0.000 0.499 459 E N -0.687 119.673 120.200 0.267 0.000 2.160 459 E HA -0.186 4.138 4.350 -0.044 0.000 0.195 459 E C 1.646 178.242 176.600 -0.006 0.000 0.991 459 E CA 1.581 58.086 56.400 0.175 0.000 0.810 459 E CB -0.090 29.723 29.700 0.188 0.000 0.742 459 E HN 0.594 nan 8.360 nan 0.000 0.466 460 S N -2.082 113.590 115.700 -0.046 0.000 2.687 460 S HA 0.107 4.550 4.470 -0.044 0.000 0.247 460 S C 1.068 175.417 174.600 -0.419 0.000 1.050 460 S CA -0.537 57.534 58.200 -0.215 0.000 1.063 460 S CB 0.245 63.299 63.200 -0.243 0.000 1.039 460 S HN 0.250 nan 8.310 nan 0.000 0.580 461 H N 0.736 119.827 119.070 0.035 0.000 3.170 461 H HA 0.362 4.891 4.556 -0.044 0.000 0.264 461 H C 1.634 176.951 175.328 -0.019 0.000 1.113 461 H CA 0.348 56.407 56.048 0.020 0.000 1.194 461 H CB 0.763 30.552 29.762 0.046 0.000 1.553 461 H HN 0.540 nan 8.280 nan 0.000 0.538 462 G N 1.865 110.636 108.800 -0.047 0.000 2.168 462 G HA2 -0.282 3.652 3.960 -0.044 0.000 0.257 462 G HA3 -0.282 3.652 3.960 -0.044 0.000 0.257 462 G C 0.219 175.188 174.900 0.115 0.000 0.997 462 G CA 0.322 45.322 45.100 -0.167 0.000 0.708 462 G HN 0.245 nan 8.290 nan 0.000 0.520 463 L N 1.491 122.828 121.223 0.191 0.000 2.326 463 L HA 0.518 4.831 4.340 -0.044 0.000 0.278 463 L C 1.257 178.360 176.870 0.389 0.000 1.092 463 L CA -0.243 54.745 54.840 0.246 0.000 0.810 463 L CB 1.134 43.261 42.059 0.114 0.000 1.153 463 L HN 0.319 nan 8.230 nan 0.000 0.439 464 T N -1.143 113.623 114.554 0.353 0.000 2.913 464 T HA 0.259 4.583 4.350 -0.044 0.000 0.287 464 T C -1.679 173.043 174.700 0.036 0.000 1.008 464 T CA -1.831 60.436 62.100 0.279 0.000 1.067 464 T CB 1.403 70.469 68.868 0.329 0.000 0.996 464 T HN 0.426 nan 8.240 nan 0.000 0.513 465 P HA -0.189 nan 4.420 nan 0.000 0.219 465 P C 1.186 178.402 177.300 -0.140 0.000 1.146 465 P CA 1.293 64.202 63.100 -0.318 0.000 0.808 465 P CB 0.091 31.326 31.700 -0.774 0.000 0.779 466 E N 0.416 120.576 120.200 -0.067 0.000 2.085 466 E HA -0.167 4.157 4.350 -0.044 0.000 0.194 466 E C 2.119 178.712 176.600 -0.012 0.000 0.994 466 E CA 1.033 57.425 56.400 -0.013 0.000 0.801 466 E CB -1.297 28.428 29.700 0.042 0.000 0.743 466 E HN 0.220 nan 8.360 nan 0.000 0.453 467 I N 1.268 121.839 120.570 0.000 0.000 2.252 467 I HA -0.229 3.914 4.170 -0.044 0.000 0.245 467 I C 2.386 178.475 176.117 -0.046 0.000 1.102 467 I CA 0.750 62.041 61.300 -0.016 0.000 1.385 467 I CB -0.199 37.797 38.000 -0.006 0.000 1.064 467 I HN 0.030 nan 8.210 nan 0.000 0.414 468 V N 1.858 121.745 119.914 -0.046 0.000 2.332 468 V HA -0.317 3.777 4.120 -0.044 0.000 0.248 468 V C 2.552 178.613 176.094 -0.055 0.000 1.055 468 V CA 2.442 64.699 62.300 -0.071 0.000 1.038 468 V CB -0.931 30.889 31.823 -0.006 0.000 0.651 468 V HN 0.540 nan 8.190 nan 0.000 0.450 469 K N 2.021 122.398 120.400 -0.038 0.000 2.097 469 K HA -0.209 4.085 4.320 -0.044 0.000 0.205 469 K C 1.967 178.549 176.600 -0.030 0.000 1.050 469 K CA 2.056 58.326 56.287 -0.028 0.000 0.938 469 K CB -0.588 31.895 32.500 -0.028 0.000 0.718 469 K HN 0.628 nan 8.250 nan 0.000 0.442 470 E N 1.156 121.335 120.200 -0.033 0.000 2.285 470 E HA -0.120 4.203 4.350 -0.044 0.000 0.194 470 E C 2.011 178.585 176.600 -0.043 0.000 0.997 470 E CA 0.828 57.208 56.400 -0.032 0.000 0.845 470 E CB -0.249 29.435 29.700 -0.028 0.000 0.782 470 E HN 0.509 nan 8.360 nan 0.000 0.491 471 I N 1.663 122.198 120.570 -0.058 0.000 2.202 471 I HA -0.210 3.934 4.170 -0.044 0.000 0.242 471 I C 2.697 178.776 176.117 -0.064 0.000 1.091 471 I CA 1.143 62.398 61.300 -0.074 0.000 1.368 471 I CB -0.280 37.652 38.000 -0.113 0.000 1.058 471 I HN 0.169 nan 8.210 nan 0.000 0.410 472 A N 1.068 123.855 122.820 -0.055 0.000 1.825 472 A HA -0.186 4.108 4.320 -0.044 0.000 0.214 472 A C 1.245 178.816 177.584 -0.023 0.000 1.206 472 A CA 1.050 53.066 52.037 -0.034 0.000 0.609 472 A CB -0.948 18.045 19.000 -0.012 0.000 0.851 472 A HN 0.571 nan 8.150 nan 0.000 0.445 473 E N -0.305 119.884 120.200 -0.019 0.000 1.939 473 E HA 0.323 4.647 4.350 -0.044 0.000 0.259 473 E C -0.146 176.441 176.600 -0.021 0.000 1.259 473 E CA 0.572 56.963 56.400 -0.016 0.000 0.971 473 E CB 0.080 29.773 29.700 -0.012 0.000 1.055 473 E HN 0.516 nan 8.360 nan 0.000 0.420 474 K N 2.533 122.920 120.400 -0.021 0.000 1.656 474 K HA -0.059 4.235 4.320 -0.044 0.000 0.113 474 K C -0.663 175.923 176.600 -0.024 0.000 2.123 474 K CA 0.547 56.819 56.287 -0.024 0.000 0.953 474 K CB 0.282 32.763 32.500 -0.031 0.000 2.266 474 K HN 0.596 nan 8.250 nan 0.000 0.343 475 E N -0.644 119.543 120.200 -0.021 0.000 3.957 475 E HA 0.186 4.510 4.350 -0.044 0.000 0.172 475 E C 0.223 176.817 176.600 -0.010 0.000 1.032 475 E CA -0.065 56.325 56.400 -0.017 0.000 1.491 475 E CB 0.679 30.366 29.700 -0.021 0.000 1.151 475 E HN 0.269 nan 8.360 nan 0.000 0.410 476 G N 0.561 109.356 108.800 -0.008 0.000 2.246 476 G HA2 -0.257 3.676 3.960 -0.044 0.000 0.273 476 G HA3 -0.257 3.676 3.960 -0.044 0.000 0.273 476 G C 0.034 174.935 174.900 0.001 0.000 1.055 476 G CA 0.485 45.583 45.100 -0.003 0.000 0.851 476 G HN 0.331 nan 8.290 nan 0.000 0.500 477 V N -0.544 119.371 119.914 0.002 0.000 2.914 477 V HA 0.611 4.705 4.120 -0.044 0.000 0.314 477 V C 0.246 176.346 176.094 0.011 0.000 1.084 477 V CA -1.624 60.683 62.300 0.010 0.000 0.963 477 V CB 2.095 33.929 31.823 0.018 0.000 1.025 477 V HN 0.167 nan 8.190 nan 0.000 0.432 478 K N 1.701 122.111 120.400 0.017 0.000 2.276 478 K HA 0.399 4.693 4.320 -0.044 0.000 0.283 478 K C -0.525 176.085 176.600 0.017 0.000 1.044 478 K CA -0.189 56.107 56.287 0.014 0.000 0.944 478 K CB 1.866 34.374 32.500 0.015 0.000 1.012 478 K HN 0.553 nan 8.250 nan 0.000 0.472 479 V N 3.597 123.515 119.914 0.007 0.000 2.461 479 V HA 0.216 4.310 4.120 -0.044 0.000 0.275 479 V C -0.659 175.435 176.094 0.000 0.000 1.047 479 V CA -0.201 62.100 62.300 0.000 0.000 0.955 479 V CB 0.299 32.117 31.823 -0.010 0.000 0.988 479 V HN 0.731 nan 8.190 nan 0.000 0.471 480 N N 5.498 124.198 118.700 0.001 0.000 2.722 480 N HA 0.429 5.143 4.740 -0.044 0.000 0.242 480 N C -0.848 174.660 175.510 -0.003 0.000 1.398 480 N CA -0.381 52.670 53.050 0.001 0.000 0.755 480 N CB 0.671 39.165 38.487 0.011 0.000 1.268 480 N HN 0.708 nan 8.380 nan 0.000 0.522 481 I N 1.622 122.177 120.570 -0.025 0.000 2.581 481 I HA 0.160 4.304 4.170 -0.044 0.000 0.285 481 I C -1.639 174.484 176.117 0.009 0.000 1.129 481 I CA -1.290 59.978 61.300 -0.052 0.000 1.397 481 I CB -0.028 37.914 38.000 -0.096 0.000 1.399 481 I HN 0.154 nan 8.210 nan 0.000 0.537 482 P HA 0.071 nan 4.420 nan 0.000 0.269 482 P C -0.150 177.212 177.300 0.104 0.000 1.209 482 P CA -0.188 62.964 63.100 0.087 0.000 0.776 482 P CB 0.555 32.331 31.700 0.126 0.000 0.876 483 D N 0.674 121.125 120.400 0.085 0.000 2.218 483 D HA -0.142 4.471 4.640 -0.044 0.000 0.204 483 D C 1.008 177.384 176.300 0.127 0.000 0.976 483 D CA 1.207 55.265 54.000 0.097 0.000 0.853 483 D CB -0.461 40.385 40.800 0.076 0.000 0.939 483 D HN 0.450 nan 8.370 nan 0.000 0.481 484 N N -0.026 118.743 118.700 0.115 0.000 2.275 484 N HA -0.029 4.684 4.740 -0.044 0.000 0.236 484 N C 0.973 176.538 175.510 0.092 0.000 1.154 484 N CA -0.453 52.657 53.050 0.100 0.000 0.866 484 N CB -0.615 37.904 38.487 0.052 0.000 1.093 484 N HN 0.106 nan 8.380 nan 0.000 0.515 485 F N 1.675 121.599 119.950 -0.043 0.000 2.063 485 F HA -0.249 4.252 4.527 -0.044 0.000 0.298 485 F C 1.322 176.990 175.800 -0.220 0.000 1.109 485 F CA 1.755 59.647 58.000 -0.181 0.000 1.212 485 F CB -0.246 38.553 39.000 -0.334 0.000 0.973 485 F HN -0.013 nan 8.300 nan 0.000 0.480 486 Y N 0.041 120.354 120.300 0.022 0.000 2.314 486 Y HA -0.163 4.361 4.550 -0.044 0.000 0.293 486 Y C 2.905 178.737 175.900 -0.114 0.000 1.129 486 Y CA 1.281 59.325 58.100 -0.093 0.000 1.201 486 Y CB -0.783 37.720 38.460 0.072 0.000 0.999 486 Y HN 0.201 nan 8.280 nan 0.000 0.541 487 S N -0.796 114.954 115.700 0.084 0.000 2.453 487 S HA -0.187 4.256 4.470 -0.044 0.000 0.231 487 S C 1.834 176.413 174.600 -0.035 0.000 1.005 487 S CA 0.865 59.100 58.200 0.059 0.000 0.949 487 S CB -0.401 62.835 63.200 0.060 0.000 0.774 487 S HN 0.388 nan 8.310 nan 0.000 0.510 488 M N 2.082 121.600 119.600 -0.137 0.000 2.218 488 M HA 0.015 4.469 4.480 -0.044 0.000 0.262 488 M C 2.076 178.242 176.300 -0.223 0.000 1.081 488 M CA 1.698 56.879 55.300 -0.198 0.000 1.100 488 M CB -0.840 31.571 32.600 -0.315 0.000 1.258 488 M HN 0.158 nan 8.290 nan 0.000 0.438 489 V N 0.977 120.654 119.914 -0.395 0.000 2.357 489 V HA -0.399 3.695 4.120 -0.044 0.000 0.257 489 V C 2.513 178.568 176.094 -0.066 0.000 1.082 489 V CA 2.139 64.262 62.300 -0.294 0.000 1.078 489 V CB -1.958 29.533 31.823 -0.553 0.000 0.663 489 V HN 0.713 nan 8.190 nan 0.000 0.455 490 A N -0.562 122.223 122.820 -0.058 0.000 1.917 490 A HA -0.260 4.034 4.320 -0.044 0.000 0.219 490 A C 2.239 179.779 177.584 -0.073 0.000 1.182 490 A CA 1.972 53.992 52.037 -0.028 0.000 0.633 490 A CB -0.483 18.550 19.000 0.056 0.000 0.819 490 A HN 0.461 nan 8.150 nan 0.000 0.448 491 K N -0.178 120.177 120.400 -0.075 0.000 2.211 491 K HA -0.145 4.148 4.320 -0.044 0.000 0.204 491 K C 1.650 178.166 176.600 -0.140 0.000 1.047 491 K CA 1.170 57.403 56.287 -0.091 0.000 0.935 491 K CB -0.255 32.199 32.500 -0.078 0.000 0.728 491 K HN 0.520 nan 8.250 nan 0.000 0.452 492 E N 0.656 120.750 120.200 -0.177 0.000 2.110 492 E HA -0.108 4.215 4.350 -0.044 0.000 0.193 492 E C 1.975 178.333 176.600 -0.403 0.000 0.988 492 E CA 0.972 57.214 56.400 -0.264 0.000 0.804 492 E CB -0.363 29.182 29.700 -0.258 0.000 0.745 492 E HN 0.260 nan 8.360 nan 0.000 0.458 493 A N 1.981 124.498 122.820 -0.504 0.000 2.042 493 A HA -0.212 4.081 4.320 -0.044 0.000 0.222 493 A C 1.212 178.628 177.584 -0.279 0.000 1.167 493 A CA 1.452 53.195 52.037 -0.490 0.000 0.649 493 A CB -0.616 18.211 19.000 -0.289 0.000 0.809 493 A HN 0.341 nan 8.150 nan 0.000 0.457 494 E N 0.356 120.431 120.200 -0.209 0.000 2.069 494 E HA 0.371 4.694 4.350 -0.044 0.000 0.254 494 E C -0.039 176.482 176.600 -0.131 0.000 1.088 494 E CA -0.815 55.498 56.400 -0.145 0.000 1.017 494 