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 2vbi_1_A DATA FIRST_RESID 2 DATA SEQUENCE TYTVGMYLAE RLVQIGLKHH FAVAGDYNLV LLDQLLLNKD MKQIYCCNEL DATA SEQUENCE NCGFSAEGYA RSNGAAAAVV TFSVGAISAM NALGGAYAEN LPVILISGAP DATA SEQUENCE NSNDQGTGHI LHHTIGKTDY SYQLEMARQV TCAAESITDA HSAPAKIDHV DATA SEQUENCE IRTALRERKP AYLDIACNIA SEPCVRPGPV SSLLSEPEID HTSLKAAVDA DATA SEQUENCE TVALLEKSAS PVMLLGSKLR AANALAATET LADKLQCAVT IMAAAKGFFP DATA SEQUENCE EDHAGFRGLY WGEVSNPGVQ ELVETSDALL CIAPVFNDYS TVGWSAWPKG DATA SEQUENCE PNVILAEPDR VTVDGRAYDG FTLRAFLQAL AEKAPARPAS AQKSSVPTCS DATA SEQUENCE LTATSDEAGL TNDEIVRHIN ALLTSNTTLV AETGDSWFNA MRMTLPRGAR DATA SEQUENCE VELEMQWGHI GWSVPSAFGN AMGSQDRQHV VMVGDGSFQL TAQEVAQMVR DATA SEQUENCE YELPVIIFLI NNRGYVIEIA IHDGPYNYIK NWDYAGLMEV FNAGEGHGLG DATA SEQUENCE LKATTPKELT EAIARAKANT RGPTLIECQI DRTDCTDMLV QWGRKVASTN DATA SEQUENCE ARKT 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.773 174.700 0.122 0.000 1.109 2 T CA 0.000 62.156 62.100 0.093 0.000 1.349 2 T CB 0.000 68.900 68.868 0.054 0.000 0.612 3 Y N 5.042 125.356 120.300 0.023 0.000 2.341 3 Y HA 0.581 5.133 4.550 0.003 0.000 0.340 3 Y C 0.843 176.765 175.900 0.038 0.000 0.997 3 Y CA 0.107 58.227 58.100 0.032 0.000 1.149 3 Y CB 1.183 39.666 38.460 0.039 0.000 1.171 3 Y HN 0.792 nan 8.280 nan 0.000 0.494 4 T N 0.855 115.240 114.554 -0.281 0.000 2.948 4 T HA 0.302 4.654 4.350 0.003 0.000 0.285 4 T C 0.951 175.562 174.700 -0.149 0.000 1.019 4 T CA -0.664 61.349 62.100 -0.145 0.000 1.013 4 T CB 1.200 69.997 68.868 -0.117 0.000 1.117 4 T HN 0.407 nan 8.240 nan 0.000 0.533 5 V N 1.737 121.618 119.914 -0.054 0.000 2.282 5 V HA -0.074 4.048 4.120 0.003 0.000 0.249 5 V C 2.910 178.993 176.094 -0.019 0.000 1.057 5 V CA 2.564 64.847 62.300 -0.030 0.000 1.032 5 V CB -1.506 30.291 31.823 -0.043 0.000 0.645 5 V HN 1.115 nan 8.190 nan 0.000 0.447 6 G N -0.940 107.823 108.800 -0.061 0.000 2.422 6 G HA2 -0.250 3.711 3.960 0.003 0.000 0.218 6 G HA3 -0.250 3.711 3.960 0.003 0.000 0.218 6 G C 1.592 176.428 174.900 -0.106 0.000 1.146 6 G CA 1.028 46.088 45.100 -0.066 0.000 0.769 6 G HN 0.458 nan 8.290 nan 0.000 0.547 7 M N -1.001 118.467 119.600 -0.220 0.000 2.175 7 M HA 0.026 4.508 4.480 0.003 0.000 0.264 7 M C 2.345 178.522 176.300 -0.205 0.000 1.063 7 M CA 1.033 56.127 55.300 -0.344 0.000 1.119 7 M CB -0.349 31.789 32.600 -0.771 0.000 1.377 7 M HN 0.302 nan 8.290 nan 0.000 0.415 8 Y N 1.361 121.532 120.300 -0.215 0.000 2.128 8 Y HA -0.285 4.267 4.550 0.003 0.000 0.284 8 Y C 2.186 178.092 175.900 0.010 0.000 1.154 8 Y CA 1.763 59.906 58.100 0.071 0.000 1.149 8 Y CB -0.357 38.174 38.460 0.120 0.000 0.976 8 Y HN 0.103 nan 8.280 nan 0.000 0.505 9 L N 0.659 121.999 121.223 0.195 0.000 2.012 9 L HA -0.145 4.197 4.340 0.003 0.000 0.210 9 L C 2.439 179.278 176.870 -0.052 0.000 1.073 9 L CA 2.253 57.139 54.840 0.076 0.000 0.748 9 L CB -1.368 40.707 42.059 0.026 0.000 0.891 9 L HN 0.272 nan 8.230 nan 0.000 0.431 10 A N -0.853 121.915 122.820 -0.087 0.000 1.883 10 A HA -0.291 4.031 4.320 0.003 0.000 0.217 10 A C 2.343 179.869 177.584 -0.098 0.000 1.186 10 A CA 1.923 53.885 52.037 -0.125 0.000 0.624 10 A CB -0.818 18.109 19.000 -0.123 0.000 0.822 10 A HN 0.622 nan 8.150 nan 0.000 0.444 11 E N -0.935 119.217 120.200 -0.081 0.000 2.110 11 E HA -0.190 4.162 4.350 0.003 0.000 0.193 11 E C 2.247 178.774 176.600 -0.122 0.000 0.988 11 E CA 0.723 57.075 56.400 -0.079 0.000 0.804 11 E CB 0.012 29.691 29.700 -0.036 0.000 0.745 11 E HN 0.322 nan 8.360 nan 0.000 0.458 12 R N 0.195 120.594 120.500 -0.167 0.000 2.075 12 R HA -0.071 4.271 4.340 0.003 0.000 0.232 12 R C 2.456 178.710 176.300 -0.077 0.000 1.126 12 R CA 0.725 56.740 56.100 -0.141 0.000 0.963 12 R CB -0.686 29.533 30.300 -0.136 0.000 0.858 12 R HN 0.322 nan 8.270 nan 0.000 0.435 13 L N 0.235 121.414 121.223 -0.073 0.000 2.046 13 L HA -0.154 4.188 4.340 0.003 0.000 0.208 13 L C 2.447 179.295 176.870 -0.038 0.000 1.077 13 L CA 0.975 55.783 54.840 -0.054 0.000 0.747 13 L CB -0.552 41.454 42.059 -0.088 0.000 0.896 13 L HN -0.063 nan 8.230 nan 0.000 0.432 14 V N -0.468 119.415 119.914 -0.051 0.000 2.343 14 V HA -0.309 3.813 4.120 0.003 0.000 0.247 14 V C 2.412 178.489 176.094 -0.029 0.000 1.051 14 V CA 1.681 63.959 62.300 -0.037 0.000 1.036 14 V CB -0.515 31.281 31.823 -0.044 0.000 0.654 14 V HN 0.505 nan 8.190 nan 0.000 0.451 15 Q N -0.719 119.057 119.800 -0.041 0.000 2.224 15 Q HA -0.098 4.244 4.340 0.003 0.000 0.203 15 Q C 2.197 178.185 176.000 -0.021 0.000 0.970 15 Q CA 1.297 57.078 55.803 -0.036 0.000 0.865 15 Q CB -0.178 28.528 28.738 -0.054 0.000 0.922 15 Q HN 0.613 nan 8.270 nan 0.000 0.445 16 I N -0.670 119.892 120.570 -0.013 0.000 2.361 16 I HA -0.164 4.008 4.170 0.003 0.000 0.251 16 I C 1.343 177.470 176.117 0.017 0.000 1.133 16 I CA 1.139 62.441 61.300 0.004 0.000 1.413 16 I CB -0.139 37.870 38.000 0.016 0.000 1.073 16 I HN 0.430 nan 8.210 nan 0.000 0.424 17 G N 0.521 109.334 108.800 0.020 0.000 2.154 17 G HA2 -0.171 3.791 3.960 0.003 0.000 0.186 17 G HA3 -0.171 3.791 3.960 0.003 0.000 0.186 17 G C -0.100 174.846 174.900 0.076 0.000 1.000 17 G CA -0.665 44.454 45.100 0.032 0.000 0.664 17 G HN 0.072 nan 8.290 nan 0.000 0.513 18 L N 0.632 121.910 121.223 0.091 0.000 2.416 18 L HA 0.463 4.805 4.340 0.003 0.000 0.272 18 L C 1.467 178.389 176.870 0.086 0.000 1.161 18 L CA 0.492 55.427 54.840 0.158 0.000 0.845 18 L CB 0.955 43.073 42.059 0.099 0.000 1.119 18 L HN 0.083 nan 8.230 nan 0.000 0.464 19 K N 1.915 122.401 120.400 0.143 0.000 2.402 19 K HA 0.258 4.580 4.320 0.003 0.000 0.203 19 K C -0.462 175.815 176.600 -0.538 0.000 1.077 19 K CA -0.016 56.194 56.287 -0.128 0.000 1.051 19 K CB 0.632 33.076 32.500 -0.093 0.000 0.907 19 K HN 0.612 nan 8.250 nan 0.000 0.554 20 H N -0.096 118.868 119.070 -0.177 0.000 3.012 20 H HA 0.329 4.887 4.556 0.003 0.000 0.367 20 H C -0.538 174.432 175.328 -0.597 0.000 1.211 20 H CA -0.920 54.806 56.048 -0.536 0.000 1.139 20 H CB 1.353 30.618 29.762 -0.828 0.000 1.838 20 H HN 0.055 nan 8.280 nan 0.000 0.550 21 H N 0.451 119.178 119.070 -0.571 0.000 2.895 21 H HA 0.472 5.030 4.556 0.003 0.000 0.373 21 H C -1.595 173.368 175.328 -0.608 0.000 1.174 21 H CA -0.999 54.768 56.048 -0.468 0.000 1.144 21 H CB 1.141 30.779 29.762 -0.207 0.000 1.793 21 H HN 0.359 nan 8.280 nan 0.000 0.551 22 F N 0.656 120.518 119.950 -0.148 0.000 2.450 22 F HA 0.717 5.246 4.527 0.003 0.000 0.332 22 F C 0.276 176.078 175.800 0.002 0.000 1.093 22 F CA -0.420 57.501 58.000 -0.131 0.000 1.003 22 F CB 2.139 41.096 39.000 -0.071 0.000 1.151 22 F HN 0.875 nan 8.300 nan 0.000 0.474 23 A N 1.450 124.391 122.820 0.201 0.000 2.572 23 A HA 0.844 5.166 4.320 0.003 0.000 0.295 23 A C -1.902 175.863 177.584 0.303 0.000 1.072 23 A CA -0.740 51.451 52.037 0.255 0.000 0.691 23 A CB 1.581 20.752 19.000 0.284 0.000 1.291 23 A HN 0.499 nan 8.150 nan 0.000 0.404 24 V N 1.294 121.339 119.914 0.218 0.000 2.487 24 V HA 0.671 4.793 4.120 0.003 0.000 0.298 24 V C 0.680 176.851 176.094 0.129 0.000 1.028 24 V CA -0.342 62.058 62.300 0.167 0.000 0.860 24 V CB 1.358 33.251 31.823 0.118 0.000 0.991 24 V HN 1.459 nan 8.190 nan 0.000 0.427 25 A N 3.382 126.250 122.820 0.080 0.000 2.445 25 A HA 0.800 5.122 4.320 0.003 0.000 0.242 25 A C 0.568 178.196 177.584 0.073 0.000 1.075 25 A CA 0.574 52.646 52.037 0.057 0.000 0.777 25 A CB 0.426 19.414 19.000 -0.020 0.000 1.013 25 A HN 1.414 nan 8.150 nan 0.000 0.493 26 G N 0.436 109.295 108.800 0.099 0.000 2.698 26 G HA2 0.459 4.421 3.960 0.003 0.000 0.293 26 G HA3 0.459 4.421 3.960 0.003 0.000 0.293 26 G C 0.041 175.010 174.900 0.115 0.000 1.437 26 G CA 0.224 45.402 45.100 0.130 0.000 0.852 26 G HN 0.676 nan 8.290 nan 0.000 0.499 27 D N -0.247 120.194 120.400 0.067 0.000 2.190 27 D HA -0.220 4.422 4.640 0.003 0.000 0.200 27 D C 1.284 177.585 176.300 0.002 0.000 0.992 27 D CA 1.405 55.390 54.000 -0.024 0.000 0.854 27 D CB -0.218 40.500 40.800 -0.137 0.000 0.936 27 D HN 0.373 nan 8.370 nan 0.000 0.462 28 Y N 1.076 121.466 120.300 0.149 0.000 2.574 28 Y HA -0.033 4.519 4.550 0.003 0.000 0.294 28 Y C 1.584 177.523 175.900 0.065 0.000 1.142 28 Y CA 1.284 59.438 58.100 0.090 0.000 1.314 28 Y CB -0.426 38.095 38.460 0.102 0.000 0.991 28 Y HN 0.265 nan 8.280 nan 0.000 0.555 29 N N -1.528 117.297 118.700 0.209 0.000 2.143 29 N HA 0.033 4.775 4.740 0.003 0.000 0.222 29 N C 0.897 176.467 175.510 0.099 0.000 1.264 29 N CA 0.164 53.299 53.050 0.142 0.000 0.897 29 N CB -0.871 37.703 38.487 0.144 0.000 1.092 29 N HN 0.244 nan 8.380 nan 0.000 0.516 30 L N 0.007 121.278 121.223 0.081 0.000 2.012 30 L HA -0.094 4.248 4.340 0.003 0.000 0.210 30 L C 1.945 178.843 176.870 0.046 0.000 1.073 30 L CA 1.229 56.101 54.840 0.054 0.000 0.748 30 L CB -0.550 41.526 42.059 0.029 0.000 0.891 30 L HN 0.023 nan 8.230 nan 0.000 0.431 31 V N -0.024 119.914 119.914 0.040 0.000 2.343 31 V HA -0.278 3.844 4.120 0.003 0.000 0.247 31 V C 2.413 178.522 176.094 0.024 0.000 1.051 31 V CA 1.628 63.944 62.300 0.026 0.000 1.036 31 V CB -0.429 31.407 31.823 0.021 0.000 0.654 31 V HN 0.328 nan 8.190 nan 0.000 0.451 32 L N -0.161 121.081 121.223 0.032 0.000 2.012 32 L HA -0.163 4.179 4.340 0.003 0.000 0.210 32 L C 2.210 179.097 176.870 0.029 0.000 1.073 32 L CA 1.922 56.774 54.840 0.020 0.000 0.748 32 L CB -0.586 41.488 42.059 0.026 0.000 0.891 32 L HN 0.207 nan 8.230 nan 0.000 0.431 33 L N -0.614 120.648 121.223 0.065 0.000 2.079 33 L HA -0.235 4.106 4.340 0.003 0.000 0.210 33 L C 2.293 179.214 176.870 0.086 0.000 1.081 33 L CA 1.379 56.282 54.840 0.106 0.000 0.752 33 L CB -0.969 41.174 42.059 0.140 0.000 0.896 33 L HN 0.322 nan 8.230 nan 0.000 0.433 34 D N -0.478 119.954 120.400 0.054 0.000 2.123 34 D HA -0.181 4.461 4.640 0.003 0.000 0.196 34 D C 2.368 178.677 176.300 0.014 0.000 0.992 34 D CA 1.004 55.025 54.000 0.035 0.000 0.833 34 D CB -0.164 40.648 40.800 0.020 0.000 0.954 34 D HN 0.271 nan 8.370 nan 0.000 0.455 35 Q N 0.265 120.061 119.800 -0.006 0.000 2.084 35 Q HA -0.054 4.288 4.340 0.003 0.000 0.202 35 Q C 2.665 178.636 176.000 -0.048 0.000 0.978 35 Q CA 0.597 56.373 55.803 -0.043 0.000 0.844 35 Q CB -0.644 28.055 28.738 -0.065 0.000 0.898 35 Q HN 0.383 nan 8.270 nan 0.000 0.426 36 L N -0.027 121.176 121.223 -0.033 0.000 2.131 36 L HA -0.143 4.199 4.340 0.003 0.000 0.210 36 L C 2.322 179.208 176.870 0.027 0.000 1.092 36 L CA 0.633 55.443 54.840 -0.051 0.000 0.759 36 L CB -0.412 41.584 42.059 -0.105 0.000 0.903 36 L HN 0.153 nan 8.230 nan 0.000 0.435 37 L N -0.608 120.651 121.223 0.061 0.000 2.275 37 L HA -0.188 4.154 4.340 0.003 0.000 0.215 37 L C 2.252 179.137 176.870 0.026 0.000 1.119 37 L CA 0.779 55.657 54.840 0.063 0.000 0.790 37 L CB -0.244 41.859 42.059 0.073 0.000 0.919 37 L HN 0.293 nan 8.230 nan 0.000 0.443 38 L N -0.755 120.471 121.223 0.005 0.000 2.376 38 L HA -0.092 4.250 4.340 0.003 0.000 0.219 38 L C 1.044 177.909 176.870 -0.008 0.000 1.133 38 L CA 0.215 55.052 54.840 -0.006 0.000 0.816 38 L CB -0.408 41.638 42.059 -0.022 0.000 0.933 38 L HN 0.261 nan 8.230 nan 0.000 0.449 39 N N 0.947 119.639 118.700 -0.013 0.000 2.415 39 N HA 0.012 4.754 4.740 0.003 0.000 0.246 39 N C 0.573 176.074 175.510 -0.016 0.000 1.078 39 N CA -0.007 53.033 53.050 -0.016 0.000 0.942 39 N CB 0.992 39.460 38.487 -0.032 0.000 1.140 39 N HN -0.052 nan 8.380 nan 0.000 0.501 40 K N 1.702 122.092 120.400 -0.016 0.000 2.525 40 K HA 0.011 4.333 4.320 0.003 0.000 0.192 40 K C 0.211 176.786 176.600 -0.042 0.000 1.029 40 K CA 0.387 56.660 56.287 -0.024 0.000 1.029 40 K CB 0.354 32.845 32.500 -0.015 0.000 0.814 40 K HN 0.513 nan 8.250 nan 0.000 0.503 41 D N 0.777 121.151 120.400 -0.043 0.000 2.363 41 D HA 0.002 4.644 4.640 0.003 0.000 0.220 41 D C 0.949 177.194 176.300 -0.090 0.000 0.994 41 D CA 0.490 54.457 54.000 -0.056 0.000 0.890 41 D CB 0.182 40.957 40.800 -0.042 0.000 0.906 41 D HN 0.346 nan 8.370 nan 0.000 0.530 42 M N -1.880 117.662 119.600 -0.097 0.000 2.618 42 M HA 0.456 4.938 4.480 0.003 0.000 0.281 42 M C -1.373 174.816 176.300 -0.184 0.000 1.267 42 M CA -0.987 54.214 55.300 -0.166 0.000 0.845 42 M CB 2.853 35.395 32.600 -0.096 0.000 1.732 42 M HN -0.480 nan 8.290 nan 0.000 0.461 43 K N 1.591 121.783 120.400 -0.347 0.000 2.164 43 K HA 0.377 4.699 4.320 0.003 0.000 0.258 43 K C -1.265 175.018 176.600 -0.527 0.000 0.951 43 K CA -0.621 55.465 56.287 -0.335 0.000 0.844 43 K CB 2.380 34.696 32.500 -0.307 0.000 1.099 43 K HN 0.742 nan 8.250 nan 0.000 0.435 44 Q N 3.755 123.219 119.800 -0.560 0.000 2.331 44 Q HA 0.336 4.678 4.340 0.003 0.000 0.257 44 Q C -0.868 174.558 176.000 -0.958 0.000 0.957 44 Q CA -0.592 54.642 55.803 -0.949 0.000 0.923 44 Q CB 0.564 28.993 28.738 -0.515 0.000 1.212 44 Q HN 0.632 nan 8.270 nan 0.000 0.443 45 I N 0.831 120.783 120.570 -1.029 0.000 2.693 45 I HA 0.556 4.728 4.170 0.003 0.000 0.303 45 I C -1.608 174.118 176.117 -0.651 0.000 1.025 45 I CA -0.926 59.834 61.300 -0.900 0.000 1.086 45 I CB 1.385 38.847 38.000 -0.898 0.000 1.268 45 I HN 0.422 nan 8.210 nan 0.000 0.440 46 Y N 3.270 123.700 120.300 0.217 0.000 2.446 46 Y HA 0.719 5.271 4.550 0.003 0.000 0.338 46 Y C 0.038 176.082 175.900 0.241 0.000 1.055 46 Y CA -0.954 57.267 58.100 0.202 0.000 1.101 46 Y CB 1.607 40.155 38.460 0.146 0.000 1.221 46 Y HN 0.682 nan 8.280 nan 0.000 0.460 47 C N -0.068 119.428 119.300 0.327 0.000 2.595 47 C HA 0.382 4.844 4.460 0.003 0.000 0.338 47 C C 1.514 176.563 174.990 0.098 0.000 1.219 47 C CA -0.629 58.497 59.018 0.179 0.000 1.811 47 C CB 1.508 29.351 27.740 0.172 0.000 2.313 47 C HN 1.122 nan 8.230 nan 0.000 0.499 48 C N 1.422 120.730 119.300 0.014 0.000 2.462 48 C HA 0.006 4.468 4.460 0.003 0.000 0.278 48 C C 0.976 175.980 174.990 0.023 0.000 1.253 48 C CA 0.985 60.000 59.018 -0.004 0.000 1.713 48 C CB -1.468 26.239 27.740 -0.055 0.000 2.049 48 C HN 1.008 nan 8.230 nan 0.000 0.477 49 N N -0.527 118.190 118.700 0.028 0.000 2.571 49 N HA 0.310 5.052 4.740 0.003 0.000 0.273 49 N C -0.370 175.166 175.510 0.043 0.000 1.340 49 N CA -0.593 52.480 53.050 0.038 0.000 0.789 49 N CB 0.477 38.987 38.487 0.038 0.000 1.514 49 N HN -0.069 nan 8.380 nan 0.000 0.499 50 E N -0.408 119.813 120.200 0.035 0.000 2.152 50 E HA 0.018 4.370 4.350 0.003 0.000 0.192 50 E C 1.373 177.964 176.600 -0.014 0.000 0.983 50 E CA 0.441 56.854 56.400 0.023 0.000 0.818 50 E CB -0.168 29.543 29.700 0.018 0.000 0.758 50 E HN 0.534 nan 8.360 nan 0.000 0.467 51 L N 1.149 122.368 121.223 -0.007 0.000 1.989 51 L HA -0.194 4.148 4.340 0.003 0.000 0.211 51 L C 1.376 178.233 176.870 -0.020 0.000 1.071 51 L CA 1.815 56.626 54.840 -0.048 0.000 0.749 51 L CB -0.500 41.589 42.059 0.050 0.000 0.890 51 L HN 0.040 nan 8.230 nan 0.000 0.431 52 N N -1.079 117.663 118.700 0.069 0.000 2.166 52 N HA -0.211 4.531 4.740 0.003 0.000 0.186 52 N C 2.023 177.564 175.510 0.053 0.000 1.019 52 N CA 1.466 54.577 53.050 0.101 0.000 0.856 52 N CB -1.126 37.389 38.487 0.045 0.000 0.993 52 N HN 0.542 nan 8.380 nan 0.000 0.426 53 C N 0.473 119.790 119.300 0.028 0.000 2.413 53 C HA -0.023 4.439 4.460 0.003 0.000 0.277 53 C C 2.765 177.716 174.990 -0.065 0.000 1.228 53 C CA 1.375 60.410 59.018 0.028 0.000 1.731 53 C CB -1.299 26.487 27.740 0.078 0.000 2.042 53 C HN 0.532 nan 8.230 nan 0.000 0.468 54 G N -0.818 107.921 108.800 -0.101 0.000 2.446 54 G HA2 -0.195 3.767 3.960 0.003 0.000 0.217 54 G HA3 -0.195 3.767 3.960 0.003 0.000 0.217 54 G C 1.338 176.142 174.900 -0.161 0.000 1.168 54 G CA 0.888 45.882 45.100 -0.177 0.000 0.771 54 G HN 0.484 nan 8.290 nan 0.000 0.551 55 F N 1.673 121.588 119.950 -0.059 0.000 2.293 55 F HA 0.056 4.585 4.527 0.003 0.000 0.300 55 F C 2.967 178.675 175.800 -0.153 0.000 1.086 55 F CA 0.795 58.769 58.000 -0.044 0.000 1.375 55 F CB -0.328 38.663 39.000 -0.014 0.000 1.045 55 F HN 0.086 nan 8.300 nan 0.000 0.516 56 S N -0.074 115.575 115.700 -0.085 0.000 2.368 56 S HA -0.145 4.327 4.470 0.003 0.000 0.224 56 S C 2.432 176.601 174.600 -0.719 0.000 1.029 56 S CA 1.035 58.986 58.200 -0.415 0.000 0.988 56 S CB -0.622 62.249 63.200 -0.548 0.000 0.838 56 S HN 0.349 nan 8.310 nan 0.000 0.462 57 A N 1.638 124.090 122.820 -0.612 0.000 1.902 57 A HA -0.155 4.167 4.320 0.003 0.000 0.217 57 A C 2.086 179.647 177.584 -0.038 0.000 1.181 57 A CA 1.522 53.367 52.037 -0.319 0.000 0.623 57 A CB -0.618 18.322 19.000 -0.101 0.000 0.818 57 A HN 0.462 nan 8.150 nan 0.000 0.443 58 E N -0.125 120.088 120.200 0.022 0.000 2.070 58 E HA -0.197 4.155 4.350 0.003 0.000 0.197 58 E C 2.166 178.862 176.600 0.161 0.000 1.004 58 E CA 1.578 58.069 56.400 0.152 0.000 0.805 58 E CB -0.558 29.339 29.700 0.328 0.000 0.744 58 E HN 0.500 nan 8.360 nan 0.000 0.451 59 G N -0.300 108.553 108.800 0.088 0.000 2.418 59 G HA2 -0.305 3.657 3.960 0.003 0.000 0.217 59 G HA3 -0.305 3.657 3.960 0.003 0.000 0.217 59 G C 1.549 176.480 174.900 0.052 0.000 1.158 59 G CA 0.935 46.058 45.100 0.038 0.000 0.771 59 G HN 0.386 nan 8.290 nan 0.000 0.545 60 Y N 1.879 122.130 120.300 -0.083 0.000 2.181 60 Y HA -0.041 4.511 4.550 0.003 0.000 0.288 60 Y C 2.981 178.903 175.900 0.037 0.000 1.146 60 Y CA 1.472 59.568 58.100 -0.005 0.000 1.164 60 Y CB -0.221 38.306 38.460 0.112 0.000 0.982 60 Y HN 0.258 nan 8.280 nan 0.000 0.515 61 A N 0.327 123.272 122.820 0.208 0.000 1.940 61 A HA -0.236 4.086 4.320 0.003 0.000 0.219 61 A C 2.240 179.856 177.584 0.053 0.000 1.176 61 A CA 1.887 54.002 52.037 0.130 0.000 0.631 61 A CB -0.628 18.444 19.000 0.121 0.000 0.814 61 A HN 0.536 nan 8.150 nan 0.000 0.446 62 R N -0.053 120.487 120.500 0.066 0.000 2.096 62 R HA -0.126 4.216 4.340 0.003 0.000 0.235 62 R C 2.551 178.857 176.300 0.010 0.000 1.127 62 R CA 1.854 57.993 56.100 0.065 0.000 0.968 62 R CB -0.248 30.128 30.300 0.127 0.000 0.861 62 R HN 0.739 nan 8.270 nan 0.000 0.440 63 S N -0.982 114.687 115.700 -0.051 0.000 2.475 63 S HA -0.006 4.466 4.470 0.003 0.000 0.224 63 S C 1.558 176.066 174.600 -0.153 0.000 1.042 63 S CA 0.702 58.846 58.200 -0.092 0.000 0.935 63 S CB 0.009 63.149 63.200 -0.101 0.000 0.801 63 S HN 0.297 nan 8.310 nan 0.000 0.509 64 N N 0.635 119.196 118.700 -0.232 0.000 2.387 64 N HA 0.307 5.049 4.740 0.003 0.000 0.176 64 N C 1.267 176.739 175.510 -0.063 0.000 1.022 64 N CA 1.130 54.057 53.050 -0.205 0.000 0.883 64 N CB 0.355 38.610 38.487 -0.387 0.000 1.019 64 N HN 0.533 nan 8.380 nan 0.000 0.435 65 G N -1.052 107.733 108.800 -0.025 0.000 2.481 65 G HA2 0.103 4.065 3.960 0.003 0.000 0.200 65 G HA3 0.103 4.065 3.960 0.003 0.000 0.200 65 G C 0.012 174.931 174.900 0.032 0.000 1.012 65 G CA -0.011 45.088 45.100 -0.001 0.000 0.676 65 G HN 0.736 nan 8.290 nan 0.000 0.488 66 A N -0.866 122.005 122.820 0.084 0.000 2.588 66 A HA 1.135 5.457 4.320 0.003 0.000 0.290 66 A C -0.401 177.321 177.584 0.231 0.000 1.136 66 A CA 0.486 52.591 52.037 0.113 0.000 0.681 66 A CB 0.869 19.914 19.000 0.074 0.000 1.282 66 A HN 2.235 nan 8.150 nan 0.000 0.421 67 A N -1.131 121.803 122.820 0.190 0.000 2.581 67 A HA 1.023 5.345 4.320 0.003 0.000 0.290 67 A C -0.713 176.942 177.584 0.118 0.000 1.119 67 A CA -0.008 52.160 52.037 0.219 0.000 0.670 67 A CB 0.820 19.983 19.000 0.271 0.000 1.280 67 A HN 2.643 nan 8.150 nan 0.000 0.425 68 A N -0.544 122.345 122.820 0.115 0.000 2.455 68 A HA 0.944 5.266 4.320 0.003 0.000 0.300 68 A C -0.442 177.242 177.584 0.168 0.000 1.040 68 A CA 0.112 52.206 52.037 0.096 0.000 0.697 68 A CB 1.342 20.367 19.000 0.042 0.000 1.265 68 A HN 2.540 nan 8.150 nan 0.000 0.407 69 A N 1.100 123.994 122.820 0.124 0.000 