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 1on9_1_E DATA FIRST_RESID 6 DATA SEQUENCE NLKLASTMEG RVEQLAEQRQ VIEAGGGERR VEKQHSQGKQ TARERLNNLL DATA SEQUENCE DPHSFDEVGA FRKHRTTLFG MDKAVVPADG VVTGRGTILG RPVHAASQDF DATA SEQUENCE TVMGGSAGET QSTKVVETME QALLTGTPFL FFYDSGGARI QEGIDSLSGY DATA SEQUENCE GKMFFANVKL SGVVPQIAII AGPCAGGASY SPALTDFIIM TKKAHMFITG DATA SEQUENCE PQVIKSVTGE DVTADELGGA EAHMAISGNI HFVAEDDDAA ELIAKKLLSF DATA SEQUENCE LPQNNTEEAS FVNPNNDVSP NTELRDIVPI DGKKGYDVRD VIAKIVDWGD DATA SEQUENCE YLEVKAGYAT NLVTAFARVN GRSVGIVANQ PSVMSGCLDI NASDKAAEFV DATA SEQUENCE NFCDSFNIPL VQLVDVPGFL PGVQQEYGGI IRHGAKMLYA YSEATVPKIT DATA SEQUENCE VVLRKAYGGS YLAMCNRDLG ADAVYAWPSA EIAVMGAEGA ANVIFRKEIK DATA SEQUENCE AADDPDAMRA EKIEEYQNAF NTPYVAAARG QVDDVIDPAD TRRKIASALE DATA SEQUENCE MYATKRQTRP AKKHGNFPC 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.503 175.510 -0.011 0.000 1.280 6 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 6 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 7 L N 2.916 124.132 121.223 -0.011 0.000 2.534 7 L HA 0.191 4.531 4.340 -0.001 0.000 0.271 7 L C 0.224 177.082 176.870 -0.020 0.000 1.178 7 L CA 0.516 55.349 54.840 -0.012 0.000 0.907 7 L CB 0.147 42.198 42.059 -0.013 0.000 1.164 7 L HN 0.404 nan 8.230 nan 0.000 0.482 8 K N 5.422 125.813 120.400 -0.016 0.000 2.234 8 K HA 0.390 4.710 4.320 -0.001 0.000 0.282 8 K C -0.710 175.877 176.600 -0.022 0.000 1.039 8 K CA -0.343 55.933 56.287 -0.018 0.000 0.928 8 K CB 0.745 33.238 32.500 -0.012 0.000 1.039 8 K HN 0.616 nan 8.250 nan 0.000 0.470 9 L N 3.779 124.985 121.223 -0.027 0.000 2.426 9 L HA 0.307 4.647 4.340 -0.001 0.000 0.271 9 L C 0.639 177.495 176.870 -0.022 0.000 1.169 9 L CA -0.633 54.188 54.840 -0.031 0.000 0.836 9 L CB 1.007 43.044 42.059 -0.037 0.000 1.112 9 L HN 0.848 nan 8.230 nan 0.000 0.465 10 A N 1.802 124.610 122.820 -0.020 0.000 2.492 10 A HA 0.125 4.445 4.320 -0.001 0.000 0.236 10 A C 1.231 178.806 177.584 -0.015 0.000 1.078 10 A CA 0.383 52.411 52.037 -0.014 0.000 0.773 10 A CB 0.268 19.260 19.000 -0.012 0.000 1.023 10 A HN 0.908 nan 8.150 nan 0.000 0.504 11 S N -0.239 115.454 115.700 -0.011 0.000 2.470 11 S HA 0.062 4.532 4.470 -0.001 0.000 0.225 11 S C 0.819 175.413 174.600 -0.011 0.000 1.006 11 S CA 1.003 59.196 58.200 -0.011 0.000 0.934 11 S CB -0.669 62.526 63.200 -0.009 0.000 0.778 11 S HN 1.456 nan 8.310 nan 0.000 0.517 12 T N -2.046 112.502 114.554 -0.010 0.000 2.932 12 T HA 0.612 4.962 4.350 -0.001 0.000 0.289 12 T C 0.626 175.319 174.700 -0.011 0.000 1.039 12 T CA -0.735 61.359 62.100 -0.010 0.000 1.024 12 T CB 1.471 70.335 68.868 -0.007 0.000 1.090 12 T HN -0.008 nan 8.240 nan 0.000 0.496 13 M N 0.779 120.372 119.600 -0.011 0.000 2.159 13 M HA 0.031 4.510 4.480 -0.001 0.000 0.263 13 M C 2.016 178.310 176.300 -0.010 0.000 1.063 13 M CA 1.817 57.109 55.300 -0.013 0.000 1.110 13 M CB -0.978 31.615 32.600 -0.012 0.000 1.374 13 M HN 0.862 nan 8.290 nan 0.000 0.411 14 E N -0.470 119.726 120.200 -0.007 0.000 2.110 14 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 14 E C 1.967 178.565 176.600 -0.003 0.000 0.988 14 E CA 1.809 58.207 56.400 -0.004 0.000 0.804 14 E CB -0.959 28.740 29.700 -0.002 0.000 0.745 14 E HN 0.558 nan 8.360 nan 0.000 0.458 15 G N 0.222 109.019 108.800 -0.005 0.000 2.418 15 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 15 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 15 G C 1.687 176.583 174.900 -0.007 0.000 1.158 15 G CA 0.735 45.833 45.100 -0.004 0.000 0.771 15 G HN 0.213 nan 8.290 nan 0.000 0.545 16 R N -0.362 120.131 120.500 -0.012 0.000 2.092 16 R HA 0.018 4.357 4.340 -0.001 0.000 0.231 16 R C 2.611 178.900 176.300 -0.017 0.000 1.119 16 R CA 0.914 57.002 56.100 -0.020 0.000 0.970 16 R CB -0.346 29.937 30.300 -0.028 0.000 0.864 16 R HN 0.298 nan 8.270 nan 0.000 0.440 17 V N 1.061 120.969 119.914 -0.009 0.000 2.453 17 V HA -0.195 3.925 4.120 -0.001 0.000 0.247 17 V C 1.892 177.992 176.094 0.010 0.000 1.048 17 V CA 1.713 64.012 62.300 -0.001 0.000 1.049 17 V CB -0.312 31.511 31.823 0.001 0.000 0.672 17 V HN 0.332 nan 8.190 nan 0.000 0.457 18 E N -0.239 119.967 120.200 0.009 0.000 2.072 18 E HA -0.274 4.075 4.350 -0.001 0.000 0.191 18 E C 2.268 178.881 176.600 0.021 0.000 0.985 18 E CA 1.277 57.686 56.400 0.016 0.000 0.801 18 E CB -0.142 29.565 29.700 0.011 0.000 0.750 18 E HN 0.635 nan 8.360 nan 0.000 0.452 19 Q N 0.815 120.622 119.800 0.012 0.000 2.096 19 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 19 Q C 2.302 178.319 176.000 0.029 0.000 0.982 19 Q CA 1.184 56.995 55.803 0.014 0.000 0.850 19 Q CB -0.074 28.662 28.738 -0.003 0.000 0.901 19 Q HN 0.221 nan 8.270 nan 0.000 0.422 20 L N 0.669 121.902 121.223 0.017 0.000 2.017 20 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 20 L C 2.256 179.199 176.870 0.122 0.000 1.073 20 L CA 2.344 57.207 54.840 0.038 0.000 0.745 20 L CB -0.986 41.075 42.059 0.004 0.000 0.894 20 L HN 0.264 nan 8.230 nan 0.000 0.432 21 A N -0.721 122.149 122.820 0.084 0.000 1.908 21 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 21 A C 2.130 179.767 177.584 0.088 0.000 1.181 21 A CA 1.896 53.984 52.037 0.085 0.000 0.627 21 A CB -0.704 18.328 19.000 0.054 0.000 0.818 21 A HN 0.638 nan 8.150 nan 0.000 0.445 22 E N -0.538 119.706 120.200 0.073 0.000 2.038 22 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 22 E C 2.329 178.986 176.600 0.095 0.000 1.000 22 E CA 1.353 57.792 56.400 0.066 0.000 0.803 22 E CB -0.204 29.526 29.700 0.050 0.000 0.750 22 E HN 0.532 nan 8.360 nan 0.000 0.448 23 Q N 0.388 120.274 119.800 0.144 0.000 2.096 23 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 23 Q C 2.150 178.297 176.000 0.245 0.000 0.982 23 Q CA 1.231 57.175 55.803 0.235 0.000 0.850 23 Q CB -0.369 28.561 28.738 0.321 0.000 0.901 23 Q HN 0.233 nan 8.270 nan 0.000 0.422 24 R N 0.608 121.264 120.500 0.261 0.000 2.075 24 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 24 R C 2.242 178.523 176.300 -0.031 0.000 1.126 24 R CA 1.351 57.469 56.100 0.029 0.000 0.963 24 R CB -0.041 30.327 30.300 0.114 0.000 0.858 24 R HN 0.308 nan 8.270 nan 0.000 0.435 25 Q N 0.164 119.979 119.800 0.026 0.000 2.124 25 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 25 Q C 1.927 177.925 176.000 -0.005 0.000 0.977 25 Q CA 1.659 57.467 55.803 0.009 0.000 0.850 25 Q CB 0.161 28.914 28.738 0.024 0.000 0.901 25 Q HN 0.259 nan 8.270 nan 0.000 0.429 26 V N 1.142 121.062 119.914 0.009 0.000 2.295 26 V HA -0.279 3.840 4.120 -0.001 0.000 0.246 26 V C 2.399 178.476 176.094 -0.029 0.000 1.049 26 V CA 1.265 63.568 62.300 0.004 0.000 1.024 26 V CB -0.487 31.355 31.823 0.031 0.000 0.648 26 V HN 0.413 nan 8.190 nan 0.000 0.447 27 I N 0.333 120.859 120.570 -0.075 0.000 2.163 27 I HA -0.237 3.932 4.170 -0.001 0.000 0.243 27 I C 2.506 178.562 176.117 -0.101 0.000 1.085 27 I CA 1.765 62.986 61.300 -0.131 0.000 1.347 27 I CB -1.301 36.506 38.000 -0.323 0.000 1.044 27 I HN 0.483 nan 8.210 nan 0.000 0.408 28 E N 0.797 120.940 120.200 -0.094 0.000 2.333 28 E HA -0.122 4.227 4.350 -0.001 0.000 0.198 28 E C 2.053 178.629 176.600 -0.040 0.000 1.007 28 E CA 0.958 57.322 56.400 -0.059 0.000 0.845 28 E CB -0.101 29.575 29.700 -0.041 0.000 0.766 28 E HN 0.479 nan 8.360 nan 0.000 0.507 29 A N 1.158 123.957 122.820 -0.034 0.000 2.206 29 A HA 0.176 4.496 4.320 -0.001 0.000 0.211 29 A C 1.573 179.137 177.584 -0.033 0.000 1.158 29 A CA 0.919 52.941 52.037 -0.026 0.000 0.761 29 A CB -0.644 18.347 19.000 -0.015 0.000 0.801 29 A HN 0.321 nan 8.150 nan 0.000 0.473 30 G N -0.702 108.075 108.800 -0.038 0.000 2.622 30 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.307 30 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.307 30 G C 1.267 176.145 174.900 -0.036 0.000 1.226 30 G CA 0.395 45.471 45.100 -0.039 0.000 0.997 30 G HN 1.352 nan 8.290 nan 0.000 0.551 31 G N 0.634 109.408 108.800 -0.042 0.000 2.848 31 G HA2 0.539 4.498 3.960 -0.001 0.000 0.208 31 G HA3 0.539 4.498 3.960 -0.001 0.000 0.208 31 G C 1.328 176.208 174.900 -0.034 0.000 1.152 31 G CA 1.569 46.642 45.100 -0.045 0.000 0.789 31 G HN 2.555 nan 8.290 nan 0.000 0.531 32 G N -0.625 108.157 108.800 -0.030 0.000 2.619 32 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.686 32 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.686 32 G C 0.336 175.222 174.900 -0.022 0.000 1.256 32 G CA 0.250 45.337 45.100 -0.021 0.000 0.826 32 G HN 0.204 nan 8.290 nan 0.000 0.619 33 E N -0.194 120.000 120.200 -0.011 0.000 2.070 33 E HA -0.247 4.103 4.350 -0.001 0.000 0.197 33 E C 2.422 179.019 176.600 -0.005 0.000 1.004 33 E CA 1.666 58.064 56.400 -0.005 0.000 0.805 33 E CB -0.058 29.645 29.700 0.006 0.000 0.744 33 E HN 0.535 nan 8.360 nan 0.000 0.451 34 R N 0.201 120.700 120.500 -0.003 0.000 2.075 34 R HA -0.105 4.235 4.340 -0.001 0.000 0.232 34 R C 2.432 178.730 176.300 -0.003 0.000 1.126 34 R CA 1.416 57.518 56.100 0.002 0.000 0.963 34 R CB -0.052 30.250 30.300 0.004 0.000 0.858 34 R HN 0.118 nan 8.270 nan 0.000 0.435 35 R N -0.203 120.289 120.500 -0.013 0.000 2.115 35 R HA -0.049 4.290 4.340 -0.001 0.000 0.230 35 R C 2.251 178.530 176.300 -0.035 0.000 1.111 35 R CA 1.186 57.279 56.100 -0.012 0.000 0.976 35 R CB -0.139 30.145 30.300 -0.025 0.000 0.870 35 R HN 0.115 nan 8.270 nan 0.000 0.445 36 V N 1.354 121.222 119.914 -0.077 0.000 2.427 36 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 36 V C 1.947 177.905 176.094 -0.226 0.000 1.051 36 V CA 1.733 63.917 62.300 -0.194 0.000 1.048 36 V CB -0.331 31.389 31.823 -0.171 0.000 0.666 36 V HN 0.341 nan 8.190 nan 0.000 0.456 37 E N -0.089 120.076 120.200 -0.058 0.000 2.110 37 E HA -0.258 4.091 4.350 -0.001 0.000 0.193 37 E C 2.277 178.898 176.600 0.035 0.000 0.988 37 E CA 1.249 57.668 56.400 0.032 0.000 0.804 37 E CB -0.145 29.584 29.700 0.047 0.000 0.745 37 E HN 0.508 nan 8.360 nan 0.000 0.458 38 K N 1.067 121.478 120.400 0.018 0.000 2.057 38 K HA -0.265 4.055 4.320 -0.001 0.000 0.207 38 K C 2.281 178.906 176.600 0.041 0.000 1.049 38 K CA 1.534 57.846 56.287 0.042 0.000 0.931 38 K CB 0.037 32.573 32.500 0.059 0.000 0.714 38 K HN -0.070 nan 8.250 nan 0.000 0.440 39 Q N 0.433 120.234 119.800 0.002 0.000 2.030 39 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 39 Q C 1.685 177.696 176.000 0.018 0.000 0.986 39 Q CA 2.164 57.957 55.803 -0.016 0.000 0.843 39 Q CB -0.302 28.381 28.738 -0.092 0.000 0.904 39 Q HN 0.587 nan 8.270 nan 0.000 0.420 40 H N -0.902 118.174 119.070 0.011 0.000 2.353 40 H HA -0.095 4.461 4.556 -0.001 0.000 0.300 40 H C 2.225 177.552 175.328 -0.001 0.000 1.090 40 H CA 1.213 57.259 56.048 -0.003 0.000 1.327 40 H CB 0.037 29.796 29.762 -0.004 0.000 1.383 40 H HN 0.495 nan 8.280 nan 0.000 0.508 41 S N 0.657 116.438 115.700 0.135 0.000 2.423 41 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 41 S C 1.677 176.308 174.600 0.052 0.000 1.014 41 S CA 0.923 59.168 58.200 0.076 0.000 0.965 41 S CB -0.071 63.164 63.200 0.059 0.000 0.785 41 S HN 0.490 nan 8.310 nan 0.000 0.495 42 Q N 0.694 120.523 119.800 0.048 0.000 2.415 42 Q HA 0.285 4.625 4.340 -0.001 0.000 0.206 42 Q C 1.137 177.149 176.000 0.020 0.000 0.946 42 Q CA 0.215 56.032 55.803 0.024 0.000 0.951 42 Q CB -0.110 28.628 28.738 0.000 0.000 1.026 42 Q HN 0.803 nan 8.270 nan 0.000 0.510 43 G N 1.635 110.457 108.800 0.037 0.000 2.147 43 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 43 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 43 G C -0.280 174.637 174.900 0.028 0.000 1.005 43 G CA 0.104 45.220 45.100 0.027 0.000 0.713 43 G HN 0.233 nan 8.290 nan 0.000 0.515 44 K N -0.030 120.398 120.400 0.047 0.000 2.203 44 K HA 0.566 4.885 4.320 -0.001 0.000 0.251 44 K C 0.459 177.116 176.600 0.094 0.000 0.944 44 K CA -0.741 55.566 56.287 0.033 0.000 0.829 44 K CB 1.606 34.096 32.500 -0.016 0.000 1.125 44 K HN 0.331 nan 8.250 nan 0.000 0.430 45 Q N 0.609 120.436 119.800 0.044 0.000 2.249 45 Q HA 0.176 4.516 4.340 -0.001 0.000 0.226 45 Q C 0.200 176.187 176.000 -0.022 0.000 0.983 45 Q CA -0.552 55.289 55.803 0.062 0.000 0.930 45 Q CB 0.980 29.695 28.738 -0.037 0.000 1.193 45 Q HN 0.691 nan 8.270 nan 0.000 0.508 46 T N -2.540 111.990 114.554 -0.041 0.000 2.816 46 T HA 0.379 4.729 4.350 -0.001 0.000 0.282 46 T C 1.107 175.720 174.700 -0.145 0.000 0.993 46 T CA -0.212 61.827 62.100 -0.103 0.000 0.994 46 T CB 0.912 69.713 68.868 -0.111 0.000 1.025 46 T HN 0.647 nan 8.240 nan 0.000 0.529 47 A N 0.962 123.709 122.820 -0.122 0.000 1.917 47 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 47 A C 2.562 179.998 177.584 -0.248 0.000 1.182 47 A CA 1.575 53.513 52.037 -0.164 0.000 0.633 47 A CB -0.786 18.172 19.000 -0.071 0.000 0.819 47 A HN 0.898 nan 8.150 nan 0.000 0.448 48 R N -0.730 119.660 120.500 -0.184 0.000 2.115 48 R HA -0.043 4.296 4.340 -0.001 0.000 0.226 48 R C 2.102 178.268 176.300 -0.223 0.000 1.100 48 R CA 1.288 57.266 56.100 -0.203 0.000 0.980 48 R CB -0.229 30.004 30.300 -0.111 0.000 0.875 48 R HN 0.678 nan 8.270 nan 0.000 0.445 49 E N 0.365 120.459 120.200 -0.177 0.000 2.106 49 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 49 E C 2.036 178.484 176.600 -0.252 0.000 0.984 49 E CA 0.939 57.246 56.400 -0.156 0.000 0.806 49 E CB 0.058 29.718 29.700 -0.066 0.000 0.750 49 E HN 0.227 nan 8.360 nan 0.000 0.458 50 R N 0.422 120.684 120.500 -0.397 0.000 2.083 50 R HA -0.118 4.222 4.340 -0.001 0.000 0.237 50 R C 2.419 178.352 176.300 -0.612 0.000 1.137 50 R CA 1.097 56.786 