E CB 0.144 29.777 29.700 -0.112 0.000 1.226 494 E HN 0.352 nan 8.360 nan 0.000 0.458 495 R N 1.696 122.114 120.500 -0.136 0.000 2.801 495 R HA 0.063 4.377 4.340 -0.044 0.000 0.273 495 R C -0.195 176.056 176.300 -0.082 0.000 1.080 495 R CA 0.818 56.852 56.100 -0.111 0.000 1.197 495 R CB 0.063 30.296 30.300 -0.111 0.000 1.109 495 R HN 0.545 nan 8.270 nan 0.000 0.535 505 V N 0.792 120.671 119.914 -0.057 0.000 0.735 505 V HA -0.308 3.786 4.120 -0.044 0.000 0.053 505 V C 0.033 176.013 176.094 -0.191 0.000 2.562 505 V CA 2.636 64.865 62.300 -0.120 0.000 3.564 505 V CB -0.200 31.509 31.823 -0.191 0.000 1.229 505 V HN 0.733 nan 8.190 nan 0.000 1.090 506 D N -1.440 118.903 120.400 -0.096 0.000 2.194 506 D HA 0.249 4.863 4.640 -0.044 0.000 0.136 506 D C -0.888 175.434 176.300 0.037 0.000 0.961 506 D CA 0.347 54.287 54.000 -0.100 0.000 1.080 506 D CB 0.196 40.761 40.800 -0.393 0.000 3.935 506 D HN 0.554 nan 8.370 nan 0.000 0.561 507 F N 1.940 121.822 119.950 -0.113 0.000 2.588 507 F HA 0.650 5.151 4.527 -0.045 0.000 0.314 507 F C 1.336 177.102 175.800 -0.056 0.000 1.069 507 F CA -0.605 57.348 58.000 -0.079 0.000 0.931 507 F CB 1.710 40.675 39.000 -0.059 0.000 1.260 507 F HN 0.406 nan 8.300 nan 0.000 0.465 508 E N 0.685 120.864 120.200 -0.035 0.000 5.279 508 E HA -0.261 4.063 4.350 -0.044 0.000 0.177 508 E C 0.841 177.341 176.600 -0.167 0.000 1.169 508 E CA 2.262 58.605 56.400 -0.095 0.000 1.892 508 E CB -1.190 28.469 29.700 -0.068 0.000 1.841 508 E HN 0.669 nan 8.360 nan 0.000 0.361 509 L N 0.231 121.290 121.223 -0.273 0.000 2.700 509 L HA 0.041 4.354 4.340 -0.044 0.000 0.240 509 L C 1.650 178.453 176.870 -0.113 0.000 1.162 509 L CA 1.084 55.807 54.840 -0.194 0.000 0.874 509 L CB -0.647 41.275 42.059 -0.228 0.000 1.001 509 L HN 0.281 nan 8.230 nan 0.000 0.447 510 L N -1.721 119.447 121.223 -0.091 0.000 2.547 510 L HA 0.105 4.419 4.340 -0.044 0.000 0.218 510 L C 2.206 179.057 176.870 -0.031 0.000 1.048 510 L CA 0.495 55.302 54.840 -0.055 0.000 0.859 510 L CB -0.442 41.584 42.059 -0.056 0.000 1.128 510 L HN 0.001 nan 8.230 nan 0.000 0.483 511 K N 1.035 121.419 120.400 -0.027 0.000 2.227 511 K HA -0.241 4.052 4.320 -0.044 0.000 0.208 511 K C 1.240 177.836 176.600 -0.006 0.000 1.045 511 K CA 2.089 58.371 56.287 -0.009 0.000 0.931 511 K CB -0.300 32.198 32.500 -0.003 0.000 0.721 511 K HN 0.524 nan 8.250 nan 0.000 0.469 512 D N -0.605 119.787 120.400 -0.012 0.000 2.349 512 D HA -0.048 4.565 4.640 -0.044 0.000 0.224 512 D C 0.207 176.506 176.300 -0.003 0.000 1.029 512 D CA 0.209 54.205 54.000 -0.007 0.000 0.879 512 D CB -0.098 40.695 40.800 -0.011 0.000 0.906 512 D HN 0.209 nan 8.370 nan 0.000 0.528 513 L N 1.467 122.689 121.223 -0.003 0.000 2.334 513 L HA 0.390 4.703 4.340 -0.044 0.000 0.275 513 L C -1.984 174.891 176.870 0.007 0.000 1.036 513 L CA -2.066 52.777 54.840 0.004 0.000 0.807 513 L CB 1.311 43.373 42.059 0.005 0.000 1.231 513 L HN -0.213 nan 8.230 nan 0.000 0.438 514 P HA 0.105 nan 4.420 nan 0.000 0.272 514 P C -1.277 176.031 177.300 0.014 0.000 1.223 514 P CA -0.550 62.556 63.100 0.011 0.000 0.784 514 P CB 0.477 32.184 31.700 0.013 0.000 0.923 515 D N 0.445 120.850 120.400 0.009 0.000 2.472 515 D HA 0.065 4.678 4.640 -0.044 0.000 0.237 515 D C 0.215 176.526 176.300 0.020 0.000 1.141 515 D CA 0.648 54.655 54.000 0.013 0.000 0.875 515 D CB -0.264 40.538 40.800 0.003 0.000 1.192 515 D HN 0.211 nan 8.370 nan 0.000 0.450 516 T N 2.186 116.758 114.554 0.031 0.000 2.870 516 T HA 0.060 4.383 4.350 -0.044 0.000 0.300 516 T C 0.771 175.482 174.700 0.018 0.000 0.989 516 T CA -0.363 61.762 62.100 0.041 0.000 1.139 516 T CB 0.482 69.391 68.868 0.067 0.000 0.920 516 T HN 0.207 nan 8.240 nan 0.000 0.537 517 R N 2.664 123.169 120.500 0.009 0.000 2.351 517 R HA 0.094 4.407 4.340 -0.044 0.000 0.318 517 R C -0.138 176.117 176.300 -0.075 0.000 1.055 517 R CA -0.228 55.861 56.100 -0.019 0.000 0.968 517 R CB 0.257 30.553 30.300 -0.007 0.000 0.974 517 R HN 0.541 nan 8.270 nan 0.000 0.439 518 R N 5.574 125.985 120.500 -0.149 0.000 2.593 518 R HA 0.099 4.412 4.340 -0.044 0.000 0.282 518 R C 0.975 176.994 176.300 -0.468 0.000 1.300 518 R CA -0.195 55.618 56.100 -0.479 0.000 1.221 518 R CB 0.403 30.226 30.300 -0.795 0.000 1.157 518 R HN 0.645 nan 8.270 nan 0.000 0.555 519 L N 1.607 122.658 121.223 -0.285 0.000 2.131 519 L HA -0.217 4.097 4.340 -0.044 0.000 0.210 519 L C 1.814 178.622 176.870 -0.104 0.000 1.092 519 L CA 1.316 56.068 54.840 -0.147 0.000 0.759 519 L CB -0.420 41.549 42.059 -0.150 0.000 0.903 519 L HN 0.671 nan 8.230 nan 0.000 0.435 520 Y N -3.299 116.931 120.300 -0.116 0.000 2.574 520 Y HA -0.163 4.369 4.550 -0.029 0.000 0.294 520 Y C 1.920 177.789 175.900 -0.051 0.000 1.142 520 Y CA 0.509 58.546 58.100 -0.105 0.000 1.314 520 Y CB -0.910 37.466 38.460 -0.140 0.000 0.991 520 Y HN 0.026 nan 8.280 nan 0.000 0.555 521 Y N 1.031 121.131 120.300 -0.333 0.000 2.476 521 Y HA 0.082 4.598 4.550 -0.056 0.000 0.283 521 Y C 1.979 177.900 175.900 0.035 0.000 1.109 521 Y CA 0.252 58.259 58.100 -0.154 0.000 1.246 521 Y CB -0.276 38.118 38.460 -0.108 0.000 1.068 521 Y HN 0.319 nan 8.280 nan 0.000 0.552 522 E N -0.504 119.808 120.200 0.188 0.000 2.076 522 E HA -0.089 4.235 4.350 -0.044 0.000 0.190 522 E C -0.080 176.649 176.600 0.214 0.000 0.979 522 E CA 1.170 57.687 56.400 0.194 0.000 0.807 522 E CB 0.253 30.025 29.700 0.120 0.000 0.761 522 E HN 0.080 nan 8.360 nan 0.000 0.454 523 D N -0.709 119.801 120.400 0.182 0.000 2.375 523 D HA 0.089 4.702 4.640 -0.044 0.000 0.241 523 D C -2.424 173.987 176.300 0.185 0.000 1.361 523 D CA -2.003 52.125 54.000 0.214 0.000 0.995 523 D CB 1.494 42.403 40.800 0.181 0.000 1.312 523 D HN -0.209 nan 8.370 nan 0.000 0.576 524 P HA 0.188 nan 4.420 nan 0.000 0.255 524 P C 0.195 177.468 177.300 -0.045 0.000 1.357 524 P CA -0.011 63.095 63.100 0.011 0.000 0.839 524 P CB -0.236 31.366 31.700 -0.164 0.000 1.356 525 F N -1.564 118.512 119.950 0.209 0.000 2.746 525 F HA 0.374 4.874 4.527 -0.045 0.000 0.320 525 F C 1.235 176.970 175.800 -0.108 0.000 1.097 525 F CA -0.456 57.617 58.000 0.122 0.000 1.195 525 F CB 0.198 39.248 39.000 0.083 0.000 1.056 525 F HN -0.168 nan 8.300 nan 0.000 0.562 526 M N 2.483 122.167 119.600 0.141 0.000 2.307 526 M HA 0.047 4.501 4.480 -0.044 0.000 0.346 526 M C 1.117 177.426 176.300 0.014 0.000 1.552 526 M CA 0.499 55.835 55.300 0.061 0.000 1.116 526 M CB 0.421 33.075 32.600 0.091 0.000 1.889 526 M HN 0.237 nan 8.290 nan 0.000 0.460 527 K N 2.754 123.101 120.400 -0.087 0.000 2.367 527 K HA 0.292 4.586 4.320 -0.044 0.000 0.195 527 K C -0.306 176.303 176.600 0.016 0.000 1.060 527 K CA 0.040 56.277 56.287 -0.082 0.000 1.022 527 K CB 0.651 32.955 32.500 -0.327 0.000 0.894 527 K HN 0.573 nan 8.250 nan 0.000 0.540 528 E N 0.555 120.781 120.200 0.043 0.000 2.369 528 E HA 0.488 4.811 4.350 -0.044 0.000 0.270 528 E C -1.216 175.436 176.600 0.087 0.000 0.909 528 E CA -1.102 55.302 56.400 0.006 0.000 0.775 528 E CB 1.977 31.689 29.700 0.020 0.000 1.270 528 E HN 0.106 nan 8.360 nan 0.000 0.445 529 F N -1.622 118.146 119.950 -0.303 0.000 2.831 529 F HA 0.601 5.105 4.527 -0.039 0.000 0.318 529 F C -1.664 173.961 175.800 -0.291 0.000 1.174 529 F CA -1.044 56.836 58.000 -0.199 0.000 0.918 529 F CB 1.269 40.223 39.000 -0.076 0.000 1.364 529 F HN 0.121 nan 8.300 nan 0.000 0.475 530 D N 0.634 121.063 120.400 0.047 0.000 2.671 530 D HA 0.758 5.372 4.640 -0.044 0.000 0.232 530 D C -1.034 175.399 176.300 0.220 0.000 1.114 530 D CA -0.183 53.815 54.000 -0.004 0.000 0.858 530 D CB 2.214 43.049 40.800 0.058 0.000 1.544 530 D HN 1.025 nan 8.370 nan 0.000 0.471 531 A N 1.232 124.149 122.820 0.161 0.000 2.581 531 A HA 0.622 4.916 4.320 -0.044 0.000 0.290 531 A C -1.374 176.290 177.584 0.133 0.000 1.119 531 A CA -0.739 51.423 52.037 0.209 0.000 0.670 531 A CB 1.775 20.990 19.000 0.359 0.000 1.280 531 A HN 0.344 nan 8.150 nan 0.000 0.425 532 K N 0.413 120.885 120.400 0.120 0.000 2.270 532 K HA 0.628 4.921 4.320 -0.044 0.000 0.255 532 K C -1.249 175.406 176.600 0.091 0.000 0.936 532 K CA -0.540 55.802 56.287 0.093 0.000 0.809 532 K CB 1.861 34.406 32.500 0.075 0.000 1.131 532 K HN 0.481 nan 8.250 nan 0.000 0.427 533 V N 6.099 126.069 119.914 0.093 0.000 2.470 533 V HA -0.000 4.093 4.120 -0.044 0.000 0.276 533 V C 0.773 176.908 176.094 0.068 0.000 1.040 533 V CA -0.048 62.304 62.300 0.087 0.000 1.008 533 V CB 1.049 32.950 31.823 0.131 0.000 0.990 533 V HN 0.778 nan 8.190 nan 0.000 0.477 534 L N 4.287 125.545 121.223 0.058 0.000 2.269 534 L HA 0.357 4.671 4.340 -0.044 0.000 0.200 534 L C 0.968 177.862 176.870 0.040 0.000 1.069 534 L CA 1.168 56.036 54.840 0.047 0.000 0.804 534 L CB -0.346 41.740 42.059 0.045 0.000 0.987 534 L HN 0.657 nan 8.230 nan 0.000 0.468 535 R N -1.816 118.708 120.500 0.040 0.000 2.707 535 R HA 0.625 4.938 4.340 -0.044 0.000 0.272 535 R C -1.738 174.585 176.300 0.038 0.000 1.011 535 R CA -0.399 55.721 56.100 0.034 0.000 0.893 535 R CB 1.935 32.248 30.300 0.022 0.000 1.233 535 R HN -0.269 nan 8.270 nan 0.000 0.464 536 V N 5.272 125.211 119.914 0.041 0.000 2.289 536 V HA 0.426 4.520 4.120 -0.044 0.000 0.272 536 V C -0.328 175.795 176.094 0.049 0.000 1.026 536 V CA -0.518 61.808 62.300 0.044 0.000 0.807 536 V CB 0.875 32.734 31.823 0.060 0.000 1.044 536 V HN 0.588 nan 8.190 nan 0.000 0.443 537 I N 4.725 125.336 120.570 0.068 0.000 2.301 537 I HA 0.379 4.522 4.170 -0.044 0.000 0.292 537 I C 1.005 177.197 176.117 0.125 0.000 1.046 537 I CA -0.064 61.278 61.300 0.069 0.000 1.282 537 I CB 0.720 38.740 38.000 0.035 0.000 1.409 537 I HN 0.605 nan 8.210 nan 0.000 0.484 538 K N 3.463 123.915 120.400 0.087 0.000 8.640 538 K HA -0.301 3.993 4.320 -0.044 0.000 0.409 538 K C 0.617 177.256 176.600 0.065 0.000 0.538 538 K CA 2.385 58.727 56.287 0.092 0.000 1.437 538 K CB -0.678 31.910 32.500 0.146 0.000 0.799 538 K HN 0.947 nan 8.250 nan 0.000 1.060 539 D N -1.082 119.359 120.400 0.068 0.000 2.556 539 D HA 0.099 4.712 4.640 -0.044 0.000 0.237 539 D C -0.731 175.409 176.300 -0.266 0.000 1.296 539 D