2.414 69 A HA 0.751 5.073 4.320 0.003 0.000 0.306 69 A C -1.129 176.521 177.584 0.110 0.000 1.054 69 A CA -0.510 51.619 52.037 0.153 0.000 0.724 69 A CB 1.538 20.599 19.000 0.102 0.000 1.267 69 A HN 1.385 nan 8.150 nan 0.000 0.418 70 V N 2.827 122.827 119.914 0.143 0.000 2.409 70 V HA 0.633 4.755 4.120 0.003 0.000 0.291 70 V C 0.077 176.243 176.094 0.120 0.000 1.020 70 V CA -0.371 61.998 62.300 0.114 0.000 0.848 70 V CB 1.014 32.919 31.823 0.137 0.000 0.990 70 V HN 1.175 nan 8.190 nan 0.000 0.430 71 V N 1.594 121.565 119.914 0.094 0.000 3.155 71 V HA 0.783 4.905 4.120 0.003 0.000 0.313 71 V C -0.176 175.992 176.094 0.123 0.000 1.162 71 V CA -0.616 61.745 62.300 0.101 0.000 1.048 71 V CB 2.018 33.886 31.823 0.074 0.000 1.092 71 V HN 0.688 nan 8.190 nan 0.000 0.447 72 T N 0.497 115.135 114.554 0.140 0.000 2.918 72 T HA 0.536 4.888 4.350 0.003 0.000 0.283 72 T C -0.585 174.246 174.700 0.218 0.000 1.001 72 T CA -0.306 61.930 62.100 0.227 0.000 1.041 72 T CB 0.614 69.639 68.868 0.262 0.000 1.028 72 T HN 0.680 nan 8.240 nan 0.000 0.511 73 F N 3.064 123.086 119.950 0.120 0.000 2.607 73 F HA 0.229 4.757 4.527 0.003 0.000 0.374 73 F C 1.691 177.513 175.800 0.037 0.000 1.104 73 F CA 1.290 59.278 58.000 -0.020 0.000 1.296 73 F CB -0.299 38.488 39.000 -0.355 0.000 1.085 73 F HN 0.911 nan 8.300 nan 0.000 0.584 74 S N 1.193 116.534 115.700 -0.597 0.000 4.024 74 S HA -0.356 4.116 4.470 0.003 0.000 0.420 74 S C 1.568 176.102 174.600 -0.110 0.000 1.771 74 S CA 2.345 60.351 58.200 -0.323 0.000 4.062 74 S CB -1.838 61.295 63.200 -0.113 0.000 0.800 74 S HN 1.148 nan 8.310 nan 0.000 0.459 75 V N 0.761 120.622 119.914 -0.089 0.000 2.469 75 V HA 0.078 4.200 4.120 0.003 0.000 0.251 75 V C 2.151 178.204 176.094 -0.068 0.000 1.064 75 V CA 2.596 64.835 62.300 -0.102 0.000 1.066 75 V CB -1.561 30.116 31.823 -0.244 0.000 0.667 75 V HN 0.719 nan 8.190 nan 0.000 0.461 76 G N -0.353 108.415 108.800 -0.055 0.000 2.471 76 G HA2 0.126 4.088 3.960 0.003 0.000 0.211 76 G HA3 0.126 4.088 3.960 0.003 0.000 0.211 76 G C 1.723 176.617 174.900 -0.010 0.000 1.194 76 G CA 0.808 45.903 45.100 -0.010 0.000 0.816 76 G HN 0.784 nan 8.290 nan 0.000 0.545 77 A N 0.828 123.634 122.820 -0.024 0.000 1.908 77 A HA 0.002 4.324 4.320 0.003 0.000 0.218 77 A C 2.397 179.966 177.584 -0.025 0.000 1.181 77 A CA 1.388 53.418 52.037 -0.010 0.000 0.627 77 A CB -0.437 18.550 19.000 -0.021 0.000 0.818 77 A HN 0.378 nan 8.150 nan 0.000 0.445 78 I N 0.680 121.222 120.570 -0.045 0.000 2.179 78 I HA -0.274 3.898 4.170 0.003 0.000 0.242 78 I C 2.834 178.947 176.117 -0.006 0.000 1.088 78 I CA 1.725 63.010 61.300 -0.025 0.000 1.357 78 I CB -0.299 37.696 38.000 -0.009 0.000 1.051 78 I HN 0.481 nan 8.210 nan 0.000 0.409 79 S N 1.151 116.849 115.700 -0.003 0.000 2.402 79 S HA -0.049 4.423 4.470 0.003 0.000 0.229 79 S C 2.172 176.749 174.600 -0.039 0.000 1.021 79 S CA 0.711 58.914 58.200 0.005 0.000 0.974 79 S CB -0.530 62.683 63.200 0.021 0.000 0.800 79 S HN 0.420 nan 8.310 nan 0.000 0.484 80 A N 1.815 124.606 122.820 -0.048 0.000 2.015 80 A HA 0.153 4.475 4.320 0.003 0.000 0.219 80 A C 2.194 179.717 177.584 -0.102 0.000 1.163 80 A CA 1.234 53.217 52.037 -0.090 0.000 0.646 80 A CB -0.792 18.185 19.000 -0.039 0.000 0.806 80 A HN 0.545 nan 8.150 nan 0.000 0.448 81 M N -0.420 119.149 119.600 -0.052 0.000 2.358 81 M HA -0.133 4.348 4.480 0.003 0.000 0.264 81 M C 2.030 178.305 176.300 -0.041 0.000 1.064 81 M CA 0.984 56.256 55.300 -0.047 0.000 1.093 81 M CB -0.342 32.239 32.600 -0.030 0.000 1.401 81 M HN 0.503 nan 8.290 nan 0.000 0.440 82 N N 0.971 119.664 118.700 -0.011 0.000 2.084 82 N HA -0.105 4.637 4.740 0.003 0.000 0.190 82 N C 1.606 177.059 175.510 -0.095 0.000 1.030 82 N CA 1.903 55.023 53.050 0.118 0.000 0.849 82 N CB -0.054 38.521 38.487 0.147 0.000 1.012 82 N HN 0.334 nan 8.380 nan 0.000 0.423 83 A N 1.426 123.976 122.820 -0.450 0.000 1.930 83 A HA -0.038 4.284 4.320 0.003 0.000 0.217 83 A C 2.557 179.905 177.584 -0.394 0.000 1.175 83 A CA 0.735 52.327 52.037 -0.743 0.000 0.627 83 A CB -0.713 17.756 19.000 -0.885 0.000 0.815 83 A HN 0.347 nan 8.150 nan 0.000 0.443 84 L N -0.730 120.336 121.223 -0.261 0.000 2.012 84 L HA -0.193 4.149 4.340 0.003 0.000 0.210 84 L C 2.842 179.552 176.870 -0.267 0.000 1.073 84 L CA 1.463 56.198 54.840 -0.176 0.000 0.748 84 L CB -0.932 41.078 42.059 -0.081 0.000 0.891 84 L HN 0.519 nan 8.230 nan 0.000 0.431 85 G N -0.699 107.863 108.800 -0.398 0.000 2.440 85 G HA2 -0.235 3.726 3.960 0.003 0.000 0.218 85 G HA3 -0.235 3.726 3.960 0.003 0.000 0.218 85 G C 1.516 175.609 174.900 -1.344 0.000 1.154 85 G CA 0.795 45.463 45.100 -0.719 0.000 0.767 85 G HN 0.524 nan 8.290 nan 0.000 0.552 86 G N 1.164 109.001 108.800 -1.605 0.000 2.446 86 G HA2 -0.002 3.960 3.960 0.003 0.000 0.217 86 G HA3 -0.002 3.960 3.960 0.003 0.000 0.217 86 G C 2.078 176.703 174.900 -0.459 0.000 1.168 86 G CA 1.622 45.902 45.100 -1.366 0.000 0.771 86 G HN 0.673 nan 8.290 nan 0.000 0.551 87 A N -0.257 122.404 122.820 -0.265 0.000 1.902 87 A HA -0.055 4.266 4.320 0.003 0.000 0.217 87 A C 2.233 179.763 177.584 -0.089 0.000 1.181 87 A CA 1.747 53.725 52.037 -0.099 0.000 0.623 87 A CB -0.677 18.288 19.000 -0.058 0.000 0.818 87 A HN 0.439 nan 8.150 nan 0.000 0.443 88 Y N 0.422 120.585 120.300 -0.229 0.000 2.145 88 Y HA -0.122 4.430 4.550 0.004 0.000 0.286 88 Y C 2.764 178.585 175.900 -0.132 0.000 1.145 88 Y CA 1.293 59.295 58.100 -0.163 0.000 1.148 88 Y CB -0.532 37.826 38.460 -0.171 0.000 0.981 88 Y HN 0.318 nan 8.280 nan 0.000 0.507 89 A N -0.210 122.639 122.820 0.049 0.000 1.940 89 A HA -0.155 4.167 4.320 0.003 0.000 0.219 89 A C 1.759 179.363 177.584 0.033 0.000 1.176 89 A CA 1.926 54.017 52.037 0.090 0.000 0.631 89 A CB -0.399 18.699 19.000 0.163 0.000 0.814 89 A HN 0.479 nan 8.150 nan 0.000 0.446 90 E N 0.207 120.395 120.200 -0.020 0.000 2.465 90 E HA 0.050 4.402 4.350 0.003 0.000 0.195 90 E C -0.533 176.052 176.600 -0.025 0.000 1.028 90 E CA -0.240 56.152 56.400 -0.014 0.000 0.899 90 E CB -0.256 29.442 29.700 -0.003 0.000 1.032 90 E HN 0.584 nan 8.360 nan 0.000 0.468 91 N N 0.751 119.407 118.700 -0.073 0.000 2.738 91 N HA -0.207 4.535 4.740 0.003 0.000 0.249 91 N C -0.758 174.703 175.510 -0.081 0.000 1.047 91 N CA 0.643 53.626 53.050 -0.111 0.000 0.707 91 N CB -1.482 36.952 38.487 -0.088 0.000 0.937 91 N HN 0.222 nan 8.380 nan 0.000 0.545 92 L N 0.712 121.894 121.223 -0.069 0.000 2.356 92 L HA 0.423 4.765 4.340 0.003 0.000 0.277 92 L C -1.995 174.853 176.870 -0.036 0.000 0.996 92 L CA -1.686 53.138 54.840 -0.027 0.000 0.822 92 L CB 2.240 44.314 42.059 0.026 0.000 1.256 92 L HN -0.186 nan 8.230 nan 0.000 0.413 93 P HA 0.097 nan 4.420 nan 0.000 0.244 93 P C -0.407 176.902 177.300 0.015 0.000 1.769 93 P CA -0.092 62.995 63.100 -0.022 0.000 1.102 93 P CB 0.345 32.030 31.700 -0.024 0.000 1.937 94 V N 4.870 124.794 119.914 0.016 0.000 2.546 94 V HA 0.219 4.341 4.120 0.003 0.000 0.284 94 V C 0.914 177.024 176.094 0.027 0.000 1.050 94 V CA -0.391 61.929 62.300 0.033 0.000 0.981 94 V CB 1.133 32.970 31.823 0.022 0.000 0.990 94 V HN 0.276 nan 8.190 nan 0.000 0.474 95 I N 5.553 126.143 120.570 0.032 0.000 2.330 95 I HA 0.315 4.486 4.170 0.003 0.000 0.289 95 I C -0.408 175.721 176.117 0.020 0.000 1.001 95 I CA -0.367 60.946 61.300 0.021 0.000 1.193 95 I CB 1.451 39.456 38.000 0.008 0.000 1.345 95 I HN 0.426 nan 8.210 nan 0.000 0.461 96 L N 8.872 130.110 121.223 0.025 0.000 2.265 96 L HA 0.525 4.867 4.340 0.003 0.000 0.288 96 L C -0.719 176.103 176.870 -0.079 0.000 1.058 96 L CA 0.116 54.966 54.840 0.017 0.000 0.809 96 L CB 0.574 42.680 42.059 0.079 0.000 1.179 96 L HN 0.389 nan 8.230 nan 0.000 0.429 97 I N 4.385 124.910 120.570 -0.074 0.000 2.355 97 I HA 0.367 4.538 4.170 0.003 0.000 0.288 97 I C 0.173 176.233 176.117 -0.095 0.000 0.999 97 I CA 0.097 61.314 61.300 -0.137 0.000 1.163 97 I CB 1.650 39.601 38.000 -0.083 0.000 1.316 97 I HN 0.588 nan 8.210 nan 0.000 0.454 98 S N 4.006 119.606 115.700 -0.166 0.000 2.525 98 S HA 0.732 5.204 4.470 0.003 0.000 0.290 98 S C 0.290 174.904 174.600 0.023 0.000 1.152 98 S CA -0.645 57.545 58.200 -0.017 0.000 1.072 98 S CB 0.983 64.217 63.200 0.057 0.000 1.027 98 S HN 0.780 nan 8.310 nan 0.000 0.500 99 G N 2.002 110.863 108.800 0.101 0.000 2.544 99 G HA2 0.554 4.516 3.960 0.003 0.000 0.242 99 G HA3 0.554 4.516 3.960 0.003 0.000 0.242 99 G C -0.295 174.639 174.900 0.056 0.000 1.247 99 G CA 0.086 45.255 45.100 0.116 0.000 0.840 99 G HN 1.066 nan 8.290 nan 0.000 0.578 100 A N 2.673 125.418 122.820 -0.125 0.000 2.556 100 A HA 0.890 5.212 4.320 0.003 0.000 0.294 100 A C -2.834 174.354 177.584 -0.661 0.000 1.091 100 A CA -1.476 50.252 52.037 -0.516 0.000 0.704 100 A CB 1.552 20.391 19.000 -0.269 0.000 1.300 100 A HN 0.516 nan 8.150 nan 0.000 0.406 101 P HA -0.018 nan 4.420 nan 0.000 0.267 101 P C -0.281 176.904 177.300 -0.191 0.000 1.201 101 P CA -0.236 62.488 63.100 -0.628 0.000 0.775 101 P CB 0.354 31.477 31.700 -0.962 0.000 0.854 102 N N 1.331 120.021 118.700 -0.015 0.000 2.292 102 N HA -0.092 4.650 4.740 0.003 0.000 0.258 102 N C 1.198 176.724 175.510 0.028 0.000 1.261 102 N CA 0.703 53.769 53.050 0.027 0.000 0.845 102 N CB 0.517 39.040 38.487 0.061 0.000 1.064 102 N HN 0.362 nan 8.380 nan 0.000 0.471 103 S N 3.063 118.777 115.700 0.024 0.000 2.442 103 S HA -0.092 4.380 4.470 0.003 0.000 0.236 103 S C 1.142 175.764 174.600 0.037 0.000 1.007 103 S CA 0.644 58.861 58.200 0.028 0.000 0.965 103 S CB -0.054 63.154 63.200 0.015 0.000 0.773 103 S HN 0.634 nan 8.310 nan 0.000 0.504 104 N N 1.630 120.355 118.700 0.042 0.000 2.512 104 N HA -0.011 4.731 4.740 0.003 0.000 0.183 104 N C 0.499 176.043 175.510 0.057 0.000 1.073 104 N CA 0.877 53.952 53.050 0.041 0.000 0.911 104 N CB -0.210 38.305 38.487 0.046 0.000 0.964 104 N HN 0.501 nan 8.380 nan 0.000 0.447 105 D N 0.722 121.180 120.400 0.098 0.000 2.323 105 D HA -0.047 4.595 4.640 0.003 0.000 0.209 105 D C 0.657 177.021 176.300 0.106 0.000 0.973 105 D CA 0.353 54.442 54.000 0.150 0.000 0.874 105 D CB 0.179 41.108 40.800 0.214 0.000 0.930 105 D HN 0.251 nan 8.370 nan 0.000 0.521 106 Q N -0.159 119.692 119.800 0.084 0.000 2.274 106 Q HA 0.284 4.626 4.340 0.003 0.000 0.280 106 Q C 0.933 176.898 176.000 -0.058 0.000 1.047 106 Q CA 0.821 56.626 55.803 0.003 0.000 0.907 106 Q CB 0.419 29.149 28.738 -0.013 0.000 1.171 106 Q HN 0.293 nan 8.270 nan 0.000 0.381 107 G N 2.514 111.255 108.800 -0.098 0.000 2.168 107 G HA2 -0.322 3.640 3.960 0.003 0.000 0.257 107 G HA3 -0.322 3.640 3.960 0.003 0.000 0.257 107 G C 0.551 175.390 174.900 -0.102 0.000 0.997 107 G CA 0.802 45.846 45.100 -0.092 0.000 0.708 107 G HN 0.792 nan 8.290 nan 0.000 0.520 108 T N -3.506 110.960 114.554 -0.146 0.000 3.014 108 T HA 0.447 4.799 4.350 0.003 0.000 0.250 108 T C 2.333 176.903 174.700 -0.216 0.000 1.060 108 T CA 1.513 63.454 62.100 -0.265 0.000 1.040 108 T CB 0.519 69.032 68.868 -0.592 0.000 0.971 108 T HN 2.104 nan 8.240 nan 0.000 0.497 109 G N 1.209 109.954 108.800 -0.092 0.000 2.157 109 G HA2 -0.238 3.724 3.960 0.003 0.000 0.248 109 G HA3 -0.238 3.724 3.960 0.003 0.000 0.248 109 G C -0.093 174.880 174.900 0.122 0.000 0.979 109 G CA 0.041 45.147 45.100 0.011 0.000 0.650 109 G HN 0.789 nan 8.290 nan 0.000 0.529 110 H N -0.220 118.899 119.070 0.083 0.000 2.848 110 H HA 0.392 4.950 4.556 0.003 0.000 0.341 110 H C 0.849 176.252 175.328 0.125 0.000 1.060 110 H CA -0.228 55.875 56.048 0.092 0.000 1.444 110 H CB 0.746 30.562 29.762 0.090 0.000 1.446 110 H HN 0.260 nan 8.280 nan 0.000 0.583 111 I N 4.945 125.649 120.570 0.224 0.000 2.395 111 I HA 0.101 4.273 4.170 0.003 0.000 0.289 111 I C -0.202 176.000 176.117 0.142 0.000 1.023 111 I CA -0.045 61.361 61.300 0.178 0.000 1.350 111 I CB 0.692 38.771 38.000 0.133 0.000 1.409 111 I HN 0.273 nan 8.210 nan 0.000 0.507 112 L N 5.540 126.840 121.223 0.129 0.000 2.330 112 L HA 0.443 4.785 4.340 0.003 0.000 0.271 112 L C 0.266 177.187 176.870 0.085 0.000 1.013 112 L CA -1.075 53.803 54.840 0.064 0.000 0.816 112 L CB 1.324 43.326 42.059 -0.095 0.000 1.287 112 L HN 0.596 nan 8.230 nan 0.000 0.435 113 H N 0.687 119.784 119.070 0.044 0.000 2.771 113 H HA 0.043 4.601 4.556 0.003 0.000 0.364 113 H C -0.272 175.145 175.328 0.147 0.000 1.133 113 H CA -0.062 55.980 56.048 -0.011 0.000 1.423 113 H CB 0.416 30.034 29.762 -0.240 0.000 1.425 113 H HN 0.706 nan 8.280 nan 0.000 0.606 114 H N -1.229 118.006 119.070 0.275 0.000 2.992 114 H HA -0.180 4.378 4.556 0.003 0.000 0.266 114 H C 0.227 175.740 175.328 0.307 0.000 1.200 114 H CA 1.132 57.349 56.048 0.282 0.000 1.135 114 H CB -2.314 27.678 29.762 0.382 0.000 1.282 114 H HN 0.973 nan 8.280 nan 0.000 0.351 115 T N -2.659 112.119 114.554 0.374 0.000 2.926 115 T HA 0.610 4.961 4.350 0.003 0.000 0.289 115 T C 1.747 176.597 174.700 0.251 0.000 1.054 115 T CA -0.526 61.829 62.100 0.426 0.000 1.015 115 T CB 1.718 70.850 68.868 0.440 0.000 1.167 115 T HN 0.232 nan 8.240 nan 0.000 0.526 116 I N -1.521 119.131 120.570 0.138 0.000 3.334 116 I HA 0.421 4.593 4.170 0.003 0.000 0.282 116 I C 1.495 177.641 176.117 0.047 0.000 1.313 116 I CA 0.399 61.689 61.300 -0.018 0.000 1.396 116 I CB -0.912 36.933 38.000 -0.258 0.000 1.054 116 I HN 1.049 nan 8.210 nan 0.000 0.495 117 G N 1.160 110.033 108.800 0.122 0.000 2.163 117 G HA2 -0.220 3.742 3.960 0.003 0.000 0.213 117 G HA3 -0.220 3.742 3.960 0.003 0.000 0.213 117 G C 0.157 175.126 174.900 0.114 0.000 0.991 117 G CA -0.143 45.025 45.100 0.114 0.000 0.653 117 G HN 0.481 nan 8.290 nan 0.000 0.518 118 K N -0.138 120.342 120.400 0.134 0.000 2.148 118 K HA 0.559 4.881 4.320 0.003 0.000 0.239 118 K C 2.021 178.722 176.600 0.168 0.000 1.018 118 K CA 0.091 56.453 56.287 0.125 0.000 0.923 118 K CB 0.656 33.221 32.500 0.108 0.000 1.117 118 K HN 0.184 nan 8.250 nan 0.000 0.477 119 T N -2.528 112.101 114.554 0.126 0.000 2.995 119 T HA -0.106 4.246 4.350 0.003 0.000 0.269 119 T C 0.520 175.283 174.700 0.105 0.000 1.091 119 T CA 0.752 62.925 62.100 0.122 0.000 1.128 119 T CB -0.186 68.723 68.868 0.068 0.000 0.891 119 T HN 0.666 nan 8.240 nan 0.000 0.492 120 D N 0.382 120.829 120.400 0.077 0.000 2.414 120 D HA 0.227 4.869 4.640 0.003 0.000 0.241 120 D C -0.656 175.708 176.300 0.106 0.000 1.008 120 D CA -1.249 52.704 54.000 -0.078 0.000 1.001 120 D CB 1.435 42.172 40.800 -0.103 0.000 1.277 120 D HN 0.511 nan 8.370 nan 0.000 0.538 121 Y N -1.634 118.745 120.300 0.132 0.000 2.909 121 Y HA 0.285 4.837 4.550 0.003 0.000 0.239 121 Y C 0.594 176.476 175.900 -0.030 0.000 1.023 121 Y CA -0.462 57.730 58.100 0.154 0.000 1.124 121 Y CB -0.301 38.249 38.460 0.151 0.000 1.226 121 Y HN 0.214 nan 8.280 nan 0.000 0.652 122 S N -1.132 114.561 115.700 -0.012 0.000 2.603 122 S HA -0.104 4.368 4.470 0.003 0.000 0.220 122 S C 1.367 175.963 174.600 -0.007 0.000 0.967 122 S CA 0.491 58.681 58.200 -0.018 0.000 0.920 122 S CB -1.101 62.075 63.200 -0.039 0.000 0.773 122 S HN 0.711 nan 8.310 nan 0.000 0.529 123 Y N 1.248 121.608 120.300 0.100 0.000 2.293 123 Y HA -0.032 4.521 4.550 0.004 0.000 0.291 123 Y C 2.404 178.296 175.900 -0.014 0.000 1.137 123 Y CA 1.082 59.204 58.100 0.036 0.000 1.202 123 Y CB -0.783 37.700 38.460 0.040 0.000 0.990 123 Y HN 0.349 nan 8.280 nan 0.000 0.537 124 Q N 0.642 120.128 119.800 -0.523 0.000 2.050 124 Q HA -0.193 4.149 4.340 0.003 0.000 0.202 124 Q C 2.221 178.047 176.000 -0.291 0.000 0.980 124 Q CA 1.865 57.437 55.803 -0.386 0.000 0.840 124 Q CB -0.245 28.116 28.738 -0.628 0.000 0.898 124 Q HN 0.583 nan 8.270 nan 0.000 0.424 125 L N 1.109 122.212 121.223 -0.200 0.000 2.083 125 L HA -0.157 4.185 4.340 0.003 0.000 0.209 125 L C 1.995 178.739 176.870 -0.210 0.000 1.083 125 L CA 1.829 56.523 54.840 -0.244 0.000 0.752 125 L CB -0.431 41.619 42.059 -0.016 0.000 0.899 125 L HN 0.199 nan 8.230 nan 0.000 0.433 126 E N -0.536 119.601 120.200 -0.105 0.000 2.110 126 E HA -0.215 4.137 4.350 0.003 0.000 0.193 126 E C 2.181 178.730 176.600 -0.084 0.000 0.988 126 E CA 1.700 58.063 56.400 -0.063 0.000 0.804 126 E CB -0.290 29.407 29.700 -0.005 0.000 0.745 126 E HN 0.596 nan 8.360 nan 0.000 0.458 127 M N -0.046 119.496 119.600 -0.096 0.000 2.200 127 M HA -0.071 4.411 4.480 0.003 0.000 0.265 127 M C 2.340 178.542 176.300 -0.163 0.000 1.066 127 M CA 1.406 56.650 55.300 -0.093 0.000 1.127 127 M CB -0.194 32.375 32.600 -0.053 0.000 1.379 127 M HN 0.029 nan 8.290 nan 0.000 0.420 128 A N 0.391 123.028 122.820 -0.304 0.000 1.969 128 A HA -0.122 4.200 4.320 0.003 0.000 0.218 128 A C 2.134 179.581 177.584 -0.230 0.000 1.169 128 A CA 1.306 53.110 52.037 -0.389 0.000 0.635 128 A CB -0.562 17.837 19.000 -1.001 0.000 0.810 128 A HN 0.410 nan 8.150 nan 0.000 0.445 129 R N -1.100 119.290 120.500 -0.183 0.000 2.105 129 R HA -0.165 4.177 4.340 0.003 0.000 0.239 129 R C 2.252 178.503 176.300 -0.083 0.000 1.135 129 R CA 1.506 57.553 56.100 -0.090 0.000 0.967 129 R CB -0.257 30.007 30.300 -0.060 0.000 0.861 129 R HN 0.443 nan 8.270 nan 0.000 0.442 130 Q N 0.034 119.775 119.800 -0.099 0.000 2.234 130 Q HA -0.107 4.235 4.340 0.003 0.000 0.206 130 Q C 1.588 177.484 176.000 -0.174 0.000 0.980 130 Q CA 1.362 57.101 55.803 -0.108 0.000 0.869 130 Q CB 0.183 28.873 28.738 -0.079 0.000 0.912 130 Q HN 0.389 nan 8.270 nan 0.000 0.436 131 V N -3.327 116.488 119.914 -0.164 0.000 3.070 131 V HA 0.447 4.569 4.120 0.003 0.000 0.345 131 V C 0.006 176.048 176.094 -0.086 0.000 1.403 131 V CA 0.165 62.331 62.300 -0.222 0.000 1.155 131 V CB 0.021 31.753 31.823 -0.152 0.000 1.140 131 V HN 0.141 nan 8.190 nan 0.000 0.505 132 T N -2.956 111.600 114.554 0.004 0.000 2.883 132 T HA 0.389 4.741 4.350 0.003 0.000 0.296 132 T C 0.758 175.608 174.700 0.249 0.000 1.117 132 T CA 0.110 62.319 62.100 0.183 0.000 1.006 132 T CB 1.348 70.282 68.868 0.110 0.000 1.191 132 T HN 0.524 nan 8.240 nan 0.000 0.508 133 C N -0.156 119.277 119.300 0.221 0.000 2.634 133 C HA 0.772 5.234 4.460 0.003 0.000 0.268 133 C C 0.930 175.970 174.990 0.084 0.000 1.322 133 C CA 0.118 59.226 59.018 0.150 0.000 1.737 133 C CB -1.574 26.194 27.740 0.046 0.000 1.976 133 C HN 1.178 nan 8.230 nan 0.000 0.547 134 A N 0.106 122.973 122.820 0.078 0.000 2.547 134 A HA 0.841 5.162 4.320 0.003 0.000 0.297 134 A C -0.975 176.695 177.584 0.143 0.000 1.056 134 A CA 0.426 52.516 52.037 0.088 0.000 0.688 134 A CB 0.781 19.742 19.000 -0.066 0.000 1.282 134 A HN 1.675 nan 8.150 nan 0.000 0.400 135 A N 1.874 124.810 122.820 0.192 0.000 2.466 135 A HA 0.738 5.060 4.320 0.003 0.000 0.284 135 A C -1.239 176.501 177.584 0.259 0.000 1.049 135 A CA -0.377 51.822 52.037 0.269 0.000 0.760 135 A CB 1.161 20.257 19.000 0.160 0.000 1.274 135 A HN 0.639 nan 8.150 nan 0.000 0.412 136 E N 0.538 120.904 120.200 0.277 0.000 2.317 136 E HA 0.587 4.939 4.350 0.003 0.000 0.270 136 E C -1.152 175.541 176.600 0.156 0.000 0.885 136 E CA -0.543 55.964 56.400 0.179 0.000 0.760 136 E CB 2.259 32.041 29.700 0.137 0.000 1.227 136 E HN 0.435 nan 8.360 nan 0.000 0.434 137 S N 2.026 117.797 115.700 0.118 0.000 2.530 137 S HA 0.524 4.996 4.470 0.003 0.000 0.322 137 S C -0.417 174.206 174.600 0.040 0.000 1.085 137 S CA -0.577 57.680 58.200 0.094 0.000 1.096 137 S CB 0.073 63.344 63.200 0.118 0.000 0.988 137 S HN 0.347 nan 8.310 nan 0.000 0.466 138 I N 4.125 124.701 120.570 0.010 0.000 2.325 138 I HA 0.280 4.452 4.170 0.003 0.000 0.291 138 I C 1.054 177.169 176.117 -0.003 0.000 1.019 138 I CA -0.079 61.218 61.300 -0.004 0.000 1.302 138 I CB 1.649 39.634 38.000 -0.024 0.000 1.401 138 I HN 0.591 nan 8.210 nan 0.000 0.485 139 T N 3.779 118.333 114.554 0.001 0.000 3.087 139 T HA 0.100 4.452 4.350 0.003 0.000 0.283 139 T C -0.513 174.189 174.700 0.004 0.000 0.956 139 T CA -0.196 61.906 62.100 0.002 0.000 0.894 139 T CB -0.125 68.747 68.868 0.006 0.000 1.160 139 T HN 0.839 nan 8.240 nan 0.000 0.532 140 D N -0.669 119.734 120.400 0.005 0.000 2.654 140 D HA 0.403 5.045 4.640 0.003 0.000 0.231 140 D C 0.709 177.015 176.300 0.011 0.000 1.239 140 D CA -0.459 53.549 54.000 0.013 0.000 0.790 140 D CB 1.460 42.275 40.800 0.025 0.000 1.480 140 D HN -0.046 nan 8.370 nan 0.000 0.442 141 A N 0.782 123.612 122.820 0.017 0.000 1.968 141 A HA -0.201 4.121 4.320 0.003 0.000 0.217 141 A C 1.953 179.532 177.584 -0.007 0.000 1.169 141 A CA 1.330 53.365 52.037 -0.004 0.000 0.638 141 A CB -1.009 17.996 19.000 0.008 0.000 0.812 141 A HN 0.792 nan 8.150 nan 0.000 0.446 142 H N 0.940 119.980 119.070 -0.050 0.000 2.326 142 H HA -0.107 4.451 4.556 0.003 0.000 0.301 142 H C 2.145 177.434 175.328 -0.066 0.000 1.081 142 H CA 2.050 58.068 56.048 -0.051 0.000 1.334 142 H CB 0.052 29.794 29.762 -0.033 0.000 1.385 142 H HN 0.569 nan 8.280 nan 0.000 0.504 143 S N -0.063 115.645 115.700 0.013 0.000 2.593 143 S HA 0.214 4.686 4.470 0.003 0.000 0.217 143 S C 2.177 176.718 174.600 -0.099 0.000 0.966 143 S CA 0.340 58.514 58.200 -0.043 0.000 0.914 143 S CB 0.069 63.289 63.200 0.033 0.000 0.776 143 S HN 0.510 nan 8.310 nan 0.000 0.523 144 A N 3.338 126.081 122.820 -0.130 0.000 1.865 144 A HA 0.087 4.409 4.320 0.003 0.000 0.217 144 A C 0.074 177.505 177.584 -0.256 0.000 1.191 144 A CA 1.463 53.404 52.037 -0.160 0.000 0.623 144 A CB -1.852 17.050 19.000 -0.163 0.000 0.826 144 A HN 0.522 nan 8.150 nan 0.000 0.444 145 P HA -0.174 nan 4.420 nan 0.000 0.215 145 P C 1.779 178.998 177.300 -0.136 0.000 1.157 145 P CA 2.148 64.909 63.100 -0.566 0.000 0.874 145 P CB -0.170 31.194 31.700 -0.561 0.000 0.790 146 A N -0.168 122.589 122.820 -0.105 0.000 1.908 146 A HA -0.239 4.083 4.320 0.003 0.000 0.218 146 A C 2.119 179.727 177.584 0.039 0.000 1.181 146 A CA 1.855 53.881 52.037 -0.019 0.000 0.627 146 A CB -1.062 17.912 19.000 -0.044 0.000 0.818 146 A HN 0.147 nan 8.150 nan 0.000 0.445 147 K N -0.587 119.822 120.400 0.016 0.000 2.025 147 K HA -0.028 4.294 4.320 0.003 0.000 0.207 147 K C 1.876 178.539 176.600 0.105 0.000 1.049 147 K CA 1.445 57.773 56.287 0.069 0.000 0.933 147 K CB -0.380 32.139 32.500 0.031 0.000 0.714 147 K HN 0.519 nan 8.250 nan 0.000 0.438 148 I N 1.711 122.324 120.570 0.071 0.000 2.163 148 I HA -0.306 3.866 4.170 0.003 0.000 0.243 148 I C 1.692 177.889 176.117 0.133 0.000 1.085 148 I CA 1.381 62.747 61.300 0.110 0.000 1.347 148 I CB -0.320 37.789 38.000 0.182 0.000 1.044 148 I HN 0.128 nan 8.210 nan 0.000 0.408 149 D N -0.523 119.977 120.400 0.166 0.000 2.117 149 D HA -0.237 4.405 4.640 0.003 0.000 0.197 149 D C 1.984 178.351 176.300 0.112 0.000 0.987 149 D CA 1.410 55.493 54.000 0.139 0.000 0.829 149 D CB -0.433 40.458 40.800 0.151 0.000 0.961 149 D HN 0.428 nan 8.370 nan 0.000 0.460 150 H N 0.582 119.677 119.070 0.042 0.000 2.319 150 H HA -0.115 4.443 4.556 0.003 0.000 0.299 150 H C 2.016 177.364 175.328 0.034 0.000 1.092 150 H CA 2.551 58.619 56.048 0.033 0.000 1.302 150 H CB -0.304 29.475 29.762 0.028 0.000 1.373 150 H HN 0.067 nan 8.280 nan 0.000 0.497 151 V N -0.833 119.036 119.914 -0.076 0.000 2.358 151 V HA -0.155 3.967 4.120 0.003 0.000 0.246 151 V C 2.414 178.445 176.094 -0.104 0.000 1.047 151 V CA 1.974 64.195 62.300 -0.131 0.000 1.035 151 V CB -0.853 30.970 31.823 0.000 0.000 0.658 151 V HN 0.470 nan 8.190 nan 0.000 0.452 152 I N -0.028 120.517 120.570 -0.043 0.000 2.142 152 I HA -0.181 3.991 4.170 0.003 0.000 0.240 152 I C 3.153 179.242 176.117 -0.046 0.000 1.078 152 I CA 2.059 63.342 61.300 -0.029 0.000 1.343 152 I CB -0.456 37.543 38.000 -0.002 0.000 1.046 152 I HN 0.213 nan 8.210 nan 0.000 0.405 153 R N 0.049 120.521 120.500 -0.047 0.000 2.096 153 R HA -0.123 4.219 4.340 0.003 0.000 0.235 153 R C 2.325 178.579 176.300 -0.076 0.000 1.127 153 R CA 1.935 58.009 56.100 -0.044 0.000 0.968 153 R CB -0.552 29.741 30.300 -0.013 0.000 0.861 153 R HN 0.393 nan 8.270 nan 0.000 0.440 154 T N 0.909 115.374 114.554 -0.149 0.000 2.737 154 T HA -0.110 4.242 4.350 0.003 0.000 0.265 154 T C 1.968 176.603 174.700 -0.108 0.000 1.038 154 T CA 1.337 63.341 62.100 -0.159 0.000 1.144 154 T CB -0.271 68.416 68.868 -0.302 0.000 0.866 154 T HN 0.350 nan 8.240 nan 0.000 0.434 155 A N 1.567 124.328 122.820 -0.100 0.000 1.873 155 A HA -0.071 4.251 4.320 0.003 0.000 0.218 155 A C 2.340 179.884 177.584 -0.065 0.000 1.193 155 A CA 1.473 53.467 52.037 -0.072 0.000 0.629 155 A CB -1.015 17.956 19.000 -0.048 0.000 0.826 155 A HN 0.477 nan 8.150 nan 0.000 0.447 156 L N -1.294 119.898 121.223 -0.051 0.000 2.046 156 L HA -0.171 4.170 4.340 0.003 0.000 0.208 156 L C 2.825 179.668 176.870 -0.046 0.000 1.077 156 L CA 1.796 56.611 54.840 -0.040 0.000 0.747 156 L CB -0.509 41.533 42.059 -0.027 0.000 0.896 156 L HN 0.515 nan 8.230 nan 0.000 0.432 157 R N 0.537 121.008 120.500 -0.048 0.000 2.075 157 R HA -0.154 4.188 4.340 0.003 0.000 0.232 157 R C 1.888 178.154 176.300 -0.056 0.000 1.126 157 R CA 1.506 57.580 56.100 -0.043 0.000 0.963 157 R CB 0.004 30.283 30.300 -0.035 0.000 0.858 157 R HN 0.375 nan 8.270 nan 0.000 0.435 158 E N -0.114 120.042 120.200 -0.073 0.000 2.474 158 E HA 0.014 4.366 4.350 0.003 0.000 0.194 158 E C -0.396 176.128 176.600 -0.126 0.000 1.041 158 E CA -0.137 56.206 56.400 -0.095 0.000 0.874 158 E CB 0.485 30.123 29.700 -0.103 0.000 0.914 158 E HN 0.133 nan 8.360 nan 0.000 0.498 159 R N 1.269 121.704 120.500 -0.110 0.000 3.264 159 R HA -0.140 4.202 4.340 0.003 0.000 0.251 159 R C -0.950 175.240 176.300 -0.183 0.000 0.971 159 R CA 0.673 56.702 56.100 -0.117 0.000 0.658 159 R CB -1.259 28.979 30.300 -0.102 0.000 1.095 159 R HN -0.043 nan 8.270 nan 0.000 0.443 160 K N -0.387 119.896 120.400 -0.195 0.000 2.482 160 K HA 0.538 4.860 4.320 0.003 0.000 0.257 160 K C -2.621 173.899 176.600 -0.133 0.000 0.969 160 K CA -2.200 53.913 56.287 -0.290 0.000 0.842 160 K CB 2.111 34.340 32.500 -0.451 0.000 1.359 160 K HN -0.145 nan 8.250 nan 0.000 0.441 161 P HA 0.343 nan 4.420 nan 0.000 0.276 161 P C -1.149 176.178 177.300 0.044 0.000 1.252 161 P CA -0.382 62.720 63.100 0.003 0.000 0.802 161 P CB 1.062 32.775 31.700 0.023 0.000 1.035 162 A N 1.202 124.053 122.820 0.052 0.000 2.532 162 A HA 0.678 5.000 4.320 0.003 0.000 0.290 162 A C -1.937 175.729 177.584 0.138 0.000 1.143 162 A CA -0.625 51.461 52.037 0.083 0.000 0.728 162 A CB 1.336 20.352 19.000 0.028 0.000 1.317 162 A HN 0.592 nan 8.150 nan 0.000 0.414 163 Y N 0.201 120.510 120.300 0.014 0.000 2.462 163 Y HA 0.768 5.320 4.550 0.003 0.000 0.346 163 Y C -1.534 174.383 175.900 0.028 0.000 0.976 163 Y CA -0.950 57.160 58.100 0.016 0.000 1.044 163 Y CB 1.552 40.019 38.460 0.012 0.000 1.230 163 Y HN 0.675 nan 8.280 nan 0.000 0.455 164 L N 5.452 126.269 121.223 -0.677 0.000 2.410 164 L HA 0.384 4.726 4.340 0.003 0.000 0.270 164 L C -1.502 174.916 176.870 -0.753 0.000 0.983 164 L CA -0.859 53.659 54.840 -0.537 0.000 0.822 164 L CB 2.015 43.938 42.059 -0.227 0.000 1.285 164 L HN 0.714 nan 8.230 nan 0.000 0.409 165 D N 3.886 124.034 120.400 -0.421 0.000 2.168 165 D HA 0.574 5.216 4.640 0.003 0.000 0.246 165 D C -0.599 175.646 176.300 -0.093 0.000 1.050 165 D CA 0.053 53.945 54.000 -0.180 0.000 0.857 165 D CB 2.259 43.074 40.800 0.026 0.000 1.169 165 D HN 0.231 nan 8.370 nan 0.000 0.453 166 I N 1.668 122.199 120.570 -0.065 0.000 2.447 166 I HA 0.353 4.525 4.170 0.003 0.000 0.287 166 I C 0.219 176.317 176.117 -0.032 0.000 1.023 166 I CA -1.062 60.215 61.300 -0.039 0.000 1.083 166 I CB 1.897 39.877 38.000 -0.034 0.000 1.245 166 I HN 0.290 nan 8.210 nan 0.000 0.434 167 A N 4.439 127.239 122.820 -0.033 0.000 2.546 167 A HA 0.043 4.365 4.320 0.003 0.000 0.243 167 A C 1.490 179.072 177.584 -0.004 0.000 1.063 167 A CA -0.008 52.005 52.037 -0.040 0.000 0.757 167 A CB 0.029 19.014 19.000 -0.024 0.000 0.991 167 A HN 1.136 nan 8.150 nan 0.000 0.503 168 C N 2.323 121.638 119.300 0.024 0.000 2.413 168 C HA -0.144 4.318 4.460 0.003 0.000 0.277 168 C C 2.073 177.088 174.990 0.042 0.000 1.265 168 C CA 1.083 60.141 59.018 0.067 0.000 1.752 168 C CB -1.382 26.446 27.740 0.147 0.000 1.998 168 C HN 0.915 nan 8.230 nan 0.000 0.489 169 N N 1.652 120.372 118.700 0.033 0.000 2.512 169 N HA -0.017 4.725 4.740 0.003 0.000 0.183 169 N C 1.302 176.820 175.510 0.013 0.000 1.073 169 N CA 0.994 54.058 53.050 0.023 0.000 0.911 169 N CB -0.566 37.936 38.487 0.025 0.000 0.964 169 N HN 0.617 nan 8.380 nan 0.000 0.447 170 I N 0.380 120.954 120.570 0.008 0.000 3.645 170 I HA 0.134 4.306 4.170 0.003 0.000 0.300 170 I C 2.275 178.388 176.117 -0.008 0.000 1.260 170 I CA 0.124 61.424 61.300 -0.000 0.000 1.365 170 I CB 0.081 38.079 38.000 -0.004 0.000 1.077 170 I HN 0.082 nan 8.210 nan 0.000 0.439 171 A N -0.191 122.626 122.820 -0.005 0.000 1.978 171 A HA -0.200 4.122 4.320 0.003 0.000 0.220 171 A C 2.366 179.938 177.584 -0.021 0.000 1.170 171 A CA 2.170 54.199 52.037 -0.013 0.000 0.636 171 A CB -0.540 18.458 19.000 -0.003 0.000 0.810 171 A HN 0.359 nan 8.150 nan 0.000 0.448 172 S N -0.299 115.394 115.700 -0.012 0.000 2.528 172 S HA 0.048 4.520 4.470 0.003 0.000 0.219 172 S C 0.546 175.140 174.600 -0.010 0.000 0.985 172 S CA -0.118 58.074 58.200 -0.013 0.000 0.914 172 S CB -0.063 63.136 63.200 -0.003 0.000 0.776 172 S HN 0.535 nan 8.310 nan 0.000 0.526 173 E N 2.429 122.626 120.200 -0.006 0.000 2.373 173 E HA 0.180 4.532 4.350 0.003 0.000 0.267 173 E C -2.539 174.067 176.600 0.011 0.000 1.032 173 E CA -2.249 54.153 56.400 0.004 0.000 0.889 173 E CB 0.065 29.768 29.700 0.005 0.000 0.984 173 E HN 0.102 nan 8.360 nan 0.000 0.425 174 P HA -0.030 nan 4.420 nan 0.000 0.267 174 P C -0.426 176.912 177.300 0.063 0.000 1.200 174 P CA 0.034 63.167 63.100 0.055 0.000 0.772 174 P CB 0.553 32.285 31.700 0.054 0.000 0.855 175 C N 2.861 122.234 119.300 0.121 0.000 3.082 175 C HA 0.496 4.957 4.460 0.003 0.000 0.324 175 C C -0.114 174.995 174.990 0.199 0.000 1.210 175 C CA -0.588 58.500 59.018 0.117 0.000 1.366 175 C CB 0.869 28.669 27.740 0.100 0.000 1.756 175 C HN 0.607 nan 8.230 nan 0.000 0.485 176 V N 3.493 123.466 119.914 0.099 0.000 3.237 176 V HA 0.487 4.609 4.120 0.003 0.000 0.305 176 V C 0.257 176.470 176.094 0.199 0.000 1.096 176 V CA -0.087 62.268 62.300 0.092 0.000 1.130 176 V CB 0.140 31.982 31.823 0.032 0.000 1.048 176 V HN 0.950 nan 8.190 nan 0.000 0.484 177 R N 2.534 123.018 120.500 -0.028 0.000 2.500 177 R HA 0.511 4.853 4.340 0.003 0.000 0.277 177 R C -2.371 173.936 176.300 0.012 0.000 1.026 177 R CA -1.632 54.339 56.100 -0.215 0.000 1.058 177 R CB 0.807 30.771 30.300 -0.560 0.000 1.078 177 R HN 0.703 nan 8.270 nan 0.000 0.509 178 P HA 0.108 nan 4.420 nan 0.000 0.279 178 P C -0.306 176.923 177.300 -0.119 0.000 1.239 178 P CA -0.342 62.645 63.100 -0.188 0.000 0.789 178 P CB 1.076 32.442 31.700 -0.556 0.000 0.933 179 G N 3.123 111.886 108.800 -0.061 0.000 2.562 179 G HA2 0.435 4.397 3.960 0.003 0.000 0.275 179 G HA3 0.435 4.397 3.960 0.003 0.000 0.275 179 G C -2.298 172.567 174.900 -0.057 0.000 1.196 179 G CA -1.146 43.924 45.100 -0.051 0.000 0.908 179 G HN 0.417 nan 8.290 nan 0.000 0.524 180 P HA 0.291 nan 4.420 nan 0.000 0.271 180 P C -0.276 177.005 177.300 -0.031 0.000 1.218 180 P CA -0.084 62.992 63.100 -0.040 0.000 0.780 180 P CB 1.344 33.025 31.700 -0.032 0.000 0.901 181 V N -1.697 118.200 119.914 -0.030 0.000 2.962 181 V HA 0.431 4.553 4.120 0.003 0.000 0.313 181 V C 1.252 177.336 176.094 -0.017 0.000 1.099 181 V CA -0.540 61.747 62.300 -0.021 0.000 0.971 181 V CB 1.239 33.049 31.823 -0.022 0.000 1.028 181 V HN 0.494 nan 8.190 nan 0.000 0.430 182 S N 1.230 116.923 115.700 -0.011 0.000 2.345 182 S HA 0.061 4.533 4.470 0.003 0.000 0.220 182 S C 0.928 175.522 174.600 -0.010 0.000 1.031 182 S CA 1.657 59.852 58.200 -0.009 0.000 0.996 182 S CB -0.137 63.060 63.200 -0.005 0.000 0.882 182 S HN 1.517 nan 8.310 nan 0.000 0.445 183 S N -1.225 114.469 115.700 -0.009 0.000 2.552 183 S HA 0.437 4.909 4.470 0.003 0.000 0.272 183 S C -0.598 173.996 174.600 -0.009 0.000 1.150 183 S CA -0.687 57.507 58.200 -0.010 0.000 0.849 183 S CB 0.737 63.932 63.200 -0.007 0.000 1.113 183 S HN 0.069 nan 8.310 nan 0.000 0.458 184 L N 2.306 123.522 121.223 -0.011 0.000 2.554 184 L HA 0.466 4.807 4.340 0.003 0.000 0.226 184 L C 0.336 177.200 176.870 -0.009 0.000 1.137 184 L CA 0.718 55.552 54.840 -0.010 0.000 0.863 184 L CB -0.590 41.461 42.059 -0.013 0.000 0.985 184 L HN 0.688 nan 8.230 nan 0.000 0.451 185 L N 0.471 121.688 121.223 -0.009 0.000 2.265 185 L HA 0.453 4.795 4.340 0.003 0.000 0.288 185 L C -0.009 176.857 176.870 -0.006 0.000 1.058 185 L CA -0.002 54.832 54.840 -0.011 0.000 0.809 185 L CB 0.939 42.990 42.059 -0.013 0.000 1.179 185 L HN 0.186 nan 8.230 nan 0.000 0.429 186 S N 3.761 119.458 115.700 -0.005 0.000 2.775 186 S HA 0.538 5.010 4.470 0.003 0.000 0.277 186 S C -0.688 173.913 174.600 0.000 0.000 1.156 186 S CA -0.957 57.244 58.200 0.001 0.000 1.081 186 S CB 0.811 64.015 63.200 0.006 0.000 1.054 186 S HN 0.675 nan 8.310 nan 0.000 0.482 187 E N 3.183 123.384 120.200 0.002 0.000 2.392 187 E HA 0.325 4.677 4.350 0.003 0.000 0.256 187 E C -2.175 174.430 176.600 0.008 0.000 1.145 187 E CA -1.707 54.694 56.400 0.001 0.000 0.929 187 E CB -0.232 29.471 29.700 0.004 0.000 0.998 187 E HN 0.490 nan 8.360 nan 0.000 0.442 188 P HA -0.011 nan 4.420 nan 0.000 0.271 188 P C -0.390 176.921 177.300 0.018 0.000 1.218 188 P CA -0.064 63.042 63.100 0.011 0.000 0.780 188 P CB 0.366 32.069 31.700 0.004 0.000 0.901 189 E N 2.732 122.948 120.200 0.026 0.000 2.452 189 E HA 0.044 4.396 4.350 0.003 0.000 0.261 189 E C 0.163 176.779 176.600 0.026 0.000 0.987 189 E CA -0.601 55.821 56.400 0.035 0.000 0.926 189 E CB 0.402 30.131 29.700 0.048 0.000 0.934 189 E HN 0.335 nan 8.360 nan 0.000 0.452 190 I N 2.725 123.297 120.570 0.002 0.000 2.529 190 I HA 0.016 4.188 4.170 0.003 0.000 0.284 190 I C -0.285 175.772 176.117 -0.100 0.000 1.082 190 I CA 0.006 61.273 61.300 -0.056 0.000 1.406 190 I CB 0.966 38.891 38.000 -0.125 0.000 1.405 190 I HN 0.732 nan 8.210 nan 0.000 0.548 191 D N 6.647 127.045 120.400 -0.005 0.000 2.365 191 D HA 0.068 4.710 4.640 0.003 0.000 0.237 191 D C 0.766 177.079 176.300 0.022 0.000 1.190 191 D CA -0.000 54.031 54.000 0.052 0.000 0.867 191 D CB 0.398 41.267 40.800 0.114 0.000 1.050 191 D HN 0.581 nan 8.370 nan 0.000 0.491 192 H N 1.305 120.427 119.070 0.086 0.000 2.462 192 H HA -0.040 4.518 4.556 0.003 0.000 0.292 192 H C 1.758 177.115 175.328 0.048 0.000 1.049 192 H CA 1.407 57.485 56.048 0.050 0.000 1.334 192 H CB 0.550 30.329 29.762 0.028 0.000 1.404 192 H HN 0.340 nan 8.280 nan 0.000 0.544 193 T N -0.957 113.698 114.554 0.170 0.000 2.708 193 T HA -0.213 4.139 4.350 0.003 0.000 0.266 193 T C 2.264 177.051 174.700 0.145 0.000 1.037 193 T CA 1.565 63.744 62.100 0.132 0.000 1.146 193 T CB -0.364 68.574 68.868 0.115 0.000 0.865 193 T HN 0.275 nan 8.240 nan 0.000 0.435 194 S N 0.488 116.302 115.700 0.189 0.000 2.368 194 S HA 0.060 4.532 4.470 0.003 0.000 0.224 194 S C 1.983 176.717 174.600 0.224 0.000 1.029 194 S CA 0.532 58.913 58.200 0.300 0.000 0.988 194 S CB -0.513 62.911 63.200 0.374 0.000 0.838 194 S HN 0.379 nan 8.310 nan 0.000 0.462 195 L N 1.366 122.600 121.223 0.019 0.000 2.012 195 L HA -0.157 4.185 4.340 0.003 0.000 0.210 195 L C 2.656 179.388 176.870 -0.230 0.000 1.073 195 L CA 1.964 56.543 54.840 -0.436 0.000 0.748 195 L CB -0.562 41.261 42.059 -0.393 0.000 0.891 195 L HN 0.389 nan 8.230 nan 0.000 0.431 196 K N -0.351 120.004 120.400 -0.075 0.000 2.063 196 K HA -0.216 4.106 4.320 0.003 0.000 0.208 196 K C 1.925 178.485 176.600 -0.066 0.000 1.048 196 K CA 1.538 57.795 56.287 -0.049 0.000 0.928 196 K CB -0.070 32.437 32.500 0.011 0.000 0.713 196 K HN 0.416 nan 8.250 nan 0.000 0.442 197 A N 0.805 123.607 122.820 -0.030 0.000 1.930 197 A HA -0.032 4.290 4.320 0.003 0.000 0.217 197 A C 2.261 179.620 177.584 -0.374 0.000 1.175 197 A CA 1.641 53.654 52.037 -0.040 0.000 0.627 197 A CB -0.556 18.560 19.000 0.195 0.000 0.815 197 A HN 0.467 nan 8.150 nan 0.000 0.443 198 A N -0.514 121.970 122.820 -0.560 0.000 1.898 198 A HA 0.040 4.362 4.320 0.003 0.000 0.216 198 A C 2.215 179.683 177.584 -0.194 0.000 1.181 198 A CA 1.716 53.288 52.037 -0.775 0.000 0.620 198 A CB -0.841 17.954 19.000 -0.341 0.000 0.819 198 A HN 0.349 nan 8.150 nan 0.000 0.442 199 V N 0.609 120.463 119.914 -0.099 0.000 2.307 199 V HA -0.227 3.895 4.120 0.003 0.000 0.245 199 V C 2.194 178.228 176.094 -0.101 0.000 1.045 199 V CA 2.260 64.498 62.300 -0.105 0.000 1.024 199 V CB -0.887 30.819 31.823 -0.196 0.000 0.651 199 V HN 0.469 nan 8.190 nan 0.000 0.449 200 D N 0.647 120.987 120.400 -0.100 0.000 2.116 200 D HA -0.169 4.473 4.640 0.003 0.000 0.193 200 D C 2.196 178.469 176.300 -0.047 0.000 0.998 200 D CA 1.815 55.778 54.000 -0.063 0.000 0.836 200 D CB -0.398 40.378 40.800 -0.041 0.000 0.951 200 D HN 0.442 nan 8.370 nan 0.000 0.449 201 A N -0.010 122.765 122.820 -0.075 0.000 1.930 201 A HA -0.135 4.187 4.320 0.003 0.000 0.217 201 A C 2.342 179.930 177.584 0.007 0.000 1.175 201 A CA 1.989 54.013 52.037 -0.022 0.000 0.627 201 A CB -0.747 18.238 19.000 -0.024 0.000 0.815 201 A HN 0.234 nan 8.150 nan 0.000 0.443 202 T N -0.528 114.030 114.554 0.006 0.000 2.812 202 T HA -0.075 4.277 4.350 0.003 0.000 0.264 202 T C 1.874 176.583 174.700 0.015 0.000 1.042 202 T CA 1.380 63.513 62.100 0.055 0.000 1.140 202 T CB -0.353 68.605 68.868 0.150 0.000 0.870 202 T HN 0.131 nan 8.240 nan 0.000 0.445 203 V N 1.821 121.723 119.914 -0.019 0.000 2.295 203 V HA -0.188 3.934 4.120 0.003 0.000 0.246 203 V C 2.912 179.000 176.094 -0.010 0.000 1.049 203 V CA 1.758 64.041 62.300 -0.028 0.000 1.024 203 V CB -1.219 30.576 31.823 -0.047 0.000 0.648 203 V HN 0.531 nan 8.190 nan 0.000 0.447 204 A N -0.196 122.622 122.820 -0.003 0.000 1.883 204 A HA -0.241 4.081 4.320 0.003 0.000 0.217 204 A C 2.179 179.770 177.584 0.012 0.000 1.186 204 A CA 2.314 54.354 52.037 0.006 0.000 0.624 204 A CB -0.666 18.343 19.000 0.013 0.000 0.822 204 A HN 0.462 nan 8.150 nan 0.000 0.444 205 L N -0.385 120.850 121.223 0.021 0.000 2.046 205 L HA -0.089 4.253 4.340 0.003 0.000 0.208 205 L C 2.293 179.173 176.870 0.017 0.000 1.077 205 L CA 1.650 56.505 54.840 0.025 0.000 0.747 205 L CB -0.485 41.597 42.059 0.038 0.000 0.896 205 L HN 0.406 nan 8.230 nan 0.000 0.432 206 L N -0.794 120.438 121.223 0.014 0.000 2.046 206 L HA -0.213 4.129 4.340 0.003 0.000 0.208 206 L C 2.525 179.397 176.870 0.003 0.000 1.077 206 L CA 1.435 56.279 54.840 0.007 0.000 0.747 206 L CB -0.497 41.562 42.059 0.001 0.000 0.896 206 L HN 0.335 nan 8.230 nan 0.000 0.432 207 E N 0.442 120.643 120.200 0.000 0.000 2.118 207 E HA -0.262 4.090 4.350 0.003 0.000 0.195 207 E C 1.769 178.370 176.600 0.002 0.000 0.992 207 E CA 1.583 57.983 56.400 -0.001 0.000 0.804 207 E CB 0.082 29.780 29.700 -0.003 0.000 0.741 207 E HN 0.438 nan 8.360 nan 0.000 0.458 208 K N -0.136 120.267 120.400 0.005 0.000 2.417 208 K HA 0.171 4.493 4.320 0.003 0.000 0.196 208 K C 0.040 176.643 176.600 0.005 0.000 1.023 208 K CA -0.002 56.288 56.287 0.005 0.000 1.122 208 K CB 0.776 33.281 32.500 0.007 0.000 0.850 208 K HN -0.207 nan 8.250 nan 0.000 0.521 209 