56.100 -0.684 0.000 0.951 50 R CB -0.281 29.224 30.300 -1.324 0.000 0.851 50 R HN 0.166 nan 8.270 nan 0.000 0.434 51 L N 0.287 121.180 121.223 -0.549 0.000 2.056 51 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 51 L C 2.147 178.832 176.870 -0.309 0.000 1.078 51 L CA 1.142 55.726 54.840 -0.426 0.000 0.749 51 L CB -0.423 41.214 42.059 -0.704 0.000 0.901 51 L HN 0.232 nan 8.230 nan 0.000 0.433 52 N N 0.114 118.646 118.700 -0.279 0.000 2.223 52 N HA -0.173 4.566 4.740 -0.001 0.000 0.185 52 N C 1.587 177.019 175.510 -0.131 0.000 1.016 52 N CA 1.181 54.123 53.050 -0.181 0.000 0.863 52 N CB 0.040 38.435 38.487 -0.154 0.000 0.983 52 N HN 0.214 nan 8.380 nan 0.000 0.429 53 N N -0.053 118.568 118.700 -0.131 0.000 2.250 53 N HA -0.066 4.674 4.740 -0.001 0.000 0.181 53 N C 1.522 177.006 175.510 -0.044 0.000 1.017 53 N CA 0.362 53.363 53.050 -0.083 0.000 0.866 53 N CB -0.314 38.125 38.487 -0.080 0.000 0.985 53 N HN 0.265 nan 8.380 nan 0.000 0.429 54 L N 0.983 122.192 121.223 -0.023 0.000 2.023 54 L HA 0.104 4.444 4.340 -0.001 0.000 0.205 54 L C 0.501 177.371 176.870 -0.000 0.000 1.073 54 L CA 1.145 56.008 54.840 0.038 0.000 0.745 54 L CB -0.385 41.776 42.059 0.169 0.000 0.900 54 L HN -0.026 nan 8.230 nan 0.000 0.435 55 L N 0.441 121.652 121.223 -0.020 0.000 2.439 55 L HA 0.193 4.533 4.340 -0.001 0.000 0.261 55 L C -0.004 176.861 176.870 -0.008 0.000 1.153 55 L CA -0.961 53.875 54.840 -0.007 0.000 0.808 55 L CB 0.044 42.110 42.059 0.011 0.000 1.126 55 L HN 0.075 nan 8.230 nan 0.000 0.460 56 D N 1.337 121.742 120.400 0.008 0.000 2.449 56 D HA 0.088 4.728 4.640 -0.001 0.000 0.236 56 D C -2.195 174.117 176.300 0.020 0.000 1.149 56 D CA -0.808 53.200 54.000 0.013 0.000 0.878 56 D CB 0.177 40.991 40.800 0.024 0.000 1.198 56 D HN 0.222 nan 8.370 nan 0.000 0.446 57 P HA -0.051 nan 4.420 nan 0.000 0.262 57 P C -0.342 177.020 177.300 0.103 0.000 1.182 57 P CA 0.629 63.730 63.100 0.002 0.000 0.761 57 P CB 0.129 31.885 31.700 0.094 0.000 0.795 58 H N 0.012 119.103 119.070 0.036 0.000 3.179 58 H HA -0.196 4.360 4.556 -0.000 0.000 0.250 58 H C 1.188 176.546 175.328 0.049 0.000 1.142 58 H CA 1.364 57.438 56.048 0.043 0.000 1.165 58 H CB -2.134 27.641 29.762 0.023 0.000 1.253 58 H HN 0.469 nan 8.280 nan 0.000 0.325 59 S N -1.023 114.755 115.700 0.130 0.000 2.528 59 S HA 0.017 4.487 4.470 -0.001 0.000 0.219 59 S C 0.576 175.254 174.600 0.129 0.000 0.985 59 S CA -0.235 58.028 58.200 0.105 0.000 0.914 59 S CB 0.169 63.414 63.200 0.076 0.000 0.776 59 S HN 0.309 nan 8.310 nan 0.000 0.526 60 F N 3.967 123.907 119.950 -0.017 0.000 2.502 60 F HA 0.378 4.905 4.527 -0.000 0.000 0.371 60 F C -0.053 175.739 175.800 -0.013 0.000 1.083 60 F CA -1.289 56.696 58.000 -0.026 0.000 1.174 60 F CB 0.374 39.352 39.000 -0.037 0.000 1.096 60 F HN 0.045 nan 8.300 nan 0.000 0.545 61 D N 6.181 126.229 120.400 -0.587 0.000 2.472 61 D HA 0.085 4.724 4.640 -0.001 0.000 0.234 61 D C -0.529 175.252 176.300 -0.864 0.000 1.088 61 D CA -0.278 53.400 54.000 -0.536 0.000 0.882 61 D CB 0.459 41.111 40.800 -0.247 0.000 1.037 61 D HN 0.723 nan 8.370 nan 0.000 0.520 62 E N 2.226 121.835 120.200 -0.984 0.000 2.354 62 E HA 0.295 4.645 4.350 -0.001 0.000 0.269 62 E C -0.932 175.511 176.600 -0.261 0.000 1.036 62 E CA -0.512 55.459 56.400 -0.716 0.000 0.876 62 E CB 1.079 30.533 29.700 -0.409 0.000 1.009 62 E HN 0.114 nan 8.360 nan 0.000 0.416 63 V N 3.683 123.523 119.914 -0.123 0.000 2.495 63 V HA 0.477 4.597 4.120 -0.001 0.000 0.298 63 V C 0.745 176.845 176.094 0.009 0.000 1.031 63 V CA 0.277 62.559 62.300 -0.031 0.000 0.871 63 V CB 1.391 33.217 31.823 0.005 0.000 0.988 63 V HN 1.020 nan 8.190 nan 0.000 0.432 64 G N 3.908 112.726 108.800 0.030 0.000 2.147 64 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.244 64 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.244 64 G C 0.972 175.885 174.900 0.020 0.000 1.005 64 G CA 0.539 45.666 45.100 0.045 0.000 0.713 64 G HN 1.372 nan 8.290 nan 0.000 0.515 65 A N -0.478 122.325 122.820 -0.029 0.000 1.908 65 A HA 0.231 4.551 4.320 -0.001 0.000 0.218 65 A C 1.778 179.213 177.584 -0.249 0.000 1.181 65 A CA 1.998 53.927 52.037 -0.179 0.000 0.627 65 A CB -0.349 18.453 19.000 -0.330 0.000 0.818 65 A HN 0.812 nan 8.150 nan 0.000 0.445 66 F N -0.714 119.243 119.950 0.011 0.000 2.732 66 F HA 0.246 4.773 4.527 -0.000 0.000 0.303 66 F C 1.024 176.827 175.800 0.006 0.000 1.110 66 F CA -0.254 57.751 58.000 0.008 0.000 1.355 66 F CB 0.015 39.015 39.000 -0.000 0.000 1.081 66 F HN 0.020 nan 8.300 nan 0.000 0.565 67 R N 2.262 122.842 120.500 0.133 0.000 2.590 67 R HA 0.229 4.568 4.340 -0.001 0.000 0.274 67 R C -0.773 175.573 176.300 0.076 0.000 1.061 67 R CA 0.384 56.536 56.100 0.086 0.000 1.081 67 R CB 0.304 30.638 30.300 0.057 0.000 0.984 67 R HN 0.097 nan 8.270 nan 0.000 0.448 68 K N 2.780 123.211 120.400 0.052 0.000 2.426 68 K HA 0.237 4.557 4.320 -0.001 0.000 0.251 68 K C -0.793 175.809 176.600 0.004 0.000 0.941 68 K CA -1.066 55.245 56.287 0.040 0.000 0.808 68 K CB 1.401 33.882 32.500 -0.032 0.000 1.265 68 K HN 0.802 nan 8.250 nan 0.000 0.432 69 H N 1.208 120.286 119.070 0.012 0.000 2.836 69 H HA 0.132 4.688 4.556 -0.000 0.000 0.368 69 H C -0.135 175.197 175.328 0.006 0.000 1.164 69 H CA 0.298 56.350 56.048 0.006 0.000 1.425 69 H CB 0.893 30.658 29.762 0.005 0.000 1.414 69 H HN 0.598 nan 8.280 nan 0.000 0.614 70 R N 0.337 120.824 120.500 -0.021 0.000 2.404 70 R HA 0.073 4.413 4.340 -0.001 0.000 0.237 70 R C 0.242 176.548 176.300 0.011 0.000 0.907 70 R CA 0.350 56.408 56.100 -0.070 0.000 1.063 70 R CB 0.450 30.733 30.300 -0.030 0.000 1.134 70 R HN 0.793 nan 8.270 nan 0.000 0.529 71 T N -0.866 113.773 114.554 0.142 0.000 2.900 71 T HA 0.085 4.435 4.350 -0.001 0.000 0.307 71 T C 1.229 176.021 174.700 0.154 0.000 1.065 71 T CA 0.148 62.335 62.100 0.144 0.000 1.105 71 T CB 1.553 70.513 68.868 0.154 0.000 0.979 71 T HN 0.178 nan 8.240 nan 0.000 0.544 72 T N -1.370 113.227 114.554 0.072 0.000 2.992 72 T HA 0.279 4.629 4.350 -0.001 0.000 0.255 72 T C 0.724 175.419 174.700 -0.009 0.000 0.938 72 T CA -0.505 61.620 62.100 0.042 0.000 0.895 72 T CB -0.201 68.666 68.868 -0.001 0.000 1.221 72 T HN 0.498 nan 8.240 nan 0.000 0.512 73 L N 1.609 122.802 121.223 -0.050 0.000 2.482 73 L HA 0.305 4.644 4.340 -0.001 0.000 0.273 73 L C 0.144 176.968 176.870 -0.076 0.000 1.228 73 L CA -0.515 54.197 54.840 -0.214 0.000 0.827 73 L CB -0.464 41.414 42.059 -0.302 0.000 1.099 73 L HN 0.216 nan 8.230 nan 0.000 0.494 74 F N 1.501 121.461 119.950 0.017 0.000 2.907 74 F HA -0.219 4.308 4.527 -0.000 0.000 0.244 74 F C 1.369 177.173 175.800 0.007 0.000 1.007 74 F CA 1.007 59.013 58.000 0.011 0.000 0.872 74 F CB -2.179 36.826 39.000 0.009 0.000 0.767 74 F HN 0.799 nan 8.300 nan 0.000 0.837 75 G N -1.711 107.151 108.800 0.102 0.000 2.199 75 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.254 75 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.254 75 G C 0.958 175.897 174.900 0.065 0.000 0.982 75 G CA 0.299 45.444 45.100 0.075 0.000 0.632 75 G HN 0.337 nan 8.290 nan 0.000 0.529 76 M N 1.669 121.315 119.600 0.075 0.000 2.296 76 M HA 0.024 4.504 4.480 -0.001 0.000 0.265 76 M C 2.313 178.745 176.300 0.220 0.000 1.064 76 M CA 1.993 57.348 55.300 0.092 0.000 1.109 76 M CB -1.055 31.606 32.600 0.101 0.000 1.396 76 M HN 0.569 nan 8.290 nan 0.000 0.430 77 D N 1.327 121.800 120.400 0.123 0.000 2.149 77 D HA -0.223 4.417 4.640 -0.001 0.000 0.198 77 D C 1.509 177.864 176.300 0.093 0.000 0.990 77 D CA 1.697 55.752 54.000 0.091 0.000 0.839 77 D CB -0.511 40.307 40.800 0.029 0.000 0.948 77 D HN 0.405 nan 8.370 nan 0.000 0.460 78 K N 0.577 121.026 120.400 0.082 0.000 2.352 78 K HA 0.389 4.708 4.320 -0.001 0.000 0.194 78 K C 0.877 177.526 176.600 0.082 0.000 1.038 78 K CA 0.208 56.535 56.287 0.066 0.000 1.023 78 K CB -0.295 32.229 32.500 0.041 0.000 0.840 78 K HN 0.169 nan 8.250 nan 0.000 0.519 79 A N 1.334 124.212 122.820 0.095 0.000 2.511 79 A HA 0.356 4.676 4.320 -0.001 0.000 0.242 79 A C -0.336 177.322 177.584 0.124 0.000 1.069 79 A CA -0.387 51.684 52.037 0.056 0.000 0.763 79 A CB 0.178 19.149 19.000 -0.047 0.000 1.001 79 A HN 0.102 nan 8.150 nan 0.000 0.498 80 V N 3.953 123.910 119.914 0.071 0.000 2.328 80 V HA 0.359 4.479 4.120 -0.001 0.000 0.278 80 V C -0.336 175.788 176.094 0.049 0.000 1.021 80 V CA -0.260 62.094 62.300 0.091 0.000 0.838 80 V CB 1.236 33.092 31.823 0.056 0.000 0.999 80 V HN 0.604 nan 8.190 nan 0.000 0.447 81 V N 6.835 126.797 119.914 0.080 0.000 2.320 81 V HA 0.300 4.420 4.120 -0.001 0.000 0.268 81 V C -2.485 173.637 176.094 0.047 0.000 1.021 81 V CA -1.991 60.318 62.300 0.015 0.000 0.813 81 V CB 1.154 32.928 31.823 -0.082 0.000 1.054 81 V HN 0.686 nan 8.190 nan 0.000 0.444 82 P HA 0.036 nan 4.420 nan 0.000 0.257 82 P C 0.932 178.228 177.300 -0.006 0.000 1.162 82 P CA 1.240 64.338 63.100 -0.002 0.000 0.762 82 P CB 0.513 32.197 31.700 -0.026 0.000 0.753 83 A N 4.281 127.096 122.820 -0.009 0.000 2.799 83 A HA -0.292 4.028 4.320 -0.001 0.000 0.274 83 A C 1.198 178.797 177.584 0.025 0.000 1.393 83 A CA 1.378 53.413 52.037 -0.003 0.000 0.909 83 A CB -2.586 16.402 19.000 -0.021 0.000 1.012 83 A HN 0.616 nan 8.150 nan 0.000 0.653 84 D N -3.768 116.658 120.400 0.043 0.000 2.811 84 D HA -0.026 4.614 4.640 -0.001 0.000 0.231 84 D C 1.614 177.923 176.300 0.015 0.000 1.157 84 D CA 3.037 57.063 54.000 0.043 0.000 0.716 84 D CB -1.366 39.471 40.800 0.062 0.000 1.077 84 D HN 2.417 nan 8.370 nan 0.000 0.428 85 G N -2.368 106.437 108.800 0.008 0.000 2.143 85 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.249 85 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.249 85 G C 0.220 175.145 174.900 0.041 0.000 0.981 85 G CA 0.415 45.523 45.100 0.012 0.000 0.665 85 G HN 1.217 nan 8.290 nan 0.000 0.528 86 V N -0.010 119.926 119.914 0.037 0.000 2.808 86 V HA 0.673 4.792 4.120 -0.001 0.000 0.308 86 V C -0.455 175.660 176.094 0.035 0.000 1.099 86 V CA -0.635 61.694 62.300 0.047 0.000 0.920 86 V CB 2.335 34.184 31.823 0.044 0.000 1.014 86 V HN 0.552 nan 8.190 nan 0.000 0.425 87 V N 5.847 125.784 119.914 0.039 0.000 2.370 87 V HA 0.690 4.810 4.120 -0.001 0.000 0.279 87 V C 0.251 176.422 176.094 0.128 0.000 1.029 87 V CA -0.034 62.314 62.300 0.081 0.000 0.870 87 V CB 1.557 33.400 31.823 0.033 0.000 0.984 87 V HN 1.044 nan 8.190 nan 0.000 0.451 88 T N 1.447 116.129 114.554 0.214 0.000 2.893 88 T HA 0.964 5.314 4.350 -0.001 0.000 0.291 88 T C -0.086 174.810 174.700 0.325 0.000 1.028 88 T CA -0.124 62.114 62.100 0.231 0.000 0.995 88 T CB 2.267 71.199 68.868 0.107 0.000 1.051 88 T HN 1.233 nan 8.240 nan 0.000 0.470 89 G N 0.804 109.827 108.800 0.372 0.000 2.325 89 G HA2 0.527 4.486 3.960 -0.001 0.000 0.295 89 G HA3 0.527 4.486 3.960 -0.001 0.000 0.295 89 G C -1.830 173.191 174.900 0.202 0.000 1.274 89 G CA -0.959 44.252 45.100 0.185 0.000 0.857 89 G HN 0.895 nan 8.290 nan 0.000 0.499 90 R N -0.458 120.021 120.500 -0.034 0.000 2.637 90 R HA 0.854 5.194 4.340 -0.001 0.000 0.291 90 R C 0.170 176.453 176.300 -0.028 0.000 0.963 90 R CA 0.410 56.381 56.100 -0.214 0.000 0.901 90 R CB 1.525 31.600 30.300 -0.374 0.000 1.160 90 R HN 1.603 nan 8.270 nan 0.000 0.457 91 G N 0.184 108.977 108.800 -0.012 0.000 2.782 91 G HA2 0.556 4.515 3.960 -0.001 0.000 0.304 91 G HA3 0.556 4.515 3.960 -0.001 0.000 0.304 91 G C -1.365 173.542 174.900 0.011 0.000 1.315 91 G CA -0.201 44.941 45.100 0.071 0.000 0.791 91 G HN 0.888 nan 8.290 nan 0.000 0.519 92 T N -2.156 112.415 114.554 0.028 0.000 2.906 92 T HA 0.748 5.098 4.350 -0.001 0.000 0.295 92 T C -0.976 173.729 174.700 0.009 0.000 1.061 92 T CA -0.619 61.488 62.100 0.011 0.000 1.000 92 T CB 1.913 70.788 68.868 0.011 0.000 1.103 92 T HN 0.513 nan 8.240 nan 0.000 0.486 93 I N 2.848 123.416 120.570 -0.003 0.000 2.439 93 I HA 0.332 4.501 4.170 -0.001 0.000 0.285 93 I C -0.558 175.547 176.117 -0.020 0.000 1.021 93 I CA -1.019 60.272 61.300 -0.015 0.000 1.091 93 I CB 1.627 39.611 38.000 -0.027 0.000 1.242 93 I HN 0.650 nan 8.210 nan 0.000 0.439 94 L N 6.842 128.053 121.223 -0.021 0.000 3.678 94 L HA -0.259 4.080 4.340 -0.001 0.000 0.425 94 L C 1.305 178.167 176.870 -0.013 0.000 1.240 94 L CA 1.449 56.276 54.840 -0.023 0.000 0.876 94 L CB -1.741 40.295 42.059 -0.038 0.000 1.766 94 L HN 1.083 nan 8.230 nan 0.000 0.917 95 G N -1.606 107.192 108.800 -0.004 0.000 2.245 95 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.264 95 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.264 95 G C 0.638 175.540 174.900 0.003 0.000 0.985 95 G CA 0.433 45.534 45.100 0.001 0.000 0.625 95 G HN 0.513 nan 8.290 nan 0.000 0.536 96 R N 1.423 121.924 120.500 0.000 0.000 2.267 96 R HA 0.414 4.754 4.340 -0.001 0.000 0.319 96 R C -2.492 173.815 176.300 0.011 0.000 1.067 96 R CA -1.657 54.447 56.100 0.007 0.000 0.936 96 R CB 0.685 30.985 30.300 0.001 0.000 1.006 96 R HN 0.148 nan 8.270 nan 0.000 0.452 97 P HA -0.027 nan 4.420 nan 0.000 0.268 97 P C -0.798 176.519 177.300 0.027 0.000 1.204 97 P CA -0.096 63.010 63.100 0.011 0.000 0.768 97 P CB 0.844 32.562 31.700 0.030 0.000 0.842 98 V N 0.438 120.344 119.914 -0.014 0.000 3.188 98 V HA 0.614 4.734 4.120 -0.001 0.000 0.305 98 V C -1.227 174.826 176.094 -0.068 0.000 1.232 98 V CA -0.862 61.463 62.300 0.042 0.000 1.043 98 V CB 2.139 33.984 31.823 0.037 0.000 1.068 98 V HN 0.432 nan 8.190 nan 0.000 0.439 99 H N 0.733 119.898 119.070 0.159 0.000 2.569 99 H HA 0.974 5.530 4.556 -0.001 0.000 0.357 99 H C 