CA -0.179 53.758 54.000 -0.107 0.000 0.807 539 D CB -0.295 40.398 40.800 -0.177 0.000 1.084 539 D HN 0.276 nan 8.370 nan 0.000 0.510 540 W N 1.085 122.334 121.300 -0.086 0.000 2.391 540 W HA 0.551 5.184 4.660 -0.045 0.000 0.311 540 W C -0.036 176.414 176.519 -0.115 0.000 1.087 540 W CA -0.843 56.439 57.345 -0.105 0.000 1.209 540 W CB 1.602 31.011 29.460 -0.084 0.000 1.273 540 W HN -0.336 nan 8.180 nan 0.000 0.482 541 V N 5.599 125.524 119.914 0.018 0.000 2.481 541 V HA 0.414 4.507 4.120 -0.044 0.000 0.286 541 V C 0.070 176.213 176.094 0.082 0.000 1.042 541 V CA -0.857 61.393 62.300 -0.084 0.000 0.928 541 V CB 1.131 32.690 31.823 -0.440 0.000 0.986 541 V HN 0.331 nan 8.190 nan 0.000 0.462 542 I N 5.816 126.425 120.570 0.065 0.000 2.418 542 I HA 0.441 4.585 4.170 -0.044 0.000 0.287 542 I C -0.389 175.779 176.117 0.085 0.000 1.008 542 I CA -0.289 61.082 61.300 0.118 0.000 1.104 542 I CB 1.539 39.586 38.000 0.078 0.000 1.264 542 I HN 0.356 nan 8.210 nan 0.000 0.438 543 L N 4.435 125.732 121.223 0.124 0.000 2.365 543 L HA 0.380 4.693 4.340 -0.044 0.000 0.267 543 L C 0.964 177.899 176.870 0.108 0.000 1.033 543 L CA -0.651 54.251 54.840 0.104 0.000 0.802 543 L CB 0.993 43.121 42.059 0.115 0.000 1.267 543 L HN 0.616 nan 8.230 nan 0.000 0.457 544 D N -0.440 120.019 120.400 0.098 0.000 2.323 544 D HA 0.129 4.743 4.640 -0.044 0.000 0.209 544 D C 0.144 176.488 176.300 0.074 0.000 0.973 544 D CA 0.393 54.440 54.000 0.077 0.000 0.874 544 D CB 0.474 41.315 40.800 0.068 0.000 0.930 544 D HN 0.442 nan 8.370 nan 0.000 0.521 545 A N -1.057 121.819 122.820 0.093 0.000 2.577 545 A HA 0.606 4.899 4.320 -0.044 0.000 0.297 545 A C -1.084 176.495 177.584 -0.009 0.000 1.060 545 A CA -0.518 51.544 52.037 0.041 0.000 0.697 545 A CB 1.821 20.846 19.000 0.042 0.000 1.281 545 A HN 0.031 nan 8.150 nan 0.000 0.402 546 T N -0.064 114.403 114.554 -0.146 0.000 2.932 546 T HA 0.598 4.921 4.350 -0.044 0.000 0.318 546 T C 0.319 174.788 174.700 -0.385 0.000 1.265 546 T CA 0.567 62.438 62.100 -0.383 0.000 1.036 546 T CB 1.521 70.560 68.868 0.284 0.000 1.209 546 T HN 1.879 nan 8.240 nan 0.000 0.484 547 A N 3.056 125.397 122.820 -0.798 0.000 2.308 547 A HA 0.446 4.740 4.320 -0.044 0.000 0.217 547 A C 0.146 177.697 177.584 -0.054 0.000 1.216 547 A CA -0.203 51.690 52.037 -0.241 0.000 0.864 547 A CB -0.346 18.484 19.000 -0.284 0.000 0.902 547 A HN 0.651 nan 8.150 nan 0.000 0.499 548 F N 0.187 120.168 119.950 0.051 0.000 2.502 548 F HA 0.206 4.704 4.527 -0.048 0.000 0.371 548 F C 0.383 176.073 175.800 -0.183 0.000 1.083 548 F CA -0.110 57.936 58.000 0.076 0.000 1.174 548 F CB 0.024 39.163 39.000 0.233 0.000 1.096 548 F HN 0.325 nan 8.300 nan 0.000 0.545 549 Y N 7.436 127.570 120.300 -0.277 0.000 2.605 549 Y HA 0.165 4.687 4.550 -0.046 0.000 0.336 549 Y C -2.094 173.686 175.900 -0.201 0.000 1.111 549 Y CA -2.936 54.824 58.100 -0.567 0.000 1.422 549 Y CB 0.035 38.211 38.460 -0.474 0.000 1.193 549 Y HN 0.323 nan 8.280 nan 0.000 0.526 550 P HA 0.022 nan 4.420 nan 0.000 0.276 550 P C -0.740 176.174 177.300 -0.644 0.000 1.230 550 P CA -0.301 62.493 63.100 -0.509 0.000 0.776 550 P CB 0.859 32.331 31.700 -0.380 0.000 0.888 551 E N 1.605 121.706 120.200 -0.164 0.000 2.568 551 E HA 0.304 4.627 4.350 -0.044 0.000 0.262 551 E C 0.089 176.636 176.600 -0.088 0.000 0.961 551 E CA 0.692 57.075 56.400 -0.028 0.000 0.945 551 E CB -0.209 29.568 29.700 0.130 0.000 0.924 551 E HN 0.763 nan 8.360 nan 0.000 0.467 552 G N 1.587 110.401 108.800 0.025 0.000 2.386 552 G HA2 0.400 4.334 3.960 -0.044 0.000 0.302 552 G HA3 0.400 4.334 3.960 -0.044 0.000 0.302 552 G C 0.198 175.183 174.900 0.141 0.000 1.629 552 G CA -0.060 45.078 45.100 0.063 0.000 0.917 552 G HN 1.132 nan 8.290 nan 0.000 0.676 553 G N -0.739 108.119 108.800 0.096 0.000 2.198 553 G HA2 0.339 4.272 3.960 -0.044 0.000 0.257 553 G HA3 0.339 4.272 3.960 -0.044 0.000 0.257 553 G C 2.010 176.885 174.900 -0.041 0.000 1.042 553 G CA 1.288 46.437 45.100 0.082 0.000 0.791 553 G HN 2.910 nan 8.290 nan 0.000 0.502 554 G N -1.408 107.358 108.800 -0.057 0.000 2.189 554 G HA2 -0.312 3.622 3.960 -0.044 0.000 0.267 554 G HA3 -0.312 3.622 3.960 -0.044 0.000 0.267 554 G C 0.347 175.100 174.900 -0.245 0.000 0.975 554 G CA 1.442 46.460 45.100 -0.137 0.000 0.644 554 G HN 1.530 nan 8.290 nan 0.000 0.537 555 Q N 0.880 120.560 119.800 -0.200 0.000 2.331 555 Q HA 0.493 4.807 4.340 -0.044 0.000 0.257 555 Q C -2.293 173.596 176.000 -0.184 0.000 0.957 555 Q CA -2.168 53.467 55.803 -0.280 0.000 0.923 555 Q CB 1.592 30.198 28.738 -0.220 0.000 1.212 555 Q HN 0.230 nan 8.270 nan 0.000 0.443 556 P HA -0.056 nan 4.420 nan 0.000 0.271 556 P C -1.167 176.055 177.300 -0.130 0.000 1.244 556 P CA 0.068 62.919 63.100 -0.414 0.000 0.793 556 P CB 0.214 31.532 31.700 -0.637 0.000 0.984 557 Y N -1.620 118.739 120.300 0.099 0.000 2.357 557 Y HA 0.315 4.838 4.550 -0.045 0.000 0.340 557 Y C 0.578 176.599 175.900 0.202 0.000 1.260 557 Y CA -0.778 57.405 58.100 0.138 0.000 1.425 557 Y CB -0.640 37.854 38.460 0.056 0.000 1.326 557 Y HN 0.212 nan 8.280 nan 0.000 0.580 558 D N 0.313 120.975 120.400 0.438 0.000 2.358 558 D HA 0.251 4.865 4.640 -0.044 0.000 0.244 558 D C 0.351 176.950 176.300 0.498 0.000 1.163 558 D CA 0.315 54.534 54.000 0.365 0.000 0.945 558 D CB 1.329 42.306 40.800 0.294 0.000 1.152 558 D HN 0.824 nan 8.370 nan 0.000 0.451 559 T N -2.848 111.945 114.554 0.397 0.000 2.718 559 T HA 0.797 5.120 4.350 -0.044 0.000 0.267 559 T C 0.381 175.391 174.700 0.517 0.000 0.957 559 T CA -0.054 62.290 62.100 0.408 0.000 1.025 559 T CB 1.926 70.951 68.868 0.261 0.000 1.355 559 T HN 0.580 nan 8.240 nan 0.000 0.572 560 G N -0.757 108.302 108.800 0.431 0.000 2.302 560 G HA2 0.436 4.370 3.960 -0.044 0.000 0.264 560 G HA3 0.436 4.370 3.960 -0.044 0.000 0.264 560 G C -0.983 174.136 174.900 0.365 0.000 1.335 560 G CA 0.021 45.370 45.100 0.415 0.000 0.982 560 G HN 1.950 nan 8.290 nan 0.000 0.473 561 V N -1.988 118.155 119.914 0.381 0.000 3.040 561 V HA 0.926 5.019 4.120 -0.044 0.000 0.312 561 V C -0.291 175.978 176.094 0.292 0.000 1.115 561 V CA -1.186 61.267 62.300 0.255 0.000 0.998 561 V CB 1.765 33.686 31.823 0.164 0.000 1.042 561 V HN 0.969 nan 8.190 nan 0.000 0.433 562 L N 2.702 124.044 121.223 0.198 0.000 2.346 562 L HA 0.649 4.963 4.340 -0.044 0.000 0.276 562 L C -0.862 176.120 176.870 0.187 0.000 1.006 562 L CA -0.534 54.421 54.840 0.191 0.000 0.817 562 L CB 2.011 44.196 42.059 0.209 0.000 1.272 562 L HN 0.568 nan 8.230 nan 0.000 0.421 563 I N 3.419 124.065 120.570 0.126 0.000 2.354 563 I HA 0.489 4.633 4.170 -0.044 0.000 0.292 563 I C -0.638 175.477 176.117 -0.005 0.000 0.989 563 I CA -0.641 60.693 61.300 0.056 0.000 1.188 563 I CB 2.035 40.065 38.000 0.050 0.000 1.342 563 I HN 0.224 nan 8.210 nan 0.000 0.457 564 V N 7.383 127.226 119.914 -0.119 0.000 2.612 564 V HA 0.402 4.496 4.120 -0.044 0.000 0.301 564 V C -0.235 175.749 176.094 -0.183 0.000 1.059 564 V CA -0.416 61.765 62.300 -0.199 0.000 0.886 564 V CB 1.485 33.030 31.823 -0.463 0.000 1.007 564 V HN 0.917 nan 8.190 nan 0.000 0.426 565 N N 4.549 123.176 118.700 -0.122 0.000 2.714 565 N HA -0.187 4.526 4.740 -0.044 0.000 0.250 565 N C 0.936 176.396 175.510 -0.083 0.000 1.117 565 N CA 1.500 54.491 53.050 -0.098 0.000 0.719 565 N CB -1.227 37.195 38.487 -0.109 0.000 1.081 565 N HN 1.978 nan 8.380 nan 0.000 0.557 566 G N -0.339 108.415 108.800 -0.077 0.000 2.198 566 G HA2 -0.334 3.599 3.960 -0.044 0.000 0.257 566 G HA3 -0.334 3.599 3.960 -0.044 0.000 0.257 566 G C -0.168 174.694 174.900 -0.063 0.000 1.042 566 G CA 0.431 45.492 45.100 -0.065 0.000 0.791 566 G HN 0.479 nan 8.290 nan 0.000 0.502 567 R N 0.424 120.878 120.500 -0.077 0.000 2.435 567 R HA 0.255 4.568 4.340 -0.044 0.000 0.308 567 R C -0.323 175.945 176.300 -0.054 0.000 0.975 567 R CA -0.518 55.537 56.100 -0.075 0.000 0.867 567 R CB 0.890 31.120 30.300 -0.116 0.000 1.171 567 R HN 0.493 nan 8.270 nan 0.000 0.470 568 E N 2.746 122.937 120.200 -0.016 0.000 2.223 568 E HA 0.178 4.502 4.350 -0.044 0.000 0.282 568 E C -0.525 176.102 176.600 0.044 0.000 1.046 568 E CA -0.230 56.184 56.400 0.024 0.000 0.857 568 E CB 1.755 31.473 29.700 0.031 0.000 1.055 568 E HN 0.159 nan 8.360 nan 0.000 0.409 569 V N 4.655 124.628 119.914 0.097 0.000 2.376 569 V HA 0.140 4.233 4.120 -0.044 0.000 0.287 569 V C 0.045 176.203 176.094 0.106 0.000 1.015 569 V CA -0.999 61.377 62.300 0.127 0.000 0.834 569 V CB 1.143 33.122 31.823 0.259 0.000 1.001 569 V HN 0.597 nan 8.190 nan 0.000 0.428 570 K N 2.712 123.148 120.400 0.061 0.000 2.550 570 K HA 0.177 4.471 4.320 -0.044 0.000 0.280 570 K C -0.334 176.252 176.600 -0.023 0.000 0.987 570 K CA 0.142 56.453 56.287 0.040 0.000 1.048 570 K CB 0.608 33.122 32.500 0.024 0.000 0.879 570 K HN 0.475 nan 8.250 nan 0.000 0.491 571 V N 3.067 122.963 119.914 -0.030 0.000 2.394 571 V HA 0.105 4.199 4.120 -0.044 0.000 0.282 571 V C 1.001 177.035 176.094 -0.099 0.000 1.031 571 V CA -0.234 61.972 62.300 -0.156 0.000 0.881 571 V CB 1.374 32.996 31.823 -0.336 0.000 0.982 571 V HN 1.056 nan 8.190 nan 0.000 0.451 572 T N -0.189 114.240 114.554 -0.207 0.000 3.003 572 T HA 0.297 4.621 4.350 -0.044 0.000 0.261 572 T C 0.398 174.862 174.700 -0.394 0.000 1.003 572 T CA -0.214 61.780 62.100 -0.176 0.000 0.917 572 T CB 0.095 68.868 68.868 -0.158 0.000 1.084 572 T HN 0.485 nan 8.240 nan 0.000 0.522 573 N N 0.073 118.421 118.700 -0.587 0.000 2.636 573 N HA 0.442 5.156 4.740 -0.044 0.000 0.261 573 N C -2.336 172.860 175.510 -0.523 0.000 1.195 573 N CA -0.328 52.135 53.050 -0.978 0.000 0.902 573 N CB 2.426 40.501 38.487 -0.687 0.000 1.627 573 N HN 0.016 nan 8.380 nan 0.000 0.491 574 V N 2.771 122.463 119.914 -0.371 0.000 2.559 574 V HA 0.397 4.491 4.120 -0.044 0.000 0.289 574 V C -0.802 175.261 176.094 -0.051 0.000 1.036 574 V CA -0.746 61.468 62.300 -0.143 0.000 0.887 574 V CB 1.524 33.262 31.823 -0.143 0.000 1.022 574 V HN 0.534 nan 8.190 nan 0.000 0.442 575 Q N 2.562 122.356 119.800 -0.011 0.000 2.378 575 Q HA 0.631 4.945 4.340 -0.044 0.000 0.276 575 Q