S N 0.310 116.013 115.700 0.005 0.000 2.610 209 S HA 0.473 4.945 4.470 0.003 0.000 0.273 209 S C 0.840 175.441 174.600 0.002 0.000 1.274 209 S CA -0.406 57.796 58.200 0.004 0.000 1.023 209 S CB 1.621 64.824 63.200 0.004 0.000 0.962 209 S HN 0.403 nan 8.310 nan 0.000 0.523 210 A N 1.890 124.711 122.820 0.001 0.000 1.887 210 A HA 0.248 4.569 4.320 0.003 0.000 0.212 210 A C 0.987 178.571 177.584 -0.000 0.000 1.198 210 A CA 0.664 52.702 52.037 0.001 0.000 0.628 210 A CB -0.148 18.853 19.000 0.000 0.000 0.847 210 A HN 0.981 nan 8.150 nan 0.000 0.449 211 S N -0.195 115.503 115.700 -0.002 0.000 2.383 211 S HA 0.564 5.036 4.470 0.003 0.000 0.196 211 S C -3.376 171.219 174.600 -0.009 0.000 1.364 211 S CA -1.394 56.803 58.200 -0.005 0.000 1.212 211 S CB 1.298 64.494 63.200 -0.006 0.000 1.171 211 S HN 0.038 nan 8.310 nan 0.000 0.456 212 P HA 0.460 nan 4.420 nan 0.000 0.275 212 P C -0.729 176.559 177.300 -0.020 0.000 1.227 212 P CA -0.470 62.624 63.100 -0.010 0.000 0.781 212 P CB 1.118 32.817 31.700 -0.002 0.000 0.906 213 V N 3.533 123.429 119.914 -0.031 0.000 2.769 213 V HA 0.448 4.570 4.120 0.003 0.000 0.312 213 V C 0.129 176.192 176.094 -0.052 0.000 1.061 213 V CA -0.689 61.580 62.300 -0.051 0.000 0.931 213 V CB 1.929 33.708 31.823 -0.073 0.000 1.010 213 V HN 0.483 nan 8.190 nan 0.000 0.433 214 M N 4.204 123.759 119.600 -0.076 0.000 2.238 214 M HA 0.552 5.034 4.480 0.003 0.000 0.350 214 M C -1.201 175.042 176.300 -0.095 0.000 1.138 214 M CA -0.554 54.698 55.300 -0.079 0.000 1.040 214 M CB 1.593 34.122 32.600 -0.118 0.000 1.639 214 M HN 0.494 nan 8.290 nan 0.000 0.451 215 L N 5.590 126.784 121.223 -0.048 0.000 2.349 215 L HA 0.612 4.954 4.340 0.003 0.000 0.278 215 L C -1.649 175.221 176.870 0.000 0.000 0.996 215 L CA -0.226 54.599 54.840 -0.024 0.000 0.825 215 L CB 1.130 43.192 42.059 0.006 0.000 1.243 215 L HN 0.625 nan 8.230 nan 0.000 0.412 216 L N 5.067 126.284 121.223 -0.009 0.000 2.309 216 L HA 0.794 5.136 4.340 0.003 0.000 0.282 216 L C 0.687 177.566 176.870 0.014 0.000 1.036 216 L CA -0.530 54.319 54.840 0.016 0.000 0.806 216 L CB 1.461 43.543 42.059 0.038 0.000 1.220 216 L HN 0.766 nan 8.230 nan 0.000 0.429 217 G N -0.045 108.762 108.800 0.012 0.000 2.667 217 G HA2 0.358 4.319 3.960 0.003 0.000 0.310 217 G HA3 0.358 4.319 3.960 0.003 0.000 0.310 217 G C 0.597 175.536 174.900 0.067 0.000 1.259 217 G CA -0.107 44.964 45.100 -0.048 0.000 1.019 217 G HN 0.638 nan 8.290 nan 0.000 0.496 218 S N -1.275 114.421 115.700 -0.007 0.000 2.607 218 S HA 0.038 4.510 4.470 0.003 0.000 0.224 218 S C 1.337 176.060 174.600 0.204 0.000 0.969 218 S CA 0.456 58.735 58.200 0.133 0.000 0.927 218 S CB 0.017 63.172 63.200 -0.076 0.000 0.772 218 S HN 0.505 nan 8.310 nan 0.000 0.533 219 K N 0.168 120.608 120.400 0.067 0.000 2.404 219 K HA 0.292 4.614 4.320 0.003 0.000 0.194 219 K C 1.241 177.815 176.600 -0.044 0.000 1.023 219 K CA -0.156 56.134 56.287 0.004 0.000 1.094 219 K CB -0.079 32.402 32.500 -0.032 0.000 0.841 219 K HN 0.215 nan 8.250 nan 0.000 0.523 220 L N 1.529 122.732 121.223 -0.034 0.000 2.083 220 L HA -0.159 4.183 4.340 0.003 0.000 0.209 220 L C 2.330 179.013 176.870 -0.313 0.000 1.083 220 L CA 1.747 56.508 54.840 -0.132 0.000 0.752 220 L CB -0.255 41.777 42.059 -0.045 0.000 0.899 220 L HN 0.082 nan 8.230 nan 0.000 0.433 221 R N -1.088 119.051 120.500 -0.601 0.000 2.073 221 R HA -0.066 4.276 4.340 0.003 0.000 0.229 221 R C 2.200 178.343 176.300 -0.262 0.000 1.120 221 R CA 1.143 56.909 56.100 -0.558 0.000 0.967 221 R CB -0.319 29.500 30.300 -0.801 0.000 0.862 221 R HN 0.409 nan 8.270 nan 0.000 0.436 222 A N 0.751 123.461 122.820 -0.184 0.000 1.933 222 A HA -0.082 4.240 4.320 0.003 0.000 0.218 222 A C 2.204 179.731 177.584 -0.094 0.000 1.175 222 A CA 1.624 53.596 52.037 -0.110 0.000 0.628 222 A CB -0.672 18.278 19.000 -0.083 0.000 0.814 222 A HN 0.508 nan 8.150 nan 0.000 0.444 223 A N -0.882 121.882 122.820 -0.093 0.000 2.239 223 A HA 0.125 4.447 4.320 0.003 0.000 0.209 223 A C 0.995 178.545 177.584 -0.056 0.000 1.171 223 A CA 0.937 52.938 52.037 -0.060 0.000 0.768 223 A CB -0.704 18.273 19.000 -0.038 0.000 0.790 223 A HN 0.834 nan 8.150 nan 0.000 0.478 224 N N -2.291 116.356 118.700 -0.089 0.000 2.714 224 N HA -0.214 4.528 4.740 0.003 0.000 0.253 224 N C 0.196 175.669 175.510 -0.060 0.000 1.024 224 N CA 1.036 54.037 53.050 -0.081 0.000 0.726 224 N CB -1.313 37.141 38.487 -0.055 0.000 0.908 224 N HN 0.638 nan 8.380 nan 0.000 0.542 225 A N -0.148 122.627 122.820 -0.074 0.000 2.609 225 A HA 0.376 4.698 4.320 0.003 0.000 0.286 225 A C 1.659 179.227 177.584 -0.028 0.000 1.138 225 A CA -0.304 51.715 52.037 -0.030 0.000 0.960 225 A CB 0.168 19.167 19.000 -0.001 0.000 1.208 225 A HN 0.300 nan 8.150 nan 0.000 0.541 226 L N -0.626 120.558 121.223 -0.066 0.000 1.988 226 L HA -0.160 4.182 4.340 0.003 0.000 0.207 226 L C 3.041 179.909 176.870 -0.005 0.000 1.071 226 L CA 1.617 56.432 54.840 -0.042 0.000 0.744 226 L CB -0.691 41.313 42.059 -0.091 0.000 0.893 226 L HN 0.440 nan 8.230 nan 0.000 0.433 227 A N 0.164 122.971 122.820 -0.023 0.000 1.902 227 A HA -0.179 4.143 4.320 0.003 0.000 0.217 227 A C 2.522 180.110 177.584 0.007 0.000 1.181 227 A CA 1.838 53.867 52.037 -0.015 0.000 0.623 227 A CB -0.762 18.224 19.000 -0.022 0.000 0.818 227 A HN 0.424 nan 8.150 nan 0.000 0.443 228 A N -1.213 121.613 122.820 0.009 0.000 1.933 228 A HA -0.090 4.232 4.320 0.003 0.000 0.218 228 A C 2.291 179.898 177.584 0.037 0.000 1.175 228 A CA 2.297 54.343 52.037 0.015 0.000 0.628 228 A CB -1.204 17.804 19.000 0.014 0.000 0.814 228 A HN 0.431 nan 8.150 nan 0.000 0.444 229 T N 0.141 114.734 114.554 0.064 0.000 2.708 229 T HA -0.145 4.207 4.350 0.003 0.000 0.266 229 T C 1.838 176.641 174.700 0.171 0.000 1.037 229 T CA 1.709 63.874 62.100 0.109 0.000 1.146 229 T CB -0.257 68.696 68.868 0.142 0.000 0.865 229 T HN 0.907 nan 8.240 nan 0.000 0.435 230 E N 0.415 120.719 120.200 0.173 0.000 2.358 230 E HA -0.056 4.296 4.350 0.003 0.000 0.195 230 E C 1.799 178.481 176.600 0.136 0.000 1.010 230 E CA 1.017 57.525 56.400 0.181 0.000 0.856 230 E CB -0.323 29.340 29.700 -0.063 0.000 0.795 230 E HN 0.269 nan 8.360 nan 0.000 0.504 231 T N 1.359 115.962 114.554 0.082 0.000 2.777 231 T HA -0.109 4.243 4.350 0.003 0.000 0.266 231 T C 1.667 176.402 174.700 0.059 0.000 1.040 231 T CA 1.125 63.261 62.100 0.059 0.000 1.141 231 T CB -0.226 68.656 68.868 0.023 0.000 0.868 231 T HN 0.135 nan 8.240 nan 0.000 0.444 232 L N 1.505 122.756 121.223 0.047 0.000 2.083 232 L HA 0.113 4.455 4.340 0.003 0.000 0.209 232 L C 2.566 179.468 176.870 0.053 0.000 1.083 232 L CA 1.753 56.607 54.840 0.023 0.000 0.752 232 L CB -0.928 41.131 42.059 -0.001 0.000 0.899 232 L HN 0.215 nan 8.230 nan 0.000 0.433 233 A N -0.914 121.964 122.820 0.097 0.000 1.972 233 A HA -0.201 4.121 4.320 0.003 0.000 0.219 233 A C 1.963 179.669 177.584 0.203 0.000 1.169 233 A CA 1.797 53.908 52.037 0.123 0.000 0.635 233 A CB -0.730 18.349 19.000 0.133 0.000 0.810 233 A HN 0.534 nan 8.150 nan 0.000 0.446 234 D N -0.523 120.005 120.400 0.214 0.000 2.144 234 D HA -0.112 4.530 4.640 0.003 0.000 0.200 234 D C 1.929 178.290 176.300 0.102 0.000 0.978 234 D CA 1.570 55.682 54.000 0.186 0.000 0.833 234 D CB -0.105 40.781 40.800 0.142 0.000 0.961 234 D HN 0.446 nan 8.370 nan 0.000 0.470 235 K N 0.591 121.032 120.400 0.068 0.000 2.031 235 K HA 0.049 4.371 4.320 0.003 0.000 0.205 235 K C 2.118 178.737 176.600 0.031 0.000 1.049 235 K CA 0.587 56.894 56.287 0.034 0.000 0.939 235 K CB -0.337 32.168 32.500 0.008 0.000 0.717 235 K HN 0.053 nan 8.250 nan 0.000 0.438 236 L N 0.330 121.575 121.223 0.036 0.000 2.217 236 L HA -0.093 4.249 4.340 0.003 0.000 0.211 236 L C 0.694 177.589 176.870 0.041 0.000 1.107 236 L CA 0.873 55.730 54.840 0.027 0.000 0.783 236 L CB -0.103 41.966 42.059 0.018 0.000 0.919 236 L HN 0.380 nan 8.230 nan 0.000 0.442 237 Q N -1.622 118.221 119.800 0.071 0.000 2.305 237 Q HA -0.252 4.090 4.340 0.003 0.000 0.203 237 Q C 0.616 176.661 176.000 0.076 0.000 0.663 237 Q CA 1.266 57.118 55.803 0.082 0.000 1.389 237 Q CB -2.701 26.068 28.738 0.051 0.000 1.566 237 Q HN 0.713 nan 8.270 nan 0.000 0.755 238 C N -1.067 118.266 119.300 0.056 0.000 2.480 238 C HA 0.835 5.297 4.460 0.003 0.000 0.344 238 C C 1.256 176.260 174.990 0.022 0.000 1.380 238 C CA -0.262 58.773 59.018 0.027 0.000 2.386 238 C CB 0.512 28.255 27.740 0.003 0.000 2.210 238 C HN 0.505 nan 8.230 nan 0.000 0.640 239 A N 0.855 123.670 122.820 -0.008 0.000 2.488 239 A HA 0.528 4.850 4.320 0.003 0.000 0.249 239 A C -0.147 177.378 177.584 -0.099 0.000 1.083 239 A CA -0.126 51.889 52.037 -0.037 0.000 0.768 239 A CB -0.286 18.684 19.000 -0.052 0.000 1.017 239 A HN 1.185 nan 8.150 nan 0.000 0.496 240 V N 3.348 123.171 119.914 -0.152 0.000 2.409 240 V HA 0.602 4.724 4.120 0.003 0.000 0.291 240 V C 0.433 176.356 176.094 -0.284 0.000 1.020 240 V CA 0.017 62.132 62.300 -0.307 0.000 0.848 240 V CB 1.442 32.849 31.823 -0.692 0.000 0.990 240 V HN 1.124 nan 8.190 nan 0.000 0.430 241 T N 2.686 117.105 114.554 -0.225 0.000 2.924 241 T HA 0.867 5.219 4.350 0.003 0.000 0.291 241 T C -0.586 174.081 174.700 -0.056 0.000 1.045 241 T CA -0.739 61.261 62.100 -0.167 0.000 1.015 241 T CB 2.081 70.888 68.868 -0.101 0.000 1.103 241 T HN 0.607 nan 8.240 nan 0.000 0.496 242 I N -0.845 119.741 120.570 0.025 0.000 2.603 242 I HA 0.606 4.778 4.170 0.003 0.000 0.300 242 I C -0.065 176.061 176.117 0.015 0.000 1.017 242 I CA -1.519 59.809 61.300 0.046 0.000 1.098 242 I CB 1.764 39.827 38.000 0.105 0.000 1.279 242 I HN 0.536 nan 8.210 nan 0.000 0.437 243 M N 3.129 122.698 119.600 -0.051 0.000 2.247 243 M HA 0.340 4.822 4.480 0.003 0.000 0.326 243 M C 1.497 177.565 176.300 -0.388 0.000 1.134 243 M CA -0.213 54.983 55.300 -0.173 0.000 1.136 243 M CB 1.404 33.896 32.600 -0.180 0.000 1.454 243 M HN 0.963 nan 8.290 nan 0.000 0.467 244 A N 1.841 124.230 122.820 -0.718 0.000 1.896 244 A HA -0.199 4.123 4.320 0.003 0.000 0.220 244 A C 2.032 179.161 177.584 -0.758 0.000 1.206 244 A CA 2.597 54.059 52.037 -0.959 0.000 0.647 244 A CB -1.122 16.662 19.000 -2.027 0.000 0.828 244 A HN 0.958 nan 8.150 nan 0.000 0.455 245 A N -1.325 121.061 122.820 -0.724 0.000 2.239 245 A HA 0.445 4.766 4.320 0.003 0.000 0.209 245 A C 1.780 178.993 177.584 -0.618 0.000 1.171 245 A CA 1.283 52.949 52.037 -0.619 0.000 0.768 245 A CB -0.565 18.128 19.000 -0.512 0.000 0.790 245 A HN 1.170 nan 8.150 nan 0.000 0.478 246 A N -0.581 121.892 122.820 -0.578 0.000 2.423 246 A HA 0.329 4.651 4.320 0.003 0.000 0.246 246 A C 0.782 177.954 177.584 -0.687 0.000 1.278 246 A CA -0.220 51.384 52.037 -0.721 0.000 0.903 246 A CB -0.341 18.530 19.000 -0.214 0.000 0.997 246 A HN 0.352 nan 8.150 nan 0.000 0.510 247 K N 0.377 120.446 120.400 -0.551 0.000 2.453 247 K HA 0.313 4.634 4.320 0.003 0.000 0.280 247 K C 1.202 177.605 176.600 -0.328 0.000 1.045 247 K CA 1.247 57.337 56.287 -0.328 0.000 1.059 247 K CB -0.190 32.158 32.500 -0.254 0.000 0.901 247 K HN 0.768 nan 8.250 nan 0.000 0.475 248 G N 3.938 112.656 108.800 -0.137 0.000 2.194 248 G HA2 -0.218 3.744 3.960 0.003 0.000 0.236 248 G HA3 -0.218 3.744 3.960 0.003 0.000 0.236 248 G C 0.287 175.305 174.900 0.198 0.000 0.987 248 G CA 0.001 45.088 45.100 -0.021 0.000 0.635 248 G HN 0.570 nan 8.290 nan 0.000 0.520 249 F N -0.241 119.711 119.950 0.004 0.000 2.811 249 F HA 0.571 5.100 4.527 0.003 0.000 0.301 249 F C 0.758 176.629 175.800 0.118 0.000 1.151 249 F CA -0.765 57.256 58.000 0.034 0.000 1.412 249 F CB -0.301 38.716 39.000 0.027 0.000 1.113 249 F HN 0.168 nan 8.300 nan 0.000 0.579 250 F N 1.536 121.532 119.950 0.077 0.000 2.596 250 F HA 0.483 5.011 4.527 0.003 0.000 0.311 250 F C -2.612 173.095 175.800 -0.155 0.000 1.116 250 F CA -2.835 55.150 58.000 -0.024 0.000 0.957 250 F CB 1.665 40.675 39.000 0.016 0.000 1.250 250 F HN -0.324 nan 8.300 nan 0.000 0.444 251 P HA 0.117 nan 4.420 nan 0.000 0.270 251 P C -0.332 176.730 177.300 -0.397 0.000 1.242 251 P CA 0.246 63.088 63.100 -0.430 0.000 0.768 251 P CB 0.756 32.221 31.700 -0.392 0.000 0.820 252 E N 1.543 121.465 120.200 -0.463 0.000 2.478 252 E HA -0.145 4.207 4.350 0.003 0.000 0.198 252 E C 0.734 177.258 176.600 -0.126 0.000 1.046 252 E CA 0.567 56.579 56.400 -0.647 0.000 0.870 252 E CB -0.106 29.214 29.700 -0.633 0.000 0.818 252 E HN 0.523 nan 8.360 nan 0.000 0.527 253 D N 0.273 120.621 120.400 -0.086 0.000 2.218 253 D HA -0.107 4.535 4.640 0.003 0.000 0.204 253 D C 0.592 176.930 176.300 0.063 0.000 0.976 253 D CA 0.730 54.723 54.000 -0.011 0.000 0.853 253 D CB 0.001 40.769 40.800 -0.054 0.000 0.939 253 D HN 0.160 nan 8.370 nan 0.000 0.481 254 H N -1.077 117.994 119.070 0.001 0.000 2.897 254 H HA 0.209 4.767 4.556 0.003 0.000 0.347 254 H C 1.200 176.638 175.328 0.183 0.000 1.068 254 H CA 0.208 56.303 56.048 0.078 0.000 1.426 254 H CB 1.168 30.996 29.762 0.111 0.000 1.410 254 H HN 0.021 nan 8.280 nan 0.000 0.597 255 A N 3.380 126.179 122.820 -0.035 0.000 2.024 255 A HA -0.118 4.204 4.320 0.003 0.000 0.220 255 A C 2.253 179.994 177.584 0.263 0.000 1.164 255 A CA 1.580 53.665 52.037 0.080 0.000 0.643 255 A CB -0.726 18.249 19.000 -0.041 0.000 0.806 255 A HN 0.849 nan 8.150 nan 0.000 0.451 256 G N -2.247 106.898 108.800 0.575 0.000 2.939 256 G HA2 0.264 4.226 3.960 0.003 0.000 0.210 256 G HA3 0.264 4.226 3.960 0.003 0.000 0.210 256 G C 0.297 175.397 174.900 0.334 0.000 1.160 256 G CA -0.335 45.017 45.100 0.421 0.000 0.770 256 G HN 0.400 nan 8.290 nan 0.000 0.543 257 F N 1.656 121.797 119.950 0.318 0.000 2.543 257 F HA 0.368 4.897 4.527 0.003 0.000 0.375 257 F C 1.197 177.065 175.800 0.115 0.000 1.075 257 F CA -0.399 57.727 58.000 0.211 0.000 1.225 257 F CB 0.892 40.083 39.000 0.318 0.000 1.099 257 F HN -0.145 nan 8.300 nan 0.000 0.561 258 R N 4.051 124.161 120.500 -0.650 0.000 2.509 258 R HA 0.345 4.687 4.340 0.003 0.000 0.297 258 R C 0.603 176.536 176.300 -0.612 0.000 0.951 258 R CA 0.354 56.176 56.100 -0.465 0.000 1.103 258 R CB 0.267 30.436 30.300 -0.218 0.000 1.283 258 R HN 1.003 nan 8.270 nan 0.000 0.534 259 G N 1.151 109.214 108.800 -1.229 0.000 2.428 259 G HA2 -0.218 3.744 3.960 0.003 0.000 0.202 259 G HA3 -0.218 3.744 3.960 0.003 0.000 0.202 259 G C -1.477 173.271 174.900 -0.254 0.000 1.247 259 G CA -0.461 44.231 45.100 -0.680 0.000 1.020 259 G HN 0.125 nan 8.290 nan 0.000 0.529 260 L N 0.590 121.795 121.223 -0.031 0.000 2.275 260 L HA 0.778 5.120 4.340 0.003 0.000 0.288 260 L C -0.290 176.669 176.870 0.148 0.000 1.046 260 L CA -1.036 53.846 54.840 0.070 0.000 0.805 260 L CB 0.933 43.055 42.059 0.106 0.000 1.193 260 L HN 0.831 nan 8.230 nan 0.000 0.426 261 Y N 5.942 126.268 120.300 0.042 0.000 2.353 261 Y HA 0.444 4.996 4.550 0.003 0.000 0.340 261 Y C -1.142 174.888 175.900 0.217 0.000 0.972 261 Y CA -0.260 57.904 58.100 0.108 0.000 1.157 261 Y CB 0.833 39.339 38.460 0.077 0.000 1.157 261 Y HN 0.783 nan 8.280 nan 0.000 0.495 262 W N 7.883 128.881 121.300 -0.502 0.000 1.169 262 W HA 0.403 5.064 4.660 0.003 0.000 0.318 262 W C 0.210 176.533 176.519 -0.326 0.000 0.906 262 W CA -0.555 56.551 57.345 -0.399 0.000 1.379 262 W CB 0.497 29.858 29.460 -0.164 0.000 1.491 262 W HN 0.983 nan 8.180 nan 0.000 0.459 263 G N 2.577 111.163 108.800 -0.356 0.000 2.651 263 G HA2 -0.437 3.525 3.960 0.003 0.000 0.315 263 G HA3 -0.437 3.525 3.960 0.003 0.000 0.315 263 G C 1.107 175.981 174.900 -0.044 0.000 1.258 263 G CA 1.302 46.320 45.100 -0.136 0.000 1.002 263 G HN 0.594 nan 8.290 nan 0.000 0.551 264 E N 0.440 120.617 120.200 -0.039 0.000 2.482 264 E HA 0.138 4.490 4.350 0.003 0.000 0.196 264 E C 2.009 178.590 176.600 -0.031 0.000 1.047 264 E CA 1.422 57.809 56.400 -0.021 0.000 0.869 264 E CB -0.087 29.595 29.700 -0.029 0.000 0.836 264 E HN 1.211 nan 8.360 nan 0.000 0.520 265 V N -1.510 118.366 119.914 -0.064 0.000 3.342 265 V HA 0.229 4.351 4.120 0.003 0.000 0.322 265 V C 0.419 176.545 176.094 0.054 0.000 1.370 265 V CA -0.719 61.555 62.300 -0.043 0.000 1.170 265 V CB -0.024 31.712 31.823 -0.146 0.000 1.101 265 V HN 0.006 nan 8.190 nan 0.000 0.442 266 S N 2.409 118.152 115.700 0.071 0.000 2.580 266 S HA 0.188 4.660 4.470 0.003 0.000 0.266 266 S C 0.386 175.042 174.600 0.094 0.000 1.354 266 S CA -0.157 58.112 58.200 0.115 0.000 1.008 266 S CB 0.013 63.296 63.200 0.138 0.000 0.898 266 S HN 0.701 nan 8.310 nan 0.000 0.555 267 N N 2.698 121.452 118.700 0.090 0.000 2.441 267 N HA 0.161 4.903 4.740 0.003 0.000 0.251 267 N C -2.535 173.007 175.510 0.052 0.000 1.242 267 N CA -1.198 51.888 53.050 0.060 0.000 0.898 267 N CB -0.394 38.114 38.487 0.036 0.000 1.100 267 N HN 0.316 nan 8.380 nan 0.000 0.443 268 P HA -0.027 nan 4.420 nan 0.000 0.261 268 P C 0.949 178.269 177.300 0.033 0.000 1.173 268 P CA 0.675 63.797 63.100 0.036 0.000 0.760 268 P CB 0.251 31.968 31.700 0.028 0.000 0.783 269 G N 1.744 110.567 108.800 0.038 0.000 2.347 269 G HA2 -0.349 3.613 3.960 0.003 0.000 0.247 269 G HA3 -0.349 3.613 3.960 0.003 0.000 0.247 269 G C 1.006 175.932 174.900 0.042 0.000 1.037 269 G CA 0.287 45.407 45.100 0.033 0.000 0.622 269 G HN 0.398 nan 8.290 nan 0.000 0.521 270 V N 1.141 121.089 119.914 0.057 0.000 2.343 270 V HA -0.209 3.913 4.120 0.003 0.000 0.247 270 V C 2.674 178.855 176.094 0.145 0.000 1.051 270 V CA 3.001 65.346 62.300 0.075 0.000 1.036 270 V CB -0.502 31.372 31.823 0.086 0.000 0.654 270 V HN 0.645 nan 8.190 nan 0.000 0.451 271 Q N 0.002 119.927 119.800 0.209 0.000 2.045 271 Q HA -0.287 4.055 4.340 0.003 0.000 0.206 271 Q C 2.414 178.505 176.000 0.151 0.000 0.991 271 Q CA 2.299 58.275 55.803 0.287 0.000 0.851 271 Q CB -0.227 28.647 28.738 0.226 0.000 0.911 271 Q HN 0.666 nan 8.270 nan 0.000 0.418 272 E N 0.117 120.371 120.200 0.090 0.000 2.085 272 E HA -0.205 4.147 4.350 0.003 0.000 0.194 272 E C 2.148 178.757 176.600 0.015 0.000 0.994 272 E CA 0.994 57.422 56.400 0.047 0.000 0.801 272 E CB -0.177 29.545 29.700 0.036 0.000 0.743 272 E HN 0.457 nan 8.360 nan 0.000 0.453 273 L N 0.449 121.676 121.223 0.007 0.000 1.997 273 L HA -0.235 4.107 4.340 0.003 0.000 0.216 273 L C 2.764 179.595 176.870 -0.065 0.000 1.074 273 L CA 2.032 56.857 54.840 -0.026 0.000 0.763 273 L CB -0.487 41.553 42.059 -0.032 0.000 0.890 273 L HN 0.202 nan 8.230 nan 0.000 0.434 274 V N -2.951 116.890 119.914 -0.122 0.000 2.500 274 V HA -0.133 3.989 4.120 0.003 0.000 0.243 274 V C 2.084 178.073 176.094 -0.174 0.000 1.039 274 V CA 1.361 63.526 62.300 -0.225 0.000 1.053 274 V CB -0.174 31.343 31.823 -0.509 0.000 0.695 274 V HN 0.365 nan 8.190 nan 0.000 0.463 275 E N 0.226 120.358 120.200 -0.114 0.000 2.209 275 E HA -0.157 4.194 4.350 0.003 0.000 0.196 275 E C 1.965 178.553 176.600 -0.020 0.000 0.993 275 E CA 1.735 58.118 56.400 -0.028 0.000 0.819 275 E CB -0.128 29.608 29.700 0.060 0.000 0.745 275 E HN 0.668 nan 8.360 nan 0.000 0.477 276 T N -1.085 113.455 114.554 -0.023 0.000 3.054 276 T HA 0.131 4.483 4.350 0.003 0.000 0.255 276 T C 0.277 174.964 174.700 -0.021 0.000 1.035 276 T CA 0.000 62.092 62.100 -0.014 0.000 0.941 276 T CB 0.143 69.009 68.868 -0.003 0.000 1.026 276 T HN 0.024 nan 8.240 nan 0.000 0.533 277 S N 1.339 117.019 115.700 -0.035 0.000 2.552 277 S HA -0.019 4.453 4.470 0.003 0.000 0.289 277 S C 1.260 175.849 174.600 -0.020 0.000 1.304 277 S CA -0.287 57.895 58.200 -0.031 0.000 1.063 277 S CB 0.497 63.670 63.200 -0.044 0.000 0.848 277 S HN 0.317 nan 8.310 nan 0.000 0.499 278 D N 2.962 123.354 120.400 -0.013 0.000 2.149 278 D HA 0.015 4.657 4.640 0.003 