0.073 175.513 175.328 0.186 0.000 1.153 99 H CA 0.531 56.711 56.048 0.220 0.000 1.193 99 H CB 1.990 31.920 29.762 0.281 0.000 1.602 99 H HN 1.317 nan 8.280 nan 0.000 0.523 100 A N 1.159 124.131 122.820 0.254 0.000 2.606 100 A HA 0.851 5.171 4.320 -0.001 0.000 0.293 100 A C -1.484 176.136 177.584 0.059 0.000 1.082 100 A CA -0.195 51.852 52.037 0.016 0.000 0.685 100 A CB 1.330 20.333 19.000 0.004 0.000 1.284 100 A HN 0.812 nan 8.150 nan 0.000 0.408 101 A N -0.028 122.706 122.820 -0.143 0.000 2.435 101 A HA 0.892 5.211 4.320 -0.001 0.000 0.304 101 A C -0.464 177.120 177.584 -0.000 0.000 1.064 101 A CA -0.148 51.760 52.037 -0.214 0.000 0.727 101 A CB 1.643 20.142 19.000 -0.835 0.000 1.284 101 A HN 1.901 nan 8.150 nan 0.000 0.415 102 S N 1.113 116.851 115.700 0.063 0.000 2.775 102 S HA 0.325 4.795 4.470 -0.001 0.000 0.277 102 S C -0.898 173.796 174.600 0.157 0.000 1.156 102 S CA -0.402 57.904 58.200 0.176 0.000 1.081 102 S CB 0.553 63.730 63.200 -0.037 0.000 1.054 102 S HN 0.710 nan 8.310 nan 0.000 0.482 103 Q N 2.294 122.263 119.800 0.282 0.000 2.337 103 Q HA 0.128 4.468 4.340 -0.001 0.000 0.270 103 Q C -0.769 175.319 176.000 0.147 0.000 1.002 103 Q CA 0.116 56.056 55.803 0.228 0.000 0.888 103 Q CB 0.610 29.510 28.738 0.270 0.000 1.222 103 Q HN 0.531 nan 8.270 nan 0.000 0.400 104 D N 2.470 122.936 120.400 0.108 0.000 2.485 104 D HA 0.045 4.685 4.640 -0.001 0.000 0.221 104 D C -0.081 176.277 176.300 0.096 0.000 1.112 104 D CA -0.357 53.688 54.000 0.075 0.000 0.911 104 D CB 0.165 40.977 40.800 0.021 0.000 1.019 104 D HN 0.469 nan 8.370 nan 0.000 0.516 105 F N 2.460 122.414 119.950 0.007 0.000 2.333 105 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 105 F C 2.279 178.076 175.800 -0.006 0.000 1.083 105 F CA 1.698 59.705 58.000 0.011 0.000 1.395 105 F CB 0.008 39.016 39.000 0.012 0.000 1.056 105 F HN 0.371 nan 8.300 nan 0.000 0.529 106 T N -2.434 112.114 114.554 -0.011 0.000 3.118 106 T HA 0.060 4.409 4.350 -0.001 0.000 0.260 106 T C 0.590 175.211 174.700 -0.132 0.000 1.139 106 T CA 0.490 62.540 62.100 -0.083 0.000 1.085 106 T CB -0.772 68.076 68.868 -0.033 0.000 0.934 106 T HN -0.087 nan 8.240 nan 0.000 0.518 107 V N 2.794 122.632 119.914 -0.128 0.000 2.293 107 V HA 0.399 4.519 4.120 -0.001 0.000 0.275 107 V C 0.401 176.406 176.094 -0.148 0.000 1.021 107 V CA -0.712 61.523 62.300 -0.109 0.000 0.815 107 V CB 0.382 32.169 31.823 -0.060 0.000 1.025 107 V HN 0.567 nan 8.190 nan 0.000 0.448 108 M N 3.671 123.173 119.600 -0.164 0.000 2.206 108 M HA -0.226 4.254 4.480 -0.001 0.000 0.197 108 M C 1.236 177.394 176.300 -0.237 0.000 0.375 108 M CA 1.063 56.262 55.300 -0.167 0.000 0.410 108 M CB -1.162 31.365 32.600 -0.121 0.000 1.204 108 M HN 1.150 nan 8.290 nan 0.000 0.932 109 G N -0.551 107.977 108.800 -0.453 0.000 2.258 109 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.274 109 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.274 109 G C 0.961 175.605 174.900 -0.425 0.000 1.021 109 G CA 0.917 45.522 45.100 -0.825 0.000 0.798 109 G HN 1.881 nan 8.290 nan 0.000 0.507 110 G N -1.231 107.441 108.800 -0.212 0.000 2.212 110 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.267 110 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.267 110 G C 0.945 175.889 174.900 0.074 0.000 1.002 110 G CA 1.450 46.571 45.100 0.035 0.000 0.729 110 G HN 2.457 nan 8.290 nan 0.000 0.517 111 S N -0.620 115.088 115.700 0.014 0.000 2.558 111 S HA 0.462 4.931 4.470 -0.001 0.000 0.291 111 S C 0.885 175.506 174.600 0.035 0.000 1.306 111 S CA 0.355 58.584 58.200 0.049 0.000 1.056 111 S CB 1.663 64.868 63.200 0.009 0.000 0.836 111 S HN 1.899 nan 8.310 nan 0.000 0.504 112 A N 3.705 126.545 122.820 0.033 0.000 2.899 112 A HA 0.522 4.841 4.320 -0.001 0.000 0.287 112 A C 1.060 178.554 177.584 -0.150 0.000 1.715 112 A CA -0.193 51.782 52.037 -0.103 0.000 1.393 112 A CB -1.303 17.460 19.000 -0.394 0.000 1.070 112 A HN 1.238 nan 8.150 nan 0.000 0.587 113 G N 0.464 109.218 108.800 -0.076 0.000 2.594 113 G HA2 0.238 4.198 3.960 -0.001 0.000 0.243 113 G HA3 0.238 4.198 3.960 -0.001 0.000 0.243 113 G C 0.750 175.603 174.900 -0.078 0.000 1.229 113 G CA 0.238 45.301 45.100 -0.062 0.000 0.843 113 G HN 0.801 nan 8.290 nan 0.000 0.578 114 E N 0.148 120.320 120.200 -0.047 0.000 2.051 114 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 114 E C 2.255 178.839 176.600 -0.026 0.000 0.991 114 E CA 1.735 58.108 56.400 -0.046 0.000 0.799 114 E CB -0.133 29.562 29.700 -0.008 0.000 0.748 114 E HN 0.487 nan 8.360 nan 0.000 0.449 115 T N 0.852 115.413 114.554 0.011 0.000 2.821 115 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 115 T C 1.788 176.492 174.700 0.007 0.000 1.046 115 T CA 1.301 63.413 62.100 0.020 0.000 1.139 115 T CB -0.189 68.713 68.868 0.057 0.000 0.871 115 T HN 0.281 nan 8.240 nan 0.000 0.454 116 Q N 0.753 120.555 119.800 0.003 0.000 2.061 116 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 116 Q C 2.407 178.402 176.000 -0.009 0.000 0.984 116 Q CA 1.739 57.544 55.803 0.004 0.000 0.846 116 Q CB -0.190 28.552 28.738 0.007 0.000 0.902 116 Q HN 0.399 nan 8.270 nan 0.000 0.421 117 S N -0.172 115.505 115.700 -0.038 0.000 2.382 117 S HA -0.114 4.356 4.470 -0.001 0.000 0.228 117 S C 1.906 176.488 174.600 -0.030 0.000 1.027 117 S CA 1.503 59.679 58.200 -0.040 0.000 0.991 117 S CB -0.313 62.816 63.200 -0.118 0.000 0.823 117 S HN 0.489 nan 8.310 nan 0.000 0.469 118 T N 2.141 116.677 114.554 -0.031 0.000 2.746 118 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 118 T C 1.780 176.465 174.700 -0.025 0.000 1.039 118 T CA 1.104 63.189 62.100 -0.025 0.000 1.142 118 T CB -0.161 68.697 68.868 -0.018 0.000 0.866 118 T HN 0.388 nan 8.240 nan 0.000 0.444 119 K N 0.460 120.849 120.400 -0.019 0.000 2.057 119 K HA -0.053 4.267 4.320 -0.001 0.000 0.207 119 K C 2.320 178.894 176.600 -0.042 0.000 1.049 119 K CA 0.965 57.242 56.287 -0.017 0.000 0.931 119 K CB -0.410 32.088 32.500 -0.003 0.000 0.714 119 K HN 0.137 nan 8.250 nan 0.000 0.440 120 V N 0.892 120.766 119.914 -0.067 0.000 2.295 120 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 120 V C 2.246 178.252 176.094 -0.147 0.000 1.049 120 V CA 1.513 63.733 62.300 -0.133 0.000 1.024 120 V CB -0.275 31.460 31.823 -0.147 0.000 0.648 120 V HN 0.096 nan 8.190 nan 0.000 0.447 121 V N -0.286 119.574 119.914 -0.089 0.000 2.343 121 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 121 V C 2.400 178.429 176.094 -0.108 0.000 1.051 121 V CA 2.154 64.400 62.300 -0.091 0.000 1.036 121 V CB -0.621 31.185 31.823 -0.028 0.000 0.654 121 V HN 0.604 nan 8.190 nan 0.000 0.451 122 E N -0.236 119.919 120.200 -0.075 0.000 2.077 122 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 122 E C 2.298 178.846 176.600 -0.086 0.000 0.989 122 E CA 1.830 58.193 56.400 -0.062 0.000 0.800 122 E CB -0.244 29.438 29.700 -0.030 0.000 0.746 122 E HN 0.593 nan 8.360 nan 0.000 0.452 123 T N 0.721 115.227 114.554 -0.081 0.000 2.788 123 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 123 T C 1.831 176.401 174.700 -0.216 0.000 1.044 123 T CA 1.112 63.186 62.100 -0.045 0.000 1.139 123 T CB -0.102 68.819 68.868 0.088 0.000 0.867 123 T HN 0.135 nan 8.240 nan 0.000 0.454 124 M N 0.687 120.036 119.600 -0.418 0.000 2.175 124 M HA -0.042 4.438 4.480 -0.001 0.000 0.264 124 M C 2.407 178.517 176.300 -0.316 0.000 1.063 124 M CA 1.206 56.137 55.300 -0.615 0.000 1.119 124 M CB -0.244 31.950 32.600 -0.677 0.000 1.377 124 M HN 0.061 nan 8.290 nan 0.000 0.415 125 E N 0.268 120.342 120.200 -0.211 0.000 2.153 125 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 125 E C 2.110 178.611 176.600 -0.164 0.000 0.988 125 E CA 0.981 57.301 56.400 -0.134 0.000 0.811 125 E CB -0.221 29.433 29.700 -0.078 0.000 0.746 125 E HN 0.532 nan 8.360 nan 0.000 0.466 126 Q N 0.146 119.804 119.800 -0.237 0.000 2.123 126 Q HA -0.005 4.334 4.340 -0.001 0.000 0.199 126 Q C 2.149 177.814 176.000 -0.558 0.000 0.966 126 Q CA 1.201 56.801 55.803 -0.339 0.000 0.845 126 Q CB -0.483 28.047 28.738 -0.347 0.000 0.907 126 Q HN 0.238 nan 8.270 nan 0.000 0.439 127 A N 0.914 123.363 122.820 -0.619 0.000 1.902 127 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 127 A C 2.157 179.679 177.584 -0.104 0.000 1.181 127 A CA 1.372 53.207 52.037 -0.337 0.000 0.623 127 A CB -0.655 18.326 19.000 -0.032 0.000 0.818 127 A HN 0.321 nan 8.150 nan 0.000 0.443 128 L N -0.891 120.271 121.223 -0.102 0.000 2.027 128 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 128 L C 2.255 179.110 176.870 -0.025 0.000 1.074 128 L CA 1.942 56.762 54.840 -0.033 0.000 0.745 128 L CB -0.562 41.474 42.059 -0.039 0.000 0.898 128 L HN 0.334 nan 8.230 nan 0.000 0.433 129 L N -0.539 120.651 121.223 -0.054 0.000 2.079 129 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 129 L C 2.287 179.154 176.870 -0.004 0.000 1.081 129 L CA 2.461 57.284 54.840 -0.029 0.000 0.752 129 L CB -0.867 41.167 42.059 -0.041 0.000 0.896 129 L HN 0.643 nan 8.230 nan 0.000 0.433 130 T N -4.171 110.380 114.554 -0.004 0.000 3.069 130 T HA 0.347 4.697 4.350 -0.001 0.000 0.252 130 T C 1.226 175.972 174.700 0.077 0.000 1.053 130 T CA 0.175 62.307 62.100 0.054 0.000 0.964 130 T CB -0.233 68.707 68.868 0.119 0.000 1.005 130 T HN 0.580 nan 8.240 nan 0.000 0.532 131 G N 2.110 110.949 108.800 0.065 0.000 2.272 131 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.280 131 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.280 131 G C 0.091 175.066 174.900 0.125 0.000 1.067 131 G CA 0.416 45.570 45.100 0.091 0.000 0.902 131 G HN 1.219 nan 8.290 nan 0.000 0.500 132 T N -2.683 111.967 114.554 0.159 0.000 2.942 132 T HA 0.797 5.146 4.350 -0.001 0.000 0.289 132 T C -2.680 172.146 174.700 0.211 0.000 1.044 132 T CA -2.091 60.127 62.100 0.197 0.000 1.023 132 T CB 3.410 72.456 68.868 0.298 0.000 1.123 132 T HN -0.013 nan 8.240 nan 0.000 0.512 133 P HA 0.355 nan 4.420 nan 0.000 0.272 133 P C -1.406 176.058 177.300 0.273 0.000 1.240 133 P CA -0.401 62.798 63.100 0.166 0.000 0.791 133 P CB 0.223 31.968 31.700 0.074 0.000 0.978 134 F N 2.038 122.052 119.950 0.107 0.000 2.518 134 F HA 0.559 5.086 4.527 -0.001 0.000 0.323 134 F C -1.677 174.188 175.800 0.108 0.000 1.129 134 F CA -0.787 57.286 58.000 0.123 0.000 0.920 134 F CB 0.836 39.909 39.000 0.121 0.000 1.160 134 F HN -0.004 nan 8.300 nan 0.000 0.440 135 L N 7.028 127.844 121.223 -0.680 0.000 2.362 135 L HA 0.540 4.880 4.340 -0.001 0.000 0.271 135 L C -1.312 175.088 176.870 -0.783 0.000 1.002 135 L CA -0.577 53.921 54.840 -0.571 0.000 0.818 135 L CB 2.069 43.929 42.059 -0.331 0.000 1.298 135 L HN 0.680 nan 8.230 nan 0.000 0.420 136 F N 2.354 121.877 119.950 -0.712 0.000 2.585 136 F HA 0.497 5.024 4.527 -0.000 0.000 0.319 136 F C -1.255 174.293 175.800 -0.420 0.000 1.165 136 F CA -0.773 56.883 58.000 -0.574 0.000 0.949 136 F CB 1.264 39.935 39.000 -0.548 0.000 1.218 136 F HN 0.239 nan 8.300 nan 0.000 0.453 137 F N 5.988 126.043 119.950 0.176 0.000 2.390 137 F HA 0.309 4.836 4.527 -0.000 0.000 0.361 137 F C -0.656 175.089 175.800 -0.092 0.000 1.124 137 F CA -0.405 57.620 58.000 0.041 0.000 1.149 137 F CB 0.465 39.484 39.000 0.032 0.000 1.160 137 F HN 0.301 nan 8.300 nan 0.000 0.501 138 Y N 2.029 122.293 120.300 -0.060 0.000 2.308 138 Y HA 0.394 4.944 4.550 0.000 0.000 0.329 138 Y C 0.072 175.970 175.900 -0.002 0.000 1.111 138 Y CA -0.520 57.477 58.100 -0.172 0.000 1.179 138 Y CB 1.124 39.393 38.460 -0.318 0.000 1.201 138 Y HN 0.401 nan 8.280 nan 0.000 0.483 139 D N 1.749 122.267 120.400 0.198 0.000 2.668 139 D HA 0.121 4.761 4.640 -0.001 0.000 0.234 139 D C -1.528 174.945 176.300 0.289 0.000 1.349 139 D CA -0.097 54.001 54.000 0.163 0.000 0.889 139 D CB 0.683 41.572 40.800 0.148 0.000 1.520 139 D HN 0.368 nan 8.370 nan 0.000 0.521 140 S N 0.684 116.548 115.700 0.274 0.000 2.575 140 S HA 0.592 5.061 4.470 -0.001 0.000 0.278 140 S C 1.051 175.839 174.600 0.314 0.000 1.139 140 S CA -0.076 58.323 58.200 0.331 0.000 0.954 140 S CB 1.318 64.679 63.200 0.269 0.000 1.054 140 S HN 0.279 nan 8.310 nan 0.000 0.483 141 G N 2.126 111.149 108.800 0.372 0.000 2.776 141 G HA2 0.463 4.423 3.960 -0.001 0.000 0.209 141 G HA3 0.463 4.423 3.960 -0.001 0.000 0.209 141 G C 0.932 175.954 174.900 0.202 0.000 1.145 141 G CA 0.456 45.740 45.100 0.307 0.000 0.791 141 G HN 1.579 nan 8.290 nan 0.000 0.530 142 G N -1.289 107.638 108.800 0.210 0.000 2.306 142 G HA2 0.447 4.407 3.960 -0.001 0.000 0.262 142 G HA3 0.447 4.407 3.960 -0.001 0.000 0.262 142 G C -0.027 175.043 174.900 0.283 0.000 1.263 142 G CA -0.269 44.968 45.100 0.229 0.000 1.088 142 G HN 1.153 nan 8.290 nan 0.000 0.489 143 A N -0.206 122.801 122.820 0.312 0.000 2.425 143 A HA 0.650 4.970 4.320 -0.001 0.000 0.242 143 A C 0.887 178.559 177.584 0.146 0.000 1.077 143 A CA 0.792 53.023 52.037 0.323 0.000 0.781 143 A CB 0.294 19.510 19.000 0.359 0.000 1.020 143 A HN 1.047 nan 8.150 nan 0.000 0.494 144 R N 2.606 123.152 120.500 0.076 0.000 2.408 144 R HA 0.314 4.654 4.340 -0.001 0.000 0.308 144 R C 0.386 176.711 176.300 0.042 0.000 1.210 144 R CA -0.253 55.866 56.100 0.031 0.000 1.115 144 R CB -0.375 29.920 30.300 -0.009 0.000 1.127 144 R HN 0.803 nan 8.270 nan 0.000 0.523 145 I N 2.669 123.261 120.570 0.037 0.000 2.248 145 I HA -0.362 3.807 4.170 -0.001 0.000 0.248 145 I C 1.656 177.776 176.117 0.004 0.000 1.107 145 I CA 1.344 62.654 61.300 0.017 0.000 1.373 145 I CB -0.042 37.948 38.000 -0.016 0.000 1.055 145 I HN 0.606 nan 8.210 nan 