C -0.764 175.138 176.000 -0.164 0.000 1.083 575 Q CA -0.825 54.916 55.803 -0.102 0.000 0.856 575 Q CB 3.022 31.656 28.738 -0.173 0.000 1.383 575 Q HN 0.642 nan 8.270 nan 0.000 0.458 576 K N 0.572 120.885 120.400 -0.144 0.000 2.345 576 K HA 0.560 4.853 4.320 -0.044 0.000 0.255 576 K C -1.478 175.063 176.600 -0.098 0.000 0.934 576 K CA -0.503 55.719 56.287 -0.109 0.000 0.801 576 K CB 1.343 33.796 32.500 -0.079 0.000 1.137 576 K HN 0.337 nan 8.250 nan 0.000 0.424 577 V N 3.886 123.747 119.914 -0.087 0.000 2.419 577 V HA 0.444 4.538 4.120 -0.044 0.000 0.287 577 V C 0.745 176.823 176.094 -0.026 0.000 1.017 577 V CA -0.096 62.164 62.300 -0.067 0.000 0.844 577 V CB 0.376 32.137 31.823 -0.102 0.000 1.011 577 V HN 1.170 nan 8.190 nan 0.000 0.429 578 G N 5.391 114.192 108.800 0.002 0.000 2.596 578 G HA2 -0.330 3.603 3.960 -0.044 0.000 0.304 578 G HA3 -0.330 3.603 3.960 -0.044 0.000 0.304 578 G C 0.551 175.470 174.900 0.030 0.000 1.189 578 G CA 0.845 45.959 45.100 0.024 0.000 0.986 578 G HN 0.663 nan 8.290 nan 0.000 0.548 579 K N -0.386 120.031 120.400 0.028 0.000 2.373 579 K HA 0.538 4.832 4.320 -0.044 0.000 0.202 579 K C 0.023 176.638 176.600 0.025 0.000 1.025 579 K CA 0.020 56.329 56.287 0.037 0.000 1.115 579 K CB 1.136 33.657 32.500 0.035 0.000 0.858 579 K HN 0.259 nan 8.250 nan 0.000 0.525 580 V N 2.673 122.591 119.914 0.007 0.000 2.370 580 V HA 0.320 4.414 4.120 -0.044 0.000 0.283 580 V C -0.277 175.805 176.094 -0.022 0.000 1.023 580 V CA -1.056 61.245 62.300 0.002 0.000 0.857 580 V CB 1.073 32.893 31.823 -0.005 0.000 0.985 580 V HN 0.179 nan 8.190 nan 0.000 0.443 581 I N 6.466 127.032 120.570 -0.007 0.000 2.428 581 I HA 0.701 4.844 4.170 -0.044 0.000 0.296 581 I C -0.238 175.848 176.117 -0.052 0.000 0.985 581 I CA -0.154 61.108 61.300 -0.064 0.000 1.260 581 I CB 1.261 39.206 38.000 -0.092 0.000 1.389 581 I HN 0.668 nan 8.210 nan 0.000 0.484 582 I N 3.228 123.737 120.570 -0.101 0.000 2.474 582 I HA 0.514 4.658 4.170 -0.044 0.000 0.294 582 I C -1.208 174.996 176.117 0.145 0.000 1.005 582 I CA -0.651 60.691 61.300 0.069 0.000 1.113 582 I CB 1.488 39.456 38.000 -0.053 0.000 1.289 582 I HN 0.589 nan 8.210 nan 0.000 0.436 583 H N 3.607 122.781 119.070 0.174 0.000 2.541 583 H HA 0.400 4.927 4.556 -0.047 0.000 0.316 583 H C -0.622 174.548 175.328 -0.263 0.000 1.043 583 H CA -0.707 55.290 56.048 -0.086 0.000 1.232 583 H CB 1.375 30.956 29.762 -0.301 0.000 1.406 583 H HN 0.516 nan 8.280 nan 0.000 0.469 584 K N 3.705 123.755 120.400 -0.584 0.000 2.310 584 K HA 0.314 4.607 4.320 -0.044 0.000 0.290 584 K C -0.724 175.523 176.600 -0.589 0.000 1.077 584 K CA -0.491 55.150 56.287 -1.077 0.000 0.922 584 K CB 0.081 31.632 32.500 -1.581 0.000 1.057 584 K HN 0.460 nan 8.250 nan 0.000 0.479 585 V N 0.753 120.380 119.914 -0.479 0.000 2.881 585 V HA 0.396 4.490 4.120 -0.044 0.000 0.316 585 V C 0.681 176.644 176.094 -0.217 0.000 1.070 585 V CA -0.623 61.492 62.300 -0.308 0.000 0.976 585 V CB 1.887 33.515 31.823 -0.326 0.000 1.038 585 V HN 0.860 nan 8.190 nan 0.000 0.446 586 E N 0.275 120.408 120.200 -0.112 0.000 2.358 586 E HA -0.016 4.308 4.350 -0.044 0.000 0.195 586 E C -0.302 176.284 176.600 -0.023 0.000 1.010 586 E CA 1.020 57.377 56.400 -0.070 0.000 0.856 586 E CB 0.308 29.985 29.700 -0.038 0.000 0.795 586 E HN 0.840 nan 8.360 nan 0.000 0.504 587 D N -0.546 119.875 120.400 0.035 0.000 2.429 587 D HA 0.073 4.687 4.640 -0.044 0.000 0.255 587 D C -1.992 174.414 176.300 0.177 0.000 1.257 587 D CA -1.901 52.148 54.000 0.082 0.000 0.890 587 D CB 1.095 41.943 40.800 0.080 0.000 1.267 587 D HN -0.171 nan 8.370 nan 0.000 0.521 588 P HA 0.014 nan 4.420 nan 0.000 0.223 588 P C 1.332 178.744 177.300 0.188 0.000 1.151 588 P CA 0.460 63.635 63.100 0.125 0.000 0.787 588 P CB 0.310 32.025 31.700 0.024 0.000 0.788 589 G N 0.160 109.028 108.800 0.115 0.000 2.679 589 G HA2 -0.008 3.926 3.960 -0.044 0.000 0.212 589 G HA3 -0.008 3.926 3.960 -0.044 0.000 0.212 589 G C 1.557 176.482 174.900 0.043 0.000 1.137 589 G CA 0.586 45.729 45.100 0.072 0.000 0.787 589 G HN 0.364 nan 8.290 nan 0.000 0.534 590 A N -0.182 122.663 122.820 0.041 0.000 2.072 590 A HA 0.510 4.803 4.320 -0.044 0.000 0.216 590 A C 0.349 177.709 177.584 -0.374 0.000 1.156 590 A CA 0.057 51.966 52.037 -0.213 0.000 0.701 590 A CB -0.039 18.732 19.000 -0.383 0.000 0.816 590 A HN 0.214 nan 8.150 nan 0.000 0.458 591 F N 0.121 120.061 119.950 -0.018 0.000 2.480 591 F HA 0.590 5.091 4.527 -0.044 0.000 0.329 591 F C 0.245 176.042 175.800 -0.006 0.000 1.091 591 F CA -0.791 57.201 58.000 -0.013 0.000 0.972 591 F CB 1.667 40.656 39.000 -0.018 0.000 1.150 591 F HN -0.220 nan 8.300 nan 0.000 0.467 592 K N 1.164 121.659 120.400 0.158 0.000 2.477 592 K HA 0.229 4.523 4.320 -0.044 0.000 0.255 592 K C -0.951 175.704 176.600 0.092 0.000 0.952 592 K CA -1.029 55.318 56.287 0.099 0.000 0.826 592 K CB 2.213 34.743 32.500 0.051 0.000 1.331 592 K HN 0.701 nan 8.250 nan 0.000 0.437 593 E N 0.033 120.275 120.200 0.069 0.000 2.608 593 E HA 0.031 4.354 4.350 -0.044 0.000 0.259 593 E C 0.675 177.305 176.600 0.049 0.000 0.951 593 E CA 1.692 58.126 56.400 0.056 0.000 0.945 593 E CB 0.035 29.759 29.700 0.040 0.000 0.916 593 E HN 0.751 nan 8.360 nan 0.000 0.477 594 G N 3.653 112.484 108.800 0.052 0.000 2.199 594 G HA2 -0.336 3.597 3.960 -0.044 0.000 0.254 594 G HA3 -0.336 3.597 3.960 -0.044 0.000 0.254 594 G C 0.325 175.253 174.900 0.047 0.000 0.982 594 G CA 0.242 45.368 45.100 0.044 0.000 0.632 594 G HN 0.562 nan 8.290 nan 0.000 0.529 595 M N 1.048 120.684 119.600 0.059 0.000 2.228 595 M HA 0.507 4.961 4.480 -0.044 0.000 0.351 595 M C 0.464 176.805 176.300 0.069 0.000 1.233 595 M CA 0.193 55.526 55.300 0.056 0.000 1.129 595 M CB 0.358 32.996 32.600 0.063 0.000 1.604 595 M HN 0.175 nan 8.290 nan 0.000 0.457 596 I N 5.311 125.911 120.570 0.050 0.000 2.315 596 I HA 0.307 4.451 4.170 -0.044 0.000 0.291 596 I C -0.382 175.770 176.117 0.057 0.000 1.006 596 I CA -0.707 60.627 61.300 0.058 0.000 1.265 596 I CB 0.767 38.795 38.000 0.047 0.000 1.387 596 I HN 0.420 nan 8.210 nan 0.000 0.475 597 V N 2.385 122.342 119.914 0.073 0.000 2.919 597 V HA 0.516 4.610 4.120 -0.044 0.000 0.316 597 V C -0.867 175.227 176.094 -0.000 0.000 1.077 597 V CA -0.871 61.471 62.300 0.070 0.000 0.977 597 V CB 1.767 33.685 31.823 0.158 0.000 1.039 597 V HN 0.721 nan 8.190 nan 0.000 0.441 598 H N 1.304 120.308 119.070 -0.111 0.000 2.638 598 H HA 0.692 5.223 4.556 -0.042 0.000 0.303 598 H C 0.404 175.536 175.328 -0.326 0.000 1.034 598 H CA 0.389 56.303 56.048 -0.224 0.000 1.225 598 H CB 0.812 30.494 29.762 -0.133 0.000 1.394 598 H HN 1.226 nan 8.280 nan 0.000 0.477 599 G N 3.821 111.984 108.800 -1.062 0.000 2.432 599 G HA2 0.274 4.208 3.960 -0.044 0.000 0.257 599 G HA3 0.274 4.208 3.960 -0.044 0.000 0.257 599 G C -0.855 173.725 174.900 -0.534 0.000 1.238 599 G CA -0.575 43.954 45.100 -0.952 0.000 0.838 599 G HN 0.641 nan 8.290 nan 0.000 0.547 600 K N 2.683 123.051 120.400 -0.055 0.000 2.668 600 K HA 0.269 4.562 4.320 -0.044 0.000 0.246 600 K C -0.227 176.391 176.600 0.029 0.000 0.976 600 K CA -0.800 55.499 56.287 0.019 0.000 0.902 600 K CB 0.839 33.405 32.500 0.110 0.000 1.172 600 K HN 0.272 nan 8.250 nan 0.000 0.452 601 I N 2.196 122.714 120.570 -0.087 0.000 2.696 601 I HA 0.014 4.158 4.170 -0.044 0.000 0.284 601 I C 0.595 176.778 176.117 0.111 0.000 1.129 601 I CA -0.135 61.099 61.300 -0.108 0.000 1.410 601 I CB 0.581 38.547 38.000 -0.057 0.000 1.399 601 I HN 0.705 nan 8.210 nan 0.000 0.579 602 D N 5.654 126.135 120.400 0.135 0.000 2.348 602 D HA -0.092 4.522 4.640 -0.044 0.000 0.259 602 D C 0.800 177.190 176.300 0.150 0.000 1.296 602 D CA 0.006 54.089 54.000 0.137 0.000 0.931 602 D CB 0.283 41.142 40.800 0.099 0.000 1.067 602 D HN 0.543 nan 8.370 nan 0.000 0.503 603 W N 4.554 125.841 121.300 -0.021 0.000 2.418 603 W HA -0.134 4.498 4.660 -0.047 0.000 0.292 603 W C 1.343 177.833 176.519 -0.048 0.000 1.213 603 W CA 0.351 57.680 57.345 -0.027 0.000 1.283 603 W CB 0.307 29.772 29.460 0.009 0.000 1.119 603 W HN 0.416 nan 8.180 nan 0.000 0.542 604 K N 0.164 120.524 120.400 -0.065 0.000 2.009 604 K HA -0.271 4.023 4.320 -0.044 0.000 0.210 604 K C 2.210 178.625 176.600 -0.308 0.000 1.049 604 K CA 1.843 58.024 56.287 -0.178 0.000 0.929 604 K CB -0.565 31.895 32.500 -0.066 0.000 0.714 604 K HN 0.063 nan 8.250 nan 0.000 0.440 605 R N 1.167 121.498 120.500 -0.282 0.000 2.091 605 R HA -0.197 4.116 4.340 -0.044 0.000 0.238 605 R C 2.381 178.278 176.300 -0.671 0.000 1.136 605 R CA 1.766 57.601 56.100 -0.442 0.000 0.959 605 R CB -0.109 30.009 30.300 -0.303 0.000 0.856 605 R HN -0.006 nan 8.270 nan 0.000 0.437 606 R N 0.690 120.872 120.500 -0.531 0.000 2.070 606 R HA -0.123 4.191 4.340 -0.044 0.000 0.233 606 R C 2.139 178.018 176.300 -0.701 0.000 1.137 606 R CA 1.761 57.508 56.100 -0.588 0.000 0.945 606 R CB -0.823 29.163 30.300 -0.523 0.000 0.845 606 R HN 0.336 nan 8.270 nan 0.000 0.430 607 I N 0.845 120.868 120.570 -0.912 0.000 2.208 607 I HA -0.273 3.871 4.170 -0.044 0.000 0.245 607 I C 1.997 177.899 176.117 -0.359 0.000 1.097 607 I CA 1.699 62.576 61.300 -0.705 0.000 1.363 607 I CB -0.144 37.438 38.000 -0.696 0.000 1.051 607 I HN 0.347 nan 8.210 nan 0.000 0.413 608 Q N -0.927 118.682 119.800 -0.318 0.000 2.224 608 Q HA -0.210 4.104 4.340 -0.044 0.000 0.203 608 Q C 1.995 178.000 176.000 0.009 0.000 0.970 608 Q CA 1.780 57.507 55.803 -0.126 0.000 0.865 608 Q CB -0.200 28.448 28.738 -0.150 0.000 0.922 608 Q HN 0.694 nan 8.270 nan 0.000 0.445 609 H N -0.684 118.260 119.070 -0.210 0.000 2.333 609 H HA -0.030 4.499 4.556 -0.045 0.000 0.302 609 H C 2.095 177.313 175.328 -0.183 0.000 1.075 609 H CA 0.971 56.889 56.048 -0.216 0.000 1.348 609 H CB 0.065 29.649 29.762 -0.298 0.000 1.393 609 H HN 0.196 nan 8.280 nan 0.000 0.509 610 M N 0.560 120.067 119.600 -0.156 0.000 2.088 610 M HA -0.257 4.197 4.480 -0.044 0.000 0.256 610 M C 2.326 178.553 176.300 -0.121 0.000 1.071 610 M CA 1.714 56.871 55.300 -0.238 0.000 1.097 610 M CB -0.389 32.014 32.600 -0.328 0.000 