0.000 0.198 278 D C 0.330 176.628 176.300 -0.003 0.000 0.990 278 D CA 1.484 55.480 54.000 -0.007 0.000 0.839 278 D CB 0.015 40.813 40.800 -0.004 0.000 0.948 278 D HN 0.674 nan 8.370 nan 0.000 0.460 279 A N 0.194 123.012 122.820 -0.003 0.000 2.684 279 A HA 0.390 4.712 4.320 0.003 0.000 0.289 279 A C -1.326 176.261 177.584 0.005 0.000 1.139 279 A CA -0.618 51.423 52.037 0.007 0.000 0.793 279 A CB 0.365 19.373 19.000 0.013 0.000 1.334 279 A HN 0.095 nan 8.150 nan 0.000 0.408 280 L N 3.015 124.241 121.223 0.004 0.000 2.295 280 L HA 0.411 4.753 4.340 0.003 0.000 0.288 280 L C -0.273 176.617 176.870 0.033 0.000 1.079 280 L CA -0.165 54.676 54.840 0.001 0.000 0.830 280 L CB 0.565 42.617 42.059 -0.013 0.000 1.200 280 L HN 0.650 nan 8.230 nan 0.000 0.438 281 L N 6.130 127.371 121.223 0.031 0.000 2.385 281 L HA 0.186 4.528 4.340 0.003 0.000 0.285 281 L C -0.472 176.436 176.870 0.063 0.000 1.125 281 L CA -0.205 54.671 54.840 0.060 0.000 0.890 281 L CB 0.279 42.369 42.059 0.052 0.000 1.251 281 L HN 0.746 nan 8.230 nan 0.000 0.445 282 C N 6.728 126.085 119.300 0.096 0.000 2.223 282 C HA 0.478 4.940 4.460 0.003 0.000 0.324 282 C C 0.211 175.261 174.990 0.099 0.000 1.196 282 C CA -0.743 58.346 59.018 0.117 0.000 1.628 282 C CB -0.900 26.963 27.740 0.206 0.000 2.229 282 C HN 0.618 nan 8.230 nan 0.000 0.486 283 I N 6.245 126.854 120.570 0.065 0.000 2.355 283 I HA 0.433 4.605 4.170 0.003 0.000 0.288 283 I C 0.991 177.122 176.117 0.023 0.000 0.999 283 I CA -0.049 61.288 61.300 0.060 0.000 1.163 283 I CB 1.285 39.329 38.000 0.073 0.000 1.316 283 I HN 0.851 nan 8.210 nan 0.000 0.454 284 A N 5.755 128.581 122.820 0.009 0.000 2.791 284 A HA -0.116 4.206 4.320 0.003 0.000 0.292 284 A C -2.401 175.133 177.584 -0.084 0.000 1.487 284 A CA -0.206 51.818 52.037 -0.022 0.000 0.760 284 A CB -1.995 17.004 19.000 -0.003 0.000 1.031 284 A HN 0.482 nan 8.150 nan 0.000 0.503 285 P HA 0.483 nan 4.420 nan 0.000 0.276 285 P C -0.339 176.711 177.300 -0.417 0.000 1.244 285 P CA -0.176 62.674 63.100 -0.416 0.000 0.801 285 P CB 1.528 32.748 31.700 -0.799 0.000 1.006 286 V N 2.987 122.628 119.914 -0.455 0.000 2.325 286 V HA 0.249 4.371 4.120 0.003 0.000 0.280 286 V C -0.389 175.505 176.094 -0.334 0.000 1.016 286 V CA -0.324 61.799 62.300 -0.296 0.000 0.818 286 V CB 0.105 31.831 31.823 -0.161 0.000 1.019 286 V HN 0.303 nan 8.190 nan 0.000 0.434 287 F N 5.379 125.309 119.950 -0.034 0.000 2.368 287 F HA 0.493 5.022 4.527 0.003 0.000 0.362 287 F C 0.661 176.353 175.800 -0.181 0.000 1.137 287 F CA -0.744 57.159 58.000 -0.161 0.000 1.161 287 F CB 0.479 39.295 39.000 -0.306 0.000 1.265 287 F HN 0.694 nan 8.300 nan 0.000 0.530 288 N N 0.192 118.873 118.700 -0.032 0.000 3.091 288 N HA 0.240 4.982 4.740 0.003 0.000 0.329 288 N C 0.480 175.636 175.510 -0.590 0.000 1.430 288 N CA -0.751 52.224 53.050 -0.125 0.000 0.755 288 N CB 0.312 38.759 38.487 -0.066 0.000 1.626 288 N HN 0.244 nan 8.380 nan 0.000 0.614 289 D N -1.454 118.497 120.400 -0.749 0.000 2.219 289 D HA -0.195 4.447 4.640 0.003 0.000 0.205 289 D C 0.836 176.966 176.300 -0.284 0.000 0.970 289 D CA 1.376 54.751 54.000 -1.041 0.000 0.851 289 D CB -0.316 40.131 40.800 -0.589 0.000 0.943 289 D HN 0.436 nan 8.370 nan 0.000 0.488 290 Y N 1.774 121.992 120.300 -0.136 0.000 2.231 290 Y HA -0.041 4.511 4.550 0.003 0.000 0.294 290 Y C 3.025 179.182 175.900 0.429 0.000 1.120 290 Y CA 0.737 58.998 58.100 0.269 0.000 1.141 290 Y CB -0.858 37.817 38.460 0.358 0.000 1.022 290 Y HN 0.127 nan 8.280 nan 0.000 0.523 291 S N -0.972 114.908 115.700 0.300 0.000 2.402 291 S HA -0.125 4.347 4.470 0.003 0.000 0.229 291 S C 1.770 176.542 174.600 0.287 0.000 1.021 291 S CA 1.428 59.739 58.200 0.185 0.000 0.974 291 S CB -1.183 61.984 63.200 -0.055 0.000 0.800 291 S HN 0.507 nan 8.310 nan 0.000 0.484 292 T N -0.699 113.925 114.554 0.116 0.000 3.129 292 T HA 0.305 4.657 4.350 0.003 0.000 0.251 292 T C 0.503 175.234 174.700 0.051 0.000 1.117 292 T CA 0.145 62.302 62.100 0.096 0.000 1.034 292 T CB -0.797 68.049 68.868 -0.037 0.000 0.968 292 T HN 0.629 nan 8.240 nan 0.000 0.526 293 V N 1.132 121.093 119.914 0.078 0.000 6.029 293 V HA -0.093 4.028 4.120 0.003 0.000 0.242 293 V C 1.401 177.374 176.094 -0.202 0.000 0.637 293 V CA 0.522 62.783 62.300 -0.065 0.000 0.603 293 V CB -2.755 29.036 31.823 -0.054 0.000 0.423 293 V HN 1.236 nan 8.190 nan 0.000 0.520 294 G N 1.556 110.134 108.800 -0.370 0.000 2.305 294 G HA2 -0.284 3.678 3.960 0.003 0.000 0.287 294 G HA3 -0.284 3.678 3.960 0.003 0.000 0.287 294 G C 0.291 175.068 174.900 -0.206 0.000 1.036 294 G CA 0.807 45.664 45.100 -0.405 0.000 0.887 294 G HN 2.145 nan 8.290 nan 0.000 0.505 295 W N -2.639 118.703 121.300 0.071 0.000 2.869 295 W HA -0.330 4.332 4.660 0.003 0.000 0.285 295 W C 1.849 178.475 176.519 0.177 0.000 1.098 295 W CA 1.011 58.442 57.345 0.143 0.000 0.571 295 W CB -2.102 27.451 29.460 0.156 0.000 2.131 295 W HN 1.108 nan 8.180 nan 0.000 1.367 296 S N -0.792 115.047 115.700 0.231 0.000 2.503 296 S HA 0.520 4.992 4.470 0.003 0.000 0.217 296 S C 0.914 175.633 174.600 0.199 0.000 0.999 296 S CA 0.361 58.670 58.200 0.182 0.000 0.914 296 S CB 0.569 63.822 63.200 0.089 0.000 0.782 296 S HN 0.711 nan 8.310 nan 0.000 0.520 297 A N 0.937 123.895 122.820 0.229 0.000 3.030 297 A HA 0.553 4.874 4.320 0.003 0.000 0.335 297 A C -1.218 176.600 177.584 0.390 0.000 1.089 297 A CA -0.447 51.755 52.037 0.275 0.000 0.807 297 A CB -0.166 18.917 19.000 0.139 0.000 1.099 297 A HN 0.509 nan 8.150 nan 0.000 0.474 298 W N 4.290 125.646 121.300 0.094 0.000 2.533 298 W HA 0.547 5.209 4.660 0.003 0.000 0.291 298 W C -3.143 173.261 176.519 -0.192 0.000 1.013 298 W CA -3.064 54.207 57.345 -0.123 0.000 1.436 298 W CB 1.166 30.604 29.460 -0.036 0.000 1.291 298 W HN 0.334 nan 8.180 nan 0.000 0.396 299 P HA 0.317 nan 4.420 nan 0.000 0.276 299 P C -0.818 176.342 177.300 -0.233 0.000 1.243 299 P CA 0.311 63.359 63.100 -0.085 0.000 0.768 299 P CB 0.963 32.671 31.700 0.012 0.000 0.856 300 K N 1.064 121.306 120.400 -0.262 0.000 2.556 300 K HA 0.804 5.126 4.320 0.003 0.000 0.289 300 K C -0.311 176.185 176.600 -0.173 0.000 1.040 300 K CA -0.941 55.190 56.287 -0.260 0.000 0.894 300 K CB 0.976 33.175 32.500 -0.502 0.000 1.547 300 K HN 0.589 nan 8.250 nan 0.000 0.417 301 G N -0.093 108.627 108.800 -0.134 0.000 2.526 301 G HA2 -0.118 3.844 3.960 0.003 0.000 0.250 301 G HA3 -0.118 3.844 3.960 0.003 0.000 0.250 301 G C -2.071 172.801 174.900 -0.047 0.000 1.289 301 G CA -0.358 44.686 45.100 -0.094 0.000 0.947 301 G HN 0.488 nan 8.290 nan 0.000 0.517 302 P HA -0.072 nan 4.420 nan 0.000 0.216 302 P C 1.169 178.468 177.300 -0.001 0.000 1.150 302 P CA 1.459 64.552 63.100 -0.012 0.000 0.837 302 P CB -0.113 31.579 31.700 -0.013 0.000 0.786 303 N N -0.377 118.318 118.700 -0.009 0.000 2.521 303 N HA 0.030 4.772 4.740 0.003 0.000 0.188 303 N C 0.105 175.620 175.510 0.008 0.000 1.146 303 N CA 0.311 53.361 53.050 -0.001 0.000 0.893 303 N CB 0.171 38.651 38.487 -0.011 0.000 0.975 303 N HN 0.109 nan 8.380 nan 0.000 0.451 304 V N 1.822 121.744 119.914 0.012 0.000 2.398 304 V HA 0.358 4.480 4.120 0.003 0.000 0.286 304 V C 0.248 176.377 176.094 0.059 0.000 1.026 304 V CA -0.718 61.602 62.300 0.034 0.000 0.868 304 V CB 1.897 33.738 31.823 0.030 0.000 0.982 304 V HN -0.049 nan 8.190 nan 0.000 0.443 305 I N 5.893 126.509 120.570 0.076 0.000 2.287 305 I HA 0.244 4.416 4.170 0.003 0.000 0.290 305 I C -0.351 175.829 176.117 0.104 0.000 1.069 305 I CA -0.330 61.028 61.300 0.096 0.000 1.237 305 I CB 1.051 39.121 38.000 0.117 0.000 1.418 305 I HN 0.379 nan 8.210 nan 0.000 0.481 306 L N 7.576 128.857 121.223 0.097 0.000 2.268 306 L HA 0.549 4.891 4.340 0.003 0.000 0.289 306 L C 0.255 177.154 176.870 0.049 0.000 1.064 306 L CA -0.069 54.837 54.840 0.109 0.000 0.824 306 L CB 0.509 42.646 42.059 0.130 0.000 1.202 306 L HN 0.636 nan 8.230 nan 0.000 0.433 307 A N 5.622 128.469 122.820 0.045 0.000 2.316 307 A HA 0.609 4.931 4.320 0.003 0.000 0.324 307 A C -0.071 177.510 177.584 -0.004 0.000 1.375 307 A CA -0.607 51.417 52.037 -0.022 0.000 0.882 307 A CB 0.100 19.131 19.000 0.052 0.000 1.152 307 A HN 0.761 nan 8.150 nan 0.000 0.512 308 E N 2.635 122.811 120.200 -0.039 0.000 2.267 308 E HA 0.279 4.631 4.350 0.003 0.000 0.258 308 E C -1.785 174.788 176.600 -0.045 0.000 1.074 308 E CA -1.996 54.385 56.400 -0.031 0.000 0.915 308 E CB 0.753 30.436 29.700 -0.028 0.000 1.186 308 E HN 0.291 nan 8.360 nan 0.000 0.439 309 P HA -0.133 nan 4.420 nan 0.000 0.226 309 P C 0.143 177.404 177.300 -0.066 0.000 1.146 309 P CA 1.393 64.470 63.100 -0.038 0.000 0.773 309 P CB 0.264 31.936 31.700 -0.046 0.000 0.772 310 D N -2.318 118.007 120.400 -0.124 0.000 2.449 310 D HA 0.098 4.740 4.640 0.003 0.000 0.255 310 D C 0.496 176.573 176.300 -0.371 0.000 1.121 310 D CA 0.182 54.066 54.000 -0.193 0.000 0.830 310 D CB 0.969 41.687 40.800 -0.136 0.000 1.280 310 D HN 0.121 nan 8.370 nan 0.000 0.522 311 R N -1.170 119.123 120.500 -0.345 0.000 2.690 311 R HA 0.615 4.957 4.340 0.003 0.000 0.269 311 R C -2.008 174.140 176.300 -0.253 0.000 1.037 311 R CA -0.788 55.081 56.100 -0.385 0.000 0.877 311 R CB 1.065 31.233 30.300 -0.220 0.000 1.255 311 R HN -0.206 nan 8.270 nan 0.000 0.467 312 V N 1.166 120.983 119.914 -0.162 0.000 2.638 312 V HA 0.490 4.612 4.120 0.003 0.000 0.306 312 V C -0.718 175.428 176.094 0.086 0.000 1.052 312 V CA -0.611 61.624 62.300 -0.108 0.000 0.885 312 V CB 2.328 33.934 31.823 -0.362 0.000 0.999 312 V HN 0.887 nan 8.190 nan 0.000 0.424 313 T N 4.070 118.665 114.554 0.067 0.000 2.791 313 T HA 0.650 5.002 4.350 0.003 0.000 0.288 313 T C -0.785 173.991 174.700 0.127 0.000 0.999 313 T CA -0.476 61.687 62.100 0.106 0.000 0.952 313 T CB 1.487 70.387 68.868 0.054 0.000 0.938 313 T HN 0.582 nan 8.240 nan 0.000 0.444 314 V N 3.381 123.411 119.914 0.193 0.000 2.711 314 V HA 0.487 4.609 4.120 0.003 0.000 0.304 314 V C -0.854 175.341 176.094 0.168 0.000 1.097 314 V CA -0.568 61.832 62.300 0.167 0.000 0.906 314 V CB 1.709 33.631 31.823 0.165 0.000 1.015 314 V HN 0.933 nan 8.190 nan 0.000 0.427 315 D N 4.767 125.227 120.400 0.100 0.000 2.723 315 D HA -0.104 4.538 4.640 0.003 0.000 0.236 315 D C 0.986 177.324 176.300 0.063 0.000 1.138 315 D CA 2.204 56.250 54.000 0.077 0.000 0.676 315 D CB -1.188 39.666 40.800 0.090 0.000 1.069 315 D HN 2.251 nan 8.370 nan 0.000 0.430 316 G N -0.439 108.385 108.800 0.040 0.000 2.136 316 G HA2 -0.328 3.634 3.960 0.003 0.000 0.242 316 G HA3 -0.328 3.634 3.960 0.003 0.000 0.242 316 G C 0.320 175.208 174.900 -0.020 0.000 0.989 316 G CA 0.428 45.532 45.100 0.007 0.000 0.682 316 G HN 0.637 nan 8.290 nan 0.000 0.522 317 R N -0.473 120.015 120.500 -0.019 0.000 2.673 317 R HA 0.710 5.052 4.340 0.003 0.000 0.281 317 R C -0.310 175.856 176.300 -0.224 0.000 0.991 317 R CA -0.117 55.875 56.100 -0.179 0.000 0.896 317 R CB 1.981 32.101 30.300 -0.301 0.000 1.201 317 R HN 0.581 nan 8.270 nan 0.000 0.457 318 A N 2.643 125.271 122.820 -0.321 0.000 2.304 318 A HA 0.623 4.945 4.320 0.003 0.000 0.323 318 A C -1.446 175.920 177.584 -0.362 0.000 1.195 318 A CA -0.420 51.491 52.037 -0.210 0.000 0.826 318 A CB 0.495 19.425 19.000 -0.118 0.000 1.184 318 A HN 0.627 nan 8.150 nan 0.000 0.496 319 Y N 2.126 122.422 120.300 -0.007 0.000 2.331 319 Y HA 0.469 5.021 4.550 0.003 0.000 0.334 319 Y C 0.145 175.965 175.900 -0.133 0.000 0.960 319 Y CA -0.907 57.219 58.100 0.044 0.000 1.130 319 Y CB 1.739 40.326 38.460 0.211 0.000 1.164 319 Y HN 0.810 nan 8.280 nan 0.000 0.458 320 D N 0.608 120.976 120.400 -0.053 0.000 2.497 320 D HA 0.547 5.189 4.640 0.003 0.000 0.243 320 D C 0.685 176.813 176.300 -0.287 0.000 1.039 320 D CA -0.541 53.279 54.000 -0.299 0.000 1.052 320 D CB 2.040 42.734 40.800 -0.177 0.000 1.344 320 D HN 0.726 nan 8.370 nan 0.000 0.553 321 G N -0.222 108.376 108.800 -0.336 0.000 2.130 321 G HA2 -0.015 3.947 3.960 0.003 0.000 0.216 321 G HA3 -0.015 3.947 3.960 0.003 0.000 0.216 321 G C -0.293 174.591 174.900 -0.027 0.000 0.999 321 G CA 0.302 45.326 45.100 -0.127 0.000 0.686 321 G HN 0.779 nan 8.290 nan 0.000 0.515 322 F N -1.225 118.713 119.950 -0.019 0.000 2.662 322 F HA 0.829 5.358 4.527 0.003 0.000 0.312 322 F C 0.122 175.915 175.800 -0.013 0.000 1.113 322 F CA -1.064 56.920 58.000 -0.027 0.000 0.951 322 F CB 0.507 39.494 39.000 -0.021 0.000 1.344 322 F HN 0.407 nan 8.300 nan 0.000 0.462 323 T N -0.137 114.569 114.554 0.252 0.000 2.904 323 T HA 0.295 4.647 4.350 0.003 0.000 0.290 323 T C 0.797 175.671 174.700 0.291 0.000 1.018 323 T CA -0.502 61.695 62.100 0.162 0.000 1.075 323 T CB 1.450 70.378 68.868 0.099 0.000 0.986 323 T HN 0.908 nan 8.240 nan 0.000 0.523 324 L N 1.108 122.439 121.223 0.180 0.000 2.042 324 L HA -0.023 4.319 4.340 0.003 0.000 0.210 324 L C 2.820 179.834 176.870 0.239 0.000 1.076 324 L CA 1.682 56.659 54.840 0.228 0.000 0.749 324 L CB -0.760 41.369 42.059 0.117 0.000 0.893 324 L HN 0.802 nan 8.230 nan 0.000 0.432 325 R N -0.307 120.277 120.500 0.139 0.000 2.083 325 R HA -0.183 4.158 4.340 0.003 0.000 0.237 325 R C 2.066 178.419 176.300 0.088 0.000 1.137 325 R CA 1.646 57.800 56.100 0.090 0.000 0.951 325 R CB -0.534 29.794 30.300 0.046 0.000 0.851 325 R HN 0.532 nan 8.270 nan 0.000 0.434 326 A N 0.220 123.107 122.820 0.111 0.000 1.933 326 A HA -0.177 4.144 4.320 0.003 0.000 0.218 326 A C 1.987 179.591 177.584 0.032 0.000 1.175 326 A CA 1.173 53.247 52.037 0.063 0.000 0.628 326 A CB -0.710 18.328 19.000 0.064 0.000 0.814 326 A HN 0.495 nan 8.150 nan 0.000 0.444 327 F N 0.645 120.571 119.950 -0.040 0.000 2.102 327 F HA -0.108 4.420 4.527 0.003 0.000 0.298 327 F C 1.856 177.616 175.800 -0.066 0.000 1.105 327 F CA 1.703 59.629 58.000 -0.124 0.000 1.239 327 F CB -0.295 38.723 39.000 0.031 0.000 0.991 327 F HN 0.133 nan 8.300 nan 0.000 0.474 328 L N -0.233 120.958 121.223 -0.052 0.000 2.093 328 L HA -0.210 4.131 4.340 0.003 0.000 0.208 328 L C 2.533 179.309 176.870 -0.157 0.000 1.085 328 L CA 1.381 56.137 54.840 -0.140 0.000 0.755 328 L CB -0.852 41.227 42.059 0.032 0.000 0.904 328 L HN 0.221 nan 8.230 nan 0.000 0.435 329 Q N -0.236 119.507 119.800 -0.096 0.000 2.050 329 Q HA -0.193 4.149 4.340 0.003 0.000 0.202 329 Q C 2.434 178.357 176.000 -0.127 0.000 0.980 329 Q CA 1.936 57.689 55.803 -0.083 0.000 0.840 329 Q CB -0.243 28.469 28.738 -0.043 0.000 0.898 329 Q HN 0.546 nan 8.270 nan 0.000 0.424 330 A N 0.295 123.012 122.820 -0.172 0.000 1.933 330 A HA -0.168 4.154 4.320 0.003 0.000 0.218 330 A C 1.976 179.410 177.584 -0.250 0.000 1.175 330 A CA 1.123 53.046 52.037 -0.190 0.000 0.628 330 A CB -0.601 18.278 19.000 -0.202 0.000 0.814 330 A HN 0.385 nan 8.150 nan 0.000 0.444 331 L N -0.266 120.719 121.223 -0.396 0.000 2.093 331 L HA -0.021 4.321 4.340 0.003 0.000 0.208 331 L C 2.624 179.361 176.870 -0.223 0.000 1.085 331 L CA 2.008 56.608 54.840 -0.399 0.000 0.755 331 L CB -0.675 40.991 42.059 -0.654 0.000 0.904 331 L HN 0.331 nan 8.230 nan 0.000 0.435 332 A N -0.816 121.899 122.820 -0.175 0.000 2.019 332 A HA -0.165 4.157 4.320 0.003 0.000 0.219 332 A C 2.073 179.611 177.584 -0.076 0.000 1.164 332 A CA 1.551 53.529 52.037 -0.098 0.000 0.644 332 A CB -0.486 18.474 19.000 -0.067 0.000 0.805 332 A HN 0.592 nan 8.150 nan 0.000 0.449 333 E N 0.077 120.224 120.200 -0.087 0.000 2.106 333 E HA -0.143 4.209 4.350 0.003 0.000 0.192 333 E C 1.337 177.900 176.600 -0.063 0.000 0.984 333 E CA 1.004 57.364 56.400 -0.066 0.000 0.806 333 E CB -0.166 29.494 29.700 -0.066 0.000 0.750 333 E HN 0.487 nan 8.360 nan 0.000 0.458 334 K N 0.155 120.506 120.400 -0.082 0.000 2.348 334 K HA 0.239 4.561 4.320 0.003 0.000 0.194 334 K C 0.798 177.360 176.600 -0.063 0.000 1.052 334 K CA 0.107 56.351 56.287 -0.071 0.000 1.004 334 K CB 0.533 32.982 32.500 -0.084 0.000 0.873 334 K HN -0.030 nan 8.250 nan 0.000 0.523 335 A N 4.526 127.303 122.820 -0.072 0.000 2.531 335 A HA 0.175 4.497 4.320 0.003 0.000 0.236 335 A C -2.050 175.514 177.584 -0.033 0.000 1.062 335 A CA -0.634 51.370 52.037 -0.056 0.000 0.760 335 A CB -0.367 18.596 19.000 -0.061 0.000 0.995 335 A HN -0.005 nan 8.150 nan 0.000 0.501 336 P HA 0.431 nan 4.420 nan 0.000 0.278 336 P C -0.599 176.698 177.300 -0.005 0.000 1.266 336 P CA -0.337 62.755 63.100 -0.013 0.000 0.807 336 P CB 0.994 32.688 31.700 -0.010 0.000 1.094 337 A N 1.629 124.449 122.820 -0.000 0.000 2.309 337 A HA 0.470 4.792 4.320 0.003 0.000 0.290 337 A C 0.092 177.681 177.584 0.007 0.000 1.206 337 A CA -0.222 51.819 52.037 0.007 0.000 0.850 337 A CB -0.413 18.593 19.000 0.009 0.000 1.118 337 A HN 0.362 nan 8.150 nan 0.000 0.523 338 R N 3.199 123.706 120.500 0.010 0.000 2.547 338 R HA 0.361 4.703 4.340 0.003 0.000 0.280 338 R C -2.435 173.873 176.300 0.013 0.000 1.630 338 R CA -1.564 54.542 56.100 0.009 0.000 1.470 338 R CB 1.277 31.580 30.300 0.005 0.000 1.178 338 R HN 0.490 nan 8.270 nan 0.000 0.591 339 P HA 0.072 nan 4.420 nan 0.000 0.251 339 P C 0.848 178.157 177.300 0.016 0.000 1.223 339 P CA 0.285 63.397 63.100 0.021 0.000 0.796 339 P CB 0.539 32.253 31.700 0.022 0.000 1.068 340 A N 1.138 123.964 122.820 0.010 0.000 1.915 340 A HA -0.266 4.056 4.320 0.003 0.000 0.220 340 A C 2.321 179.908 177.584 0.004 0.000 1.198 340 A CA 2.782 54.823 52.037 0.006 0.000 0.647 340 A CB -1.712 17.290 19.000 0.003 0.000 0.825 340 A HN 0.313 nan 8.150 nan 0.000 0.456 341 S N 0.311 116.011 115.700 0.001 0.000 2.368 341 S HA -0.029 4.443 4.470 0.003 0.000 0.225 341 S C 2.186 176.784 174.600 -0.002 0.000 1.030 341 S CA 1.346 59.542 58.200 -0.006 0.000 0.999 341 S CB -0.628 62.562 63.200 -0.016 0.000 0.844 341 S HN 0.896 nan 8.310 nan 0.000 0.459 342 A N 2.449 125.275 122.820 0.010 0.000 1.897 342 A HA -0.125 4.197 4.320 0.003 0.000 0.215 342 A C 2.286 179.883 177.584 0.021 0.000 1.181 342 A CA 1.228 53.278 52.037 0.022 0.000 0.620 342 A CB -0.650 18.377 19.000 0.046 0.000 0.821 342 A HN 0.701 nan 8.150 nan 0.000 0.443 343 Q N -1.269 118.542 119.800 0.019 0.000 2.435 343 Q HA 0.027 4.369 4.340 0.003 0.000 0.207 343 Q C 0.721 176.728 176.000 0.012 0.000 0.956 343 Q CA 1.135 56.948 55.803 0.017 0.000 0.917 343 Q CB -0.164 28.584 28.738 0.016 0.000 0.997 343 Q HN 0.325 nan 8.270 nan 0.000 0.497 344 K N 1.208 121.613 120.400 0.008 0.000 2.410 344 K HA 0.137 4.459 4.320 0.003 0.000 0.200 344 K C -0.520 176.083 176.600 0.005 0.000 1.023 344 K CA 0.052 56.343 56.287 0.006 0.000 1.149 344 K CB 1.065 33.567 32.500 0.003 0.000 0.859 344 K HN 0.364 nan 8.250 nan 0.000 0.514 345 S N -2.408 113.295 115.700 0.005 0.000 2.570 345 S HA 0.571 5.043 4.470 0.003 0.000 0.270 345 S C -0.561 174.043 174.600 0.006 0.000 1.149 345 S CA -1.011 57.190 58.200 0.002 0.000 0.837 345 S CB 1.770 64.964 63.200 -0.010 0.000 1.124 345 S HN -0.115 nan 8.310 nan 0.000 0.465 346 S N 0.797 116.500 115.700 0.006 0.000 2.617 346 S HA 0.554 5.025 4.470 0.003 0.000 0.283 346 S C 0.088 174.695 174.600 0.012 0.000 1.189 346 S CA -0.657 57.552 58.200 0.014 0.000 1.036 346 S CB 1.508 64.719 63.200 0.017 0.000 1.014 346 S HN 1.034 nan 8.310 nan 0.000 0.522 347 V N 4.941 124.876 119.914 0.035 0.000 2.599 347 V HA 0.184 4.306 4.120 0.003 0.000 0.300 347 V C -2.038 174.085 176.094 0.048 0.000 1.034 347 V CA -1.496 60.838 62.300 0.057 0.000 1.115 347 V CB 0.233 32.114 31.823 0.097 0.000 0.934 347 V HN 0.693 nan 8.190 nan 0.000 0.485 348 P HA 0.204 nan 4.420 nan 0.000 0.271 348 P C -0.502 176.846 177.300 0.080 0.000 1.216 348 P CA 0.188 63.309 63.100 0.035 0.000 0.771 348 P CB 1.019 32.719 