0.000 0.418 146 Q N 0.711 120.522 119.800 0.017 0.000 2.297 146 Q HA -0.191 4.149 4.340 -0.001 0.000 0.208 146 Q C 1.516 177.630 176.000 0.190 0.000 0.981 146 Q CA 1.218 57.081 55.803 0.100 0.000 0.876 146 Q CB -0.175 28.628 28.738 0.108 0.000 0.921 146 Q HN 0.548 nan 8.270 nan 0.000 0.446 147 E N -0.586 119.679 120.200 0.108 0.000 2.463 147 E HA 0.166 4.516 4.350 -0.001 0.000 0.193 147 E C 0.991 177.654 176.600 0.104 0.000 1.041 147 E CA 0.080 56.542 56.400 0.105 0.000 0.879 147 E CB 0.231 29.963 29.700 0.055 0.000 0.997 147 E HN 0.373 nan 8.360 nan 0.000 0.478 148 G N 2.848 111.713 108.800 0.108 0.000 2.684 148 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.332 148 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.332 148 G C 1.086 176.038 174.900 0.087 0.000 1.306 148 G CA 0.804 45.962 45.100 0.098 0.000 1.002 148 G HN 0.456 nan 8.290 nan 0.000 0.545 149 I N -1.379 119.239 120.570 0.081 0.000 2.850 149 I HA 0.022 4.191 4.170 -0.001 0.000 0.266 149 I C 1.660 177.811 176.117 0.056 0.000 1.257 149 I CA 2.299 63.642 61.300 0.071 0.000 1.465 149 I CB -0.393 37.644 38.000 0.062 0.000 1.091 149 I HN 0.258 nan 8.210 nan 0.000 0.467 150 D N 1.094 121.524 120.400 0.049 0.000 2.149 150 D HA -0.149 4.491 4.640 -0.001 0.000 0.201 150 D C 2.324 178.625 176.300 0.003 0.000 0.972 150 D CA 1.530 55.546 54.000 0.027 0.000 0.835 150 D CB 0.062 40.881 40.800 0.032 0.000 0.966 150 D HN 0.421 nan 8.370 nan 0.000 0.476 151 S N 0.157 115.863 115.700 0.011 0.000 2.371 151 S HA -0.042 4.427 4.470 -0.001 0.000 0.224 151 S C 1.940 176.526 174.600 -0.023 0.000 1.029 151 S CA 0.214 58.386 58.200 -0.047 0.000 0.978 151 S CB -0.218 62.983 63.200 0.000 0.000 0.833 151 S HN 0.184 nan 8.310 nan 0.000 0.466 152 L N 1.033 122.319 121.223 0.105 0.000 2.012 152 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 152 L C 2.607 179.549 176.870 0.121 0.000 1.073 152 L CA 2.119 57.077 54.840 0.197 0.000 0.748 152 L CB -1.034 41.112 42.059 0.146 0.000 0.891 152 L HN 0.434 nan 8.230 nan 0.000 0.431 153 S N -0.396 115.333 115.700 0.048 0.000 2.382 153 S HA -0.134 4.335 4.470 -0.001 0.000 0.228 153 S C 1.898 176.479 174.600 -0.033 0.000 1.027 153 S CA 1.270 59.478 58.200 0.013 0.000 0.991 153 S CB -0.391 62.810 63.200 0.002 0.000 0.823 153 S HN 0.660 nan 8.310 nan 0.000 0.469 154 G N -0.680 108.071 108.800 -0.081 0.000 2.422 154 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 154 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 154 G C 1.172 175.956 174.900 -0.193 0.000 1.146 154 G CA 0.848 45.860 45.100 -0.145 0.000 0.769 154 G HN 0.633 nan 8.290 nan 0.000 0.547 155 Y N 0.893 121.074 120.300 -0.199 0.000 2.145 155 Y HA -0.052 4.498 4.550 0.000 0.000 0.286 155 Y C 3.129 178.534 175.900 -0.825 0.000 1.145 155 Y CA 0.620 58.405 58.100 -0.525 0.000 1.148 155 Y CB -0.287 37.924 38.460 -0.415 0.000 0.981 155 Y HN 0.244 nan 8.280 nan 0.000 0.507 156 G N 0.181 108.859 108.800 -0.203 0.000 2.446 156 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 156 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 156 G C 1.576 176.475 174.900 -0.002 0.000 1.168 156 G CA 1.084 46.146 45.100 -0.062 0.000 0.771 156 G HN 0.307 nan 8.290 nan 0.000 0.551 157 K N -0.557 119.825 120.400 -0.028 0.000 2.057 157 K HA 0.027 4.347 4.320 -0.001 0.000 0.207 157 K C 2.485 179.141 176.600 0.093 0.000 1.049 157 K CA 1.227 57.532 56.287 0.030 0.000 0.931 157 K CB -0.242 32.248 32.500 -0.015 0.000 0.714 157 K HN 0.341 nan 8.250 nan 0.000 0.440 158 M N 0.229 119.834 119.600 0.008 0.000 2.132 158 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 158 M C 1.497 177.964 176.300 0.278 0.000 1.065 158 M CA 1.604 56.971 55.300 0.112 0.000 1.122 158 M CB 0.013 32.692 32.600 0.131 0.000 1.365 158 M HN -0.021 nan 8.290 nan 0.000 0.411 159 F N -0.173 119.930 119.950 0.257 0.000 2.102 159 F HA -0.181 4.346 4.527 0.000 0.000 0.298 159 F C 2.201 178.104 175.800 0.172 0.000 1.105 159 F CA 1.072 59.197 58.000 0.208 0.000 1.239 159 F CB -1.686 37.422 39.000 0.181 0.000 0.991 159 F HN 0.174 nan 8.300 nan 0.000 0.474 160 F N 0.831 120.929 119.950 0.247 0.000 2.161 160 F HA -0.141 4.386 4.527 -0.001 0.000 0.300 160 F C 2.319 178.181 175.800 0.103 0.000 1.089 160 F CA 1.409 59.493 58.000 0.139 0.000 1.282 160 F CB -0.433 38.620 39.000 0.088 0.000 1.010 160 F HN -0.069 nan 8.300 nan 0.000 0.485 161 A N 0.096 123.069 122.820 0.256 0.000 1.930 161 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 161 A C 1.923 179.533 177.584 0.044 0.000 1.175 161 A CA 1.936 54.044 52.037 0.118 0.000 0.627 161 A CB -1.079 17.977 19.000 0.093 0.000 0.815 161 A HN 0.577 nan 8.150 nan 0.000 0.443 162 N N -0.338 118.438 118.700 0.128 0.000 2.166 162 N HA -0.105 4.634 4.740 -0.001 0.000 0.186 162 N C 1.468 177.009 175.510 0.053 0.000 1.019 162 N CA 1.409 54.544 53.050 0.143 0.000 0.856 162 N CB -0.160 38.472 38.487 0.241 0.000 0.993 162 N HN 0.257 nan 8.380 nan 0.000 0.426 163 V N 1.144 121.043 119.914 -0.026 0.000 2.453 163 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 163 V C 2.228 178.218 176.094 -0.172 0.000 1.048 163 V CA 1.355 63.585 62.300 -0.117 0.000 1.049 163 V CB -0.413 31.291 31.823 -0.197 0.000 0.672 163 V HN 0.291 nan 8.190 nan 0.000 0.457 164 K N -0.140 120.109 120.400 -0.251 0.000 2.063 164 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 164 K C 1.959 178.515 176.600 -0.074 0.000 1.048 164 K CA 1.586 57.750 56.287 -0.205 0.000 0.928 164 K CB -0.156 32.239 32.500 -0.175 0.000 0.713 164 K HN 0.287 nan 8.250 nan 0.000 0.442 165 L N 1.096 122.304 121.223 -0.025 0.000 2.395 165 L HA 0.038 4.377 4.340 -0.001 0.000 0.218 165 L C 0.974 177.899 176.870 0.092 0.000 1.130 165 L CA 0.751 55.614 54.840 0.038 0.000 0.826 165 L CB -0.411 41.682 42.059 0.057 0.000 0.941 165 L HN 0.013 nan 8.230 nan 0.000 0.451 166 S N -0.006 115.730 115.700 0.060 0.000 2.546 166 S HA 0.298 4.768 4.470 -0.001 0.000 0.290 166 S C 1.394 176.020 174.600 0.043 0.000 1.262 166 S CA 0.599 58.849 58.200 0.083 0.000 1.083 166 S CB -0.231 62.980 63.200 0.018 0.000 0.859 166 S HN 0.702 nan 8.310 nan 0.000 0.495 167 G N 2.895 111.755 108.800 0.100 0.000 2.179 167 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.260 167 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.260 167 G C 0.560 175.279 174.900 -0.303 0.000 0.977 167 G CA 0.384 45.348 45.100 -0.227 0.000 0.641 167 G HN 0.810 nan 8.290 nan 0.000 0.533 168 V N -0.483 119.454 119.914 0.039 0.000 2.721 168 V HA 0.434 4.554 4.120 -0.001 0.000 0.236 168 V C 1.317 177.609 176.094 0.330 0.000 1.116 168 V CA 1.374 63.717 62.300 0.071 0.000 1.148 168 V CB 0.650 32.506 31.823 0.055 0.000 0.886 168 V HN 1.123 nan 8.190 nan 0.000 0.490 169 V N -2.239 117.916 119.914 0.400 0.000 2.735 169 V HA 0.682 4.802 4.120 -0.001 0.000 0.310 169 V C -3.131 173.152 176.094 0.314 0.000 1.061 169 V CA -2.888 59.635 62.300 0.372 0.000 0.913 169 V CB 1.517 33.473 31.823 0.222 0.000 1.005 169 V HN 0.148 nan 8.190 nan 0.000 0.428 170 P HA 0.286 nan 4.420 nan 0.000 0.268 170 P C -0.965 176.428 177.300 0.156 0.000 1.204 170 P CA 0.270 63.301 63.100 -0.114 0.000 0.768 170 P CB 0.239 31.781 31.700 -0.263 0.000 0.842 171 Q N 2.381 122.322 119.800 0.235 0.000 2.333 171 Q HA 0.559 4.899 4.340 -0.001 0.000 0.268 171 Q C -0.635 175.490 176.000 0.209 0.000 1.007 171 Q CA -0.437 55.537 55.803 0.285 0.000 0.810 171 Q CB 1.793 30.745 28.738 0.356 0.000 1.264 171 Q HN 0.418 nan 8.270 nan 0.000 0.452 172 I N 1.810 122.455 120.570 0.126 0.000 2.406 172 I HA 0.575 4.745 4.170 -0.001 0.000 0.290 172 I C -0.540 175.599 176.117 0.037 0.000 0.999 172 I CA -0.772 60.573 61.300 0.076 0.000 1.124 172 I CB 1.792 39.775 38.000 -0.028 0.000 1.289 172 I HN 0.572 nan 8.210 nan 0.000 0.441 173 A N 7.523 130.400 122.820 0.094 0.000 2.304 173 A HA 0.840 5.160 4.320 -0.001 0.000 0.323 173 A C -0.741 176.854 177.584 0.018 0.000 1.195 173 A CA -0.382 51.745 52.037 0.149 0.000 0.826 173 A CB 0.544 19.622 19.000 0.129 0.000 1.184 173 A HN 0.629 nan 8.150 nan 0.000 0.496 174 I N 3.345 123.890 120.570 -0.042 0.000 2.390 174 I HA 0.287 4.457 4.170 -0.001 0.000 0.283 174 I C -0.516 175.634 176.117 0.056 0.000 1.016 174 I CA 0.152 61.386 61.300 -0.110 0.000 1.151 174 I CB 1.443 39.176 38.000 -0.444 0.000 1.293 174 I HN 0.501 nan 8.210 nan 0.000 0.458 175 I N 5.828 126.409 120.570 0.018 0.000 2.301 175 I HA 0.409 4.578 4.170 -0.001 0.000 0.292 175 I C 0.801 176.928 176.117 0.017 0.000 1.046 175 I CA -0.016 61.285 61.300 0.001 0.000 1.282 175 I CB 1.190 39.103 38.000 -0.145 0.000 1.409 175 I HN 0.720 nan 8.210 nan 0.000 0.484 176 A N 5.097 127.959 122.820 0.070 0.000 2.616 176 A HA 0.743 5.063 4.320 -0.001 0.000 0.294 176 A C 0.461 178.033 177.584 -0.020 0.000 1.091 176 A CA -0.003 52.064 52.037 0.051 0.000 0.971 176 A CB 0.223 19.315 19.000 0.154 0.000 1.222 176 A HN 0.831 nan 8.150 nan 0.000 0.521 177 G N -0.689 108.075 108.800 -0.060 0.000 2.428 177 G HA2 0.513 4.473 3.960 -0.001 0.000 0.305 177 G HA3 0.513 4.473 3.960 -0.001 0.000 0.305 177 G C -3.581 171.245 174.900 -0.124 0.000 1.260 177 G CA -0.736 44.278 45.100 -0.143 0.000 0.853 177 G HN -0.065 nan 8.290 nan 0.000 0.480 178 P HA 0.407 nan 4.420 nan 0.000 0.269 178 P C -0.441 176.825 177.300 -0.056 0.000 1.215 178 P CA -0.084 62.967 63.100 -0.081 0.000 0.780 178 P CB 1.238 32.929 31.700 -0.015 0.000 0.898 179 C N 2.920 122.135 119.300 -0.142 0.000 3.355 179 C HA 0.680 5.139 4.460 -0.001 0.000 0.287 179 C C -0.247 174.611 174.990 -0.220 0.000 1.036 179 C CA -0.133 58.805 59.018 -0.133 0.000 1.246 179 C CB -1.347 26.258 27.740 -0.225 0.000 1.754 179 C HN 0.642 nan 8.230 nan 0.000 0.592 180 A N 2.911 125.668 122.820 -0.106 0.000 2.303 180 A HA 0.895 5.214 4.320 -0.001 0.000 0.317 180 A C 0.965 178.557 177.584 0.012 0.000 1.149 180 A CA 0.934 52.935 52.037 -0.060 0.000 0.822 180 A CB 0.390 19.452 19.000 0.102 0.000 1.131 180 A HN 2.561 nan 8.150 nan 0.000 0.493 181 G N 0.952 109.791 108.800 0.065 0.000 2.569 181 G HA2 0.066 4.026 3.960 -0.001 0.000 0.259 181 G HA3 0.066 4.026 3.960 -0.001 0.000 0.259 181 G C 1.195 176.004 174.900 -0.152 0.000 1.263 181 G CA 0.421 45.522 45.100 0.001 0.000 0.928 181 G HN 1.996 nan 8.290 nan 0.000 0.572 182 G N -0.115 108.598 108.800 -0.145 0.000 2.501 182 G HA2 0.220 4.180 3.960 -0.001 0.000 0.220 182 G HA3 0.220 4.180 3.960 -0.001 0.000 0.220 182 G C 2.078 176.904 174.900 -0.123 0.000 1.114 182 G CA 2.647 47.671 45.100 -0.126 0.000 0.757 182 G HN 1.979 nan 8.290 nan 0.000 0.559 183 A N 0.936 123.621 122.820 -0.224 0.000 1.986 183 A HA -0.054 4.266 4.320 -0.001 0.000 0.220 183 A C 2.649 180.238 177.584 0.010 0.000 1.171 183 A CA 2.150 54.207 52.037 0.034 0.000 0.640 183 A CB -0.575 18.534 19.000 0.181 0.000 0.811 183 A HN 0.316 nan 8.150 nan 0.000 0.451 184 S N -1.346 114.211 115.700 -0.239 0.000 2.419 184 S HA -0.194 4.276 4.470 -0.001 0.000 0.235 184 S C 1.560 175.937 174.600 -0.372 0.000 1.019 184 S CA 1.432 59.402 58.200 -0.384 0.000 0.982 184 S CB -0.626 62.288 63.200 -0.477 0.000 0.789 184 S HN 0.760 nan 8.310 nan 0.000 0.490 185 Y N 0.956 121.108 120.300 -0.248 0.000 2.352 185 Y HA -0.102 4.447 4.550 -0.001 0.000 0.292 185 Y C 2.897 178.599 175.900 -0.329 0.000 1.136 185 Y CA 0.737 58.568 58.100 -0.449 0.000 1.227 185 Y CB -0.217 37.675 38.460 -0.947 0.000 0.991 185 Y HN 0.285 nan 8.280 nan 0.000 0.545 186 S N 0.296 116.088 115.700 0.153 0.000 2.348 186 S HA -0.101 4.369 4.470 -0.001 0.000 0.221 186 S C -0.613 174.055 174.600 0.114 0.000 1.033 186 S CA 1.299 59.717 58.200 0.362 0.000 1.010 186 S CB -1.074 62.524 63.200 0.665 0.000 0.891 186 S HN 0.159 nan 8.310 nan 0.000 0.442 187 P HA -0.013 nan 4.420 nan 0.000 0.216 187 P C 1.419 178.657 177.300 -0.102 0.000 1.150 187 P CA 1.616 64.548 63.100 -0.280 0.000 0.837 187 P CB -0.231 31.116 31.700 -0.588 0.000 0.786 188 A N -0.956 121.802 122.820 -0.104 0.000 2.019 188 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 188 A C 1.993 179.572 177.584 -0.009 0.000 1.164 188 A CA 1.358 53.365 52.037 -0.049 0.000 0.644 188 A CB -1.507 17.482 19.000 -0.019 0.000 0.805 188 A HN 0.173 nan 8.150 nan 0.000 0.449 189 L N 0.141 121.375 121.223 0.018 0.000 2.567 189 L HA 0.051 4.391 4.340 -0.001 0.000 0.225 189 L C 1.579 178.499 176.870 0.084 0.000 1.119 189 L CA 0.460 55.324 54.840 0.040 0.000 0.871 189 L CB -0.429 41.667 42.059 0.061 0.000 1.036 189 L HN 0.530 nan 8.230 nan 0.000 0.459 190 T N -4.540 110.075 114.554 0.101 0.000 2.771 190 T HA 0.104 4.454 4.350 -0.001 0.000 0.290 190 T C 0.754 175.460 174.700 0.010 0.000 1.005 190 T CA -0.529 61.651 62.100 0.133 0.000 0.944 190 T CB 1.062 70.044 68.868 0.190 0.000 1.147 190 T HN -0.048 nan 8.240 nan 0.000 0.534 191 D N -0.653 119.723 120.400 -0.041 0.000 2.262 191 D HA 0.175 4.815 4.640 -0.001 0.000 0.212 191 D C -0.187 175.470 176.300 -1.071 0.000 0.964 191 D CA 0.968 54.720 54.000 -0.413 0.000 0.875 191 D CB 0.126 40.776 40.800 -0.250 0.000 0.996 191 D HN 0.455 nan 8.370 nan 0.000 0.497 192 F N 0.311 120.072 119.950 -0.314 0.000 2.561 192 F HA 0.446 4.973 4.527 -0.001 0.000 0.313 192 F C -0.178 175.582 175.800 -0.065 0.000 1.126 192 F CA -0.863 56.866 58.000 -0.452 0.000 0.918 192 F CB 2.126 41.005 39.000 -0.200 0.000 1.199 192 F HN -0.363 nan 8.300 nan 0.000 0.444 193 I N 4.722 125.505 120.570 0.356 0.000 2.355 193 I HA 0.406 4.575 4.170 -0.001 0.000 0.288 193 I C -0.703 175.592 176.117 0.296 0.000 0.999 193 I CA -0.443 61.002 61.300 0.241 0.000 1.163 193 I CB 1.338 39.403 38.000 0.108 0.000 1.316 193 I HN 0.448 nan 8.210 nan 0.000 0.454 194 I N 6.999 127.686 120.570 0.196 0.000 2.339 194 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 194 I C -0.231 175.928 176.117 0.069 0.000 0.994 194 I CA -0.236 61.178 61.300 0.191 0.000 1.191 194 I CB 1.460 39.500 38.000 0.068 0.000 1.343 194 I HN 0.538 nan 8.210 nan 0.000 0.458 195 M N 6.650 126.285 119.600 0.059 0.000 2.243 195 M HA 0.377 4.857 4.480 -0.001 0.000 0.324 195 M C 0.023 176.319 176.300 -0.006 0.000 1.031 195 M CA -0.484 54.810 55.300 -0.010 0.000 0.949 195 M CB 1.769 34.336 32.600 -0.055 0.000 1.615 195 M HN 0.714 nan 8.290 nan 0.000 0.430 196 T N 0.945 115.485 114.554 -0.023 0.000 2.849 196 T HA 0.341 4.691 4.350 -0.001 0.000 0.284 196 T C 0.647 175.306 174.700 -0.067 0.000 1.004 196 T CA -0.589 61.497 62.100 -0.024 0.000 1.021 196 T CB 0.974 69.835 68.868 -0.012 0.000 1.013 196 T HN 0.796 nan 8.240 nan 0.000 0.527 197 K N 0.161 120.529 120.400 -0.053 0.000 2.555 197 K HA 0.048 4.368 4.320 -0.001 0.000 0.193 197 K C 1.432 177.963 176.600 -0.115 0.000 1.032 197 K CA 0.275 56.517 56.287 -0.075 0.000 1.004 197 K CB 0.108 32.589 32.500 -0.032 0.000 0.804 197 K HN 0.361 nan 8.250 nan 0.000 0.496 198 K N -0.060 120.273 120.400 -0.111 0.000 2.367 198 K HA 0.165 4.485 4.320 -0.001 0.000 0.194 198 K C 0.485 176.970 176.600 -0.193 0.000 1.027 198 K CA 0.050 56.275 56.287 -0.104 0.000 1.075 198 K CB 0.776 33.243 32.500 -0.055 0.000 0.845 198 K HN 0.045 nan 8.250 nan 0.000 0.529 199 A N 0.681 123.332 122.820 -0.282 0.000 2.269 199 A HA 0.611 4.931 4.320 -0.001 0.000 0.319 199 A C -0.992 176.197 177.584 -0.657 0.000 1.110 199 A CA -0.292 51.556 52.037 -0.316 0.000 0.847 199 A CB 0.371 19.257 19.000 -0.190 0.000 1.161 199 A HN 0.332 nan 8.150 nan 0.000 0.497 200 H N -1.044 117.936 119.070 -0.149 0.000 2.996 200 H HA 0.657 5.213 4.556 -0.001 0.000 0.368 200 H C -0.737 174.344 175.328 -0.411 0.000 1.185 200 H CA -0.335 55.592 56.048 -0.201 0.000 1.160 200 H CB 1.888 31.543 29.762 -0.177 0.000 1.820 200 H HN 0.784 nan 8.280 nan 0.000 0.547 201 M N 3.689 123.091 119.600 -0.330 0.000 2.365 201 M HA 0.575 5.055 4.480 -0.001 0.000 0.287 201 M C -2.089 174.045 176.300 -0.276 0.000 1.154 201 M CA -0.646 54.363 55.300 -0.485 0.000 0.941 201 M CB 1.808 34.128 32.600 -0.467 0.000 1.704 201 M HN 0.601 nan 8.290 nan 0.000 0.479 202 F N 2.720 122.687 119.950 0.029 0.000 2.793 202 F HA 0.415 4.942 4.527 -0.001 0.000 0.316 202 F C -0.989 174.765 175.800 -0.077 0.000 1.147 202 F CA -1.194 56.817 58.000 0.018 0.000 0.930 202 F CB -0.189 38.833 39.000 0.037 0.000 1.277 202 F HN 0.370 nan 8.300 nan 0.000 0.443 203 I N 0.464 121.145 120.570 0.184 0.000 2.296 203 I HA 0.036 4.206 4.170 -0.001 0.000 0.242 203 I C 0.845 177.029 176.117 0.112 0.000 1.087 203 I CA 1.268 62.592 61.300 0.040 0.000 1.393 203 I CB -0.810 37.169 38.000 -0.036 0.000 1.093 203 I HN 0.656 nan 8.210 nan 0.000 0.421 204 T N 1.524 116.113 114.554 0.058 0.000 2.797 204 T HA 0.602 4.952 4.350 -0.001 0.000 0.279 204 T C 0.310 174.824 174.700 -0.310 0.000 0.991 204 T CA -0.562 61.506 62.100 -0.053 0.000 0.979 204 T CB 1.945 70.777 68.868 -0.060 0.000 0.943 204 T HN 0.313 nan 8.240 nan 0.000 0.444 205 G N 2.473 111.017 108.800 -0.427 0.000 2.562 205 G HA2 0.399 4.359 3.960 -0.001 0.000 0.275 205 G HA3 0.399 4.359 3.960 -0.001 0.000 0.275 205 G C -1.650 172.925 174.900 -0.543 0.000 1.196 205 G CA -1.582 42.979 45.100 -0.899 0.000 0.908 205 G HN 0.387 nan 8.290 nan 0.000 0.524 206 P HA -0.157 nan 4.420 nan 0.000 0.216 206 P C 1.764 178.958 177.300 -0.176 0.000 1.150 206 P CA 1.080 64.015 63.100 -0.275 0.000 0.843 206 P CB 0.278 31.850 31.700 -0.213 0.000 0.787 207 Q N -0.508 119.198 119.800 -0.155 0.000 1.948 207 Q HA -0.139 4.200 4.340 -0.001 0.000 0.205 207 Q C 2.179 178.127 176.000 -0.086 0.000 0.992 207 Q CA 1.618 57.364 55.803 -0.095 0.000 0.849 207 Q CB -1.589 27.107 28.738 -0.070 0.000 0.918 207 Q HN 0.008 nan 8.270 nan 0.000 0.421 208 V N 0.686 120.545 119.914 -0.092 0.000 2.324 208 V HA -0.296 3.823 4.120 -0.001 0.000 0.250 208 V C 2.181 178.232 176.094 -0.073 0.000 1.060 208 V CA 1.925 64.183 62.300 -0.070 0.000 1.042 208 V CB -0.710 31.074 31.823 -0.065 0.000 0.650 208 V HN 0.367 nan 8.190 nan 0.000 0.450 209 I N -0.167 120.343 120.570 -0.101 0.000 2.163 209 I HA -0.278 3.892 4.170 -0.001 0.000 0.243 209 I C 2.636 178.713 176.117 -0.067 0.000 1.085 209 I CA 1.832 63.079 61.300 -0.088 0.000 1.347 209 I CB -0.426 37.505 38.000 -0.116 0.000 1.044 209 I HN 0.278 nan 8.210 nan 0.000 0.408 210 K N 1.364 121.722 120.400 -0.071 0.000 2.032 210 K HA -0.147 4.172 4.320 -0.001 0.000 0.209 210 K C 2.128 178.703 176.600 -0.041 0.000 1.048 210 K CA 2.080 58.335 56.287 -0.054 0.000 0.927 210 K CB -0.494 31.974 32.500 -0.054 0.000 0.712 210 K HN 0.179 nan 8.250 nan 0.000 0.441 211 S N -0.152 115.523 115.700 -0.041 0.000 2.354 211 S HA -0.147 4.323 4.470 -0.001 0.000 0.219 211 S C 2.019 176.603 174.600 -0.027 0.000 1.035 211 S CA 1.722 59.904 58.200 -0.031 0.000 1.037 211 S CB -0.618 62.564 63.200 -0.029 0.000 0.956 211 S HN 0.156 nan 8.310 nan 0.000 0.428 212 V N 1.862 121.759 119.914 -0.029 0.000 2.358 212 V HA -0.115 4.004 4.120 -0.001 0.000 0.246 212 V C 2.606 178.686 176.094 -0.023 0.000 1.047 212 V CA 1.984 64.270 62.300 -0.024 0.000 1.035 212 V CB -1.256 30.553 31.823 -0.023 0.000 0.658 212 V HN 0.815 nan 8.190 nan 0.000 0.452 213 T N -3.836 110.701 114.554 -0.029 0.000 2.985 213 T HA 0.365 4.715 4.350 -0.001 0.000 0.254 213 T C 1.570 176.254 174.700 -0.026 0.000 1.021 213 T CA 0.927 63.012 62.100 -0.026 0.000 0.957 213 T CB 0.873 69.724 68.868 -0.029 0.000 1.047 213 T HN 0.973 nan 8.240 nan 0.000 0.511 214 G N 1.379 110.162 108.800 -0.029 0.000 2.148 214 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.254 214 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.254 214 G C -0.228 174.654 174.900 -0.029 0.000 0.981 214 G CA 0.244 45.328 45.100 -0.027 0.000 0.670 214 G HN 0.678 nan 8.290 nan 0.000 0.528 215 E N 0.992 121.171 120.200 -0.035 0.000 2.354 215 E HA 0.370 4.720 4.350 -0.001 0.000 0.269 215 E C -0.472 176.103 176.600 -0.043 0.000 1.036 215 E CA -0.258 56.120 56.400 -0.037 0.000 0.876 215 E CB 0.699 30.375 29.700 -0.040 0.000 1.009 215 E HN 0.337 nan 8.360 nan 0.000 0.416 216 D N 2.241 122.618 120.400 -0.038 0.000 2.303 216 D HA 0.353 4.993 4.640 -0.001 0.000 0.236 216 D C -1.112 175.163 176.300 -0.041 0.000 1.068 216 D CA -0.221 53.755 54.000 -0.039 0.000 0.830 216 D CB 2.092 42.874 40.800 -0.030 0.000 1.109 216 D HN 0.053 nan 8.370 nan 0.000 0.496 217 V N 1.679 121.563 119.914 -0.051 0.000 3.000 217 V HA 0.303 4.423 4.120 -0.001 0.000 0.300 217 V C -0.453 175.609 176.094 -0.053 0.000 1.251 217 V CA -0.534 61.738 62.300 -0.048 0.000 0.972 217 V CB 2.322 34.111 31.823 -0.057 0.000 1.065 217 V HN 0.715 nan 8.190 nan 0.000 0.431 218 T N 3.197 117.731 114.554 -0.033 0.000 2.874 218 T HA 0.657 5.006 4.350 -0.001 0.000 0.281 218 T C 1.372 176.063 174.700 -0.015 0.000 0.994 218 T CA 0.243 62.326 62.100 -0.030 0.000 1.015 218 T CB 1.673 70.534 68.868 -0.012 0.000 1.028 218 T HN 1.524 nan 8.240 nan 0.000 0.523 219 A N 0.928 123.733 122.820 -0.024 0.000 1.917 219 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 219 A C 2.010 179.690 177.584 0.161 0.000 1.182 219 A CA 2.253 54.324 52.037 0.057 0.000 0.633 219 A CB -1.341 17.607 19.000 -0.087 0.000 0.819 219 A HN 1.013 nan 8.150 nan 0.000 0.448 220 D N -0.762 119.698 120.400 0.100 0.000 2.144 220 D HA -0.116 4.524 4.640 -0.001 0.000 0.200 220 D C 1.934 178.320 176.300 0.143 0.000 0.978 220 D CA 1.497 55.649 54.000 0.254 0.000 0.833 220 D CB -0.131 40.798 40.800 0.215 0.000 0.961 220 D HN 0.645 nan 8.370 nan 0.000 0.470 221 E N -0.678 119.565 120.200 0.072 0.000 2.152 221 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 221 E C 1.869 178.474 176.600 0.009 0.000 0.983 221 E CA 0.309 56.725 56.400 0.026 0.000 0.818 221 E CB 0.068 29.771 29.700 0.004 0.000 0.758 221 E HN 0.262 nan 8.360 nan 0.000 0.467 222 L N -0.524 120.723 121.223 0.040 0.000 2.068 222 L HA 0.093 4.432 4.340 -0.001 0.000 0.204 222 L C 1.593 178.488 176.870 0.043 0.000 1.076 222 L CA 1.877 56.735 54.840 0.031 0.000 0.753 222 L CB 0.114 42.183 42.059 0.017 0.000 0.910 222 L HN 0.073 nan 8.230 nan 0.000 0.439 223 G N -1.065 107.864 108.800 0.216 0.000 4.424 223 G HA2 0.406 4.366 3.960 -0.001 0.000 0.287 223 G HA3 0.406 4.366 3.960 -0.001 0.000 0.287 223 G C 0.359 175.389 174.900 0.218 0.000 1.023 223 G CA 0.162 45.366 45.100 0.174 0.000 0.790 223 G HN 0.559 nan 8.290 nan 0.000 0.468 224 G N -0.584 108.304 108.800 0.146 0.000 2.572 224 G HA2 0.487 4.447 3.960 -0.001 0.000 0.261 224 G HA3 0.487 4.447 3.960 -0.001 0.000 0.261 224 G C 1.299 176.226 174.900 0.044 0.000 1.197 224 G CA 0.355 45.479 45.100 0.040 0.000 0.870 224 G HN 0.471 nan 8.290 nan 0.000 0.548 225 A N 0.046 122.855 122.820 -0.019 0.000 1.892 225 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 225 A C 2.074 179.674 177.584 0.027 0.000 1.188 225 A CA 2.168 54.217 52.037 0.019 0.000 0.631 225 A CB -0.536 18.449 19.000 -0.026 0.000 0.822 225 A HN 0.763 nan 8.150 nan 0.000 0.447 226 E N -0.459 119.744 120.200 0.004 0.000 2.110 226 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 226 E C 2.298 178.890 176.600 -0.013 0.000 0.988 226 E CA 0.841 57.242 56.400 0.002 0.000 0.804 226 E CB -0.282 29.419 29.700 0.002 0.000 0.745 226 E HN 0.646 nan 8.360 nan 0.000 0.458 227 A N 1.346 124.138 122.820 -0.047 0.000 1.898 227 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 227 A C 1.878 179.368 177.584 -0.157 0.000 1.181 227 A CA 1.285 53.256 52.037 -0.111 0.000 0.620 227 A CB -0.621 18.277 19.000 -0.169 0.000 0.819 227 A HN 0.253 nan 8.150 nan 0.000 0.442 228 H N -1.664 117.374 119.070 -0.053 0.000 2.387 228 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 228 H C 2.071 177.307 175.328 -0.153 0.000 1.090 228 H CA 2.042 58.025 56.048 -0.108 0.000 1.332 228 H CB -0.269 29.419 29.762 -0.124 0.000 1.386 228 H HN 0.542 nan 8.280 nan 0.000 0.516 229 M N 0.747 120.349 119.600 0.004 0.000 2.064 229 M HA -0.013 4.467 4.480 -0.001 0.000 0.260 229 M C 2.357 178.678 176.300 0.036 0.000 1.073 229 M CA 2.036 57.314 55.300 -0.038 0.000 1.124 229 M CB -0.484 32.112 32.600 -0.007 0.000 1.326 229 M HN 0.121 nan 8.290 nan 0.000 0.410 230 A N -0.857 122.003 122.820 0.068 0.000 2.021 230 A HA 0.158 4.478 4.320 -0.001 0.000 0.216 230 A C 2.023 179.724 177.584 0.195 0.000 1.163 230 A CA 1.253 53.374 52.037 0.140 0.000 0.676 230 A CB -0.578 18.453 19.000 0.053 0.000 0.818 230 A HN 0.595 nan 8.150 nan 0.000 0.453 231 I N -1.765 118.862 120.570 0.095 0.000 2.962 231 I HA -0.033 4.137 4.170 -0.001 0.000 0.246 231 I C 2.377 178.549 176.117 0.092 0.000 1.091 231 I CA 0.840 62.191 61.300 0.086 0.000 1.469 231 I CB -0.386 37.613 38.000 -0.002 0.000 1.324 231 I HN 0.106 nan 8.210 nan 0.000 0.461 232 S N 0.604 116.284 115.700 -0.033 0.000 2.402 232 S HA -0.013 4.456 4.470 -0.001 0.000 0.229 232 S C 1.647 176.110 174.600 -0.228 0.000 1.021 232 S CA 1.077 59.237 58.200 -0.067 0.000 0.974 232 S CB -0.277 62.907 63.200 -0.026 0.000 0.800 232 S HN 0.728 nan 8.310 nan 0.000 0.484 233 G N 1.414 109.864 108.800 -0.583 0.000 2.160 233 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.251 233 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.251 233 G C 0.435 174.940 174.900 -0.658 0.000 1.008 233 G CA 0.576 44.882 45.100 -1.324 0.000 0.724 233 G HN 0.593 nan 8.290 nan 0.000 0.514 234 N N -0.384 118.100 118.700 -0.360 0.000 2.416 234 N HA 0.264 5.003 4.740 -0.001 0.000 0.177 234 N C 1.222 176.531 175.510 -0.335 0.000 1.036 234 N CA 0.919 53.812 53.050 -0.261 0.000 0.901 234 N CB 0.209 38.616 38.487 -0.132 0.000 0.976 234 N HN 0.842 nan 8.380 nan 0.000 0.444 235 I N -3.411 116.935 120.570 -0.374 0.000 3.067 235 I HA 0.393 4.563 4.170 -0.001 0.000 0.312 235 I C -0.156 175.651 176.117 -0.517 0.000 1.073 235 I CA -0.800 60.305 61.300 -0.326 0.000 1.016 235 I CB 1.708 39.629 38.000 -0.133 0.000 1.227 235 I HN -0.169 nan 8.210 nan 0.000 0.456 236 H N 1.452 120.443 119.070 -0.131 0.000 2.729 236 H HA 0.475 5.031 4.556 -0.000 0.000 0.263 236 H C -1.041 173.831 175.328 -0.759 0.000 0.961 236 H CA 0.383 56.212 56.048 -0.364 0.000 1.217 236 H CB 0.467 30.123 29.762 -0.175 0.000 1.447 236 H HN 0.427 nan 8.280 nan 0.000 0.496 237 F N -0.212 119.817 119.950 0.132 0.000 2.608 237 F HA 0.449 4.977 4.527 0.000 0.000 0.309 237 F C -0.925 174.893 175.800 0.030 0.000 1.103 237 F CA -1.232 56.811 58.000 0.071 0.000 0.954 237 F CB 1.936 40.975 39.000 0.065 0.000 1.267 237 F HN -0.339 nan 8.300 nan 0.000 0.444 238 V N 2.635 122.662 119.914 0.188 0.000 2.398 238 V HA 0.822 4.942 4.120 -0.001 0.000 0.286 238 V C -0.274 175.880 176.094 0.100 0.000 1.026 238 V CA -0.619 61.742 62.300 0.101 0.000 0.868 238 V CB 1.409 33.265 31.823 0.055 0.000 0.982 238 V HN 0.877 nan 8.190 nan 0.000 0.443 239 A N 3.392 126.251 122.820 0.065 0.000 2.342 239 A HA 0.669 4.988 4.320 -0.001 0.000 0.323 239 A C 0.821 178.417 177.584 0.021 0.000 1.125 239 A CA -0.466 51.596 52.037 0.043 0.000 0.785 239 A CB 1.081 20.101 19.000 0.034 0.000 1.221 239 A HN 0.752 nan 8.150 nan 0.000 0.463 240 E N 0.893 121.103 120.200 0.016 0.000 2.058 240 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 240 E C 