1.315 610 M HN 0.246 nan 8.290 nan 0.000 0.406 611 R N -0.779 119.679 120.500 -0.070 0.000 2.083 611 R HA -0.168 4.145 4.340 -0.044 0.000 0.237 611 R C 1.980 178.259 176.300 -0.035 0.000 1.137 611 R CA 1.797 57.867 56.100 -0.050 0.000 0.951 611 R CB -0.694 29.561 30.300 -0.076 0.000 0.851 611 R HN 0.511 nan 8.270 nan 0.000 0.434 612 H N -1.549 117.531 119.070 0.016 0.000 2.428 612 H HA -0.066 4.463 4.556 -0.045 0.000 0.296 612 H C 1.928 177.348 175.328 0.153 0.000 1.062 612 H CA 1.596 57.681 56.048 0.062 0.000 1.350 612 H CB -0.114 29.585 29.762 -0.105 0.000 1.403 612 H HN 0.385 nan 8.280 nan 0.000 0.533 613 H N -0.712 118.374 119.070 0.027 0.000 2.333 613 H HA -0.094 4.435 4.556 -0.044 0.000 0.302 613 H C 1.676 177.042 175.328 0.065 0.000 1.075 613 H CA 1.468 57.494 56.048 -0.037 0.000 1.348 613 H CB 0.399 29.948 29.762 -0.356 0.000 1.393 613 H HN 0.225 nan 8.280 nan 0.000 0.509 614 T N -0.554 114.059 114.554 0.099 0.000 2.788 614 T HA -0.118 4.206 4.350 -0.044 0.000 0.268 614 T C 2.095 176.931 174.700 0.227 0.000 1.044 614 T CA 0.875 63.080 62.100 0.174 0.000 1.139 614 T CB -0.736 68.197 68.868 0.108 0.000 0.867 614 T HN 0.591 nan 8.240 nan 0.000 0.454 615 G N 1.484 110.399 108.800 0.192 0.000 2.476 615 G HA2 -0.272 3.662 3.960 -0.044 0.000 0.218 615 G HA3 -0.272 3.662 3.960 -0.044 0.000 0.218 615 G C 1.698 176.699 174.900 0.168 0.000 1.164 615 G CA 1.577 46.779 45.100 0.171 0.000 0.768 615 G HN 0.459 nan 8.290 nan 0.000 0.560 616 T N -0.064 114.719 114.554 0.381 0.000 2.803 616 T HA -0.089 4.234 4.350 -0.044 0.000 0.269 616 T C 1.980 176.810 174.700 0.217 0.000 1.052 616 T CA 1.294 63.599 62.100 0.343 0.000 1.136 616 T CB -0.328 68.797 68.868 0.429 0.000 0.864 616 T HN 0.511 nan 8.240 nan 0.000 0.467 617 H N -0.185 118.994 119.070 0.182 0.000 2.372 617 H HA 0.076 4.606 4.556 -0.044 0.000 0.301 617 H C 2.488 177.914 175.328 0.163 0.000 1.065 617 H CA 0.918 57.050 56.048 0.140 0.000 1.364 617 H CB -0.083 29.769 29.762 0.150 0.000 1.406 617 H HN 0.172 nan 8.280 nan 0.000 0.521 618 V N 1.483 121.573 119.914 0.294 0.000 2.287 618 V HA -0.264 3.830 4.120 -0.044 0.000 0.248 618 V C 2.632 178.915 176.094 0.314 0.000 1.053 618 V CA 1.451 63.929 62.300 0.296 0.000 1.027 618 V CB -0.660 31.191 31.823 0.048 0.000 0.646 618 V HN 0.181 nan 8.190 nan 0.000 0.447 619 L N -0.756 120.493 121.223 0.043 0.000 1.990 619 L HA -0.241 4.073 4.340 -0.044 0.000 0.213 619 L C 2.373 179.219 176.870 -0.040 0.000 1.072 619 L CA 2.621 57.408 54.840 -0.089 0.000 0.755 619 L CB -0.608 41.247 42.059 -0.340 0.000 0.889 619 L HN 0.358 nan 8.230 nan 0.000 0.432 620 M N -0.617 118.946 119.600 -0.060 0.000 2.117 620 M HA -0.070 4.383 4.480 -0.044 0.000 0.262 620 M C 2.067 178.226 176.300 -0.235 0.000 1.065 620 M CA 2.036 57.244 55.300 -0.155 0.000 1.114 620 M CB -1.205 31.269 32.600 -0.210 0.000 1.361 620 M HN 0.240 nan 8.290 nan 0.000 0.408 621 G N -0.965 107.661 108.800 -0.289 0.000 2.432 621 G HA2 -0.097 3.837 3.960 -0.044 0.000 0.219 621 G HA3 -0.097 3.837 3.960 -0.044 0.000 0.219 621 G C 1.510 176.014 174.900 -0.659 0.000 1.135 621 G CA 1.004 45.589 45.100 -0.857 0.000 0.767 621 G HN 0.672 nan 8.290 nan 0.000 0.550 622 A N 0.410 123.230 122.820 0.001 0.000 1.897 622 A HA 0.225 4.519 4.320 -0.044 0.000 0.215 622 A C 2.412 179.963 177.584 -0.056 0.000 1.181 622 A CA 0.961 53.074 52.037 0.126 0.000 0.620 622 A CB -0.332 18.813 19.000 0.242 0.000 0.821 622 A HN 0.327 nan 8.150 nan 0.000 0.443 623 L N -0.630 120.530 121.223 -0.107 0.000 2.017 623 L HA -0.171 4.143 4.340 -0.044 0.000 0.208 623 L C 2.539 179.298 176.870 -0.185 0.000 1.073 623 L CA 1.150 55.901 54.840 -0.149 0.000 0.745 623 L CB -0.655 41.305 42.059 -0.165 0.000 0.894 623 L HN 0.230 nan 8.230 nan 0.000 0.432 624 V N -0.055 119.725 119.914 -0.224 0.000 2.324 624 V HA -0.335 3.759 4.120 -0.044 0.000 0.250 624 V C 2.664 178.656 176.094 -0.170 0.000 1.060 624 V CA 1.961 64.127 62.300 -0.222 0.000 1.042 624 V CB -0.516 31.145 31.823 -0.270 0.000 0.650 624 V HN 0.407 nan 8.190 nan 0.000 0.450 625 R N -1.069 119.316 120.500 -0.192 0.000 2.115 625 R HA -0.053 4.261 4.340 -0.044 0.000 0.226 625 R C 2.059 178.334 176.300 -0.041 0.000 1.100 625 R CA 1.160 57.189 56.100 -0.119 0.000 0.980 625 R CB -0.214 30.002 30.300 -0.139 0.000 0.875 625 R HN 0.424 nan 8.270 nan 0.000 0.445 626 V N 0.467 120.358 119.914 -0.039 0.000 2.599 626 V HA -0.075 4.018 4.120 -0.044 0.000 0.245 626 V C 1.946 178.042 176.094 0.004 0.000 1.046 626 V CA 1.278 63.575 62.300 -0.006 0.000 1.065 626 V CB -0.134 31.685 31.823 -0.008 0.000 0.703 626 V HN 0.217 nan 8.190 nan 0.000 0.464 627 L N -0.473 120.723 121.223 -0.045 0.000 2.221 627 L HA 0.537 4.850 4.340 -0.044 0.000 0.202 627 L C 1.082 178.058 176.870 0.176 0.000 1.074 627 L CA 1.047 55.885 54.840 -0.004 0.000 0.795 627 L CB -0.195 41.683 42.059 -0.302 0.000 0.960 627 L HN 0.512 nan 8.230 nan 0.000 0.458 628 G N -0.765 108.063 108.800 0.047 0.000 2.339 628 G HA2 -0.052 3.881 3.960 -0.044 0.000 0.381 628 G HA3 -0.052 3.881 3.960 -0.044 0.000 0.381 628 G C -0.309 174.598 174.900 0.013 0.000 1.400 628 G CA -0.725 44.469 45.100 0.157 0.000 1.002 628 G HN -0.069 nan 8.290 nan 0.000 0.633 629 R N -0.261 120.322 120.500 0.138 0.000 2.189 629 R HA -0.047 4.267 4.340 -0.044 0.000 0.223 629 R C 2.149 178.558 176.300 0.182 0.000 1.092 629 R CA 1.335 57.502 56.100 0.112 0.000 0.989 629 R CB -0.256 30.131 30.300 0.145 0.000 0.876 629 R HN 0.764 nan 8.270 nan 0.000 0.457 630 H N -0.710 118.484 119.070 0.206 0.000 2.568 630 H HA 0.023 4.553 4.556 -0.044 0.000 0.281 630 H C 0.036 175.547 175.328 0.304 0.000 1.028 630 H CA 0.318 56.513 56.048 0.245 0.000 1.199 630 H CB -0.429 29.459 29.762 0.210 0.000 1.352 630 H HN -0.098 nan 8.280 nan 0.000 0.605 631 V N 2.460 122.220 119.914 -0.257 0.000 2.427 631 V HA 0.024 4.117 4.120 -0.044 0.000 0.268 631 V C -0.314 175.842 176.094 0.103 0.000 1.046 631 V CA -0.041 62.146 62.300 -0.187 0.000 0.970 631 V CB 0.561 32.189 31.823 -0.324 0.000 1.001 631 V HN 0.425 nan 8.190 nan 0.000 0.476 632 W N 4.807 126.077 121.300 -0.050 0.000 2.883 632 W HA 0.361 4.994 4.660 -0.045 0.000 0.335 632 W C -0.060 176.459 176.519 -0.001 0.000 1.083 632 W CA -0.858 56.482 57.345 -0.009 0.000 1.233 632 W CB 2.003 31.483 29.460 0.035 0.000 1.412 632 W HN 0.564 nan 8.180 nan 0.000 0.490 633 Q N 2.145 121.951 119.800 0.011 0.000 2.386 633 Q HA 0.242 4.555 4.340 -0.044 0.000 0.282 633 Q C 0.169 176.288 176.000 0.198 0.000 1.050 633 Q CA 1.479 57.317 55.803 0.058 0.000 0.918 633 Q CB 1.193 29.909 28.738 -0.038 0.000 1.266 633 Q HN 0.540 nan 8.270 nan 0.000 0.423 634 A N 2.720 125.624 122.820 0.139 0.000 2.425 634 A HA 0.493 4.786 4.320 -0.044 0.000 0.201 634 A C 0.177 177.818 177.584 0.095 0.000 1.431 634 A CA 0.554 52.671 52.037 0.134 0.000 1.066 634 A CB 0.929 20.004 19.000 0.124 0.000 1.318 634 A HN 0.817 nan 8.150 nan 0.000 0.534 635 G N -0.886 107.962 108.800 0.081 0.000 2.556 635 G HA2 0.558 4.491 3.960 -0.044 0.000 0.294 635 G HA3 0.558 4.491 3.960 -0.044 0.000 0.294 635 G C -1.136 173.800 174.900 0.060 0.000 1.516 635 G CA 0.412 45.551 45.100 0.065 0.000 0.824 635 G HN 1.290 nan 8.290 nan 0.000 0.535 636 S N -0.186 115.542 115.700 0.046 0.000 2.563 636 S HA 0.691 5.134 4.470 -0.044 0.000 0.279 636 S C -1.652 172.949 174.600 0.002 0.000 1.155 636 S CA -0.507 57.713 58.200 0.035 0.000 0.928 636 S CB 2.257 65.460 63.200 0.006 0.000 1.107 636 S HN 1.116 nan 8.310 nan 0.000 0.462 637 Q N 3.104 122.906 119.800 0.003 0.000 2.295 637 Q HA 0.601 4.914 4.340 -0.044 0.000 0.268 637 Q C -1.699 174.197 176.000 -0.173 0.000 1.010 637 Q CA -0.718 55.044 55.803 -0.068 0.000 0.856 637 Q CB 1.658 30.412 28.738 0.026 0.000 1.349 637 Q HN 0.944 nan 8.270 nan 0.000 0.412 638 L N 0.868 121.869 121.223 -0.370 0.000 2.354 638 L HA 0.965 5.278 4.340 -0.044 0.000 0.264 638 L C -0.549 175.833 176.870 -0.813 0.000 1.008 638 L CA -0.522 53.976 54.840 -0.570 0.000 0.819 638 L CB 1.456 43.276 42.059 -0.398 0.000 1.339 638 L HN 0.806 nan 8.230 nan 0.000 0.420 639 T N -2.497 111.419 114.554 -1.064 0.000 2.724 639 T HA 0.414 4.738 4.350 -0.044 0.000 0.274 639 T C 0.949 175.248 174.700 -0.668 0.000 0.984 639 T CA 0.338 61.905 62.100 -0.887 0.000 1.024 639 T CB 1.061 69.260 68.868 -1.116 0.000 1.320 639 T HN 0.736 nan 8.240 nan 0.000 0.555 640 T N -1.218 113.076 114.554 -0.432 0.000 3.085 640 T HA 0.123 4.447 4.350 -0.044 0.000 0.263 640 T C 0.471 174.945 174.700 -0.377 0.000 1.127 640 T CA 0.720 62.614 62.100 -0.343 0.000 1.103 640 T CB -0.253 68.463 68.868 -0.254 0.000 0.921 640 T HN 0.575 nan 8.240 nan 0.000 0.510 641 D N -0.395 119.716 120.400 -0.482 0.000 2.461 641 D HA 0.185 4.799 4.640 -0.044 0.000 0.266 641 D C 0.492 176.742 176.300 -0.083 0.000 1.085 641 D CA 0.106 53.986 54.000 -0.199 0.000 0.887 641 D CB 0.684 41.467 40.800 -0.028 0.000 1.309 641 D HN 0.632 nan 8.370 nan 0.000 0.498 642 W N 0.423 121.506 121.300 -0.362 0.000 3.042 642 W HA 0.769 5.404 4.660 -0.042 0.000 0.342 642 W C -1.635 174.595 176.519 -0.483 0.000 1.240 642 W CA -1.384 55.786 57.345 -0.292 0.000 1.166 642 W CB 0.820 30.171 29.460 -0.182 0.000 1.469 642 W HN -0.189 nan 8.180 nan 0.000 0.579 643 A N 1.867 124.608 122.820 -0.131 0.000 2.469 643 A HA 0.921 5.214 4.320 -0.044 0.000 0.299 643 A C -1.055 176.513 177.584 -0.026 0.000 1.098 643 A CA -1.211 50.643 52.037 -0.305 0.000 0.737 643 A CB 2.157 20.732 19.000 -0.709 0.000 1.312 643 A HN 0.723 nan 8.150 nan 0.000 0.414 644 R N 0.210 120.819 120.500 0.182 0.000 2.744 644 R HA 0.829 5.142 4.340 -0.044 0.000 0.279 644 R C -2.020 174.423 176.300 0.240 0.000 0.977 644 R CA -0.702 55.536 56.100 0.229 0.000 0.906 644 R CB 1.548 31.970 30.300 0.203 0.000 1.197 644 R HN 0.632 nan 8.270 nan 0.000 0.463 645 L N 2.012 123.395 121.223 0.266 0.000 2.381 645 L HA 0.500 4.814 4.340 -0.044 0.000 0.274 645 L C -1.594 175.348 176.870 0.121 0.000 0.988 645 L CA -0.434 54.517 54.840 0.184 0.000 0.824 645 L CB 1.991 44.167 42.059 0.194 0.000 1.263 645 L HN 0.710 nan 