31.700 -0.000 0.000 0.864 349 T N 1.580 116.170 114.554 0.061 0.000 2.916 349 T HA 0.495 4.847 4.350 0.003 0.000 0.292 349 T C -1.393 173.341 174.700 0.057 0.000 1.064 349 T CA -0.519 61.618 62.100 0.061 0.000 1.011 349 T CB 0.952 69.848 68.868 0.047 0.000 1.152 349 T HN 0.546 nan 8.240 nan 0.000 0.510 350 C N 2.815 122.147 119.300 0.053 0.000 2.442 350 C HA 0.703 5.165 4.460 0.003 0.000 0.335 350 C C 0.140 175.153 174.990 0.038 0.000 1.134 350 C CA -0.569 58.478 59.018 0.049 0.000 1.344 350 C CB 0.161 27.936 27.740 0.059 0.000 1.956 350 C HN 0.893 nan 8.230 nan 0.000 0.438 351 S N 5.134 120.853 115.700 0.033 0.000 2.455 351 S HA 0.573 5.045 4.470 0.003 0.000 0.278 351 S C -0.544 174.071 174.600 0.024 0.000 1.216 351 S CA -0.058 58.158 58.200 0.026 0.000 1.055 351 S CB -0.084 63.129 63.200 0.022 0.000 0.939 351 S HN 0.668 nan 8.310 nan 0.000 0.494 352 L N 4.231 125.467 121.223 0.022 0.000 2.343 352 L HA 0.356 4.698 4.340 0.003 0.000 0.278 352 L C 0.545 177.427 176.870 0.020 0.000 0.996 352 L CA -0.642 54.211 54.840 0.022 0.000 0.831 352 L CB 1.919 43.992 42.059 0.023 0.000 1.232 352 L HN 0.488 nan 8.230 nan 0.000 0.413 353 T N 2.770 117.335 114.554 0.019 0.000 2.834 353 T HA 0.483 4.835 4.350 0.003 0.000 0.298 353 T C 0.186 174.899 174.700 0.023 0.000 0.966 353 T CA -0.377 61.733 62.100 0.017 0.000 1.141 353 T CB 0.502 69.378 68.868 0.013 0.000 0.905 353 T HN 0.640 nan 8.240 nan 0.000 0.535 354 A N 4.536 127.370 122.820 0.023 0.000 2.310 354 A HA 0.656 4.978 4.320 0.003 0.000 0.299 354 A C 0.597 178.197 177.584 0.027 0.000 1.147 354 A CA -0.582 51.473 52.037 0.029 0.000 0.818 354 A CB 1.244 20.259 19.000 0.024 0.000 1.096 354 A HN 0.873 nan 8.150 nan 0.000 0.495 355 T N -0.100 114.475 114.554 0.035 0.000 2.841 355 T HA 0.641 4.993 4.350 0.003 0.000 0.276 355 T C 0.601 175.320 174.700 0.033 0.000 1.003 355 T CA 0.210 62.328 62.100 0.030 0.000 0.995 355 T CB 0.882 69.766 68.868 0.027 0.000 1.260 355 T HN 1.323 nan 8.240 nan 0.000 0.581 356 S N 0.409 116.125 115.700 0.027 0.000 2.693 356 S HA 0.316 4.788 4.470 0.003 0.000 0.276 356 S C 0.750 175.370 174.600 0.034 0.000 1.192 356 S CA -0.408 57.809 58.200 0.028 0.000 0.994 356 S CB 0.802 64.014 63.200 0.020 0.000 1.012 356 S HN 0.672 nan 8.310 nan 0.000 0.550 357 D N 0.690 121.111 120.400 0.036 0.000 2.133 357 D HA -0.100 4.542 4.640 0.003 0.000 0.195 357 D C 1.439 177.757 176.300 0.029 0.000 0.997 357 D CA 1.512 55.536 54.000 0.040 0.000 0.840 357 D CB 0.009 40.831 40.800 0.036 0.000 0.947 357 D HN 0.692 nan 8.370 nan 0.000 0.452 358 E N -0.277 119.936 120.200 0.021 0.000 2.481 358 E HA 0.235 4.587 4.350 0.003 0.000 0.198 358 E C 0.529 177.136 176.600 0.012 0.000 1.027 358 E CA -0.119 56.290 56.400 0.016 0.000 0.900 358 E CB 0.464 30.172 29.700 0.014 0.000 0.993 358 E HN 0.113 nan 8.360 nan 0.000 0.482 359 A N 1.284 124.111 122.820 0.012 0.000 2.406 359 A HA 0.420 4.742 4.320 0.003 0.000 0.243 359 A C 0.912 178.499 177.584 0.005 0.000 1.082 359 A CA 0.368 52.410 52.037 0.009 0.000 0.786 359 A CB 0.104 19.111 19.000 0.011 0.000 1.029 359 A HN 0.120 nan 8.150 nan 0.000 0.495 360 G N -0.269 108.533 108.800 0.003 0.000 2.414 360 G HA2 0.388 4.350 3.960 0.003 0.000 0.236 360 G HA3 0.388 4.350 3.960 0.003 0.000 0.236 360 G C 0.035 174.933 174.900 -0.005 0.000 1.293 360 G CA -0.322 44.778 45.100 -0.000 0.000 0.869 360 G HN 0.836 nan 8.290 nan 0.000 0.556 361 L N 1.517 122.733 121.223 -0.011 0.000 2.485 361 L HA 0.361 4.703 4.340 0.003 0.000 0.275 361 L C 0.753 177.613 176.870 -0.016 0.000 1.207 361 L CA 0.764 55.590 54.840 -0.023 0.000 0.855 361 L CB 0.800 42.839 42.059 -0.034 0.000 1.114 361 L HN 0.477 nan 8.230 nan 0.000 0.485 362 T N 4.006 118.549 114.554 -0.018 0.000 2.893 362 T HA 0.206 4.558 4.350 0.003 0.000 0.291 362 T C 0.858 175.551 174.700 -0.012 0.000 1.028 362 T CA -0.231 61.863 62.100 -0.009 0.000 0.995 362 T CB 1.618 70.487 68.868 0.001 0.000 1.051 362 T HN 0.719 nan 8.240 nan 0.000 0.470 363 N N 1.752 120.447 118.700 -0.008 0.000 2.037 363 N HA -0.175 4.567 4.740 0.003 0.000 0.196 363 N C 1.225 176.734 175.510 -0.002 0.000 1.034 363 N CA 2.063 55.109 53.050 -0.008 0.000 0.861 363 N CB -0.051 38.433 38.487 -0.004 0.000 1.039 363 N HN 0.523 nan 8.380 nan 0.000 0.427 364 D N -0.398 120.006 120.400 0.006 0.000 2.149 364 D HA -0.138 4.504 4.640 0.003 0.000 0.198 364 D C 1.704 178.022 176.300 0.029 0.000 0.990 364 D CA 0.877 54.887 54.000 0.016 0.000 0.839 364 D CB -0.291 40.520 40.800 0.018 0.000 0.948 364 D HN 0.406 nan 8.370 nan 0.000 0.460 365 E N -0.012 120.207 120.200 0.033 0.000 2.152 365 E HA -0.022 4.330 4.350 0.003 0.000 0.192 365 E C 2.032 178.679 176.600 0.077 0.000 0.983 365 E CA 0.410 56.855 56.400 0.076 0.000 0.818 365 E CB -0.134 29.593 29.700 0.045 0.000 0.758 365 E HN 0.303 nan 8.360 nan 0.000 0.467 366 I N -0.566 119.994 120.570 -0.017 0.000 2.226 366 I HA -0.248 3.924 4.170 0.003 0.000 0.245 366 I C 2.061 178.133 176.117 -0.074 0.000 1.100 366 I CA 0.699 61.954 61.300 -0.075 0.000 1.374 366 I CB -0.199 37.748 38.000 -0.088 0.000 1.057 366 I HN 0.024 nan 8.210 nan 0.000 0.413 367 V N 0.637 120.526 119.914 -0.040 0.000 2.343 367 V HA -0.296 3.826 4.120 0.003 0.000 0.247 367 V C 2.585 178.670 176.094 -0.015 0.000 1.051 367 V CA 1.846 64.121 62.300 -0.041 0.000 1.036 367 V CB -0.783 31.035 31.823 -0.008 0.000 0.654 367 V HN 0.364 nan 8.190 nan 0.000 0.451 368 R N -1.091 119.431 120.500 0.036 0.000 2.081 368 R HA -0.176 4.166 4.340 0.003 0.000 0.235 368 R C 2.353 178.652 176.300 -0.001 0.000 1.131 368 R CA 1.828 57.946 56.100 0.029 0.000 0.960 368 R CB -0.259 30.075 30.300 0.057 0.000 0.856 368 R HN 0.618 nan 8.270 nan 0.000 0.436 369 H N -0.392 118.640 119.070 -0.063 0.000 2.363 369 H HA -0.009 4.549 4.556 0.003 0.000 0.301 369 H C 1.881 177.151 175.328 -0.097 0.000 1.074 369 H CA 1.704 57.719 56.048 -0.055 0.000 1.354 369 H CB -0.001 29.742 29.762 -0.032 0.000 1.397 369 H HN 0.145 nan 8.280 nan 0.000 0.516 370 I N 0.039 120.550 120.570 -0.099 0.000 2.252 370 I HA -0.260 3.912 4.170 0.003 0.000 0.245 370 I C 2.149 178.217 176.117 -0.082 0.000 1.102 370 I CA 1.221 62.396 61.300 -0.209 0.000 1.385 370 I CB -0.339 37.410 38.000 -0.417 0.000 1.064 370 I HN 0.339 nan 8.210 nan 0.000 0.414 371 N N 0.718 119.381 118.700 -0.061 0.000 2.094 371 N HA -0.206 4.536 4.740 0.003 0.000 0.191 371 N C 1.883 177.377 175.510 -0.027 0.000 1.023 371 N CA 1.208 54.237 53.050 -0.035 0.000 0.857 371 N CB -0.024 38.448 38.487 -0.025 0.000 1.013 371 N HN 0.346 nan 8.380 nan 0.000 0.426 372 A N 0.483 123.281 122.820 -0.035 0.000 2.067 372 A HA -0.049 4.273 4.320 0.003 0.000 0.219 372 A C 2.063 179.643 177.584 -0.006 0.000 1.158 372 A CA 0.645 52.662 52.037 -0.033 0.000 0.661 372 A CB -0.399 18.559 19.000 -0.071 0.000 0.801 372 A HN 0.336 nan 8.150 nan 0.000 0.452 373 L N -0.277 120.954 121.223 0.015 0.000 2.156 373 L HA 0.051 4.393 4.340 0.003 0.000 0.208 373 L C 0.302 177.189 176.870 0.029 0.000 1.095 373 L CA 0.223 55.091 54.840 0.046 0.000 0.770 373 L CB -0.278 41.842 42.059 0.101 0.000 0.914 373 L HN 0.320 nan 8.230 nan 0.000 0.439 374 L N 0.795 122.024 121.223 0.010 0.000 2.513 374 L HA 0.021 4.363 4.340 0.003 0.000 0.272 374 L C 0.557 177.422 176.870 -0.008 0.000 1.187 374 L CA 0.071 54.910 54.840 -0.001 0.000 0.895 374 L CB 0.119 42.170 42.059 -0.013 0.000 1.147 374 L HN 0.229 nan 8.230 nan 0.000 0.483 375 T N -2.107 112.440 114.554 -0.013 0.000 2.910 375 T HA 0.259 4.611 4.350 0.003 0.000 0.287 375 T C 1.009 175.691 174.700 -0.030 0.000 1.050 375 T CA -0.176 61.913 62.100 -0.019 0.000 1.011 375 T CB 1.603 70.463 68.868 -0.013 0.000 1.195 375 T HN 0.552 nan 8.240 nan 0.000 0.540 376 S N 0.007 115.688 115.700 -0.032 0.000 2.469 376 S HA -0.121 4.351 4.470 0.003 0.000 0.238 376 S C 1.348 175.921 174.600 -0.044 0.000 0.998 376 S CA 1.199 59.375 58.200 -0.040 0.000 0.957 376 S CB -0.794 62.383 63.200 -0.038 0.000 0.764 376 S HN 0.760 nan 8.310 nan 0.000 0.514 377 N N 1.174 119.849 118.700 -0.041 0.000 2.268 377 N HA 0.159 4.901 4.740 0.003 0.000 0.204 377 N C -0.726 174.737 175.510 -0.078 0.000 1.124 377 N CA 0.072 53.092 53.050 -0.050 0.000 0.838 377 N CB 0.199 38.666 38.487 -0.034 0.000 0.994 377 N HN 0.312 nan 8.380 nan 0.000 0.489 378 T N -0.383 114.126 114.554 -0.075 0.000 2.875 378 T HA 0.336 4.688 4.350 0.003 0.000 0.284 378 T C -0.338 174.283 174.700 -0.133 0.000 0.995 378 T CA -0.214 61.827 62.100 -0.097 0.000 1.060 378 T CB 1.553 70.394 68.868 -0.045 0.000 0.967 378 T HN -0.079 nan 8.240 nan 0.000 0.476 379 T N 3.653 118.076 114.554 -0.218 0.000 2.791 379 T HA 0.441 4.793 4.350 0.003 0.000 0.288 379 T C -0.599 174.067 174.700 -0.058 0.000 0.999 379 T CA -0.566 61.433 62.100 -0.170 0.000 0.952 379 T CB 0.528 69.215 68.868 -0.301 0.000 0.938 379 T HN 0.358 nan 8.240 nan 0.000 0.444 380 L N 4.906 126.133 121.223 0.006 0.000 2.272 380 L HA 0.593 4.935 4.340 0.003 0.000 0.289 380 L C -0.811 176.114 176.870 0.093 0.000 1.032 380 L CA -0.709 54.163 54.840 0.054 0.000 0.810 380 L CB 0.997 43.078 42.059 0.037 0.000 1.205 380 L HN 0.380 nan 8.230 nan 0.000 0.422 381 V N 4.631 124.617 119.914 0.119 0.000 2.370 381 V HA 0.527 4.649 4.120 0.003 0.000 0.279 381 V C 0.322 176.532 176.094 0.192 0.000 1.029 381 V CA -0.539 61.849 62.300 0.147 0.000 0.870 381 V CB 1.304 33.145 31.823 0.029 0.000 0.984 381 V HN 0.845 nan 8.190 nan 0.000 0.451 382 A N 3.774 126.770 122.820 0.294 0.000 2.291 382 A HA 0.728 5.050 4.320 0.003 0.000 0.311 382 A C -0.266 177.573 177.584 0.426 0.000 1.224 382 A CA -0.553 51.655 52.037 0.286 0.000 0.821 382 A CB 1.012 20.142 19.000 0.217 0.000 1.172 382 A HN 0.809 nan 8.150 nan 0.000 0.494 383 E N 1.670 122.050 120.200 0.300 0.000 2.392 383 E HA 0.357 4.708 4.350 0.003 0.000 0.259 383 E C 0.126 176.685 176.600 -0.068 0.000 1.108 383 E CA 0.152 56.704 56.400 0.253 0.000 0.916 383 E CB 0.511 30.299 29.700 0.147 0.000 0.989 383 E HN 0.559 nan 8.360 nan 0.000 0.432 384 T N 2.497 116.888 114.554 -0.272 0.000 2.908 384 T HA 0.484 4.836 4.350 0.003 0.000 0.301 384 T C 0.319 174.573 174.700 -0.743 0.000 1.019 384 T CA 0.738 62.202 62.100 -1.059 0.000 1.152 384 T CB 0.055 68.517 68.868 -0.677 0.000 0.966 384 T HN 0.754 nan 8.240 nan 0.000 0.540 385 G N 2.881 111.148 108.800 -0.889 0.000 2.298 385 G HA2 -0.084 3.878 3.960 0.003 0.000 0.309 385 G HA3 -0.084 3.878 3.960 0.003 0.000 0.309 385 G C 0.217 175.038 174.900 -0.132 0.000 1.279 385 G CA -0.083 44.801 45.100 -0.360 0.000 1.042 385 G HN 0.540 nan 8.290 nan 0.000 0.480 386 D N -0.074 120.336 120.400 0.018 0.000 2.309 386 D HA 0.025 4.667 4.640 0.003 0.000 0.212 386 D C 2.443 178.854 176.300 0.185 0.000 0.968 386 D CA 1.821 55.922 54.000 0.167 0.000 0.882 386 D CB -0.067 40.771 40.800 0.064 0.000 0.918 386 D HN 0.285 nan 8.370 nan 0.000 0.503 387 S N -0.511 115.234 115.700 0.076 0.000 2.419 387 S HA -0.127 4.345 4.470 0.003 0.000 0.233 387 S C 1.462 176.163 174.600 0.168 0.000 1.016 387 S CA 0.361 58.619 58.200 0.097 0.000 0.974 387 S CB -0.262 62.980 63.200 0.070 0.000 0.786 387 S HN 0.450 nan 8.310 nan 0.000 0.492 388 W N 1.336 122.585 121.300 -0.084 0.000 2.321 388 W HA -0.049 4.613 4.660 0.003 0.000 0.306 388 W C 1.745 178.069 176.519 -0.326 0.000 1.217 388 W CA 0.391 57.556 57.345 -0.300 0.000 1.257 388 W CB -1.297 27.801 29.460 -0.602 0.000 1.145 388 W HN 0.334 nan 8.180 nan 0.000 0.509 389 F N 0.573 120.637 119.950 0.190 0.000 2.234 389 F HA -0.110 4.419 4.527 0.003 0.000 0.296 389 F C 2.117 177.958 175.800 0.068 0.000 1.089 389 F CA 1.614 59.676 58.000 0.103 0.000 1.343 389 F CB -1.046 37.965 39.000 0.019 0.000 1.040 389 F HN -0.004 nan 8.300 nan 0.000 0.498 390 N N 0.441 119.266 118.700 0.207 0.000 2.467 390 N HA 0.067 4.809 4.740 0.003 0.000 0.184 390 N C 1.788 177.338 175.510 0.067 0.000 1.106 390 N CA 0.712 53.830 53.050 0.114 0.000 0.892 390 N CB -0.122 38.409 38.487 0.073 0.000 0.969 390 N HN 0.236 nan 8.380 nan 0.000 0.454 391 A N 2.026 124.884 122.820 0.063 0.000 1.902 391 A HA -0.077 4.245 4.320 0.003 0.000 0.217 391 A C 2.311 179.898 177.584 0.006 0.000 1.181 391 A CA 1.097 53.148 52.037 0.023 0.000 0.623 391 A CB -0.291 18.718 19.000 0.015 0.000 0.818 391 A HN 0.098 nan 8.150 nan 0.000 0.443 392 M N -0.350 119.258 119.600 0.013 0.000 2.267 392 M HA -0.077 4.405 4.480 0.003 0.000 0.263 392 M C 1.771 178.114 176.300 0.073 0.000 1.063 392 M CA 1.236 56.556 55.300 0.033 0.000 1.090 392 M CB -1.213 31.443 32.600 0.093 0.000 1.392 392 M HN 0.364 nan 8.290 nan 0.000 0.422 393 R N -1.073 119.473 120.500 0.078 0.000 2.310 393 R HA 0.250 4.592 4.340 0.003 0.000 0.202 393 R C 0.151 176.483 176.300 0.054 0.000 0.933 393 R CA -0.054 56.091 56.100 0.075 0.000 1.054 393 R CB -0.009 30.336 30.300 0.076 0.000 0.985 393 R HN 0.297 nan 8.270 nan 0.000 0.489 394 M N 0.293 119.918 119.600 0.041 0.000 2.318 394 M HA 0.161 4.643 4.480 0.003 0.000 0.347 394 M C -0.283 176.037 176.300 0.034 0.000 1.175 394 M CA -0.038 55.276 55.300 0.025 0.000 1.075 394 M CB 2.109 34.710 32.600 0.002 0.000 1.614 394 M HN -0.140 nan 8.290 nan 0.000 0.456 395 T N 4.986 119.558 114.554 0.030 0.000 2.723 395 T HA 0.486 4.838 4.350 0.003 0.000 0.297 395 T C -0.548 174.149 174.700 -0.006 0.000 0.925 395 T CA -0.716 61.402 62.100 0.030 0.000 1.030 395 T CB -0.423 68.468 68.868 0.039 0.000 0.905 395 T HN 0.442 nan 8.240 nan 0.000 0.502 396 L N 3.289 124.492 121.223 -0.033 0.000 2.295 396 L HA 0.698 5.040 4.340 0.003 0.000 0.285 396 L C -2.449 174.381 176.870 -0.067 0.000 1.035 396 L CA -2.441 52.369 54.840 -0.050 0.000 0.806 396 L CB -0.113 41.911 42.059 -0.058 0.000 1.214 396 L HN 0.206 nan 8.230 nan 0.000 0.426 397 P HA 0.058 nan 4.420 nan 0.000 0.269 397 P C -0.527 176.730 177.300 -0.072 0.000 1.215 397 P CA -0.434 62.634 63.100 -0.054 0.000 0.780 397 P CB 0.578 32.255 31.700 -0.039 0.000 0.898 398 R N 0.923 121.377 120.500 -0.078 0.000 2.538 398 R HA 0.200 4.542 4.340 0.003 0.000 0.282 398 R C 1.269 177.525 176.300 -0.074 0.000 1.009 398 R CA 1.473 57.519 56.100 -0.092 0.000 1.063 398 R CB -0.787 29.460 30.300 -0.088 0.000 0.945 398 R HN 0.861 nan 8.270 nan 0.000 0.414 399 G N 2.154 110.909 108.800 -0.076 0.000 2.279 399 G HA2 -0.292 3.669 3.960 0.003 0.000 0.223 399 G HA3 -0.292 3.669 3.960 0.003 0.000 0.223 399 G C 0.085 174.954 174.900 -0.051 0.000 1.015 399 G CA -0.042 45.022 45.100 -0.059 0.000 0.621 399 G HN 0.943 nan 8.290 nan 0.000 0.506 400 A N 0.330 123.118 122.820 -0.053 0.000 2.498 400 A HA 0.708 5.030 4.320 0.003 0.000 0.239 400 A C 0.570 178.135 177.584 -0.032 0.000 1.068 400 A CA 0.784 52.793 52.037 -0.047 0.000 0.766 400 A CB 0.235 19.207 19.000 -0.047 0.000 1.003 400 A HN 0.598 nan 8.150 nan 0.000 0.497 401 R N 0.502 120.986 120.500 -0.027 0.000 2.514 401 R HA 0.607 4.949 4.340 0.003 0.000 0.301 401 R C -1.287 175.019 176.300 0.009 0.000 0.962 401 R CA -0.356 55.748 56.100 0.007 0.000 0.882 401 R CB 2.106 32.411 30.300 0.009 0.000 1.143 401 R HN 0.487 nan 8.270 nan 0.000 0.452 402 V N 2.864 122.789 119.914 0.020 0.000 2.604 402 V HA 0.384 4.506 4.120 0.003 0.000 0.305 402 V C -0.684 175.437 176.094 0.045 0.000 1.043 402 V CA -0.800 61.505 62.300 0.009 0.000 0.888 402 V CB 2.014 33.803 31.823 -0.057 0.000 0.995 402 V HN 0.651 nan 8.190 nan 0.000 0.429 403 E N 5.017 125.286 120.200 0.116 0.000 2.155 403 E HA 0.631 4.982 4.350 0.003 0.000 0.264 403 E C -1.169 175.602 176.600 0.284 0.000 0.886 403 E CA -0.288 56.247 56.400 0.225 0.000 0.752 403 E CB 2.403 32.297 29.700 0.324 0.000 1.133 403 E HN 0.477 nan 8.360 nan 0.000 0.414 404 L N 1.139 122.409 121.223 0.078 0.000 2.354 404 L HA 0.411 4.752 4.340 0.003 0.000 0.264 404 L C 0.511 177.165 176.870 -0.360 0.000 1.008 404 L CA -0.552 54.221 54.840 -0.112 0.000 0.819 404 L CB 2.168 44.041 42.059 -0.311 0.000 1.339 404 L HN 0.394 nan 8.230 nan 0.000 0.420 405 E N 2.227 122.082 120.200 -0.576 0.000 3.896 405 E HA 0.224 4.576 4.350 0.003 0.000 0.217 405 E C 0.246 176.709 176.600 -0.228 0.000 1.150 405 E CA -0.081 55.926 56.400 -0.654 0.000 1.338 405 E CB 0.574 29.344 29.700 -1.551 0.000 1.242 405 E HN 0.672 nan 8.360 nan 0.000 0.435 406 M N 0.386 119.810 119.600 -0.294 0.000 2.558 406 M HA -0.038 4.444 4.480 0.003 0.000 0.255 406 M C 1.819 178.066 176.300 -0.089 0.000 1.113 406 M CA 0.693 55.776 55.300 -0.362 0.000 1.097 406 M CB 0.205 32.323 32.600 -0.803 0.000 1.426 406 M HN 0.159 nan 8.290 nan 0.000 0.488 407 Q N 0.255 120.036 119.800 -0.033 0.000 2.200 407 Q HA -0.056 4.286 4.340 0.003 0.000 0.197 407 Q C 1.823 177.936 176.000 0.188 0.000 0.953 407 Q CA 1.354 57.188 55.803 0.051 0.000 0.851 407 Q CB -0.220 28.547 28.738 0.049 0.000 0.938 407 Q HN 0.604 nan 8.270 nan 0.000 0.488 408 W N 0.584 121.869 121.300 -0.024 0.000 2.444 408 W HA 0.079 4.741 4.660 0.003 0.000 0.308 408 W C 0.578 177.141 176.519 0.074 0.000 1.183 408 W CA 1.445 58.809 57.345 0.032 0.000 1.340 408 W CB -0.031 29.460 29.460 0.051 0.000 1.138 408 W HN 0.380 nan 8.180 nan 0.000 0.510 409 G N 1.258 110.162 108.800 0.174 0.000 2.295 409 G HA2 -0.327 3.635 3.960 0.003 0.000 0.287 409 G HA3 -0.327 3.635 3.960 0.003 0.000 0.287 409 G C -0.191 174.706 174.900 -0.006 0.000 1.055 409 G CA 0.388 45.579 45.100 0.152 0.000 0.922 409 G HN 0.574 nan 8.290 nan 0.000 0.503 410 H N 0.870 119.905 119.070 -0.059 0.000 2.846 410 H HA 0.377 4.935 4.556 0.003 0.000 0.278 410 H C 1.443 176.772 175.328 0.001 0.000 1.117 410 H CA -0.241 55.789 56.048 -0.029 0.000 1.406 410 H CB 0.019 29.919 29.762 0.229 0.000 1.445 410 H HN 0.635 nan 8.280 nan 0.000 0.469 411 I N 1.364 121.887 120.570 -0.079 0.000 2.815 411 I HA 0.180 4.352 4.170 0.003 0.000 0.291 411 I C 1.195 177.407 176.117 0.158 0.000 1.209 411 I CA 0.972 62.264 61.300 -0.013 0.000 1.431 411 I CB 0.484 38.389 38.000 -0.158 0.000 1.351 411 I HN 0.752 nan 8.210 nan 0.000 0.585 412 G N 4.682 113.571 108.800 0.149 0.000 2.258 412 G HA2 -0.347 3.615 3.960 0.003 0.000 0.233 412 G HA3 -0.347 3.615 3.960 0.003 0.000 0.233 412 G C 0.448 175.383 174.900 0.059 0.000 1.006 412 G CA 0.483 45.663 45.100 0.133 0.000 0.620 412 G HN 1.100 nan 8.290 nan 0.000 0.511 413 W N 2.004 123.179 121.300 -0.207 0.000 2.305 413 W HA -0.087 4.575 4.660 0.003 0.000 0.308 413 W C 2.410 178.781 176.519 -0.247 0.000 1.226 413 W CA 2.933 59.928 57.345 -0.583 0.000 1.253 413 W CB -0.681 28.440 29.460 -0.565 0.000 1.146 413 W HN 0.389 nan 8.180 nan 0.000 0.507 414 S N 0.058 115.673 115.700 -0.141 0.000 2.390 414 S HA -0.321 4.151 4.470 0.003 0.000 0.234 414 S C 1.697 176.071 174.600 -0.377 0.000 1.063 414 S CA 2.737 60.733 58.200 -0.339 0.000 1.108 414 S CB -0.918 62.301 63.200 0.032 0.000 0.975 414 S HN 0.207 nan 8.310 nan 0.000 0.442 415 V N 3.205 123.011 119.914 -0.180 0.000 2.239 415 V HA -0.053 4.069 4.120 0.003 0.000 0.242 415 V C -0.615 175.415 176.094 -0.106 0.000 1.038 415 V CA 1.793 64.041 62.300 -0.086 0.000 1.002 415 V CB -1.802 29.997 31.823 -0.041 0.000 0.641 415 V HN 0.448 nan 8.190 nan 0.000 0.449 416 P HA -0.135 nan 4.420 nan 0.000 0.218 416 P C 1.998 179.255 177.300 -0.071 0.000 1.149 416 P CA 1.897 64.985 63.100 -0.020 0.000 0.817 416 P CB -0.045 31.680 31.700 0.041 0.000 0.785 417 S N -0.097 115.398 115.700 -0.341 0.000 2.356 417 S HA -0.137 4.335 4.470 0.003 0.000 0.223 417 S C 2.097 176.510 174.600 -0.312 0.000 1.032 417 S CA 1.425 59.343 58.200 -0.470 0.000 1.005 417 S CB -0.981 61.444 63.200 -1.293 0.000 0.867 417 S HN 0.134 nan 8.310 