0.046 176.647 176.600 0.002 0.000 0.997 240 E CA 2.112 58.516 56.400 0.007 0.000 0.801 240 E CB -0.020 29.683 29.700 0.005 0.000 0.746 240 E HN 0.916 nan 8.360 nan 0.000 0.450 241 D N -2.477 117.926 120.400 0.006 0.000 2.825 241 D HA 0.093 4.732 4.640 -0.001 0.000 0.327 241 D C 0.290 176.602 176.300 0.019 0.000 1.277 241 D CA -0.555 53.448 54.000 0.006 0.000 0.950 241 D CB -0.133 40.668 40.800 0.001 0.000 1.438 241 D HN -0.392 nan 8.370 nan 0.000 0.526 242 D N -0.421 119.993 120.400 0.024 0.000 2.123 242 D HA -0.117 4.522 4.640 -0.001 0.000 0.196 242 D C 1.094 177.418 176.300 0.040 0.000 0.992 242 D CA 1.177 55.206 54.000 0.048 0.000 0.833 242 D CB -0.131 40.681 40.800 0.020 0.000 0.954 242 D HN 0.364 nan 8.370 nan 0.000 0.455 243 D N 0.296 120.701 120.400 0.010 0.000 2.117 243 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 243 D C 2.010 178.310 176.300 0.000 0.000 0.987 243 D CA 1.315 55.314 54.000 -0.001 0.000 0.829 243 D CB -0.221 40.570 40.800 -0.015 0.000 0.961 243 D HN 0.155 nan 8.370 nan 0.000 0.460 244 A N 0.981 123.802 122.820 0.001 0.000 1.930 244 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 244 A C 2.306 179.884 177.584 -0.010 0.000 1.175 244 A CA 2.009 54.042 52.037 -0.006 0.000 0.627 244 A CB -0.554 18.447 19.000 0.000 0.000 0.815 244 A HN 0.233 nan 8.150 nan 0.000 0.443 245 A N -0.129 122.699 122.820 0.013 0.000 1.930 245 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 245 A C 1.891 179.470 177.584 -0.009 0.000 1.175 245 A CA 1.684 53.726 52.037 0.008 0.000 0.627 245 A CB -0.472 18.564 19.000 0.061 0.000 0.815 245 A HN 0.610 nan 8.150 nan 0.000 0.443 246 E N -0.154 120.073 120.200 0.044 0.000 2.072 246 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 246 E C 1.923 178.505 176.600 -0.030 0.000 0.985 246 E CA 1.089 57.517 56.400 0.047 0.000 0.801 246 E CB -0.249 29.499 29.700 0.080 0.000 0.750 246 E HN 0.618 nan 8.360 nan 0.000 0.452 247 L N 0.479 121.677 121.223 -0.041 0.000 2.056 247 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 247 L C 2.381 179.185 176.870 -0.110 0.000 1.078 247 L CA 0.910 55.710 54.840 -0.066 0.000 0.749 247 L CB -0.306 41.721 42.059 -0.053 0.000 0.901 247 L HN 0.175 nan 8.230 nan 0.000 0.433 248 I N -0.152 120.336 120.570 -0.137 0.000 2.226 248 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 248 I C 2.807 178.732 176.117 -0.321 0.000 1.100 248 I CA 1.134 62.282 61.300 -0.253 0.000 1.374 248 I CB -0.445 37.375 38.000 -0.299 0.000 1.057 248 I HN 0.198 nan 8.210 nan 0.000 0.413 249 A N 0.902 123.575 122.820 -0.245 0.000 1.908 249 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 249 A C 2.315 179.778 177.584 -0.203 0.000 1.181 249 A CA 1.791 53.683 52.037 -0.242 0.000 0.627 249 A CB -0.464 18.416 19.000 -0.200 0.000 0.818 249 A HN 0.340 nan 8.150 nan 0.000 0.445 250 K N -0.654 119.654 120.400 -0.153 0.000 2.057 250 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 250 K C 2.199 178.703 176.600 -0.161 0.000 1.050 250 K CA 1.546 57.753 56.287 -0.133 0.000 0.935 250 K CB -0.110 32.331 32.500 -0.100 0.000 0.715 250 K HN 0.345 nan 8.250 nan 0.000 0.439 251 K N 1.635 121.938 120.400 -0.162 0.000 2.025 251 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 251 K C 1.971 178.505 176.600 -0.109 0.000 1.049 251 K CA 0.992 57.193 56.287 -0.144 0.000 0.933 251 K CB -0.498 31.954 32.500 -0.081 0.000 0.714 251 K HN 0.027 nan 8.250 nan 0.000 0.438 252 L N 0.589 121.710 121.223 -0.170 0.000 1.989 252 L HA -0.098 4.241 4.340 -0.001 0.000 0.211 252 L C 2.098 178.855 176.870 -0.189 0.000 1.071 252 L CA 1.747 56.471 54.840 -0.192 0.000 0.749 252 L CB -1.013 40.750 42.059 -0.493 0.000 0.890 252 L HN 0.346 nan 8.230 nan 0.000 0.431 253 L N -0.073 121.025 121.223 -0.208 0.000 2.081 253 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 253 L C 2.792 179.562 176.870 -0.167 0.000 1.080 253 L CA 2.150 56.889 54.840 -0.168 0.000 0.754 253 L CB -1.004 40.975 42.059 -0.134 0.000 0.893 253 L HN 0.689 nan 8.230 nan 0.000 0.433 254 S N -1.470 114.091 115.700 -0.231 0.000 2.440 254 S HA -0.213 4.256 4.470 -0.001 0.000 0.238 254 S C 1.783 176.157 174.600 -0.377 0.000 1.010 254 S CA 1.386 59.399 58.200 -0.311 0.000 0.972 254 S CB -1.103 61.848 63.200 -0.416 0.000 0.774 254 S HN 0.484 nan 8.310 nan 0.000 0.501 255 F N 1.457 121.292 119.950 -0.193 0.000 2.789 255 F HA 0.446 4.973 4.527 0.000 0.000 0.300 255 F C 0.781 176.459 175.800 -0.205 0.000 1.132 255 F CA -0.248 57.619 58.000 -0.222 0.000 1.404 255 F CB 0.009 38.722 39.000 -0.479 0.000 1.114 255 F HN 0.104 nan 8.300 nan 0.000 0.584 256 L N 1.252 122.450 121.223 -0.041 0.000 2.334 256 L HA 0.455 4.795 4.340 -0.001 0.000 0.272 256 L C -2.256 174.621 176.870 0.011 0.000 1.020 256 L CA -2.304 52.525 54.840 -0.018 0.000 0.812 256 L CB 0.962 42.979 42.059 -0.071 0.000 1.264 256 L HN -0.313 nan 8.230 nan 0.000 0.439 257 P HA 0.123 nan 4.420 nan 0.000 0.276 257 P C -0.410 176.926 177.300 0.061 0.000 1.261 257 P CA -0.481 62.672 63.100 0.088 0.000 0.800 257 P CB 1.056 32.853 31.700 0.162 0.000 1.066 258 Q N 0.419 120.266 119.800 0.079 0.000 2.119 258 Q HA -0.080 4.259 4.340 -0.001 0.000 0.201 258 Q C 0.592 176.669 176.000 0.129 0.000 0.972 258 Q CA 1.725 57.578 55.803 0.083 0.000 0.847 258 Q CB -0.345 28.443 28.738 0.084 0.000 0.903 258 Q HN 0.705 nan 8.270 nan 0.000 0.433 259 N N -1.849 116.964 118.700 0.188 0.000 3.179 259 N HA -0.015 4.724 4.740 -0.001 0.000 0.250 259 N C -0.211 175.494 175.510 0.325 0.000 1.507 259 N CA -0.331 52.892 53.050 0.289 0.000 0.883 259 N CB -0.295 38.301 38.487 0.181 0.000 1.435 259 N HN -0.213 nan 8.380 nan 0.000 0.532 260 N N -1.723 117.114 118.700 0.228 0.000 2.609 260 N HA -0.116 4.624 4.740 -0.001 0.000 0.190 260 N C 0.565 176.073 175.510 -0.004 0.000 1.157 260 N CA 1.400 54.435 53.050 -0.025 0.000 0.918 260 N CB -0.771 37.530 38.487 -0.311 0.000 0.978 260 N HN 0.773 nan 8.380 nan 0.000 0.448 261 T N -4.219 110.363 114.554 0.047 0.000 3.107 261 T HA 0.177 4.527 4.350 -0.001 0.000 0.249 261 T C 0.140 174.868 174.700 0.047 0.000 1.096 261 T CA -0.195 61.924 62.100 0.031 0.000 1.012 261 T CB 0.002 68.889 68.868 0.032 0.000 0.977 261 T HN 0.305 nan 8.240 nan 0.000 0.527 262 E N 0.306 120.552 120.200 0.077 0.000 2.410 262 E HA 0.555 4.905 4.350 -0.001 0.000 0.269 262 E C -1.173 175.492 176.600 0.107 0.000 0.937 262 E CA -0.993 55.455 56.400 0.080 0.000 0.793 262 E CB 1.896 31.643 29.700 0.078 0.000 1.314 262 E HN 0.313 nan 8.360 nan 0.000 0.447 263 E N 0.544 120.808 120.200 0.106 0.000 2.214 263 E HA 0.520 4.870 4.350 -0.001 0.000 0.274 263 E C -0.938 175.756 176.600 0.157 0.000 0.977 263 E CA -0.708 55.780 56.400 0.146 0.000 0.827 263 E CB 1.226 31.024 29.700 0.164 0.000 1.130 263 E HN 0.575 nan 8.360 nan 0.000 0.394 264 A N 2.656 125.586 122.820 0.183 0.000 2.520 264 A HA 0.123 4.443 4.320 -0.001 0.000 0.235 264 A C 0.007 177.722 177.584 0.218 0.000 1.065 264 A CA -0.006 52.131 52.037 0.167 0.000 0.764 264 A CB 0.234 19.328 19.000 0.157 0.000 1.002 264 A HN 0.619 nan 8.150 nan 0.000 0.502 265 S N 1.325 117.116 115.700 0.153 0.000 2.562 265 S HA 0.362 4.832 4.470 -0.001 0.000 0.281 265 S C -0.009 174.784 174.600 0.321 0.000 1.333 265 S CA -0.211 58.086 58.200 0.161 0.000 1.052 265 S CB -0.082 63.162 63.200 0.073 0.000 0.884 265 S HN 0.378 nan 8.310 nan 0.000 0.506 266 F N 1.815 121.790 119.950 0.041 0.000 2.506 266 F HA 0.273 4.800 4.527 -0.000 0.000 0.351 266 F C 0.544 176.366 175.800 0.036 0.000 1.136 266 F CA -0.993 57.039 58.000 0.054 0.000 1.298 266 F CB 0.036 39.074 39.000 0.064 0.000 1.145 266 F HN 0.123 nan 8.300 nan 0.000 0.593 267 V N 2.507 122.538 119.914 0.195 0.000 2.638 267 V HA 0.254 4.374 4.120 -0.001 0.000 0.306 267 V C 0.199 176.384 176.094 0.151 0.000 1.052 267 V CA -1.664 60.700 62.300 0.107 0.000 0.885 267 V CB 1.562 33.379 31.823 -0.010 0.000 0.999 267 V HN 0.846 nan 8.190 nan 0.000 0.424 268 N N 3.602 122.389 118.700 0.146 0.000 2.696 268 N HA -0.126 4.613 4.740 -0.001 0.000 0.271 268 N C -2.148 173.610 175.510 0.413 0.000 0.997 268 N CA -0.313 52.867 53.050 0.217 0.000 0.801 268 N CB 0.226 38.774 38.487 0.101 0.000 0.913 268 N HN 0.464 nan 8.380 nan 0.000 0.557 269 P HA 0.004 nan 4.420 nan 0.000 0.268 269 P C -0.910 176.505 177.300 0.192 0.000 1.204 269 P CA 0.183 63.412 63.100 0.214 0.000 0.768 269 P CB 0.717 32.520 31.700 0.172 0.000 0.842 270 N N 3.057 121.704 118.700 -0.089 0.000 2.476 270 N HA 0.124 4.864 4.740 -0.001 0.000 0.257 270 N C -0.088 175.287 175.510 -0.226 0.000 0.970 270 N CA -0.343 52.472 53.050 -0.392 0.000 0.938 270 N CB 0.137 37.871 38.487 -1.255 0.000 1.144 270 N HN 0.189 nan 8.380 nan 0.000 0.500 271 N N 1.215 119.849 118.700 -0.111 0.000 2.280 271 N HA -0.018 4.721 4.740 -0.001 0.000 0.192 271 N C -0.808 174.659 175.510 -0.072 0.000 1.109 271 N CA -0.279 52.733 53.050 -0.062 0.000 0.855 271 N CB 0.373 38.860 38.487 0.001 0.000 0.974 271 N HN 0.547 nan 8.380 nan 0.000 0.482 272 D N 0.992 121.324 120.400 -0.114 0.000 2.339 272 D HA 0.022 4.661 4.640 -0.001 0.000 0.256 272 D C 0.553 176.797 176.300 -0.095 0.000 1.214 272 D CA -0.334 53.613 54.000 -0.090 0.000 0.877 272 D CB 0.932 41.675 40.800 -0.095 0.000 1.111 272 D HN 0.042 nan 8.370 nan 0.000 0.478 273 V N 1.130 121.006 119.914 -0.063 0.000 2.988 273 V HA 0.339 4.459 4.120 -0.001 0.000 0.356 273 V C 0.432 176.497 176.094 -0.048 0.000 1.380 273 V CA -0.707 61.559 62.300 -0.057 0.000 1.184 273 V CB -0.525 31.272 31.823 -0.045 0.000 1.204 273 V HN 0.353 nan 8.190 nan 0.000 0.530 274 S N 3.043 118.716 115.700 -0.046 0.000 2.559 274 S HA 0.284 4.753 4.470 -0.001 0.000 0.282 274 S C -1.976 172.598 174.600 -0.044 0.000 1.336 274 S CA 0.077 58.253 58.200 -0.039 0.000 1.037 274 S CB 0.159 63.340 63.200 -0.032 0.000 0.853 274 S HN 0.510 nan 8.310 nan 0.000 0.523 275 P HA 0.201 nan 4.420 nan 0.000 0.269 275 P C -0.501 176.768 177.300 -0.052 0.000 1.215 275 P CA -0.255 62.809 63.100 -0.058 0.000 0.780 275 P CB 0.366 32.028 31.700 -0.063 0.000 0.898 276 N N 0.792 119.457 118.700 -0.060 0.000 2.576 276 N HA 0.081 4.821 4.740 -0.001 0.000 0.269 276 N C 0.592 176.060 175.510 -0.070 0.000 1.058 276 N CA -0.211 52.811 53.050 -0.047 0.000 0.860 276 N CB 0.681 39.152 38.487 -0.027 0.000 1.249 276 N HN 0.281 nan 8.380 nan 0.000 0.525 277 T N -0.181 114.332 114.554 -0.069 0.000 3.007 277 T HA -0.046 4.304 4.350 -0.001 0.000 0.270 277 T C 1.094 175.744 174.700 -0.083 0.000 1.107 277 T CA 1.002 63.048 62.100 -0.089 0.000 1.118 277 T CB -0.012 68.814 68.868 -0.071 0.000 0.889 277 T HN 0.502 nan 8.240 nan 0.000 0.506 278 E N 0.969 121.138 120.200 -0.052 0.000 2.153 278 E HA -0.014 4.335 4.350 -0.001 0.000 0.194 278 E C 1.973 178.549 176.600 -0.040 0.000 0.988 278 E CA 0.853 57.233 56.400 -0.032 0.000 0.811 278 E CB -0.410 29.287 29.700 -0.004 0.000 0.746 278 E HN 0.495 nan 8.360 nan 0.000 0.466 279 L N 0.558 121.747 121.223 -0.057 0.000 2.261 279 L HA -0.189 4.150 4.340 -0.001 0.000 0.216 279 L C 2.231 178.982 176.870 -0.198 0.000 1.114 279 L CA 1.013 55.820 54.840 -0.055 0.000 0.777 279 L CB -0.179 41.835 42.059 -0.075 0.000 0.910 279 L HN 0.064 nan 8.230 nan 0.000 0.440 280 R N -0.551 119.806 120.500 -0.238 0.000 2.235 280 R HA -0.074 4.266 4.340 -0.001 0.000 0.213 280 R C 0.967 177.188 176.300 -0.131 0.000 1.059 280 R CA 0.804 56.743 56.100 -0.268 0.000 0.997 280 R CB -0.050 30.121 30.300 -0.214 0.000 0.884 280 R HN 0.398 nan 8.270 nan 0.000 0.462 281 D N -0.058 120.295 120.400 -0.078 0.000 2.389 281 D HA 0.081 4.720 4.640 -0.001 0.000 0.206 281 D C 1.655 177.933 176.300 -0.036 0.000 1.055 281 D CA 0.300 54.273 54.000 -0.045 0.000 0.856 281 D CB 0.412 41.192 40.800 -0.032 0.000 0.957 281 D HN 0.184 nan 8.370 nan 0.000 0.509 282 I N 0.761 121.316 120.570 -0.026 0.000 2.252 282 I HA -0.119 4.050 4.170 -0.001 0.000 0.245 282 I C 0.785 176.743 176.117 -0.264 0.000 1.102 282 I CA 0.737 62.002 61.300 -0.059 0.000 1.385 282 I CB 0.211 38.215 38.000 0.007 0.000 1.064 282 I HN -0.242 nan 8.210 nan 0.000 0.414 283 V N 3.168 122.908 119.914 -0.291 0.000 2.368 283 V HA 0.201 4.321 4.120 -0.001 0.000 0.266 283 V C -2.160 173.816 176.094 -0.196 0.000 1.045 283 V CA -1.481 60.496 62.300 -0.538 0.000 0.899 283 V CB 0.294 31.915 31.823 -0.337 0.000 1.006 283 V HN 0.041 nan 8.190 nan 0.000 0.470 284 P HA 0.179 nan 4.420 nan 0.000 0.268 284 P C 0.733 178.031 177.300 -0.003 0.000 1.204 284 P CA -0.255 62.828 63.100 -0.029 0.000 0.768 284 P CB 0.727 32.439 31.700 0.021 0.000 0.842 285 I N 0.909 121.484 120.570 0.008 0.000 2.493 285 I HA -0.121 4.049 4.170 -0.001 0.000 0.254 285 I C 0.983 177.116 176.117 0.028 0.000 1.160 285 I CA 1.182 62.495 61.300 0.022 0.000 1.445 285 I CB -0.775 37.237 38.000 0.020 0.000 1.086 285 I HN 0.351 nan 8.210 nan 0.000 0.433 286 D N 0.686 121.101 120.400 0.025 0.000 2.348 286 D HA 0.052 4.692 4.640 -0.001 0.000 0.259 286 D C 1.582 177.901 176.300 0.033 0.000 1.296 286 D CA 0.362 54.378 54.000 0.028 0.000 0.931 286 D CB 0.821 41.635 40.800 0.025 0.000 1.067 286 D HN 0.244 nan 8.370 nan 0.000 0.503 287 G N 3.848 112.667 108.800 0.031 0.000 2.501 287 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 287 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 287 G C 1.363 176.273 174.900 0.017 0.000 1.114 287 G CA 0.469 45.583 45.100 0.023 0.000 0.757 287 G HN 0.486 nan 8.290 nan 0.000 0.559 288 K N -0.307 120.105 120.400 0.020 0.000 2.418 288 K HA 0.089 4.409 4.320 -0.001 