8.230 nan 0.000 0.410 646 D N 5.829 126.284 120.400 0.091 0.000 2.168 646 D HA 0.608 5.221 4.640 -0.044 0.000 0.246 646 D C -0.274 176.074 176.300 0.079 0.000 1.050 646 D CA 0.238 54.286 54.000 0.080 0.000 0.857 646 D CB 1.973 42.818 40.800 0.075 0.000 1.169 646 D HN 0.613 nan 8.370 nan 0.000 0.453 647 I N -2.177 118.443 120.570 0.084 0.000 2.934 647 I HA 0.472 4.615 4.170 -0.044 0.000 0.306 647 I C -0.086 176.119 176.117 0.148 0.000 1.110 647 I CA -1.127 60.231 61.300 0.096 0.000 1.019 647 I CB 2.138 40.159 38.000 0.036 0.000 1.227 647 I HN 0.144 nan 8.210 nan 0.000 0.434 648 S N 2.187 118.003 115.700 0.193 0.000 2.448 648 S HA 0.551 4.995 4.470 -0.044 0.000 0.279 648 S C -0.557 174.258 174.600 0.358 0.000 1.195 648 S CA -0.014 58.330 58.200 0.240 0.000 1.051 648 S CB -0.110 63.234 63.200 0.240 0.000 0.948 648 S HN 0.896 nan 8.310 nan 0.000 0.493 649 H N 1.993 121.191 119.070 0.212 0.000 3.037 649 H HA 0.371 4.901 4.556 -0.044 0.000 0.355 649 H C -0.583 174.866 175.328 0.201 0.000 1.263 649 H CA -1.206 55.001 56.048 0.266 0.000 1.129 649 H CB 0.897 30.726 29.762 0.111 0.000 1.861 649 H HN 0.664 nan 8.280 nan 0.000 0.546 650 Y N 1.034 121.121 120.300 -0.355 0.000 2.485 650 Y HA 0.411 4.934 4.550 -0.044 0.000 0.260 650 Y C -0.304 175.418 175.900 -0.297 0.000 1.173 650 Y CA -0.321 57.620 58.100 -0.265 0.000 1.252 650 Y CB 0.111 38.436 38.460 -0.225 0.000 1.123 650 Y HN 0.449 nan 8.280 nan 0.000 0.524 651 K N -1.191 118.777 120.400 -0.721 0.000 2.672 651 K HA 0.463 4.756 4.320 -0.044 0.000 0.295 651 K C -1.047 175.416 176.600 -0.228 0.000 1.042 651 K CA -1.160 54.892 56.287 -0.390 0.000 0.869 651 K CB 0.877 33.157 32.500 -0.368 0.000 1.541 651 K HN -0.219 nan 8.250 nan 0.000 0.396 652 R N 0.823 121.267 120.500 -0.093 0.000 2.643 652 R HA 0.227 4.541 4.340 -0.044 0.000 0.270 652 R C -0.016 176.301 176.300 0.028 0.000 1.061 652 R CA -0.194 55.900 56.100 -0.010 0.000 1.107 652 R CB -0.099 30.197 30.300 -0.007 0.000 0.999 652 R HN 0.526 nan 8.270 nan 0.000 0.460 653 I N 1.876 122.487 120.570 0.068 0.000 2.416 653 I HA -0.025 4.119 4.170 -0.044 0.000 0.288 653 I C 1.102 177.237 176.117 0.031 0.000 1.051 653 I CA 0.067 61.403 61.300 0.060 0.000 1.375 653 I CB 0.885 38.910 38.000 0.042 0.000 1.407 653 I HN 0.588 nan 8.210 nan 0.000 0.516 654 S N 4.616 120.331 115.700 0.026 0.000 2.603 654 S HA 0.172 4.615 4.470 -0.044 0.000 0.268 654 S C 1.052 175.662 174.600 0.016 0.000 1.317 654 S CA -0.633 57.577 58.200 0.018 0.000 1.012 654 S CB 1.629 64.840 63.200 0.018 0.000 0.926 654 S HN 0.592 nan 8.310 nan 0.000 0.539 655 E N 1.188 121.396 120.200 0.014 0.000 2.114 655 E HA -0.227 4.096 4.350 -0.044 0.000 0.199 655 E C 1.756 178.364 176.600 0.014 0.000 1.008 655 E CA 1.887 58.295 56.400 0.013 0.000 0.810 655 E CB -0.362 29.345 29.700 0.012 0.000 0.739 655 E HN 0.925 nan 8.360 nan 0.000 0.456 656 E N 0.064 120.273 120.200 0.015 0.000 2.047 656 E HA -0.161 4.162 4.350 -0.044 0.000 0.191 656 E C 1.960 178.569 176.600 0.015 0.000 0.987 656 E CA 1.023 57.432 56.400 0.015 0.000 0.799 656 E CB 0.049 29.759 29.700 0.017 0.000 0.752 656 E HN 0.281 nan 8.360 nan 0.000 0.449 657 E N 0.284 120.494 120.200 0.016 0.000 2.118 657 E HA -0.213 4.110 4.350 -0.044 0.000 0.195 657 E C 2.118 178.721 176.600 0.006 0.000 0.992 657 E CA 0.669 57.077 56.400 0.013 0.000 0.804 657 E CB -0.028 29.681 29.700 0.014 0.000 0.741 657 E HN 0.181 nan 8.360 nan 0.000 0.458 658 L N 1.151 122.379 121.223 0.008 0.000 1.989 658 L HA -0.253 4.060 4.340 -0.044 0.000 0.211 658 L C 2.131 179.005 176.870 0.008 0.000 1.071 658 L CA 1.598 56.443 54.840 0.008 0.000 0.749 658 L CB -0.090 41.977 42.059 0.014 0.000 0.890 658 L HN -0.039 nan 8.230 nan 0.000 0.431 659 K N -0.583 119.824 120.400 0.011 0.000 2.147 659 K HA -0.209 4.085 4.320 -0.044 0.000 0.205 659 K C 2.008 178.614 176.600 0.010 0.000 1.049 659 K CA 1.260 57.554 56.287 0.011 0.000 0.936 659 K CB -0.259 32.248 32.500 0.012 0.000 0.722 659 K HN 0.485 nan 8.250 nan 0.000 0.446 660 E N 0.632 120.839 120.200 0.012 0.000 2.106 660 E HA -0.108 4.215 4.350 -0.044 0.000 0.192 660 E C 2.020 178.630 176.600 0.017 0.000 0.984 660 E CA 0.668 57.078 56.400 0.016 0.000 0.806 660 E CB 0.042 29.754 29.700 0.019 0.000 0.750 660 E HN 0.209 nan 8.360 nan 0.000 0.458 661 I N 0.850 121.424 120.570 0.007 0.000 2.233 661 I HA -0.217 3.926 4.170 -0.044 0.000 0.243 661 I C 2.630 178.745 176.117 -0.003 0.000 1.093 661 I CA 1.128 62.430 61.300 0.003 0.000 1.380 661 I CB -0.243 37.743 38.000 -0.022 0.000 1.067 661 I HN 0.176 nan 8.210 nan 0.000 0.413 662 E N 1.037 121.233 120.200 -0.008 0.000 2.110 662 E HA -0.250 4.073 4.350 -0.044 0.000 0.193 662 E C 2.322 178.915 176.600 -0.012 0.000 0.988 662 E CA 1.264 57.656 56.400 -0.014 0.000 0.804 662 E CB -0.004 29.696 29.700 0.001 0.000 0.745 662 E HN 0.391 nan 8.360 nan 0.000 0.458 663 M N 0.051 119.649 119.600 -0.003 0.000 2.067 663 M HA -0.164 4.290 4.480 -0.044 0.000 0.260 663 M C 2.311 178.602 176.300 -0.014 0.000 1.069 663 M CA 0.994 56.290 55.300 -0.007 0.000 1.117 663 M CB -0.180 32.422 32.600 0.002 0.000 1.334 663 M HN 0.215 nan 8.290 nan 0.000 0.407 664 L N 0.360 121.589 121.223 0.010 0.000 2.046 664 L HA -0.109 4.205 4.340 -0.044 0.000 0.208 664 L C 2.492 179.343 176.870 -0.031 0.000 1.077 664 L CA 2.167 57.023 54.840 0.028 0.000 0.747 664 L CB -1.125 41.009 42.059 0.125 0.000 0.896 664 L HN 0.260 nan 8.230 nan 0.000 0.432 665 A N -0.620 122.193 122.820 -0.011 0.000 1.883 665 A HA -0.239 4.054 4.320 -0.044 0.000 0.217 665 A C 2.128 179.637 177.584 -0.124 0.000 1.186 665 A CA 1.946 53.945 52.037 -0.063 0.000 0.624 665 A CB -0.773 18.189 19.000 -0.063 0.000 0.822 665 A HN 0.619 nan 8.150 nan 0.000 0.444 666 N N -0.863 117.787 118.700 -0.085 0.000 2.309 666 N HA -0.140 4.574 4.740 -0.044 0.000 0.182 666 N C 1.908 177.356 175.510 -0.105 0.000 1.018 666 N CA 1.074 54.075 53.050 -0.081 0.000 0.876 666 N CB -0.246 38.213 38.487 -0.047 0.000 0.972 666 N HN 0.584 nan 8.380 nan 0.000 0.434 667 R N 0.752 121.178 120.500 -0.123 0.000 2.092 667 R HA -0.027 4.287 4.340 -0.044 0.000 0.231 667 R C 1.812 177.980 176.300 -0.221 0.000 1.119 667 R CA 0.894 56.909 56.100 -0.141 0.000 0.970 667 R CB -0.056 30.171 30.300 -0.121 0.000 0.864 667 R HN 0.010 nan 8.270 nan 0.000 0.440 668 I N 0.171 120.532 120.570 -0.349 0.000 2.546 668 I HA -0.181 3.962 4.170 -0.044 0.000 0.255 668 I C 2.029 177.968 176.117 -0.296 0.000 1.163 668 I CA 0.717 61.729 61.300 -0.480 0.000 1.457 668 I CB -0.025 37.392 38.000 -0.971 0.000 1.092 668 I HN -0.025 nan 8.210 nan 0.000 0.434 669 V N 0.017 119.808 119.914 -0.206 0.000 2.229 669 V HA -0.309 3.784 4.120 -0.044 0.000 0.243 669 V C 2.480 178.513 176.094 -0.101 0.000 1.042 669 V CA 1.912 64.135 62.300 -0.127 0.000 1.000 669 V CB -0.643 31.127 31.823 -0.087 0.000 0.637 669 V HN 0.430 nan 8.190 nan 0.000 0.446 670 M N -0.102 119.442 119.600 -0.093 0.000 2.192 670 M HA -0.266 4.187 4.480 -0.044 0.000 0.259 670 M C 2.015 178.269 176.300 -0.078 0.000 1.071 670 M CA 1.985 57.242 55.300 -0.072 0.000 1.082 670 M CB -0.605 31.955 32.600 -0.066 0.000 1.373 670 M HN 0.473 nan 8.290 nan 0.000 0.408 671 E N -0.416 119.718 120.200 -0.109 0.000 2.285 671 E HA -0.148 4.175 4.350 -0.044 0.000 0.194 671 E C 0.137 176.684 176.600 -0.088 0.000 0.997 671 E CA 0.447 56.784 56.400 -0.104 0.000 0.845 671 E CB 0.094 29.708 29.700 -0.143 0.000 0.782 671 E HN 0.428 nan 8.360 nan 0.000 0.491 672 D N 0.864 121.210 120.400 -0.089 0.000 2.746 672 D HA -0.170 4.443 4.640 -0.044 0.000 0.236 672 D C -0.866 175.398 176.300 -0.059 0.000 1.129 672 D CA 0.510 54.474 54.000 -0.061 0.000 0.691 672 D CB -0.887 39.890 40.800 -0.038 0.000 1.077 672 D HN 0.148 nan 8.370 nan 0.000 0.432 673 R N 0.605 121.054 120.500 -0.084 0.000 2.643 673 R HA 0.174 4.487 4.340 -0.044 0.000 0.270 673 R C 0.862 177.135 176.300 -0.044 0.000 1.061 673 R CA -0.345 55.715 56.100 -0.067 0.000 1.107 673 R CB 0.499 30.748 30.300 -0.085 0.000 0.999 673 R HN -0.045 nan 8.270 nan 0.000 0.460 674 K N 1.684 122.059 120.400 -0.042 0.000 2.401 674 K HA 0.098 4.392 4.320 -0.044 0.000 0.278 674 K C -0.342 176.227 176.600 -0.050 0.000 1.018 674 K CA -0.037 56.219 56.287 -0.051 0.000 0.981 674 K CB 0.708 33.163 32.500 -0.075 0.000 0.933 674 K HN 0.270 nan 8.250 nan 0.000 0.477 675 V N 3.363 123.252 119.914 -0.041 0.000 2.347 675 V HA 0.323 4.416 4.120 -0.044 0.000 0.280 675 V C 0.351 176.329 176.094 -0.194 0.000 1.021 675 V CA -0.665 61.625 62.300 -0.016 0.000 0.847 675 V CB 1.326 33.223 31.823 0.123 0.000 0.990 675 V HN 0.958 nan 8.190 nan 0.000 0.444 676 T N 1.244 115.649 114.554 -0.249 0.000 2.916 676 T HA 0.852 5.175 4.350 -0.044 0.000 0.292 676 T C -1.164 173.369 174.700 -0.278 0.000 1.064 676 T CA -0.780 60.967 62.100 -0.587 0.000 1.011 676 T CB 2.180 70.795 68.868 -0.422 0.000 1.152 676 T HN 0.715 nan 8.240 nan 0.000 0.510 677 W N 0.332 121.539 121.300 -0.154 0.000 3.107 677 W HA 0.808 5.436 4.660 -0.052 0.000 0.331 677 W C -0.854 175.547 176.519 -0.195 0.000 1.204 677 W CA -0.983 56.225 57.345 -0.229 0.000 1.184 677 W CB 1.027 30.307 29.460 -0.299 0.000 1.421 677 W HN 1.117 nan 8.180 nan 0.000 0.544 678 E N 0.148 120.319 120.200 -0.048 0.000 2.423 678 E HA 0.522 4.846 4.350 -0.044 0.000 0.280 678 E C -1.870 174.643 176.600 -0.144 0.000 1.030 678 E CA -1.130 55.242 56.400 -0.047 0.000 0.812 678 E CB 1.585 31.292 29.700 0.012 0.000 1.313 678 E HN 0.492 nan 8.360 nan 0.000 0.456 679 W N 1.101 122.409 121.300 0.014 0.000 2.438 679 W HA 0.609 5.279 4.660 0.015 0.000 0.324 679 W C -0.452 176.068 176.519 0.002 0.000 1.119 679 W CA -0.491 56.851 57.345 -0.006 0.000 1.221 679 W CB 1.127 30.574 29.460 -0.020 0.000 1.253 679 W HN 0.285 nan 8.180 nan 0.000 0.555 680 L N 4.348 125.712 121.223 0.234 0.000 2.409 680 L HA 0.472 4.785 4.340 -0.044 0.000 0.262 680 L C -2.237 174.704 176.870 0.117 0.000 0.992 680 L CA -2.553 52.368 54.840 0.136 0.000 0.817 680 L CB 2.455 44.562 42.059 0.081 0.000 1.350 680 L HN 0.065 nan 8.230 nan 0.000 0.411 681 P HA 0.019 