nan 0.000 0.449 418 A N 0.566 123.211 122.820 -0.292 0.000 1.933 418 A HA -0.001 4.321 4.320 0.003 0.000 0.218 418 A C 1.949 179.484 177.584 -0.081 0.000 1.175 418 A CA 1.596 53.552 52.037 -0.135 0.000 0.628 418 A CB -1.017 17.941 19.000 -0.069 0.000 0.814 418 A HN 0.685 nan 8.150 nan 0.000 0.444 419 F N 1.254 121.109 119.950 -0.158 0.000 2.069 419 F HA -0.049 4.480 4.527 0.003 0.000 0.298 419 F C 2.279 178.025 175.800 -0.090 0.000 1.113 419 F CA 1.673 59.607 58.000 -0.109 0.000 1.214 419 F CB -0.895 38.065 39.000 -0.067 0.000 0.978 419 F HN 0.177 nan 8.300 nan 0.000 0.474 420 G N 0.315 108.924 108.800 -0.318 0.000 2.421 420 G HA2 -0.349 3.612 3.960 0.003 0.000 0.216 420 G HA3 -0.349 3.612 3.960 0.003 0.000 0.216 420 G C 1.696 176.515 174.900 -0.134 0.000 1.171 420 G CA 0.855 45.767 45.100 -0.313 0.000 0.775 420 G HN 0.433 nan 8.290 nan 0.000 0.543 421 N N 1.439 120.046 118.700 -0.156 0.000 2.104 421 N HA -0.128 4.614 4.740 0.003 0.000 0.190 421 N C 2.517 177.857 175.510 -0.284 0.000 1.024 421 N CA 1.551 54.523 53.050 -0.129 0.000 0.853 421 N CB -0.341 38.133 38.487 -0.021 0.000 1.008 421 N HN 0.252 nan 8.380 nan 0.000 0.424 422 A N 1.325 123.799 122.820 -0.577 0.000 1.902 422 A HA -0.106 4.216 4.320 0.003 0.000 0.217 422 A C 2.341 179.672 177.584 -0.422 0.000 1.181 422 A CA 1.231 52.761 52.037 -0.846 0.000 0.623 422 A CB -0.485 18.101 19.000 -0.690 0.000 0.818 422 A HN 0.262 nan 8.150 nan 0.000 0.443 423 M N -0.531 118.823 119.600 -0.410 0.000 2.106 423 M HA -0.166 4.316 4.480 0.003 0.000 0.259 423 M C 2.078 178.178 176.300 -0.334 0.000 1.068 423 M CA 1.699 56.744 55.300 -0.426 0.000 1.100 423 M CB -1.432 30.866 32.600 -0.503 0.000 1.351 423 M HN 0.504 nan 8.290 nan 0.000 0.404 424 G N -0.859 107.760 108.800 -0.302 0.000 2.985 424 G HA2 0.047 4.009 3.960 0.003 0.000 0.209 424 G HA3 0.047 4.009 3.960 0.003 0.000 0.209 424 G C 0.355 175.099 174.900 -0.260 0.000 1.165 424 G CA 0.626 45.409 45.100 -0.528 0.000 0.776 424 G HN 0.548 nan 8.290 nan 0.000 0.541 425 S N -0.830 114.796 115.700 -0.124 0.000 2.708 425 S HA 0.232 4.704 4.470 0.003 0.000 0.141 425 S C 0.448 175.101 174.600 0.087 0.000 1.349 425 S CA -0.595 57.609 58.200 0.006 0.000 1.206 425 S CB 0.412 63.651 63.200 0.065 0.000 1.603 425 S HN 0.240 nan 8.310 nan 0.000 0.415 426 Q N 1.626 121.437 119.800 0.018 0.000 2.437 426 Q HA -0.092 4.250 4.340 0.003 0.000 0.210 426 Q C 1.353 177.391 176.000 0.064 0.000 0.972 426 Q CA 1.394 57.215 55.803 0.029 0.000 0.903 426 Q CB -0.129 28.611 28.738 0.004 0.000 0.967 426 Q HN 0.877 nan 8.270 nan 0.000 0.486 427 D N 0.171 120.604 120.400 0.054 0.000 2.317 427 D HA -0.075 4.567 4.640 0.003 0.000 0.211 427 D C 0.464 176.786 176.300 0.037 0.000 0.966 427 D CA 0.307 54.330 54.000 0.038 0.000 0.876 427 D CB 0.161 40.972 40.800 0.018 0.000 0.927 427 D HN 0.096 nan 8.370 nan 0.000 0.519 428 R N 0.091 120.626 120.500 0.057 0.000 2.549 428 R HA 0.385 4.726 4.340 0.003 0.000 0.267 428 R C -0.301 176.001 176.300 0.002 0.000 1.045 428 R CA -0.688 55.398 56.100 -0.023 0.000 1.115 428 R CB 0.732 30.945 30.300 -0.144 0.000 1.121 428 R HN -0.065 nan 8.270 nan 0.000 0.543 429 Q N 1.135 120.893 119.800 -0.070 0.000 2.279 429 Q HA 0.189 4.531 4.340 0.003 0.000 0.256 429 Q C -1.195 174.726 176.000 -0.131 0.000 0.937 429 Q CA 0.183 55.976 55.803 -0.017 0.000 0.933 429 Q CB 1.010 29.749 28.738 0.002 0.000 1.189 429 Q HN 0.376 nan 8.270 nan 0.000 0.417 430 H N 0.343 119.436 119.070 0.038 0.000 2.504 430 H HA 0.571 5.129 4.556 0.003 0.000 0.322 430 H C -0.961 174.409 175.328 0.069 0.000 1.055 430 H CA -0.518 55.556 56.048 0.043 0.000 1.231 430 H CB 1.005 30.784 29.762 0.028 0.000 1.417 430 H HN 0.284 nan 8.280 nan 0.000 0.472 431 V N 4.794 124.804 119.914 0.160 0.000 2.540 431 V HA 0.361 4.483 4.120 0.003 0.000 0.302 431 V C -0.533 175.676 176.094 0.192 0.000 1.035 431 V CA -0.792 61.625 62.300 0.196 0.000 0.873 431 V CB 2.006 33.956 31.823 0.212 0.000 0.992 431 V HN 0.477 nan 8.190 nan 0.000 0.428 432 V N 5.588 125.632 119.914 0.217 0.000 2.495 432 V HA 0.536 4.657 4.120 0.003 0.000 0.298 432 V C -0.189 176.048 176.094 0.239 0.000 1.031 432 V CA -0.511 61.898 62.300 0.181 0.000 0.871 432 V CB 1.892 33.792 31.823 0.129 0.000 0.988 432 V HN 0.831 nan 8.190 nan 0.000 0.432 433 M N 5.123 124.834 119.600 0.186 0.000 2.114 433 M HA 0.639 5.121 4.480 0.003 0.000 0.332 433 M C -1.095 175.283 176.300 0.129 0.000 1.014 433 M CA -0.565 54.833 55.300 0.164 0.000 0.956 433 M CB 1.881 34.548 32.600 0.112 0.000 1.551 433 M HN 0.461 nan 8.290 nan 0.000 0.427 434 V N 2.926 122.902 119.914 0.102 0.000 2.808 434 V HA 0.829 4.951 4.120 0.003 0.000 0.308 434 V C -0.122 175.979 176.094 0.011 0.000 1.099 434 V CA -0.294 62.055 62.300 0.082 0.000 0.920 434 V CB 2.212 34.126 31.823 0.152 0.000 1.014 434 V HN 0.926 nan 8.190 nan 0.000 0.425 435 G N 3.432 112.233 108.800 0.000 0.000 2.572 435 G HA2 0.301 4.263 3.960 0.003 0.000 0.261 435 G HA3 0.301 4.263 3.960 0.003 0.000 0.261 435 G C 0.665 175.515 174.900 -0.083 0.000 1.197 435 G CA 0.409 45.481 45.100 -0.047 0.000 0.870 435 G HN 0.932 nan 8.290 nan 0.000 0.548 436 D N 0.141 120.439 120.400 -0.170 0.000 2.144 436 D HA -0.098 4.544 4.640 0.003 0.000 0.200 436 D C 2.185 178.442 176.300 -0.073 0.000 0.978 436 D CA 1.349 55.173 54.000 -0.294 0.000 0.833 436 D CB -0.904 39.693 40.800 -0.338 0.000 0.961 436 D HN 0.473 nan 8.370 nan 0.000 0.470 437 G N 0.318 109.143 108.800 0.042 0.000 2.402 437 G HA2 -0.227 3.735 3.960 0.003 0.000 0.216 437 G HA3 -0.227 3.735 3.960 0.003 0.000 0.216 437 G C 1.849 176.843 174.900 0.158 0.000 1.162 437 G CA 1.071 46.301 45.100 0.218 0.000 0.777 437 G HN 0.362 nan 8.290 nan 0.000 0.539 438 S N 0.292 116.044 115.700 0.087 0.000 2.368 438 S HA -0.064 4.408 4.470 0.003 0.000 0.224 438 S C 1.883 176.548 174.600 0.109 0.000 1.029 438 S CA 0.835 59.074 58.200 0.065 0.000 0.988 438 S CB -0.370 62.858 63.200 0.047 0.000 0.838 438 S HN 0.371 nan 8.310 nan 0.000 0.462 439 F N 2.593 122.525 119.950 -0.029 0.000 2.161 439 F HA -0.155 4.374 4.527 0.003 0.000 0.300 439 F C 2.353 178.183 175.800 0.050 0.000 1.089 439 F CA 1.407 59.413 58.000 0.009 0.000 1.282 439 F CB -0.377 38.599 39.000 -0.041 0.000 1.010 439 F HN 0.202 nan 8.300 nan 0.000 0.485 440 Q N -0.315 119.487 119.800 0.003 0.000 2.226 440 Q HA -0.180 4.162 4.340 0.003 0.000 0.204 440 Q C 2.107 178.158 176.000 0.085 0.000 0.975 440 Q CA 1.307 57.046 55.803 -0.106 0.000 0.866 440 Q CB -0.253 28.301 28.738 -0.306 0.000 0.915 440 Q HN 0.409 nan 8.270 nan 0.000 0.440 441 L N -0.145 121.118 121.223 0.066 0.000 2.093 441 L HA -0.113 4.229 4.340 0.003 0.000 0.208 441 L C 2.055 178.982 176.870 0.096 0.000 1.085 441 L CA 1.812 56.719 54.840 0.112 0.000 0.755 441 L CB -0.102 42.040 42.059 0.137 0.000 0.904 441 L HN 0.297 nan 8.230 nan 0.000 0.435 442 T N -5.859 108.694 114.554 -0.001 0.000 3.209 442 T HA 0.373 4.725 4.350 0.003 0.000 0.295 442 T C 1.541 176.128 174.700 -0.187 0.000 0.977 442 T CA 0.220 62.298 62.100 -0.038 0.000 0.922 442 T CB 0.133 68.998 68.868 -0.006 0.000 1.152 442 T HN 0.065 nan 8.240 nan 0.000 0.527 443 A N 3.084 125.720 122.820 -0.306 0.000 1.940 443 A HA -0.268 4.054 4.320 0.003 0.000 0.221 443 A C 2.470 179.950 177.584 -0.173 0.000 1.190 443 A CA 2.152 53.864 52.037 -0.542 0.000 0.647 443 A CB -0.789 18.105 19.000 -0.177 0.000 0.821 443 A HN 0.729 nan 8.150 nan 0.000 0.457 444 Q N -0.663 119.097 119.800 -0.068 0.000 2.368 444 Q HA -0.220 4.122 4.340 0.003 0.000 0.210 444 Q C 1.246 176.994 176.000 -0.420 0.000 0.982 444 Q CA 1.881 57.560 55.803 -0.205 0.000 0.884 444 Q CB -0.438 28.250 28.738 -0.082 0.000 0.933 444 Q HN 0.642 nan 8.270 nan 0.000 0.460 445 E N 0.699 120.715 120.200 -0.306 0.000 2.427 445 E HA 0.000 4.352 4.350 0.003 0.000 0.196 445 E C 1.746 178.107 176.600 -0.399 0.000 1.028 445 E CA 0.242 56.426 56.400 -0.361 0.000 0.864 445 E CB 0.057 29.598 29.700 -0.266 0.000 0.813 445 E HN 0.225 nan 8.360 nan 0.000 0.514 446 V N 0.224 119.956 119.914 -0.304 0.000 2.594 446 V HA -0.235 3.887 4.120 0.003 0.000 0.253 446 V C 2.170 178.082 176.094 -0.303 0.000 1.069 446 V CA 1.550 63.766 62.300 -0.140 0.000 1.082 446 V CB -0.668 31.280 31.823 0.209 0.000 0.680 446 V HN 0.377 nan 8.190 nan 0.000 0.469 447 A N -0.644 121.728 122.820 -0.747 0.000 1.969 447 A HA -0.192 4.129 4.320 0.003 0.000 0.218 447 A C 2.201 179.583 177.584 -0.336 0.000 1.169 447 A CA 1.261 52.901 52.037 -0.661 0.000 0.635 447 A CB -0.303 18.132 19.000 -0.942 0.000 0.810 447 A HN 0.509 nan 8.150 nan 0.000 0.445 448 Q N -0.471 119.091 119.800 -0.397 0.000 2.079 448 Q HA -0.063 4.279 4.340 0.003 0.000 0.200 448 Q C 2.108 178.073 176.000 -0.059 0.000 0.974 448 Q CA 1.515 57.119 55.803 -0.333 0.000 0.840 448 Q CB -0.576 27.661 28.738 -0.836 0.000 0.898 448 Q HN 0.783 nan 8.270 nan 0.000 0.430 449 M N -0.174 119.372 119.600 -0.089 0.000 2.108 449 M HA -0.164 4.318 4.480 0.003 0.000 0.261 449 M C 2.226 178.619 176.300 0.156 0.000 1.066 449 M CA 1.157 56.575 55.300 0.198 0.000 1.107 449 M CB -0.380 32.314 32.600 0.157 0.000 1.356 449 M HN -0.027 nan 8.290 nan 0.000 0.406 450 V N 0.127 120.079 119.914 0.063 0.000 2.261 450 V HA -0.283 3.839 4.120 0.003 0.000 0.246 450 V C 2.409 178.522 176.094 0.031 0.000 1.047 450 V CA 2.119 64.458 62.300 0.066 0.000 1.015 450 V CB -0.833 31.026 31.823 0.060 0.000 0.642 450 V HN 0.478 nan 8.190 nan 0.000 0.446 451 R N -0.679 119.785 120.500 -0.061 0.000 2.096 451 R HA -0.217 4.125 4.340 0.003 0.000 0.240 451 R C 1.959 178.111 176.300 -0.246 0.000 1.139 451 R CA 2.219 58.192 56.100 -0.211 0.000 0.952 451 R CB -0.277 29.790 30.300 -0.389 0.000 0.854 451 R HN 0.564 nan 8.270 nan 0.000 0.436 452 Y N 0.874 121.247 120.300 0.122 0.000 2.493 452 Y HA 0.200 4.751 4.550 0.003 0.000 0.275 452 Y C -0.196 175.769 175.900 0.108 0.000 1.183 452 Y CA 0.047 58.224 58.100 0.129 0.000 1.258 452 Y CB 0.240 38.814 38.460 0.190 0.000 1.108 452 Y HN 0.170 nan 8.280 nan 0.000 0.521 453 E N 0.320 120.639 120.200 0.200 0.000 2.271 453 E HA -0.232 4.120 4.350 0.003 0.000 0.223 453 E C -0.949 175.738 176.600 0.145 0.000 1.223 453 E CA 0.178 56.673 56.400 0.157 0.000 0.704 453 E CB -1.852 27.926 29.700 0.129 0.000 1.194 453 E HN 0.429 nan 8.360 nan 0.000 0.375 454 L N 1.531 122.853 121.223 0.165 0.000 2.265 454 L HA 0.299 4.641 4.340 0.003 0.000 0.289 454 L C -1.571 175.364 176.870 0.109 0.000 1.033 454 L CA -2.001 52.914 54.840 0.126 0.000 0.814 454 L CB 0.665 42.808 42.059 0.140 0.000 1.203 454 L HN -0.104 nan 8.230 nan 0.000 0.423 455 P HA 0.068 nan 4.420 nan 0.000 0.226 455 P C -0.218 177.137 177.300 0.092 0.000 1.783 455 P CA -0.061 63.089 63.100 0.083 0.000 0.980 455 P CB 0.058 31.799 31.700 0.070 0.000 1.967 456 V N 2.888 122.860 119.914 0.097 0.000 2.530 456 V HA 0.153 4.275 4.120 0.003 0.000 0.282 456 V C 1.046 177.182 176.094 0.069 0.000 1.048 456 V CA -0.341 62.023 62.300 0.108 0.000 0.997 456 V CB 0.980 32.867 31.823 0.108 0.000 0.987 456 V HN 0.208 nan 8.190 nan 0.000 0.477 457 I N 6.101 126.705 120.570 0.057 0.000 2.304 457 I HA 0.378 4.550 4.170 0.003 0.000 0.291 457 I C -0.248 175.826 176.117 -0.072 0.000 1.018 457 I CA 0.010 61.279 61.300 -0.052 0.000 1.260 457 I CB 0.869 38.828 38.000 -0.067 0.000 1.390 457 I HN 0.434 nan 8.210 nan 0.000 0.475 458 I N 6.725 127.211 120.570 -0.140 0.000 2.328 458 I HA 0.247 4.419 4.170 0.003 0.000 0.287 458 I C -0.630 175.344 176.117 -0.239 0.000 1.012 458 I CA -0.354 60.900 61.300 -0.076 0.000 1.195 458 I CB 0.623 38.631 38.000 0.014 0.000 1.350 458 I HN 0.353 nan 8.210 nan 0.000 0.464 459 F N 6.905 126.855 119.950 -0.001 0.000 2.368 459 F HA 0.222 4.751 4.527 0.003 0.000 0.362 459 F C 0.195 175.946 175.800 -0.082 0.000 1.137 459 F CA -0.388 57.593 58.000 -0.033 0.000 1.161 459 F CB 0.615 39.609 39.000 -0.009 0.000 1.265 459 F HN 0.304 nan 8.300 nan 0.000 0.530 460 L N 6.271 127.464 121.223 -0.050 0.000 2.283 460 L HA 0.338 4.680 4.340 0.003 0.000 0.287 460 L C -0.468 176.306 176.870 -0.159 0.000 1.073 460 L CA -0.325 54.388 54.840 -0.211 0.000 0.822 460 L CB 0.335 42.111 42.059 -0.471 0.000 1.186 460 L HN 0.360 nan 8.230 nan 0.000 0.436 461 I N 5.222 125.718 120.570 -0.122 0.000 2.260 461 I HA 0.098 4.270 4.170 0.003 0.000 0.297 461 I C 0.505 176.533 176.117 -0.148 0.000 1.143 461 I CA -0.187 61.061 61.300 -0.087 0.000 1.271 461 I CB -0.362 37.616 38.000 -0.036 0.000 1.461 461 I HN 0.525 nan 8.210 nan 0.000 0.530 462 N N 5.972 124.579 118.700 -0.154 0.000 2.555 462 N HA 0.047 4.789 4.740 0.003 0.000 0.244 462 N C 0.542 176.024 175.510 -0.047 0.000 1.114 462 N CA -0.117 52.850 53.050 -0.138 0.000 0.963 462 N CB 0.187 38.623 38.487 -0.086 0.000 1.276 462 N HN 0.450 nan 8.380 nan 0.000 0.510 463 N N 2.214 120.888 118.700 -0.043 0.000 2.204 463 N HA 0.113 4.854 4.740 0.003 0.000 0.219 463 N C -0.512 174.997 175.510 -0.002 0.000 1.151 463 N CA -0.275 52.766 53.050 -0.016 0.000 0.867 463 N CB 0.275 38.750 38.487 -0.019 0.000 1.043 463 N HN 0.217 nan 8.380 nan 0.000 0.516 464 R N -0.479 120.023 120.500 0.003 0.000 3.418 464 R HA -0.056 4.286 4.340 0.003 0.000 0.274 464 R C 0.282 176.570 176.300 -0.021 0.000 1.108 464 R CA 0.840 56.954 56.100 0.023 0.000 0.741 464 R CB -2.256 28.078 30.300 0.057 0.000 1.223 464 R HN 0.739 nan 8.270 nan 0.000 0.434 465 G N -1.136 107.609 108.800 -0.090 0.000 2.357 465 G HA2 0.093 4.054 3.960 0.003 0.000 0.289 465 G HA3 0.093 4.054 3.960 0.003 0.000 0.289 465 G C -1.442 173.390 174.900 -0.113 0.000 1.302 465 G CA -0.879 44.081 45.100 -0.232 0.000 0.936 465 G HN 0.015 nan 8.290 nan 0.000 0.513 466 Y N 1.385 121.574 120.300 -0.185 0.000 2.570 466 Y HA 0.360 4.911 4.550 0.003 0.000 0.336 466 Y C 1.968 177.781 175.900 -0.146 0.000 1.284 466 Y CA -0.709 57.307 58.100 -0.141 0.000 1.761 466 Y CB -0.020 38.375 38.460 -0.110 0.000 1.724 466 Y HN 0.306 nan 8.280 nan 0.000 0.455 467 V N 2.339 122.266 119.914 0.022 0.000 2.358 467 V HA -0.307 3.815 4.120 0.003 0.000 0.246 467 V C 2.316 178.406 176.094 -0.007 0.000 1.047 467 V CA 1.694 63.982 62.300 -0.020 0.000 1.035 467 V CB -0.459 31.350 31.823 -0.023 0.000 0.658 467 V HN 0.747 nan 8.190 nan 0.000 0.452 468 I N -0.219 120.352 120.570 0.002 0.000 2.502 468 I HA -0.282 3.890 4.170 0.003 0.000 0.258 468 I C 2.268 178.408 176.117 0.038 0.000 1.172 468 I CA 1.718 63.025 61.300 0.012 0.000 1.430 468 I CB 0.179 38.178 38.000 -0.001 0.000 1.086 468 I HN 0.330 nan 8.210 nan 0.000 0.440 469 E N 0.379 120.607 120.200 0.046 0.000 2.201 469 E HA 0.068 4.420 4.350 0.003 0.000 0.193 469 E C 1.943 178.590 176.600 0.078 0.000 0.957 469 E CA 0.534 56.985 56.400 0.085 0.000 0.858 469 E CB -0.049 29.729 29.700 0.129 0.000 0.816 469 E HN 0.477 nan 8.360 nan 0.000 0.475 470 I N 0.597 121.174 120.570 0.011 0.000 2.264 470 I HA -0.271 3.901 4.170 0.003 0.000 0.248 470 I C 2.161 178.279 176.117 0.001 0.000 1.111 470 I CA 1.248 62.530 61.300 -0.030 0.000 1.382 470 I CB -0.229 37.711 38.000 -0.101 0.000 1.060 470 I HN 0.111 nan 8.210 nan 0.000 0.418 471 A N 0.070 122.888 122.820 -0.002 0.000 2.014 471 A HA -0.087 4.235 4.320 0.003 0.000 0.218 471 A C 2.049 179.631 177.584 -0.003 0.000 1.163 471 A CA 1.467 53.496 52.037 -0.012 0.000 0.652 471 A CB -0.286 18.694 19.000 -0.034 0.000 0.808 471 A HN 0.321 nan 8.150 nan 0.000 0.449 472 I N -2.695 117.891 120.570 0.026 0.000 3.194 472 I HA 0.171 4.342 4.170 0.003 0.000 0.271 472 I C 0.571 176.753 176.117 0.110 0.000 1.150 472 I CA 0.679 62.004 61.300 0.042 0.000 1.440 472 I CB -0.061 37.960 38.000 0.035 0.000 1.276 472 I HN 0.458 nan 8.210 nan 0.000 0.457 473 H N -0.043 119.048 119.070 0.034 0.000 3.059 473 H HA 0.302 4.860 4.556 0.003 0.000 0.302 473 H C -1.297 174.103 175.328 0.119 0.000 1.264 473 H CA -0.589 55.501 56.048 0.071 0.000 1.615 473 H CB 0.321 30.131 29.762 0.078 0.000 1.795 473 H HN -0.079 nan 8.280 nan 0.000 0.556 474 D N 2.422 122.786 120.400 -0.061 0.000 2.264 474 D HA 0.602 5.244 4.640 0.003 0.000 0.249 474 D C 0.239 176.459 176.300 -0.134 0.000 1.070 474 D CA 0.647 54.628 54.000 -0.031 0.000 0.912 474 D CB 1.360 42.151 40.800 -0.015 0.000 1.193 474 D HN 0.754 nan 8.370 nan 0.000 0.427 475 G N 1.740 110.343 108.800 -0.329 0.000 2.576 475 G HA2 0.290 4.252 3.960 0.003 0.000 0.290 475 G HA3 0.290 4.252 3.960 0.003 0.000 0.290 475 G C -2.321 172.170 174.900 -0.683 0.000 1.442 475 G CA -0.903 43.766 45.100 -0.718 0.000 0.792 475 G HN 0.264 nan 8.290 nan 0.000 0.491 476 P HA -0.124 nan 4.420 nan 0.000 0.221 476 P C 1.131 178.421 177.300 -0.016 0.000 1.145 476 P CA 1.212 64.251 63.100 -0.102 0.000 0.795 476 P CB -0.170 31.489 31.700 -0.068 0.000 0.775 477 Y N -1.362 119.027 120.300 0.148 0.000 2.616 477 Y HA 0.122 4.674 4.550 0.003 0.000 0.296 477 Y C 1.573 177.507 175.900 0.056 0.000 1.154 477 Y CA -0.021 58.145 58.100 0.111 0.000 1.325 477 Y CB -1.988 36.544 38.460 0.121 0.000 1.007 477 Y HN -0.103 nan 8.280 nan 0.000 0.542 478 N N -0.520 118.172 118.700 -0.013 0.000 2.336 478 N HA 0.008 4.750 4.740 0.003 0.000 0.189 478 N C -1.119 173.943 175.510 -0.748 0.000 1.113 478 N CA 0.207 53.090 53.050 -0.278 0.000 0.858 478 N CB -0.068 38.182 38.487 -0.395 0.000 0.970 478 N HN 0.391 nan 8.380 nan 0.000 0.471 479 Y N 0.960 121.122 120.300 -0.230 0.000 2.328 479 Y HA 0.449 5.001 4.550 0.003 0.000 0.337 479 Y C 0.626 176.394 175.900 -0.220 0.000 0.966 479 Y CA -1.146 56.825 58.100 -0.216 0.000 1.136 479 Y CB 0.883 39.264 38.460 -0.132 0.000 1.170 479 Y HN -0.128 nan 8.280 nan 0.000 0.470 480 I N -0.502 119.985 120.570 -0.138 0.000 2.863 480 I HA 0.676 4.848 4.170 0.003 0.000 0.311 480 I C -0.504 175.603 176.117 -0.017 0.000 1.026 480 I CA -1.691 59.536 61.300 -0.122 0.000 1.077 480 I CB 1.594 39.447 38.000 -0.245 0.000 1.262 480 I HN 0.246 nan 8.210 nan 0.000 0.461 481 K N 3.092 123.510 120.400 0.031 0.000 2.412 481 K HA 0.097 4.419 4.320 0.003 0.000 0.284 481 K C -0.274 176.379 176.600 0.087 0.000 1.046 481 K CA 0.276 56.622 56.287 0.099 0.000 0.999 481 K CB 0.071 32.683 32.500 0.188 0.000 0.941 481 K HN 0.686 nan 8.250 nan 0.000 0.474 482 N N 3.531 122.289 118.700 0.098 0.000 2.479 482 N HA 0.130 4.872 4.740 0.003 0.000 0.257 482 N C -1.151 174.466 175.510 0.178 0.000 1.232 482 N CA 0.019 53.126 53.050 0.095 0.000 0.920 482 N CB 0.343 38.889 38.487 0.098 0.000 1.105 482 N HN 0.345 nan 8.380 nan 0.000 0.444 483 W N 0.361 121.407 121.300 -0.423 0.000 2.736 483 W HA 0.262 4.924 4.660 0.003 0.000 0.355 483 W C -0.173 175.982 176.519 -0.607 0.000 1.102 483 W CA -0.823 56.145 57.345 -0.628 0.000 1.164 483 W CB 0.177 29.071 29.460 -0.942 0.000 1.422 483 W HN 0.423 nan 8.180 nan 0.000 0.572 484 D N 0.739 121.052 120.400 -0.146 0.000 2.517 484 D HA 0.078 4.719 4.640 0.003 0.000 0.220 484 D C 0.635 176.896 176.300 -0.065 0.000 1.158 484 D CA -0.082 53.867 54.000 -0.085 0.000 0.992 484 D CB -0.184 40.580 40.800 -0.061 0.000 1.058 484 D HN 0.174 nan 8.370 nan 0.000 0.516 485 Y N 2.006 122.379 120.300 0.122 0.000 2.181 485 Y HA -0.134 4.418 4.550 0.003 0.000 0.288 485 Y C 2.490 178.391 175.900 0.001 0.000 1.146 485 Y CA 1.200 59.348 58.100 0.080 0.000 1.164 485 Y CB -0.471 37.947 38.460 -0.070 0.000 0.982 485 Y HN 0.477 nan 8.280 nan 0.000 0.515 486 A N 0.304 123.201 122.820 0.128 0.000 1.902 486 A HA -0.120 4.202 4.320 0.003 0.000 0.217 486 A C 2.548 180.142 177.584 0.016 0.000 1.181 486 A CA 1.739 53.806 52.037 0.051 0.000 0.623 486 A CB -1.484 17.536 19.000 0.035 0.000 0.818 486 