0.000 0.195 288 K C 0.426 177.037 176.600 0.019 0.000 1.035 288 K CA 0.342 56.637 56.287 0.013 0.000 1.003 288 K CB 0.249 32.757 32.500 0.013 0.000 0.793 288 K HN 0.053 nan 8.250 nan 0.000 0.494 289 K N 0.903 121.326 120.400 0.038 0.000 2.159 289 K HA 0.266 4.586 4.320 -0.001 0.000 0.266 289 K C 0.323 176.985 176.600 0.104 0.000 0.975 289 K CA -0.322 55.998 56.287 0.056 0.000 0.865 289 K CB 1.804 34.339 32.500 0.058 0.000 1.087 289 K HN 0.064 nan 8.250 nan 0.000 0.446 290 G N 1.292 110.143 108.800 0.085 0.000 2.583 290 G HA2 0.643 4.603 3.960 -0.001 0.000 0.280 290 G HA3 0.643 4.603 3.960 -0.001 0.000 0.280 290 G C -0.942 174.094 174.900 0.226 0.000 1.376 290 G CA -0.327 44.821 45.100 0.081 0.000 1.043 290 G HN 0.627 nan 8.290 nan 0.000 0.538 291 Y N -3.332 116.950 120.300 -0.029 0.000 2.814 291 Y HA 0.512 5.061 4.550 -0.000 0.000 0.348 291 Y C -1.733 174.150 175.900 -0.029 0.000 1.245 291 Y CA -1.443 56.646 58.100 -0.018 0.000 1.086 291 Y CB 1.165 39.621 38.460 -0.007 0.000 1.373 291 Y HN 0.452 nan 8.280 nan 0.000 0.451 292 D N 1.177 121.619 120.400 0.070 0.000 2.359 292 D HA 0.156 4.795 4.640 -0.001 0.000 0.230 292 D C 0.578 176.906 176.300 0.047 0.000 1.118 292 D CA -0.067 53.913 54.000 -0.034 0.000 0.844 292 D CB 2.179 42.994 40.800 0.025 0.000 1.059 292 D HN 0.646 nan 8.370 nan 0.000 0.493 293 V N 5.502 125.340 119.914 -0.128 0.000 2.688 293 V HA -0.205 3.915 4.120 -0.001 0.000 0.256 293 V C 2.098 178.181 176.094 -0.018 0.000 1.084 293 V CA 1.716 64.013 62.300 -0.004 0.000 1.103 293 V CB -0.284 31.457 31.823 -0.137 0.000 0.688 293 V HN 0.505 nan 8.190 nan 0.000 0.480 294 R N -0.299 120.161 120.500 -0.066 0.000 2.237 294 R HA -0.097 4.243 4.340 -0.001 0.000 0.219 294 R C 1.802 178.097 176.300 -0.008 0.000 1.080 294 R CA 1.358 57.380 56.100 -0.131 0.000 0.995 294 R CB -0.252 29.988 30.300 -0.101 0.000 0.875 294 R HN 0.546 nan 8.270 nan 0.000 0.462 295 D N -0.102 120.343 120.400 0.074 0.000 2.183 295 D HA -0.092 4.548 4.640 -0.001 0.000 0.203 295 D C 1.842 178.203 176.300 0.101 0.000 0.969 295 D CA 0.893 54.958 54.000 0.108 0.000 0.842 295 D CB 0.060 40.936 40.800 0.126 0.000 0.957 295 D HN 0.004 nan 8.370 nan 0.000 0.484 296 V N 1.191 121.166 119.914 0.102 0.000 2.307 296 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 296 V C 2.543 178.674 176.094 0.062 0.000 1.045 296 V CA 0.954 63.319 62.300 0.108 0.000 1.024 296 V CB -0.282 31.595 31.823 0.091 0.000 0.651 296 V HN 0.158 nan 8.190 nan 0.000 0.449 297 I N 0.663 121.223 120.570 -0.017 0.000 2.151 297 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 297 I C 2.689 178.814 176.117 0.014 0.000 1.080 297 I CA 1.706 62.962 61.300 -0.072 0.000 1.339 297 I CB -0.639 37.181 38.000 -0.300 0.000 1.039 297 I HN 0.309 nan 8.210 nan 0.000 0.409 298 A N 0.417 123.278 122.820 0.069 0.000 1.978 298 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 298 A C 2.203 179.869 177.584 0.137 0.000 1.170 298 A CA 1.586 53.739 52.037 0.193 0.000 0.636 298 A CB -0.321 18.821 19.000 0.236 0.000 0.810 298 A HN 0.250 nan 8.150 nan 0.000 0.448 299 K N -0.151 120.310 120.400 0.101 0.000 2.296 299 K HA 0.065 4.385 4.320 -0.001 0.000 0.200 299 K C 1.662 178.297 176.600 0.059 0.000 1.048 299 K CA 1.292 57.626 56.287 0.078 0.000 0.966 299 K CB -0.302 32.245 32.500 0.079 0.000 0.754 299 K HN 0.863 nan 8.250 nan 0.000 0.466 300 I N -1.688 118.921 120.570 0.066 0.000 3.854 300 I HA 0.070 4.240 4.170 -0.001 0.000 0.312 300 I C 0.825 176.962 176.117 0.034 0.000 1.273 300 I CA -0.309 61.020 61.300 0.050 0.000 1.298 300 I CB 0.184 38.227 38.000 0.071 0.000 1.071 300 I HN -0.264 nan 8.210 nan 0.000 0.428 301 V N 0.129 120.079 119.914 0.061 0.000 2.863 301 V HA 0.426 4.546 4.120 -0.001 0.000 0.307 301 V C -0.389 175.719 176.094 0.024 0.000 1.061 301 V CA -0.599 61.744 62.300 0.072 0.000 1.024 301 V CB 0.939 32.854 31.823 0.154 0.000 1.049 301 V HN 0.018 nan 8.190 nan 0.000 0.471 302 D N 3.082 123.460 120.400 -0.037 0.000 2.531 302 D HA 0.073 4.712 4.640 -0.001 0.000 0.239 302 D C 0.347 176.598 176.300 -0.082 0.000 1.144 302 D CA 1.163 54.991 54.000 -0.286 0.000 0.869 302 D CB -0.307 40.322 40.800 -0.285 0.000 1.160 302 D HN 0.883 nan 8.370 nan 0.000 0.484 303 W N 1.357 122.703 121.300 0.077 0.000 3.207 303 W HA -0.271 4.388 4.660 -0.001 0.000 0.291 303 W C 1.572 178.144 176.519 0.088 0.000 1.105 303 W CA 0.043 57.430 57.345 0.070 0.000 0.612 303 W CB -2.000 27.495 29.460 0.057 0.000 2.140 303 W HN 0.761 nan 8.180 nan 0.000 1.420 304 G N 0.012 108.962 108.800 0.249 0.000 2.155 304 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.257 304 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.257 304 G C -0.096 174.986 174.900 0.303 0.000 0.983 304 G CA 0.292 45.546 45.100 0.256 0.000 0.676 304 G HN 0.513 nan 8.290 nan 0.000 0.528 305 D N 0.152 120.742 120.400 0.316 0.000 2.264 305 D HA 0.590 5.230 4.640 -0.001 0.000 0.250 305 D C 0.150 176.665 176.300 0.359 0.000 1.113 305 D CA -0.289 53.865 54.000 0.258 0.000 0.871 305 D CB 0.178 41.152 40.800 0.290 0.000 1.167 305 D HN 0.594 nan 8.370 nan 0.000 0.447 306 Y N 1.404 121.831 120.300 0.211 0.000 2.581 306 Y HA 0.425 4.975 4.550 -0.000 0.000 0.337 306 Y C -1.997 174.004 175.900 0.168 0.000 1.108 306 Y CA -1.385 56.819 58.100 0.174 0.000 1.033 306 Y CB 1.034 39.550 38.460 0.094 0.000 1.318 306 Y HN 0.276 nan 8.280 nan 0.000 0.459 307 L N 3.566 124.946 121.223 0.261 0.000 2.324 307 L HA 0.442 4.782 4.340 -0.001 0.000 0.274 307 L C -0.517 176.523 176.870 0.283 0.000 1.012 307 L CA -0.409 54.581 54.840 0.250 0.000 0.859 307 L CB 1.266 43.504 42.059 0.297 0.000 1.224 307 L HN 0.975 nan 8.230 nan 0.000 0.429 308 E N 2.908 123.284 120.200 0.294 0.000 2.316 308 E HA 0.254 4.604 4.350 -0.001 0.000 0.275 308 E C -1.062 175.569 176.600 0.051 0.000 1.029 308 E CA -0.436 56.057 56.400 0.156 0.000 0.871 308 E CB 1.454 31.258 29.700 0.173 0.000 1.022 308 E HN 0.396 nan 8.360 nan 0.000 0.418 309 V N 5.530 125.328 119.914 -0.194 0.000 2.472 309 V HA 0.131 4.250 4.120 -0.001 0.000 0.290 309 V C 0.250 176.144 176.094 -0.335 0.000 1.037 309 V CA -0.528 61.543 62.300 -0.381 0.000 0.908 309 V CB 1.382 33.046 31.823 -0.265 0.000 0.985 309 V HN 0.885 nan 8.190 nan 0.000 0.454 310 K N 2.237 122.408 120.400 -0.383 0.000 3.156 310 K HA -0.275 4.045 4.320 -0.001 0.000 0.266 310 K C 1.397 177.927 176.600 -0.117 0.000 0.966 310 K CA 0.494 56.653 56.287 -0.214 0.000 0.719 310 K CB -1.182 31.243 32.500 -0.125 0.000 1.333 310 K HN 0.947 nan 8.250 nan 0.000 0.468 311 A N -0.081 122.669 122.820 -0.116 0.000 1.978 311 A HA -0.107 4.213 4.320 -0.001 0.000 0.220 311 A C 2.005 179.574 177.584 -0.024 0.000 1.170 311 A CA 1.946 53.955 52.037 -0.048 0.000 0.636 311 A CB -0.098 18.907 19.000 0.008 0.000 0.810 311 A HN 0.606 nan 8.150 nan 0.000 0.448 312 G N -3.172 105.623 108.800 -0.008 0.000 3.337 312 G HA2 0.358 4.318 3.960 -0.001 0.000 0.246 312 G HA3 0.358 4.318 3.960 -0.001 0.000 0.246 312 G C -0.109 174.826 174.900 0.059 0.000 1.131 312 G CA -0.036 45.072 45.100 0.013 0.000 0.773 312 G HN 0.372 nan 8.290 nan 0.000 0.544 313 Y N 0.768 121.009 120.300 -0.100 0.000 2.393 313 Y HA 0.490 5.039 4.550 -0.000 0.000 0.341 313 Y C 0.372 176.215 175.900 -0.095 0.000 0.988 313 Y CA -1.233 56.809 58.100 -0.097 0.000 1.078 313 Y CB 1.918 40.306 38.460 -0.120 0.000 1.203 313 Y HN 0.369 nan 8.280 nan 0.000 0.453 314 A N 3.368 125.784 122.820 -0.673 0.000 2.312 314 A HA -0.254 4.065 4.320 -0.001 0.000 0.286 314 A C 1.093 178.518 177.584 -0.265 0.000 1.425 314 A CA 1.338 53.059 52.037 -0.526 0.000 0.748 314 A CB -2.281 16.346 19.000 -0.621 0.000 1.126 314 A HN 1.265 nan 8.150 nan 0.000 0.368 315 T N -1.012 113.424 114.554 -0.197 0.000 3.163 315 T HA -0.081 4.269 4.350 -0.001 0.000 0.260 315 T C 1.269 175.880 174.700 -0.148 0.000 1.156 315 T CA 0.892 62.906 62.100 -0.143 0.000 1.072 315 T CB -0.520 68.284 68.868 -0.107 0.000 0.937 315 T HN 0.915 nan 8.240 nan 0.000 0.528 316 N N 1.087 119.690 118.700 -0.162 0.000 2.515 316 N HA 0.075 4.814 4.740 -0.001 0.000 0.185 316 N C 0.257 175.674 175.510 -0.156 0.000 1.109 316 N CA 0.059 53.016 53.050 -0.156 0.000 0.903 316 N CB 0.000 38.399 38.487 -0.147 0.000 0.969 316 N HN 0.512 nan 8.380 nan 0.000 0.450 317 L N 0.124 121.256 121.223 -0.152 0.000 2.464 317 L HA 0.464 4.804 4.340 -0.001 0.000 0.266 317 L C -1.477 175.301 176.870 -0.154 0.000 0.965 317 L CA -0.741 54.016 54.840 -0.139 0.000 0.833 317 L CB 2.436 44.432 42.059 -0.106 0.000 1.296 317 L HN -0.285 nan 8.230 nan 0.000 0.405 318 V N 2.738 122.552 119.914 -0.167 0.000 2.427 318 V HA 0.641 4.761 4.120 -0.001 0.000 0.286 318 V C -0.080 175.848 176.094 -0.276 0.000 1.034 318 V CA -0.222 61.956 62.300 -0.204 0.000 0.893 318 V CB 1.883 33.584 31.823 -0.202 0.000 0.982 318 V HN 0.844 nan 8.190 nan 0.000 0.452 319 T N 1.809 116.114 114.554 -0.415 0.000 2.840 319 T HA 0.875 5.224 4.350 -0.001 0.000 0.287 319 T C -0.565 173.624 174.700 -0.852 0.000 0.991 319 T CA -0.516 61.084 62.100 -0.834 0.000 0.964 319 T CB 1.665 69.838 68.868 -1.159 0.000 0.954 319 T HN 1.083 nan 8.240 nan 0.000 0.438 320 A N 2.971 125.356 122.820 -0.725 0.000 2.549 320 A HA 0.779 5.098 4.320 -0.001 0.000 0.297 320 A C -1.165 176.316 177.584 -0.171 0.000 1.061 320 A CA -1.034 50.782 52.037 -0.368 0.000 0.690 320 A CB 1.207 20.130 19.000 -0.128 0.000 1.287 320 A HN 0.778 nan 8.150 nan 0.000 0.402 321 F N 0.998 120.912 119.950 -0.060 0.000 2.384 321 F HA 0.640 5.167 4.527 0.000 0.000 0.338 321 F C 0.911 176.470 175.800 -0.401 0.000 1.103 321 F CA 0.882 58.682 58.000 -0.333 0.000 1.157 321 F CB 1.831 40.209 39.000 -1.037 0.000 1.167 321 F HN 0.921 nan 8.300 nan 0.000 0.529 322 A N 3.510 126.368 122.820 0.062 0.000 2.524 322 A HA 0.886 5.206 4.320 -0.001 0.000 0.303 322 A C -1.202 176.614 177.584 0.386 0.000 1.195 322 A CA -1.009 51.198 52.037 0.282 0.000 0.651 322 A CB 1.759 20.905 19.000 0.243 0.000 1.323 322 A HN 0.711 nan 8.150 nan 0.000 0.479 323 R N -0.943 119.748 120.500 0.319 0.000 2.725 323 R HA 0.650 4.990 4.340 -0.001 0.000 0.277 323 R C -1.972 174.376 176.300 0.080 0.000 0.987 323 R CA -0.675 55.547 56.100 0.202 0.000 0.901 323 R CB 2.502 32.926 30.300 0.207 0.000 1.207 323 R HN 0.446 nan 8.270 nan 0.000 0.463 324 V N 2.357 122.270 119.914 -0.002 0.000 2.483 324 V HA 0.223 4.343 4.120 -0.001 0.000 0.297 324 V C 0.019 176.044 176.094 -0.116 0.000 1.027 324 V CA -0.874 61.402 62.300 -0.041 0.000 0.855 324 V CB 1.422 33.244 31.823 -0.001 0.000 0.995 324 V HN 0.954 nan 8.190 nan 0.000 0.424 325 N N 3.794 122.422 118.700 -0.120 0.000 2.721 325 N HA -0.247 4.493 4.740 -0.001 0.000 0.249 325 N C 1.153 176.539 175.510 -0.207 0.000 1.072 325 N CA 0.651 53.632 53.050 -0.115 0.000 0.710 325 N CB -0.760 37.690 38.487 -0.061 0.000 0.993 325 N HN 1.427 nan 8.380 nan 0.000 0.547 326 G N -0.119 108.569 108.800 -0.186 0.000 2.234 326 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.260 326 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.260 326 G C 0.130 174.676 174.900 -0.590 0.000 0.987 326 G CA 0.549 45.514 45.100 -0.225 0.000 0.625 326 G HN 0.583 nan 8.290 nan 0.000 0.532 327 R N 1.317 121.312 120.500 -0.842 0.000 2.308 327 R HA 0.513 4.853 4.340 -0.001 0.000 0.305 327 R C 0.133 176.364 176.300 -0.115 0.000 1.053 327 R CA 0.024 55.676 56.100 -0.747 0.000 0.957 327 R CB 0.349 30.272 30.300 -0.627 0.000 1.022 327 R HN 0.166 nan 8.270 nan 0.000 0.461 328 S N 2.805 118.554 115.700 0.081 0.000 2.549 328 S HA 0.187 4.656 4.470 -0.001 0.000 0.286 328 S C -0.173 174.573 174.600 0.243 0.000 1.314 328 S CA -0.452 57.916 58.200 0.279 0.000 1.062 328 S CB 0.874 64.272 63.200 0.330 0.000 0.865 328 S HN 0.492 nan 8.310 nan 0.000 0.498 329 V N 0.212 120.298 119.914 0.288 0.000 3.114 329 V HA 0.998 5.117 4.120 -0.001 0.000 0.308 329 V C -0.013 176.282 176.094 0.335 0.000 1.168 329 V CA -1.055 61.397 62.300 0.254 0.000 1.015 329 V CB 1.763 33.694 31.823 0.180 0.000 1.050 329 V HN 0.833 nan 8.190 nan 0.000 0.433 330 G N 2.147 111.122 108.800 0.291 0.000 2.368 330 G HA2 0.716 4.675 3.960 -0.001 0.000 0.320 330 G HA3 0.716 4.675 3.960 -0.001 0.000 0.320 330 G C -0.904 174.219 174.900 0.372 0.000 1.158 330 G CA -0.711 44.604 45.100 0.358 0.000 0.912 330 G HN 0.798 nan 8.290 nan 0.000 0.456 331 I N 2.130 122.885 120.570 0.308 0.000 2.354 331 I HA 0.318 4.487 4.170 -0.001 0.000 0.292 331 I C -0.493 175.667 176.117 0.071 0.000 0.989 331 I CA -0.912 60.471 61.300 0.139 0.000 1.188 331 I CB 2.174 40.182 38.000 0.013 0.000 1.342 331 I HN 0.030 nan 8.210 nan 0.000 0.457 332 V N 5.688 125.665 119.914 0.106 0.000 2.409 332 V HA 0.785 4.905 4.120 -0.001 0.000 0.291 332 V C -0.085 176.010 176.094 0.003 0.000 1.020 332 V CA -0.424 61.914 62.300 0.064 0.000 0.848 332 V CB 1.429 33.395 31.823 0.239 0.000 0.990 332 V HN 0.842 nan 8.190 nan 0.000 0.430 333 A N 4.068 126.847 122.820 -0.069 0.000 2.455 333 A HA 0.725 5.044 4.320 -0.001 0.000 0.300 333 A C -0.582 176.930 177.584 -0.119 0.000 1.040 333 A CA -0.835 51.146 52.037 -0.093 0.000 0.697 333 A CB 1.106 20.035 19.000 -0.119 0.000 1.265 333 A HN 0.829 nan 8.150 nan 0.000 0.407 334 N N 0.962 119.587 118.700 -0.125 0.000 2.508 334 N HA 0.392 5.132 4.740 -0.001 0.000 0.264 334 N C -0.252 175.133 175.510 -0.209 0.000 1.216 334 N CA -0.031 52.926 53.050 -0.155 0.000 0.943 334 N CB 0.563 38.957 38.487 -0.155 0.000 1.113 334 N HN 0.609 nan 8.380 nan 0.000 0.447 335 Q N 2.198 121.862 