nan 4.420 nan 0.000 0.263 681 P C 0.319 177.642 177.300 0.039 0.000 1.195 681 P CA 0.003 63.130 63.100 0.045 0.000 0.762 681 P CB 0.772 32.482 31.700 0.017 0.000 0.799 682 R N 2.862 123.390 120.500 0.046 0.000 2.189 682 R HA -0.223 4.090 4.340 -0.044 0.000 0.252 682 R C 1.367 177.696 176.300 0.048 0.000 1.134 682 R CA 2.771 58.904 56.100 0.054 0.000 0.954 682 R CB -0.938 29.385 30.300 0.039 0.000 0.890 682 R HN 0.423 nan 8.270 nan 0.000 0.443 683 T N -0.340 114.240 114.554 0.043 0.000 2.904 683 T HA -0.051 4.272 4.350 -0.044 0.000 0.267 683 T C 1.680 176.364 174.700 -0.025 0.000 1.059 683 T CA 1.544 63.664 62.100 0.033 0.000 1.137 683 T CB -0.218 68.686 68.868 0.060 0.000 0.879 683 T HN 0.445 nan 8.240 nan 0.000 0.467 684 T N 2.425 116.962 114.554 -0.029 0.000 2.652 684 T HA -0.091 4.232 4.350 -0.044 0.000 0.267 684 T C 2.449 177.077 174.700 -0.120 0.000 1.039 684 T CA 1.259 63.318 62.100 -0.067 0.000 1.153 684 T CB -0.741 68.099 68.868 -0.048 0.000 0.863 684 T HN 0.435 nan 8.240 nan 0.000 0.428 685 A N 1.846 124.620 122.820 -0.076 0.000 1.849 685 A HA -0.246 4.047 4.320 -0.044 0.000 0.217 685 A C 2.221 179.726 177.584 -0.132 0.000 1.202 685 A CA 2.193 54.193 52.037 -0.063 0.000 0.629 685 A CB -0.972 18.042 19.000 0.022 0.000 0.834 685 A HN 0.615 nan 8.150 nan 0.000 0.447 686 E N -0.710 119.389 120.200 -0.168 0.000 2.086 686 E HA -0.252 4.072 4.350 -0.044 0.000 0.200 686 E C 2.344 178.722 176.600 -0.369 0.000 1.012 686 E CA 1.558 57.747 56.400 -0.352 0.000 0.812 686 E CB -0.164 29.294 29.700 -0.404 0.000 0.743 686 E HN 0.594 nan 8.360 nan 0.000 0.453 687 Q N 0.324 119.972 119.800 -0.253 0.000 2.172 687 Q HA -0.117 4.196 4.340 -0.044 0.000 0.200 687 Q C 2.001 177.871 176.000 -0.217 0.000 0.964 687 Q CA 0.945 56.625 55.803 -0.205 0.000 0.855 687 Q CB -0.117 28.554 28.738 -0.113 0.000 0.918 687 Q HN 0.206 nan 8.270 nan 0.000 0.444 688 K N -0.278 119.941 120.400 -0.303 0.000 2.031 688 K HA -0.115 4.178 4.320 -0.044 0.000 0.205 688 K C 1.107 177.471 176.600 -0.395 0.000 1.049 688 K CA 1.065 57.090 56.287 -0.437 0.000 0.939 688 K CB 0.168 32.215 32.500 -0.756 0.000 0.717 688 K HN 0.108 nan 8.250 nan 0.000 0.438 689 Y N -0.231 119.978 120.300 -0.153 0.000 2.444 689 Y HA 0.291 4.813 4.550 -0.047 0.000 0.249 689 Y C 0.846 176.639 175.900 -0.178 0.000 1.134 689 Y CA 0.065 58.072 58.100 -0.154 0.000 1.261 689 Y CB 0.574 38.935 38.460 -0.166 0.000 1.143 689 Y HN 0.280 nan 8.280 nan 0.000 0.523 690 G N 0.133 108.858 108.800 -0.126 0.000 2.855 690 G HA2 -0.303 3.631 3.960 -0.044 0.000 0.352 690 G HA3 -0.303 3.631 3.960 -0.044 0.000 0.352 690 G C 0.067 174.831 174.900 -0.226 0.000 1.415 690 G CA -0.250 44.734 45.100 -0.193 0.000 0.871 690 G HN 0.145 nan 8.290 nan 0.000 0.543 691 F N 0.659 120.690 119.950 0.136 0.000 2.802 691 F HA 0.149 4.650 4.527 -0.044 0.000 0.300 691 F C 2.738 178.718 175.800 0.300 0.000 1.168 691 F CA 0.735 58.889 58.000 0.256 0.000 1.433 691 F CB 0.001 39.275 39.000 0.458 0.000 1.115 691 F HN 0.357 nan 8.300 nan 0.000 0.582 692 R N 0.271 120.914 120.500 0.238 0.000 2.261 692 R HA -0.169 4.144 4.340 -0.044 0.000 0.236 692 R C 1.917 178.069 176.300 -0.246 0.000 1.141 692 R CA 0.956 56.972 56.100 -0.139 0.000 1.001 692 R CB -0.680 29.492 30.300 -0.212 0.000 0.866 692 R HN 0.409 nan 8.270 nan 0.000 0.468 693 L N -0.793 120.291 121.223 -0.231 0.000 2.127 693 L HA -0.182 4.131 4.340 -0.044 0.000 0.211 693 L C 0.900 177.646 176.870 -0.208 0.000 1.089 693 L CA 1.271 55.905 54.840 -0.342 0.000 0.757 693 L CB -0.384 41.327 42.059 -0.580 0.000 0.899 693 L HN 0.164 nan 8.230 nan 0.000 0.434 694 Y N 0.245 120.659 120.300 0.191 0.000 2.903 694 Y HA 0.070 4.592 4.550 -0.046 0.000 0.387 694 Y C 1.642 177.698 175.900 0.260 0.000 1.189 694 Y CA -0.806 57.450 58.100 0.260 0.000 1.856 694 Y CB -0.067 38.632 38.460 0.399 0.000 1.917 694 Y HN 0.138 nan 8.280 nan 0.000 0.448 695 Q N 0.677 120.548 119.800 0.119 0.000 2.020 695 Q HA -0.057 4.256 4.340 -0.044 0.000 0.198 695 Q C 2.111 178.186 176.000 0.126 0.000 0.974 695 Q CA 1.238 57.009 55.803 -0.054 0.000 0.829 695 Q CB -0.545 28.044 28.738 -0.249 0.000 0.894 695 Q HN 0.742 nan 8.270 nan 0.000 0.433 696 G N 0.248 109.124 108.800 0.128 0.000 3.234 696 G HA2 0.342 4.276 3.960 -0.044 0.000 0.221 696 G HA3 0.342 4.276 3.960 -0.044 0.000 0.221 696 G C 0.594 175.597 174.900 0.172 0.000 1.229 696 G CA 0.530 45.711 45.100 0.135 0.000 0.909 696 G HN 0.529 nan 8.290 nan 0.000 0.510 697 G N -1.226 107.717 108.800 0.238 0.000 2.542 697 G HA2 -0.103 3.830 3.960 -0.044 0.000 0.235 697 G HA3 -0.103 3.830 3.960 -0.044 0.000 0.235 697 G C -0.428 174.606 174.900 0.224 0.000 1.286 697 G CA -0.235 44.993 45.100 0.213 0.000 0.904 697 G HN 0.912 nan 8.290 nan 0.000 0.577 698 V N 0.352 120.353 119.914 0.145 0.000 2.555 698 V HA 0.685 4.779 4.120 -0.044 0.000 0.302 698 V C 0.716 176.874 176.094 0.107 0.000 1.038 698 V CA -0.081 62.267 62.300 0.080 0.000 0.887 698 V CB 1.309 33.116 31.823 -0.027 0.000 0.991 698 V HN 1.818 nan 8.190 nan 0.000 0.434 699 V N 2.864 122.811 119.914 0.055 0.000 2.398 699 V HA 0.730 4.824 4.120 -0.044 0.000 0.286 699 V C -2.296 173.724 176.094 -0.123 0.000 1.026 699 V CA -1.879 60.452 62.300 0.051 0.000 0.868 699 V CB 1.000 32.894 31.823 0.119 0.000 0.982 699 V HN 0.755 nan 8.190 nan 0.000 0.443 700 P HA 0.653 nan 4.420 nan 0.000 0.275 700 P C 0.284 177.560 177.300 -0.039 0.000 1.270 700 P CA 0.762 63.831 63.100 -0.052 0.000 0.791 700 P CB 0.415 32.231 31.700 0.193 0.000 1.089 701 G N -0.821 107.986 108.800 0.011 0.000 2.742 701 G HA2 -0.116 3.818 3.960 -0.044 0.000 0.686 701 G HA3 -0.116 3.818 3.960 -0.044 0.000 0.686 701 G C 0.364 175.275 174.900 0.017 0.000 1.220 701 G CA -0.731 44.392 45.100 0.039 0.000 0.783 701 G HN 0.410 nan 8.290 nan 0.000 0.646 702 R N 0.227 120.746 120.500 0.032 0.000 2.115 702 R HA 0.010 4.324 4.340 -0.044 0.000 0.230 702 R C 0.794 177.113 176.300 0.031 0.000 1.111 702 R CA 1.300 57.416 56.100 0.027 0.000 0.976 702 R CB 0.169 30.472 30.300 0.005 0.000 0.870 702 R HN 0.676 nan 8.270 nan 0.000 0.445 703 E N 0.942 121.174 120.200 0.053 0.000 2.238 703 E HA 0.357 4.681 4.350 -0.044 0.000 0.267 703 E C -0.617 176.135 176.600 0.254 0.000 0.887 703 E CA -0.544 55.935 56.400 0.132 0.000 0.769 703 E CB 2.366 32.137 29.700 0.119 0.000 1.187 703 E HN 0.092 nan 8.360 nan 0.000 0.416 704 I N -1.395 119.325 120.570 0.250 0.000 2.750 704 I HA 0.551 4.695 4.170 -0.044 0.000 0.308 704 I C -0.322 175.860 176.117 0.109 0.000 1.016 704 I CA -1.080 60.352 61.300 0.219 0.000 1.098 704 I CB 1.953 40.017 38.000 0.107 0.000 1.279 704 I HN 0.268 nan 8.210 nan 0.000 0.454 705 R N 3.702 124.075 120.500 -0.210 0.000 2.230 705 R HA 0.489 4.803 4.340 -0.044 0.000 0.337 705 R C -1.444 174.645 176.300 -0.352 0.000 1.063 705 R CA -0.481 55.218 56.100 -0.669 0.000 0.935 705 R CB 1.138 30.717 30.300 -1.202 0.000 1.121 705 R HN 0.651 nan 8.270 nan 0.000 0.486 706 V N 5.825 125.587 119.914 -0.255 0.000 2.368 706 V HA 0.156 4.250 4.120 -0.044 0.000 0.266 706 V C 0.263 176.248 176.094 -0.181 0.000 1.045 706 V CA -0.605 61.584 62.300 -0.184 0.000 0.899 706 V CB 1.417 33.177 31.823 -0.105 0.000 1.006 706 V HN 0.393 nan 8.190 nan 0.000 0.470 707 V N 5.566 125.359 119.914 -0.201 0.000 2.461 707 V HA 0.398 4.492 4.120 -0.044 0.000 0.275 707 V C 0.121 176.088 176.094 -0.212 0.000 1.047 707 V CA -0.482 61.690 62.300 -0.213 0.000 0.955 707 V CB 1.244 32.787 31.823 -0.467 0.000 0.988 707 V HN 0.884 nan 8.190 nan 0.000 0.471 708 K N 5.121 125.421 120.400 -0.166 0.000 2.397 708 K HA 0.659 4.952 4.320 -0.044 0.000 0.253 708 K C -1.298 175.251 176.600 -0.086 0.000 0.932 708 K CA -0.617 55.568 56.287 -0.170 0.000 0.795 708 K CB 1.536 33.919 32.500 -0.195 0.000 1.159 708 K HN 0.638 nan 8.250 nan 0.000 0.424 709 I N 3.806 124.364 120.570 -0.020 0.000 2.330 709 I HA 0.141 4.285 4.170 -0.044 0.000 0.289 709 I C 0.258 176.425 176.117 0.082 0.000 1.001 709 I CA -0.754 60.579 61.300 0.055 0.000 1.193 709 I CB 1.546 39.648 38.000 0.169 0.000 1.345 709 I HN 0.703 nan 8.210 nan 0.000 0.461 710 E N 7.323 127.544 120.200 0.036 0.000 2.558 710 E HA -0.148 4.176 4.350 -0.044 0.000 0.255 710 E C -0.295 176.364 176.600 0.097 0.000 0.968 710 E CA 0.186 56.606 56.400 0.035 0.000 0.939 710 E CB 0.329 30.030 29.700 0.001 0.000 0.921 710 E HN 0.597 nan 8.360 nan 0.000 0.477 711 D N 3.335 123.789 120.400 0.089 0.000 2.792 711 D HA -0.248 4.365 4.640 -0.044 0.000 0.231 711 D C -0.154 176.289 176.300 0.238 0.000 1.160 711 D CA 1.108 55.181 54.000 0.120 0.000 0.697 711 D CB -1.053 39.811 40.800 0.106 0.000 1.070 711 D HN 0.715 nan 8.370 nan 0.000 0.426 712 W N 0.081 121.351 121.300 -0.051 0.000 4.545 712 W HA 0.058 4.691 4.660 -0.045 0.000 0.198 712 W C -0.387 176.089 176.519 -0.071 0.000 1.012 712 W CA 0.362 57.675 57.345 -0.053 0.000 1.903 712 W CB 1.012 30.444 29.460 -0.047 0.000 0.746 712 W HN -0.068 nan 8.180 nan 0.000 0.948 713 D N 0.927 121.311 120.400 -0.026 0.000 2.706 713 D HA 0.308 4.921 4.640 -0.044 0.000 0.225 713 D C -2.127 174.089 176.300 -0.140 0.000 1.241 713 D CA -0.150 53.749 54.000 -0.168 0.000 0.784 713 D CB 2.405 43.117 40.800 -0.146 0.000 1.521 713 D HN -0.133 nan 8.370 nan 0.000 0.461 714 V N 2.610 122.386 119.914 -0.230 0.000 2.777 714 V HA 0.587 4.680 4.120 -0.044 0.000 0.306 714 V C -1.781 174.136 176.094 -0.296 0.000 1.112 714 V CA -0.172 61.934 62.300 -0.322 0.000 0.917 714 V CB 1.867 33.336 31.823 -0.590 0.000 1.018 714 V HN 0.696 nan 8.190 nan 0.000 0.426 715 Q N 3.813 123.471 119.800 -0.235 0.000 2.340 715 Q HA 0.775 5.088 4.340 -0.044 0.000 0.276 715 Q C -0.867 175.056 176.000 -0.127 0.000 1.048 715 Q CA -0.431 55.271 55.803 -0.169 0.000 0.832 715 Q CB 2.350 31.041 28.738 -0.079 0.000 1.373 715 Q HN 1.128 nan 8.270 nan 0.000 0.409 716 A N 1.701 124.456 122.820 -0.108 0.000 2.347 716 A HA 0.548 4.841 4.320 -0.044 0.000 0.287 716 A C -0.735 176.871 177.584 0.037 0.000 1.199 716 A CA -0.132 51.875 52.037 -0.050 0.000 0.851 716 A CB -0.056 18.937 19.000 -0.011 0.000 1.118 