A HN 0.472 nan 8.150 nan 0.000 0.443 487 G N -0.741 108.055 108.800 -0.007 0.000 2.509 487 G HA2 -0.034 3.928 3.960 0.003 0.000 0.218 487 G HA3 -0.034 3.928 3.960 0.003 0.000 0.218 487 G C 1.328 176.165 174.900 -0.106 0.000 1.124 487 G CA 0.954 46.022 45.100 -0.053 0.000 0.776 487 G HN 0.449 nan 8.290 nan 0.000 0.547 488 L N 0.155 121.314 121.223 -0.107 0.000 2.275 488 L HA 0.132 4.474 4.340 0.003 0.000 0.215 488 L C 2.561 179.223 176.870 -0.347 0.000 1.119 488 L CA 1.105 55.788 54.840 -0.262 0.000 0.790 488 L CB -0.231 41.760 42.059 -0.113 0.000 0.919 488 L HN 0.076 nan 8.230 nan 0.000 0.443 489 M N -0.981 118.560 119.600 -0.098 0.000 2.086 489 M HA -0.153 4.329 4.480 0.003 0.000 0.261 489 M C 2.114 178.401 176.300 -0.022 0.000 1.067 489 M CA 1.381 56.686 55.300 0.009 0.000 1.116 489 M CB -1.039 31.599 32.600 0.064 0.000 1.348 489 M HN 0.221 nan 8.290 nan 0.000 0.407 490 E N 0.071 120.236 120.200 -0.058 0.000 2.118 490 E HA -0.119 4.233 4.350 0.003 0.000 0.195 490 E C 2.257 178.809 176.600 -0.080 0.000 0.992 490 E CA 0.943 57.311 56.400 -0.054 0.000 0.804 490 E CB -0.479 29.188 29.700 -0.054 0.000 0.741 490 E HN 0.302 nan 8.360 nan 0.000 0.458 491 V N 0.783 120.590 119.914 -0.180 0.000 2.295 491 V HA -0.244 3.878 4.120 0.003 0.000 0.246 491 V C 2.078 178.122 176.094 -0.085 0.000 1.049 491 V CA 1.666 63.839 62.300 -0.213 0.000 1.024 491 V CB -0.573 31.017 31.823 -0.388 0.000 0.648 491 V HN 0.133 nan 8.190 nan 0.000 0.447 492 F N 0.528 120.474 119.950 -0.007 0.000 2.325 492 F HA -0.020 4.509 4.527 0.003 0.000 0.299 492 F C 2.265 178.052 175.800 -0.023 0.000 1.090 492 F CA 0.518 58.512 58.000 -0.010 0.000 1.392 492 F CB -1.162 37.845 39.000 0.011 0.000 1.053 492 F HN 0.205 nan 8.300 nan 0.000 0.521 493 N N 0.737 119.516 118.700 0.131 0.000 2.106 493 N HA -0.088 4.654 4.740 0.003 0.000 0.188 493 N C 1.458 176.973 175.510 0.009 0.000 1.029 493 N CA 1.437 54.512 53.050 0.042 0.000 0.848 493 N CB -0.676 37.810 38.487 -0.001 0.000 1.007 493 N HN 0.105 nan 8.380 nan 0.000 0.423 494 A N -0.535 122.287 122.820 0.004 0.000 2.748 494 A HA -0.094 4.228 4.320 0.003 0.000 0.297 494 A C 1.348 178.916 177.584 -0.026 0.000 1.508 494 A CA 1.830 53.861 52.037 -0.010 0.000 0.799 494 A CB -1.953 17.051 19.000 0.006 0.000 1.011 494 A HN 0.910 nan 8.150 nan 0.000 0.500 495 G N -2.286 106.490 108.800 -0.039 0.000 2.184 495 G HA2 -0.350 3.612 3.960 0.003 0.000 0.264 495 G HA3 -0.350 3.612 3.960 0.003 0.000 0.264 495 G C 0.583 175.438 174.900 -0.075 0.000 0.975 495 G CA 1.462 46.531 45.100 -0.051 0.000 0.642 495 G HN 0.884 nan 8.290 nan 0.000 0.536 496 E N -0.063 120.088 120.200 -0.082 0.000 2.110 496 E HA 0.308 4.659 4.350 0.003 0.000 0.194 496 E C 2.000 178.478 176.600 -0.203 0.000 0.944 496 E CA 0.175 56.514 56.400 -0.103 0.000 0.899 496 E CB -0.027 29.638 29.700 -0.058 0.000 0.907 496 E HN 0.430 nan 8.360 nan 0.000 0.473 497 G N -0.262 108.447 108.800 -0.153 0.000 2.653 497 G HA2 0.011 3.973 3.960 0.003 0.000 0.265 497 G HA3 0.011 3.973 3.960 0.003 0.000 0.265 497 G C -0.518 174.193 174.900 -0.316 0.000 1.237 497 G CA -0.157 44.848 45.100 -0.158 0.000 0.946 497 G HN 0.308 nan 8.290 nan 0.000 0.522 498 H N -1.198 117.897 119.070 0.042 0.000 2.467 498 H HA 0.365 4.922 4.556 0.003 0.000 0.275 498 H C 1.250 176.607 175.328 0.049 0.000 1.131 498 H CA 0.064 56.137 56.048 0.040 0.000 0.989 498 H CB 0.471 30.255 29.762 0.036 0.000 1.696 498 H HN 0.598 nan 8.280 nan 0.000 0.574 499 G N 0.614 109.485 108.800 0.118 0.000 2.483 499 G HA2 0.384 4.346 3.960 0.003 0.000 0.248 499 G HA3 0.384 4.346 3.960 0.003 0.000 0.248 499 G C -0.573 174.377 174.900 0.084 0.000 1.248 499 G CA -0.429 44.738 45.100 0.112 0.000 0.838 499 G HN 0.267 nan 8.290 nan 0.000 0.566 500 L N 1.170 122.435 121.223 0.071 0.000 2.365 500 L HA 0.661 5.003 4.340 0.003 0.000 0.273 500 L C 0.425 177.314 176.870 0.031 0.000 1.000 500 L CA -0.878 53.989 54.840 0.044 0.000 0.819 500 L CB 2.258 44.337 42.059 0.033 0.000 1.284 500 L HN 0.660 nan 8.230 nan 0.000 0.418 501 G N 4.854 113.667 108.800 0.021 0.000 2.487 501 G HA2 0.679 4.641 3.960 0.003 0.000 0.314 501 G HA3 0.679 4.641 3.960 0.003 0.000 0.314 501 G C -1.252 173.649 174.900 0.002 0.000 1.267 501 G CA -0.304 44.803 45.100 0.012 0.000 0.937 501 G HN 0.385 nan 8.290 nan 0.000 0.481 502 L N 1.387 122.604 121.223 -0.010 0.000 2.388 502 L HA 0.564 4.906 4.340 0.003 0.000 0.264 502 L C -0.053 176.814 176.870 -0.006 0.000 0.998 502 L CA -1.015 53.820 54.840 -0.009 0.000 0.817 502 L CB 2.875 44.924 42.059 -0.016 0.000 1.338 502 L HN 0.290 nan 8.230 nan 0.000 0.414 503 K N 1.571 121.973 120.400 0.004 0.000 2.185 503 K HA 0.741 5.063 4.320 0.003 0.000 0.269 503 K C -0.766 175.838 176.600 0.007 0.000 0.987 503 K CA -0.514 55.779 56.287 0.010 0.000 0.865 503 K CB 2.015 34.526 32.500 0.018 0.000 1.090 503 K HN 0.664 nan 8.250 nan 0.000 0.450 504 A N 2.132 124.955 122.820 0.006 0.000 2.304 504 A HA 0.357 4.679 4.320 0.003 0.000 0.314 504 A C 0.318 177.900 177.584 -0.002 0.000 1.187 504 A CA -0.391 51.648 52.037 0.002 0.000 0.810 504 A CB 1.321 20.325 19.000 0.007 0.000 1.183 504 A HN 0.715 nan 8.150 nan 0.000 0.487 505 T N 0.718 115.270 114.554 -0.005 0.000 2.958 505 T HA 0.241 4.593 4.350 0.003 0.000 0.256 505 T C 0.614 175.309 174.700 -0.009 0.000 0.983 505 T CA 1.288 63.387 62.100 -0.002 0.000 0.924 505 T CB 0.042 68.913 68.868 0.005 0.000 1.136 505 T HN 1.022 nan 8.240 nan 0.000 0.506 506 T N -1.323 113.222 114.554 -0.015 0.000 2.883 506 T HA 0.517 4.869 4.350 0.003 0.000 0.296 506 T C -2.560 172.114 174.700 -0.043 0.000 1.117 506 T CA -1.581 60.508 62.100 -0.017 0.000 1.006 506 T CB 1.709 70.576 68.868 -0.001 0.000 1.191 506 T HN -0.360 nan 8.240 nan 0.000 0.508 507 P HA -0.036 nan 4.420 nan 0.000 0.218 507 P C 1.475 178.780 177.300 0.007 0.000 1.149 507 P CA 0.864 63.918 63.100 -0.077 0.000 0.817 507 P CB 0.156 31.880 31.700 0.040 0.000 0.785 508 K N 0.379 120.802 120.400 0.039 0.000 2.057 508 K HA -0.198 4.124 4.320 0.003 0.000 0.207 508 K C 2.065 178.690 176.600 0.042 0.000 1.049 508 K CA 1.487 57.809 56.287 0.058 0.000 0.931 508 K CB -0.263 32.262 32.500 0.043 0.000 0.714 508 K HN 0.067 nan 8.250 nan 0.000 0.440 509 E N 0.306 120.515 120.200 0.015 0.000 2.204 509 E HA -0.169 4.183 4.350 0.003 0.000 0.194 509 E C 1.948 178.554 176.600 0.010 0.000 0.989 509 E CA 0.520 56.928 56.400 0.012 0.000 0.824 509 E CB 0.080 29.783 29.700 0.004 0.000 0.756 509 E HN 0.167 nan 8.360 nan 0.000 0.477 510 L N 0.105 121.313 121.223 -0.025 0.000 2.131 510 L HA -0.074 4.267 4.340 0.003 0.000 0.206 510 L C 2.339 179.248 176.870 0.065 0.000 1.087 510 L CA 1.737 56.558 54.840 -0.032 0.000 0.767 510 L CB -0.682 41.250 42.059 -0.212 0.000 0.917 510 L HN 0.006 nan 8.230 nan 0.000 0.441 511 T N -0.909 113.716 114.554 0.119 0.000 2.746 511 T HA -0.190 4.162 4.350 0.003 0.000 0.267 511 T C 1.737 176.517 174.700 0.133 0.000 1.039 511 T CA 1.817 64.055 62.100 0.230 0.000 1.142 511 T CB -0.062 68.960 68.868 0.258 0.000 0.866 511 T HN 0.468 nan 8.240 nan 0.000 0.444 512 E N 0.320 120.572 120.200 0.087 0.000 2.072 512 E HA 0.004 4.356 4.350 0.003 0.000 0.191 512 E C 2.431 179.063 176.600 0.053 0.000 0.985 512 E CA 0.964 57.401 56.400 0.060 0.000 0.801 512 E CB -0.198 29.528 29.700 0.043 0.000 0.750 512 E HN 0.511 nan 8.360 nan 0.000 0.452 513 A N 0.807 123.657 122.820 0.051 0.000 1.933 513 A HA -0.163 4.159 4.320 0.003 0.000 0.218 513 A C 2.128 179.732 177.584 0.034 0.000 1.175 513 A CA 1.048 53.103 52.037 0.030 0.000 0.628 513 A CB -0.504 18.506 19.000 0.016 0.000 0.814 513 A HN 0.161 nan 8.150 nan 0.000 0.444 514 I N -0.371 120.252 120.570 0.089 0.000 2.315 514 I HA -0.224 3.947 4.170 0.003 0.000 0.248 514 I C 2.927 179.093 176.117 0.080 0.000 1.117 514 I CA 0.847 62.215 61.300 0.114 0.000 1.404 514 I CB -0.288 37.848 38.000 0.227 0.000 1.071 514 I HN 0.347 nan 8.210 nan 0.000 0.419 515 A N 0.971 123.836 122.820 0.074 0.000 1.908 515 A HA -0.193 4.129 4.320 0.003 0.000 0.218 515 A C 2.410 180.017 177.584 0.039 0.000 1.181 515 A CA 1.387 53.456 52.037 0.054 0.000 0.627 515 A CB -0.462 18.568 19.000 0.050 0.000 0.818 515 A HN 0.257 nan 8.150 nan 0.000 0.445 516 R N -0.522 119.998 120.500 0.032 0.000 2.081 516 R HA -0.080 4.262 4.340 0.003 0.000 0.235 516 R C 2.469 178.780 176.300 0.018 0.000 1.131 516 R CA 1.323 57.437 56.100 0.023 0.000 0.960 516 R CB -0.857 29.454 30.300 0.018 0.000 0.856 516 R HN 0.537 nan 8.270 nan 0.000 0.436 517 A N 1.764 124.590 122.820 0.010 0.000 1.877 517 A HA -0.182 4.139 4.320 0.003 0.000 0.216 517 A C 2.069 179.664 177.584 0.019 0.000 1.186 517 A CA 1.479 53.514 52.037 -0.003 0.000 0.620 517 A CB -0.314 18.659 19.000 -0.044 0.000 0.822 517 A HN 0.235 nan 8.150 nan 0.000 0.443 518 K N -0.300 120.119 120.400 0.032 0.000 2.147 518 K HA -0.048 4.274 4.320 0.003 0.000 0.205 518 K C 2.019 178.637 176.600 0.029 0.000 1.049 518 K CA 1.098 57.407 56.287 0.037 0.000 0.936 518 K CB -0.269 32.257 32.500 0.043 0.000 0.722 518 K HN 0.451 nan 8.250 nan 0.000 0.446 519 A N 1.244 124.080 122.820 0.026 0.000 2.119 519 A HA -0.054 4.268 4.320 0.003 0.000 0.216 519 A C 0.805 178.401 177.584 0.019 0.000 1.152 519 A CA 0.371 52.421 52.037 0.021 0.000 0.708 519 A CB -0.218 18.795 19.000 0.021 0.000 0.805 519 A HN 0.171 nan 8.150 nan 0.000 0.460 520 N N 0.882 119.597 118.700 0.024 0.000 2.555 520 N HA 0.136 4.878 4.740 0.003 0.000 0.244 520 N C 0.997 176.524 175.510 0.027 0.000 1.114 520 N CA 0.733 53.800 53.050 0.029 0.000 0.963 520 N CB 0.517 39.027 38.487 0.039 0.000 1.276 520 N HN 0.270 nan 8.380 nan 0.000 0.510 521 T N -0.170 114.389 114.554 0.008 0.000 3.065 521 T HA 0.152 4.504 4.350 0.003 0.000 0.252 521 T C 1.137 175.840 174.700 0.005 0.000 1.099 521 T CA 0.449 62.553 62.100 0.007 0.000 1.063 521 T CB 0.104 68.969 68.868 -0.005 0.000 0.948 521 T HN 0.344 nan 8.240 nan 0.000 0.506 522 R N 0.494 120.989 120.500 -0.009 0.000 2.577 522 R HA 0.524 4.866 4.340 0.003 0.000 0.344 522 R C 0.450 176.809 176.300 0.098 0.000 1.037 522 R CA -0.216 55.880 56.100 -0.007 0.000 1.102 522 R CB 1.237 31.425 30.300 -0.187 0.000 1.313 522 R HN 0.476 nan 8.270 nan 0.000 0.561 523 G N 1.109 109.973 108.800 0.107 0.000 2.523 523 G HA2 0.241 4.203 3.960 0.003 0.000 0.291 523 G HA3 0.241 4.203 3.960 0.003 0.000 0.291 523 G C -3.199 171.765 174.900 0.107 0.000 1.450 523 G CA -0.953 44.227 45.100 0.133 0.000 0.790 523 G HN -0.270 nan 8.290 nan 0.000 0.496 524 P HA 0.351 nan 4.420 nan 0.000 0.274 524 P C -0.493 176.850 177.300 0.072 0.000 1.231 524 P CA 0.115 63.273 63.100 0.096 0.000 0.790 524 P CB 1.189 32.960 31.700 0.119 0.000 0.951 525 T N 2.704 117.275 114.554 0.029 0.000 2.815 525 T HA 0.403 4.755 4.350 0.003 0.000 0.289 525 T C -0.148 174.512 174.700 -0.067 0.000 1.000 525 T CA -0.436 61.656 62.100 -0.014 0.000 0.958 525 T CB 0.553 69.395 68.868 -0.044 0.000 0.944 525 T HN 0.286 nan 8.240 nan 0.000 0.442 526 L N 4.917 126.115 121.223 -0.041 0.000 2.264 526 L HA 0.610 4.952 4.340 0.003 0.000 0.289 526 L C -0.952 175.842 176.870 -0.126 0.000 1.044 526 L CA -0.731 54.057 54.840 -0.086 0.000 0.807 526 L CB 0.343 42.388 42.059 -0.022 0.000 1.192 526 L HN 0.643 nan 8.230 nan 0.000 0.425 527 I N 5.134 125.575 120.570 -0.214 0.000 2.330 527 I HA 0.217 4.389 4.170 0.003 0.000 0.286 527 I C 0.089 176.144 176.117 -0.103 0.000 1.025 527 I CA -0.304 60.896 61.300 -0.166 0.000 1.197 527 I CB 1.387 39.236 38.000 -0.251 0.000 1.358 527 I HN 0.602 nan 8.210 nan 0.000 0.467 528 E N 6.343 126.507 120.200 -0.060 0.000 2.029 528 E HA 0.153 4.505 4.350 0.003 0.000 0.276 528 E C -1.007 175.584 176.600 -0.015 0.000 1.163 528 E CA -0.499 55.873 56.400 -0.048 0.000 0.909 528 E CB 0.466 30.183 29.700 0.030 0.000 1.046 528 E HN 0.619 nan 8.360 nan 0.000 0.406 529 C N 5.083 124.375 119.300 -0.013 0.000 2.373 529 C HA 0.211 4.673 4.460 0.003 0.000 0.354 529 C C 0.286 175.271 174.990 -0.009 0.000 1.249 529 C CA -0.640 58.384 59.018 0.010 0.000 1.784 529 C CB -0.112 27.656 27.740 0.048 0.000 2.408 529 C HN 0.686 nan 8.230 nan 0.000 0.542 530 Q N 3.221 123.021 119.800 0.000 0.000 2.322 530 Q HA 0.658 5.000 4.340 0.003 0.000 0.256 530 Q C -0.172 175.827 176.000 -0.002 0.000 0.960 530 Q CA 0.142 55.947 55.803 0.004 0.000 0.934 530 Q CB 0.908 29.657 28.738 0.018 0.000 1.200 530 Q HN 0.833 nan 8.270 nan 0.000 0.435 531 I N -2.016 118.551 120.570 -0.005 0.000 3.002 531 I HA 0.583 4.755 4.170 0.003 0.000 0.310 531 I C -0.554 175.563 176.117 -0.000 0.000 1.087 531 I CA -1.363 59.934 61.300 -0.005 0.000 1.017 531 I CB 1.965 39.959 38.000 -0.010 0.000 1.226 531 I HN 0.262 nan 8.210 nan 0.000 0.443 532 D N 1.576 121.976 120.400 0.001 0.000 2.372 532 D HA 0.110 4.752 4.640 0.003 0.000 0.243 532 D C 1.244 177.546 176.300 0.004 0.000 1.121 532 D CA -0.042 53.961 54.000 0.005 0.000 0.898 532 D CB 1.262 42.064 40.800 0.004 0.000 1.202 532 D HN 0.666 nan 8.370 nan 0.000 0.428 533 R N 1.672 122.179 120.500 0.013 0.000 2.200 533 R HA -0.135 4.207 4.340 0.003 0.000 0.234 533 R C 1.346 177.650 176.300 0.005 0.000 1.127 533 R CA 1.498 57.606 56.100 0.013 0.000 0.989 533 R CB -0.152 30.172 30.300 0.041 0.000 0.869 533 R HN 0.428 nan 8.270 nan 0.000 0.459 534 T N -0.274 114.283 114.554 0.004 0.000 3.088 534 T HA -0.060 4.292 4.350 0.003 0.000 0.259 534 T C -0.098 174.595 174.700 -0.012 0.000 1.122 534 T CA 0.686 62.785 62.100 -0.002 0.000 1.095 534 T CB -0.052 68.815 68.868 -0.001 0.000 0.930 534 T HN 0.215 nan 8.240 nan 0.000 0.508 535 D N 1.907 122.301 120.400 -0.011 0.000 2.943 535 D HA 0.184 4.826 4.640 0.003 0.000 0.249 535 D C 0.192 176.481 176.300 -0.019 0.000 1.231 535 D CA -0.551 53.441 54.000 -0.013 0.000 0.979 535 D CB -0.831 39.964 40.800 -0.008 0.000 1.053 535 D HN 0.421 nan 8.370 nan 0.000 0.504 536 C N -0.076 119.206 119.300 -0.030 0.000 2.423 536 C HA 0.874 5.336 4.460 0.003 0.000 0.378 536 C C 0.898 175.854 174.990 -0.057 0.000 1.244 536 C CA -0.757 58.236 59.018 -0.042 0.000 1.978 536 C CB 0.517 28.222 27.740 -0.059 0.000 2.252 536 C HN 0.470 nan 8.230 nan 0.000 0.526 537 T N -0.638 113.872 114.554 -0.074 0.000 2.930 537 T HA 0.156 4.507 4.350 0.003 0.000 0.306 537 T C 0.556 175.175 174.700 -0.135 0.000 1.045 537 T CA 0.183 62.234 62.100 -0.082 0.000 1.134 537 T CB 0.428 69.261 68.868 -0.058 0.000 0.961 537 T HN 0.707 nan 8.240 nan 0.000 0.545 538 D N 1.342 121.685 120.400 -0.094 0.000 2.149 538 D HA -0.124 4.518 4.640 0.003 0.000 0.198 538 D C 1.879 178.088 176.300 -0.153 0.000 0.990 538 D CA 1.090 55.030 54.000 -0.101 0.000 0.839 538 D CB -0.262 40.502 40.800 -0.059 0.000 0.948 538 D HN 0.671 nan 8.370 nan 0.000 0.460 539 M N 0.179 119.681 119.600 -0.163 0.000 2.082 539 M HA -0.204 4.278 4.480 0.003 0.000 0.258 539 M C 2.195 178.172 176.300 -0.538 0.000 1.069 539 M CA 1.280 56.450 55.300 -0.215 0.000 1.102 539 M CB -0.084 32.490 32.600 -0.043 0.000 1.336 539 M HN 0.072 nan 8.290 nan 0.000 0.404 540 L N -0.278 120.403 121.223 -0.902 0.000 2.012 540 L HA -0.206 4.136 4.340 0.003 0.000 0.210 540 L C 2.073 178.699 176.870 -0.406 0.000 1.073 540 L CA 1.320 55.465 54.840 -1.159 0.000 0.748 540 L CB -0.298 41.232 42.059 -0.883 0.000 0.891 540 L HN 0.147 nan 8.230 nan 0.000 0.431 541 V N -0.177 119.578 119.914 -0.266 0.000 2.261 541 V HA -0.334 3.788 4.120 0.003 0.000 0.246 541 V C 2.524 178.545 176.094 -0.122 0.000 1.047 541 V CA 2.178 64.390 62.300 -0.146 0.000 1.015 541 V CB -0.744 31.012 31.823 -0.111 0.000 0.642 541 V HN 0.543 nan 8.190 nan 0.000 0.446 542 Q N -1.494 118.230 119.800 -0.127 0.000 2.002 542 Q HA -0.301 4.041 4.340 0.003 0.000 0.204 542 Q C 2.094 178.032 176.000 -0.104 0.000 0.988 542 Q CA 2.592 58.333 55.803 -0.103 0.000 0.843 542 Q CB -0.317 28.366 28.738 -0.093 0.000 0.908 542 Q HN 0.806 nan 8.270 nan 0.000 0.420 543 W N 0.596 121.702 121.300 -0.324 0.000 2.335 543 W HA -0.171 4.491 4.660 0.003 0.000 0.311 543 W C 2.053 178.427 176.519 -0.242 0.000 1.213 543 W CA 2.056 59.195 57.345 -0.344 0.000 1.274 543 W CB -0.794 28.405 29.460 -0.435 0.000 1.148 543 W HN 0.147 nan 8.180 nan 0.000 0.498 544 G N 0.364 109.090 108.800 -0.124 0.000 2.446 544 G HA2 -0.292 3.670 3.960 0.003 0.000 0.217 544 G HA3 -0.292 3.670 3.960 0.003 0.000 0.217 544 G C 1.587 176.298 174.900 -0.315 0.000 1.168 544 G CA 1.155 46.074 45.100 -0.302 0.000 0.771 544 G HN 0.293 nan 8.290 nan 0.000 0.551 545 R N -0.159 120.222 120.500 -0.199 0.000 2.091 545 R HA -0.046 4.296 4.340 0.003 0.000 0.238 545 R C 2.584 178.775 176.300 -0.182 0.000 1.136 545 R CA 1.276 57.286 56.100 -0.149 0.000 0.959 545 R CB -0.172 30.066 30.300 -0.103 0.000 0.856 545 R HN 0.126 nan 8.270 nan 0.000 0.437 546 K N 0.598 120.853 120.400 -0.242 0.000 2.031 546 K HA -0.053 4.269 4.320 0.003 0.000 0.205 546 K C 2.041 178.470 176.600 -0.285 0.000 1.049 546 K CA 1.004 57.154 56.287 -0.227 0.000 0.939 546 K CB -0.241 32.124 32.500 -0.225 0.000 0.717 546 K HN 0.021 nan 8.250 nan 0.000 0.438 547 V N 1.466 121.086 119.914 -0.490 0.000 2.295 547 V HA -0.248 3.874 4.120 0.003 0.000 0.246 547 V C 2.506 178.428 176.094 -0.287 0.000 1.049 547 V CA 2.020 64.019 62.300 -0.502 0.000 1.024 547 V CB -0.766 30.479 31.823 -0.963 0.000 0.648 547 V HN 0.343 nan 8.190 nan 0.000 0.447 548 A N 0.619 123.280 122.820 -0.265 0.000 1.902 548 A HA -0.214 4.108 4.320 0.003 0.000 0.217 548 A C 2.537 180.068 177.584 -0.087 0.000 1.181 548 A CA 2.334 54.286 52.037 -0.142 0.000 0.623 548 A CB -0.751 18.189 19.000 -0.100 0.000 0.818 548 A HN 0.694 nan 8.150 nan 0.000 0.443 549 S N -1.348 114.301 115.700 -0.084 0.000 2.428 549 S HA -0.098 4.373 4.470 0.003 0.000 0.230 549 S C 1.759 176.344 174.600 -0.025 0.000 1.014 549 S CA 1.729 59.904 58.200 -0.042 0.000 0.957 549 S CB -0.859 62.319 63.200 -0.037 0.000 0.784 549 S HN 0.459 nan 8.310 nan 0.000 0.499 550 T N 2.813 117.344 114.554 -0.039 0.000 2.812 550 T HA 0.060 4.412 4.350 0.003 0.000 0.264 550 T C 1.618 176.341 174.700 0.039 0.000 1.042 550 T CA 1.222 63.332 62.100 0.016 0.000 1.140 550 T CB -0.467 68.405 68.868 0.007 0.000 0.870 550 T HN 0.416 nan 8.240 nan 0.000 0.445 551 N N 1.529 120.228 118.700 -0.003 0.000 2.453 551 N HA 0.065 4.807 4.740 0.003 0.000 0.183 551 N C 1.506 177.014 175.510 -0.003 0.000 1.041 551 N CA 0.716 53.771 53.050 0.007 0.000 0.900 551 N CB -0.191 38.285 38.487 -0.019 0.000 0.961 551 N HN 0.418 nan 8.380 nan 0.000 0.443 552 A N 0.514 123.327 122.820 -0.011 0.000 2.308 552 A HA 0.044 4.366 4.320 0.003 0.000 0.217 552 A C 0.926 178.514 177.584 0.007 0.000 1.216 552 A CA -0.416 51.614 52.037 -0.012 0.000 0.864 552 A CB -0.113 18.876 19.000 -0.018 0.000 0.902 552 A HN 0.212 nan 8.150 nan 0.000 0.499 553 R N 0.021 120.533 120.500 0.020 0.000 2.566 553 R HA -0.019 4.323 4.340 0.003 0.000 0.273 553 R C 0.141 176.454 176.300 0.022 0.000 0.981 553 R CA 0.647 56.764 56.100 0.028 0.000 1.091 553 R CB 0.348 30.678 30.300 0.050 0.000 0.924 553 R HN 0.011 nan 8.270 nan 0.000 0.411 554 K N 1.477 121.888 120.400 0.018 0.000 2.323 554 K HA 0.132 4.453 4.320 0.003 0.000 0.197 554 K C -0.021 176.587 176.600 0.013 0.000 1.043 554 K CA 0.936 57.231 56.287 0.014 0.000 0.997 554 K CB 0.644 33.150 32.500 0.012 0.000 0.807 554 K HN 0.656 nan 8.250 nan 0.000 0.497 555 T N 0.000 114.563 114.554 0.015 0.000 3.816 555 T HA 0.000 4.352 4.350 0.003 0.000 0.228 555 T CA 0.000 62.107 62.100 0.011 0.000 1.349 555 T CB 0.000 68.874 68.868 0.009 0.000 0.612 555 T HN 0.000 nan 8.240 nan 0.000 0.658