716 A HN 0.689 nan 8.150 nan 0.000 0.525 717 C N 1.718 121.030 119.300 0.019 0.000 3.082 717 C HA 0.721 5.154 4.460 -0.044 0.000 0.324 717 C C 1.204 176.246 174.990 0.086 0.000 1.210 717 C CA 0.294 59.386 59.018 0.124 0.000 1.366 717 C CB 1.345 29.201 27.740 0.194 0.000 1.756 717 C HN 1.082 nan 8.230 nan 0.000 0.485 718 G N 2.313 111.251 108.800 0.229 0.000 2.850 718 G HA2 0.426 4.359 3.960 -0.044 0.000 0.211 718 G HA3 0.426 4.359 3.960 -0.044 0.000 0.211 718 G C 0.734 175.927 174.900 0.488 0.000 1.124 718 G CA 0.803 46.101 45.100 0.330 0.000 0.769 718 G HN 1.194 nan 8.290 nan 0.000 0.535 719 G N 0.305 109.321 108.800 0.359 0.000 2.611 719 G HA2 0.409 4.343 3.960 -0.044 0.000 0.273 719 G HA3 0.409 4.343 3.960 -0.044 0.000 0.273 719 G C 0.151 174.900 174.900 -0.253 0.000 1.305 719 G CA 0.385 45.512 45.100 0.044 0.000 1.010 719 G HN 0.371 nan 8.290 nan 0.000 0.509 720 T N -1.701 112.483 114.554 -0.617 0.000 2.744 720 T HA 0.500 4.824 4.350 -0.044 0.000 0.291 720 T C -0.393 173.863 174.700 -0.740 0.000 0.957 720 T CA -0.565 61.205 62.100 -0.551 0.000 1.002 720 T CB 0.890 69.450 68.868 -0.514 0.000 0.919 720 T HN 0.482 nan 8.240 nan 0.000 0.468 721 H N 1.968 120.659 119.070 -0.631 0.000 2.621 721 H HA 0.414 4.942 4.556 -0.046 0.000 0.360 721 H C 0.100 175.255 175.328 -0.288 0.000 1.163 721 H CA -0.807 54.947 56.048 -0.491 0.000 1.194 721 H CB 1.869 31.338 29.762 -0.489 0.000 1.649 721 H HN 0.483 nan 8.280 nan 0.000 0.532 722 L N 2.937 124.152 121.223 -0.013 0.000 2.439 722 L HA 0.051 4.364 4.340 -0.044 0.000 0.269 722 L C -1.216 175.837 176.870 0.305 0.000 1.179 722 L CA -1.478 53.424 54.840 0.103 0.000 0.828 722 L CB 0.442 42.557 42.059 0.094 0.000 1.106 722 L HN 0.440 nan 8.230 nan 0.000 0.467 723 P HA -0.088 nan 4.420 nan 0.000 0.221 723 P C -0.021 177.373 177.300 0.156 0.000 1.145 723 P CA 0.975 64.268 63.100 0.323 0.000 0.795 723 P CB 0.338 32.231 31.700 0.321 0.000 0.775 724 S N -3.067 112.722 115.700 0.148 0.000 2.564 724 S HA 0.305 4.749 4.470 -0.044 0.000 0.274 724 S C 1.051 175.684 174.600 0.056 0.000 1.124 724 S CA -0.283 57.960 58.200 0.072 0.000 0.869 724 S CB 0.904 64.142 63.200 0.064 0.000 1.105 724 S HN 0.064 nan 8.310 nan 0.000 0.472 725 T N 0.527 115.085 114.554 0.007 0.000 2.904 725 T HA 0.062 4.386 4.350 -0.044 0.000 0.267 725 T C 1.977 176.666 174.700 -0.019 0.000 1.059 725 T CA 1.316 63.404 62.100 -0.019 0.000 1.137 725 T CB -0.871 67.946 68.868 -0.084 0.000 0.879 725 T HN 0.716 nan 8.240 nan 0.000 0.467 726 G N 1.919 110.710 108.800 -0.014 0.000 2.475 726 G HA2 -0.113 3.821 3.960 -0.044 0.000 0.220 726 G HA3 -0.113 3.821 3.960 -0.044 0.000 0.220 726 G C 1.433 176.339 174.900 0.011 0.000 1.125 726 G CA 0.827 45.921 45.100 -0.010 0.000 0.755 726 G HN 0.566 nan 8.290 nan 0.000 0.565 727 L N 0.540 121.786 121.223 0.039 0.000 2.465 727 L HA 0.006 4.320 4.340 -0.044 0.000 0.224 727 L C 2.693 179.585 176.870 0.035 0.000 1.145 727 L CA -0.193 54.684 54.840 0.061 0.000 0.834 727 L CB -0.101 42.034 42.059 0.125 0.000 0.944 727 L HN 0.074 nan 8.230 nan 0.000 0.451 728 V N -0.064 119.857 119.914 0.013 0.000 2.427 728 V HA -0.001 4.093 4.120 -0.044 0.000 0.248 728 V C 1.396 177.476 176.094 -0.023 0.000 1.051 728 V CA 1.152 63.446 62.300 -0.011 0.000 1.048 728 V CB -1.298 30.517 31.823 -0.013 0.000 0.666 728 V HN 0.660 nan 8.190 nan 0.000 0.456 729 G N -0.192 108.600 108.800 -0.014 0.000 2.796 729 G HA2 -0.136 3.797 3.960 -0.044 0.000 0.571 729 G HA3 -0.136 3.797 3.960 -0.044 0.000 0.571 729 G C -2.749 172.142 174.900 -0.015 0.000 1.370 729 G CA -0.706 44.388 45.100 -0.011 0.000 0.856 729 G HN 0.321 nan 8.290 nan 0.000 0.538 730 P HA 0.272 nan 4.420 nan 0.000 0.263 730 P C 0.062 177.368 177.300 0.010 0.000 1.175 730 P CA 0.397 63.497 63.100 -0.001 0.000 0.761 730 P CB 0.264 31.970 31.700 0.009 0.000 0.794 731 I N 3.395 123.973 120.570 0.013 0.000 2.354 731 I HA 0.250 4.394 4.170 -0.044 0.000 0.286 731 I C 0.613 176.769 176.117 0.066 0.000 1.007 731 I CA -0.600 60.729 61.300 0.048 0.000 1.167 731 I CB 1.150 39.148 38.000 -0.003 0.000 1.320 731 I HN 0.050 nan 8.210 nan 0.000 0.458 732 K N 7.604 128.075 120.400 0.120 0.000 2.263 732 K HA 0.512 4.806 4.320 -0.044 0.000 0.272 732 K C -0.641 176.059 176.600 0.167 0.000 1.033 732 K CA -0.666 55.687 56.287 0.110 0.000 0.884 732 K CB 1.305 33.864 32.500 0.099 0.000 1.107 732 K HN 0.566 nan 8.250 nan 0.000 0.460 733 I N 6.351 126.995 120.570 0.123 0.000 2.379 733 I HA -0.037 4.107 4.170 -0.044 0.000 0.290 733 I C 1.510 177.693 176.117 0.110 0.000 1.063 733 I CA -0.062 61.325 61.300 0.146 0.000 1.351 733 I CB 0.809 38.859 38.000 0.083 0.000 1.410 733 I HN 0.542 nan 8.210 nan 0.000 0.505 734 L N 6.681 127.977 121.223 0.121 0.000 2.068 734 L HA 0.093 4.406 4.340 -0.044 0.000 0.204 734 L C 1.059 177.948 176.870 0.032 0.000 1.076 734 L CA 0.901 55.778 54.840 0.062 0.000 0.753 734 L CB -0.236 41.846 42.059 0.038 0.000 0.910 734 L HN 0.690 nan 8.230 nan 0.000 0.439 735 R N -2.462 118.059 120.500 0.034 0.000 2.789 735 R HA 0.366 4.680 4.340 -0.044 0.000 0.279 735 R C -1.352 174.962 176.300 0.023 0.000 1.010 735 R CA -0.695 55.414 56.100 0.016 0.000 0.855 735 R CB 1.371 31.664 30.300 -0.011 0.000 1.312 735 R HN -0.272 nan 8.270 nan 0.000 0.479 736 T N -0.303 114.260 114.554 0.014 0.000 2.903 736 T HA 0.546 4.870 4.350 -0.044 0.000 0.299 736 T C -1.811 172.895 174.700 0.009 0.000 1.093 736 T CA -0.522 61.590 62.100 0.020 0.000 1.002 736 T CB 1.501 70.385 68.868 0.027 0.000 1.127 736 T HN 0.625 nan 8.240 nan 0.000 0.488 737 E N 1.698 121.906 120.200 0.013 0.000 2.372 737 E HA 0.417 4.741 4.350 -0.044 0.000 0.279 737 E C -1.094 175.517 176.600 0.018 0.000 0.946 737 E CA -1.122 55.282 56.400 0.007 0.000 0.769 737 E CB 1.961 31.655 29.700 -0.010 0.000 1.230 737 E HN 0.453 nan 8.360 nan 0.000 0.442 738 R N 1.906 122.416 120.500 0.016 0.000 2.390 738 R HA 0.211 4.524 4.340 -0.044 0.000 0.291 738 R C 0.248 176.559 176.300 0.018 0.000 1.070 738 R CA -0.199 55.914 56.100 0.021 0.000 1.014 738 R CB 0.512 30.822 30.300 0.016 0.000 1.007 738 R HN 0.586 nan 8.270 nan 0.000 0.466 739 I N 2.196 122.782 120.570 0.026 0.000 3.172 739 I HA 0.034 4.178 4.170 -0.044 0.000 0.278 739 I C 0.283 176.413 176.117 0.021 0.000 1.174 739 I CA 0.937 62.250 61.300 0.022 0.000 1.445 739 I CB -0.403 37.615 38.000 0.031 0.000 1.175 739 I HN 0.700 nan 8.210 nan 0.000 0.447 740 Q N -1.269 118.547 119.800 0.027 0.000 2.874 740 Q HA 0.248 4.561 4.340 -0.044 0.000 0.303 740 Q C -1.379 174.640 176.000 0.031 0.000 0.876 740 Q CA -0.829 54.989 55.803 0.024 0.000 0.765 740 Q CB 0.811 29.563 28.738 0.024 0.000 1.478 740 Q HN -0.096 nan 8.270 nan 0.000 0.434 741 D N 0.352 120.769 120.400 0.028 0.000 2.520 741 D HA 0.206 4.819 4.640 -0.044 0.000 0.243 741 D C 0.930 177.258 176.300 0.046 0.000 1.160 741 D CA 2.746 56.765 54.000 0.032 0.000 0.877 741 D CB 0.702 41.518 40.800 0.028 0.000 1.150 741 D HN 0.885 nan 8.370 nan 0.000 0.494 742 G N 1.673 110.507 108.800 0.057 0.000 2.194 742 G HA2 -0.244 3.689 3.960 -0.044 0.000 0.236 742 G HA3 -0.244 3.689 3.960 -0.044 0.000 0.236 742 G C 0.175 175.139 174.900 0.108 0.000 0.987 742 G CA 0.029 45.181 45.100 0.086 0.000 0.635 742 G HN 0.519 nan 8.290 nan 0.000 0.520 743 V N 1.903 121.869 119.914 0.087 0.000 2.443 743 V HA 0.631 4.725 4.120 -0.044 0.000 0.293 743 V C -0.643 175.504 176.094 0.087 0.000 1.021 743 V CA -1.117 61.241 62.300 0.096 0.000 0.848 743 V CB 1.768 33.637 31.823 0.076 0.000 0.998 743 V HN 0.283 nan 8.190 nan 0.000 0.424 744 E N 3.724 123.990 120.200 0.110 0.000 2.207 744 E HA 0.565 4.888 4.350 -0.044 0.000 0.270 744 E C -0.599 176.046 176.600 0.075 0.000 0.927 744 E CA -0.835 55.621 56.400 0.093 0.000 0.799 744 E CB 2.935 32.712 29.700 0.129 0.000 1.172 744 E HN 0.623 nan 8.360 nan 0.000 0.404 745 R N 1.961 122.495 120.500 0.058 0.000 2.562 745 R HA 0.553 4.867 4.340 -0.044 0.000 0.298 745 R C -1.079 175.256 176.300 0.058 0.000 0.961 745 R CA -0.605 55.529 56.100 0.056 0.000 0.881 745 R CB 0.704 31.027 30.300 0.037 0.000 1.159 745 R HN 0.379 nan 8.270 nan 0.000 0.450 746 I N 5.269 125.893 120.570 0.089 0.000 2.436 746 I HA 0.375 4.519 4.170 -0.044 0.000 0.289 746 I C -0.525 175.711 176.117 0.198 0.000 1.010 746 I CA -0.384 60.988 61.300 0.120 0.000 1.098 746 I CB 2.003 40.071 38.000 0.113 0.000 1.266 746 I HN 0.509 nan 8.210 nan 0.000 0.434 747 I N 6.801 127.467 120.570 0.159 0.000 2.378 747 I HA 0.534 4.678 4.170 -0.044 0.000 0.291 747 I C -0.542 175.734 176.117 0.265 0.000 0.992 747 I CA -0.548 60.840 61.300 0.147 0.000 1.154 747 I CB 0.929 38.898 38.000 -0.052 0.000 1.315 747 I HN 0.505 nan 8.210 nan 0.000 0.448 748 F N 4.282 124.315 119.950 0.139 0.000 2.691 748 F HA 0.997 5.497 4.527 -0.045 0.000 0.334 748 F C -0.831 175.109 175.800 0.233 0.000 1.107 748 F CA -1.135 56.949 58.000 0.140 0.000 0.991 748 F CB 1.552 40.613 39.000 0.101 0.000 1.400 748 F HN 0.387 nan 8.300 nan 0.000 0.503 749 A N 0.403 123.409 122.820 0.311 0.000 2.455 749 A HA 0.727 5.021 4.320 -0.044 0.000 0.300 749 A C -1.616 176.069 177.584 0.169 0.000 1.040 749 A CA -0.665 51.525 52.037 0.256 0.000 0.697 749 A CB 0.948 20.081 19.000 0.221 0.000 1.265 749 A HN 1.005 nan 8.150 nan 0.000 0.407 750 C N 0.541 119.781 119.300 -0.100 0.000 2.562 750 C HA 1.020 5.454 4.460 -0.044 0.000 0.332 750 C C 0.873 175.803 174.990 -0.101 0.000 1.201 750 C CA 0.572 59.463 59.018 -0.211 0.000 1.803 750 C CB 0.928 28.356 27.740 -0.519 0.000 2.328 750 C HN 2.395 nan 8.230 nan 0.000 0.500 751 G N 1.961 110.730 108.800 -0.052 0.000 2.707 751 G HA2 0.046 3.980 3.960 -0.044 0.000 0.686 751 G HA3 0.046 3.980 3.960 -0.044 0.000 0.686 751 G C -0.998 173.909 174.900 0.012 0.000 1.315 751 G CA -0.574 44.519 45.100 -0.013 0.000 0.832 751 G HN 0.760 nan 8.290 nan 0.000 0.573 752 E N 0.000 120.209 120.200 0.015 0.000 2.725 752 E HA 0.000 4.324 4.350 -0.044 0.000 0.291 752 E CA 0.000 56.411 56.400 0.018 0.000 0.976 752 E CB 0.000 29.709 29.700 0.015 0.000 0.812 752 E HN 0.000 nan 8.360 nan 0.000 0.440