119.800 -0.227 0.000 2.506 335 Q HA 0.346 4.686 4.340 -0.001 0.000 0.242 335 Q C -2.310 173.501 176.000 -0.316 0.000 1.060 335 Q CA -2.211 53.423 55.803 -0.281 0.000 0.826 335 Q CB 1.360 29.972 28.738 -0.211 0.000 1.169 335 Q HN 0.355 nan 8.270 nan 0.000 0.521 336 P HA -0.148 nan 4.420 nan 0.000 0.221 336 P C 0.531 177.660 177.300 -0.285 0.000 1.145 336 P CA 1.279 64.152 63.100 -0.380 0.000 0.795 336 P CB 0.302 31.691 31.700 -0.519 0.000 0.775 337 S N -2.350 113.166 115.700 -0.307 0.000 2.607 337 S HA 0.059 4.529 4.470 -0.001 0.000 0.224 337 S C 0.644 175.161 174.600 -0.138 0.000 0.969 337 S CA 0.074 58.164 58.200 -0.184 0.000 0.927 337 S CB -0.641 62.463 63.200 -0.160 0.000 0.772 337 S HN -0.112 nan 8.310 nan 0.000 0.533 338 V N 2.183 122.005 119.914 -0.153 0.000 2.443 338 V HA 0.410 4.530 4.120 -0.001 0.000 0.293 338 V C 0.033 176.053 176.094 -0.122 0.000 1.021 338 V CA -0.773 61.453 62.300 -0.124 0.000 0.848 338 V CB 0.831 32.578 31.823 -0.126 0.000 0.998 338 V HN 0.508 nan 8.190 nan 0.000 0.424 339 M N 3.013 122.554 119.600 -0.100 0.000 2.393 339 M HA -0.260 4.220 4.480 -0.001 0.000 0.201 339 M C 0.930 177.170 176.300 -0.100 0.000 0.403 339 M CA 0.911 56.156 55.300 -0.091 0.000 0.471 339 M CB -1.582 30.961 32.600 -0.094 0.000 1.669 339 M HN 0.869 nan 8.290 nan 0.000 0.864 340 S N -1.987 113.650 115.700 -0.106 0.000 3.358 340 S HA -0.191 4.279 4.470 -0.001 0.000 0.309 340 S C 1.214 175.725 174.600 -0.148 0.000 1.247 340 S CA 1.511 59.642 58.200 -0.115 0.000 0.961 340 S CB -1.661 61.483 63.200 -0.093 0.000 1.074 340 S HN 1.695 nan 8.310 nan 0.000 0.625 341 G N -1.041 107.662 108.800 -0.163 0.000 2.162 341 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.260 341 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.260 341 G C 0.380 175.175 174.900 -0.175 0.000 0.976 341 G CA 0.098 45.088 45.100 -0.183 0.000 0.655 341 G HN 1.021 nan 8.290 nan 0.000 0.533 342 C N 0.767 119.975 119.300 -0.154 0.000 2.665 342 C HA 0.467 4.927 4.460 -0.001 0.000 0.416 342 C C 1.450 176.345 174.990 -0.158 0.000 1.305 342 C CA -0.316 58.607 59.018 -0.158 0.000 1.903 342 C CB -0.285 27.396 27.740 -0.099 0.000 2.704 342 C HN 0.482 nan 8.230 nan 0.000 0.629 343 L N 3.902 124.989 121.223 -0.227 0.000 2.379 343 L HA 0.500 4.840 4.340 -0.001 0.000 0.269 343 L C 0.149 177.054 176.870 0.059 0.000 1.084 343 L CA 0.150 54.907 54.840 -0.139 0.000 0.802 343 L CB 0.980 42.863 42.059 -0.294 0.000 1.175 343 L HN 0.802 nan 8.230 nan 0.000 0.448 344 D N 0.689 121.150 120.400 0.102 0.000 2.752 344 D HA 0.239 4.878 4.640 -0.001 0.000 0.313 344 D C 0.808 177.151 176.300 0.073 0.000 1.225 344 D CA -0.679 53.387 54.000 0.110 0.000 0.976 344 D CB 0.724 41.523 40.800 -0.002 0.000 1.443 344 D HN 0.297 nan 8.370 nan 0.000 0.515 345 I N 0.040 120.600 120.570 -0.016 0.000 2.091 345 I HA -0.323 3.847 4.170 -0.001 0.000 0.239 345 I C 1.748 177.830 176.117 -0.058 0.000 1.061 345 I CA 1.600 62.837 61.300 -0.105 0.000 1.317 345 I CB -0.508 37.308 38.000 -0.307 0.000 1.031 345 I HN 0.311 nan 8.210 nan 0.000 0.401 346 N N 0.980 119.626 118.700 -0.090 0.000 2.166 346 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 346 N C 1.799 177.272 175.510 -0.062 0.000 1.019 346 N CA 1.615 54.617 53.050 -0.079 0.000 0.856 346 N CB -0.501 37.772 38.487 -0.356 0.000 0.993 346 N HN 0.397 nan 8.380 nan 0.000 0.426 347 A N 0.158 122.920 122.820 -0.095 0.000 1.969 347 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 347 A C 2.396 180.012 177.584 0.053 0.000 1.169 347 A CA 1.363 53.368 52.037 -0.054 0.000 0.635 347 A CB -0.515 18.442 19.000 -0.072 0.000 0.810 347 A HN 0.234 nan 8.150 nan 0.000 0.445 348 S N 0.271 116.032 115.700 0.103 0.000 2.355 348 S HA -0.139 4.331 4.470 -0.001 0.000 0.222 348 S C 1.608 176.312 174.600 0.173 0.000 1.031 348 S CA 1.365 59.662 58.200 0.163 0.000 0.993 348 S CB -0.366 62.953 63.200 0.198 0.000 0.859 348 S HN 0.597 nan 8.310 nan 0.000 0.453 349 D N 1.112 121.628 120.400 0.193 0.000 2.117 349 D HA -0.090 4.550 4.640 -0.001 0.000 0.197 349 D C 1.921 178.340 176.300 0.199 0.000 0.987 349 D CA 0.982 55.116 54.000 0.222 0.000 0.829 349 D CB -0.265 40.685 40.800 0.250 0.000 0.961 349 D HN 0.370 nan 8.370 nan 0.000 0.460 350 K N 0.715 121.231 120.400 0.194 0.000 2.032 350 K HA -0.144 4.176 4.320 -0.001 0.000 0.209 350 K C 1.980 178.657 176.600 0.128 0.000 1.048 350 K CA 1.488 57.870 56.287 0.158 0.000 0.927 350 K CB -0.032 32.542 32.500 0.124 0.000 0.712 350 K HN 0.028 nan 8.250 nan 0.000 0.441 351 A N 0.997 123.888 122.820 0.117 0.000 1.855 351 A HA -0.024 4.295 4.320 -0.001 0.000 0.215 351 A C 2.382 180.046 177.584 0.133 0.000 1.191 351 A CA 1.709 53.822 52.037 0.127 0.000 0.613 351 A CB -0.987 18.086 19.000 0.122 0.000 0.829 351 A HN 0.487 nan 8.150 nan 0.000 0.442 352 A N -0.259 122.646 122.820 0.142 0.000 1.917 352 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 352 A C 2.067 179.743 177.584 0.153 0.000 1.182 352 A CA 2.030 54.168 52.037 0.167 0.000 0.633 352 A CB -0.633 18.559 19.000 0.321 0.000 0.819 352 A HN 0.698 nan 8.150 nan 0.000 0.448 353 E N -1.554 118.750 120.200 0.173 0.000 2.077 353 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 353 E C 1.814 178.522 176.600 0.180 0.000 0.989 353 E CA 1.337 57.815 56.400 0.130 0.000 0.800 353 E CB -0.265 29.517 29.700 0.136 0.000 0.746 353 E HN 0.578 nan 8.360 nan 0.000 0.452 354 F N 0.913 120.896 119.950 0.054 0.000 2.102 354 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 354 F C 2.098 177.956 175.800 0.097 0.000 1.105 354 F CA 1.188 59.234 58.000 0.077 0.000 1.239 354 F CB -0.452 38.544 39.000 -0.006 0.000 0.991 354 F HN -0.121 nan 8.300 nan 0.000 0.474 355 V N 0.690 120.629 119.914 0.041 0.000 2.255 355 V HA -0.381 3.738 4.120 -0.001 0.000 0.247 355 V C 2.216 178.239 176.094 -0.120 0.000 1.051 355 V CA 2.377 64.581 62.300 -0.161 0.000 1.018 355 V CB -1.069 30.495 31.823 -0.432 0.000 0.641 355 V HN 0.465 nan 8.190 nan 0.000 0.445 356 N N -0.304 118.358 118.700 -0.062 0.000 2.104 356 N HA -0.248 4.492 4.740 -0.001 0.000 0.190 356 N C 1.711 177.189 175.510 -0.055 0.000 1.024 356 N CA 1.965 54.969 53.050 -0.076 0.000 0.853 356 N CB -0.326 38.078 38.487 -0.139 0.000 1.008 356 N HN 0.459 nan 8.380 nan 0.000 0.424 357 F N 0.595 120.498 119.950 -0.079 0.000 2.102 357 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 357 F C 2.271 178.133 175.800 0.104 0.000 1.105 357 F CA 1.232 59.252 58.000 0.032 0.000 1.239 357 F CB -0.749 38.276 39.000 0.043 0.000 0.991 357 F HN 0.144 nan 8.300 nan 0.000 0.474 358 C N 0.458 119.754 119.300 -0.007 0.000 2.413 358 C HA -0.202 4.258 4.460 -0.001 0.000 0.276 358 C C 2.558 177.484 174.990 -0.107 0.000 1.248 358 C CA 1.631 60.626 59.018 -0.038 0.000 1.742 358 C CB -1.283 26.378 27.740 -0.131 0.000 2.017 358 C HN 0.644 nan 8.230 nan 0.000 0.481 359 D N 0.548 120.873 120.400 -0.124 0.000 2.117 359 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 359 D C 2.200 178.373 176.300 -0.212 0.000 0.987 359 D CA 1.686 55.613 54.000 -0.120 0.000 0.829 359 D CB -0.082 40.659 40.800 -0.099 0.000 0.961 359 D HN 0.334 nan 8.370 nan 0.000 0.460 360 S N -1.100 114.398 115.700 -0.336 0.000 2.383 360 S HA -0.122 4.348 4.470 -0.001 0.000 0.229 360 S C 1.052 175.148 174.600 -0.840 0.000 1.030 360 S CA 0.798 58.648 58.200 -0.583 0.000 1.002 360 S CB -0.297 62.472 63.200 -0.718 0.000 0.829 360 S HN 0.336 nan 8.310 nan 0.000 0.467 361 F N 1.653 121.387 119.950 -0.361 0.000 2.750 361 F HA 0.359 4.886 4.527 -0.001 0.000 0.297 361 F C 0.450 176.185 175.800 -0.109 0.000 1.138 361 F CA -0.550 57.301 58.000 -0.249 0.000 1.346 361 F CB -0.239 38.545 39.000 -0.361 0.000 0.965 361 F HN 0.014 nan 8.300 nan 0.000 0.514 362 N N 1.049 119.737 118.700 -0.019 0.000 2.735 362 N HA -0.225 4.515 4.740 -0.001 0.000 0.248 362 N C -0.459 175.111 175.510 0.100 0.000 1.083 362 N CA 0.632 53.706 53.050 0.040 0.000 0.703 362 N CB -1.702 36.821 38.487 0.059 0.000 1.005 362 N HN 0.379 nan 8.380 nan 0.000 0.550 363 I N 0.933 121.566 120.570 0.105 0.000 2.321 363 I HA 0.260 4.430 4.170 -0.001 0.000 0.291 363 I C -2.008 174.186 176.117 0.128 0.000 0.998 363 I CA -1.888 59.508 61.300 0.160 0.000 1.227 363 I CB 1.401 39.547 38.000 0.243 0.000 1.368 363 I HN -0.287 nan 8.210 nan 0.000 0.466 364 P HA 0.148 nan 4.420 nan 0.000 0.269 364 P C -0.944 176.436 177.300 0.134 0.000 1.215 364 P CA -0.038 63.137 63.100 0.125 0.000 0.780 364 P CB 0.563 32.343 31.700 0.134 0.000 0.898 365 L N 2.297 123.598 121.223 0.130 0.000 2.305 365 L HA 0.429 4.769 4.340 -0.001 0.000 0.284 365 L C -0.553 176.409 176.870 0.154 0.000 1.013 365 L CA -0.796 54.146 54.840 0.170 0.000 0.819 365 L CB 1.699 43.901 42.059 0.237 0.000 1.227 365 L HN 0.043 nan 8.230 nan 0.000 0.417 366 V N 3.075 123.084 119.914 0.158 0.000 2.384 366 V HA 0.377 4.497 4.120 -0.001 0.000 0.287 366 V C -0.381 175.771 176.094 0.097 0.000 1.020 366 V CA -0.695 61.672 62.300 0.112 0.000 0.850 366 V CB 1.664 33.551 31.823 0.106 0.000 0.987 366 V HN 0.652 nan 8.190 nan 0.000 0.436 367 Q N 4.323 124.150 119.800 0.046 0.000 2.256 367 Q HA 0.681 5.020 4.340 -0.001 0.000 0.257 367 Q C -0.947 175.037 176.000 -0.027 0.000 0.936 367 Q CA -0.158 55.652 55.803 0.011 0.000 0.903 367 Q CB 2.079 30.779 28.738 -0.063 0.000 1.263 367 Q HN 0.649 nan 8.270 nan 0.000 0.440 368 L N 2.380 123.572 121.223 -0.052 0.000 2.318 368 L HA 0.548 4.888 4.340 -0.001 0.000 0.277 368 L C -0.967 175.834 176.870 -0.114 0.000 1.008 368 L CA -1.017 53.756 54.840 -0.111 0.000 0.846 368 L CB 1.315 43.303 42.059 -0.118 0.000 1.220 368 L HN 0.299 nan 8.230 nan 0.000 0.423 369 V N 1.857 121.696 119.914 -0.125 0.000 2.394 369 V HA 0.436 4.555 4.120 -0.001 0.000 0.282 369 V C -0.434 175.587 176.094 -0.121 0.000 1.031 369 V CA -0.252 61.992 62.300 -0.093 0.000 0.881 369 V CB 1.681 33.494 31.823 -0.016 0.000 0.982 369 V HN 0.655 nan 8.190 nan 0.000 0.451 370 D N 3.583 123.915 120.400 -0.113 0.000 2.826 370 D HA 0.210 4.849 4.640 -0.001 0.000 0.239 370 D C -1.590 174.615 176.300 -0.159 0.000 1.329 370 D CA -0.002 53.927 54.000 -0.120 0.000 0.854 370 D CB 1.558 42.330 40.800 -0.046 0.000 1.494 370 D HN 0.366 nan 8.370 nan 0.000 0.540 371 V N 4.592 124.398 119.914 -0.180 0.000 2.525 371 V HA 0.571 4.690 4.120 -0.001 0.000 0.299 371 V C -1.986 173.941 176.094 -0.278 0.000 1.034 371 V CA -1.947 60.228 62.300 -0.209 0.000 0.863 371 V CB 2.646 34.362 31.823 -0.178 0.000 0.999 371 V HN 0.172 nan 8.190 nan 0.000 0.423 372 P HA 0.314 nan 4.420 nan 0.000 0.245 372 P C 0.549 177.786 177.300 -0.105 0.000 1.206 372 P CA 1.232 64.119 63.100 -0.356 0.000 0.781 372 P CB 0.608 32.147 31.700 -0.267 0.000 0.994 373 G N -0.565 108.144 108.800 -0.152 0.000 2.340 373 G HA2 0.109 4.069 3.960 -0.001 0.000 0.282 373 G HA3 0.109 4.069 3.960 -0.001 0.000 0.282 373 G C -1.617 173.096 174.900 -0.311 0.000 1.312 373 G CA -0.972 44.047 45.100 -0.136 0.000 0.942 373 G HN -0.040 nan 8.290 nan 0.000 0.495 374 F N -0.105 119.856 119.950 0.019 0.000 2.377 374 F HA 0.632 5.158 4.527 -0.002 0.000 0.328 374 F C 0.874 176.665 175.800 -0.016 0.000 1.094 374 F CA -0.588 57.411 58.000 -0.002 0.000 1.093 374 F CB 1.461 40.464 39.000 0.004 0.000 1.214 374 F HN 0.424 nan 8.300 nan 0.000 0.518 375 L N 5.026 126.331 121.223 0.137 0.000 2.534 375 L HA 0.243 4.583 4.340 -0.001 0.000 0.271 375 L C -2.433 174.469 176.870 0.053 0.000 1.178 375 L CA -1.331 53.541 54.840 0.053 0.000 0.907 375 L CB -0.378 41.690 42.059 0.016 0.000 1.164 375 L HN 0.278 nan 8.230 nan 0.000 0.482 376 P HA 0.576 nan 4.420 nan 0.000 0.275 376 P C -0.739 176.548 177.300 -0.022 0.000 1.227 376 P CA -0.306 62.798 63.100 0.008 0.000 0.781 376 P CB 1.251 32.953 31.700 0.004 0.000 0.906 377 G N 0.447 109.219 108.800 -0.046 0.000 2.341 377 G HA2 0.125 4.085 3.960 -0.001 0.000 0.300 377 G HA3 0.125 4.085 3.960 -0.001 0.000 0.300 377 G C 0.288 175.111 174.900 -0.129 0.000 1.706 377 G CA -0.689 44.366 45.100 -0.075 0.000 0.916 377 G HN 0.238 nan 8.290 nan 0.000 0.716 378 V N 1.517 121.318 119.914 -0.189 0.000 2.332 378 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 378 V C 2.810 178.676 176.094 -0.380 0.000 1.055 378 V CA 2.290 64.367 62.300 -0.371 0.000 1.038 378 V CB -0.218 31.349 31.823 -0.426 0.000 0.651 378 V HN 0.694 nan 8.190 nan 0.000 0.450 379 Q N -0.735 118.955 119.800 -0.184 0.000 2.291 379 Q HA -0.138 4.202 4.340 -0.001 0.000 0.205 379 Q C 2.277 178.256 176.000 -0.034 0.000 0.970 379 Q CA 1.057 56.824 55.803 -0.060 0.000 0.876 379 Q CB -0.305 28.419 28.738 -0.022 0.000 0.935 379 Q HN 0.621 nan 8.270 nan 0.000 0.455 380 Q N 0.235 119.997 119.800 -0.063 0.000 2.083 380 Q HA -0.104 4.236 4.340 -0.001 0.000 0.198 380 Q C 1.783 177.765 176.000 -0.029 0.000 0.969 380 Q CA 0.860 56.636 55.803 -0.045 0.000 0.838 380 Q CB 0.189 28.906 28.738 -0.034 0.000 0.900 380 Q HN 0.409 nan 8.270 nan 0.000 0.436 381 E N -0.053 120.116 120.200 -0.051 0.000 2.047 381 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 381 E C 1.959 178.648 176.600 0.148 0.000 0.987 381 E CA 0.872 57.271 56.400 -0.002 0.000 0.799 381 E CB -0.327 29.335 29.700 -0.063 0.000 0.752 381 E HN 0.381 nan 8.360 nan 0.000 0.449 382 Y N 0.698 120.986 120.300 -0.020 0.000 2.421 382 Y HA 0.011 4.559 4.550 -0.003 0.000 0.292 382 Y C 2.381 178.275 175.900 -0.010 0.000 1.136 382 Y CA 0.871 58.962 58.100 -0.014 0.000 1.255 382 Y CB -0.942 37.509 38.460 -0.014 0.000 0.991 382 Y HN 0.056 nan 8.280 nan 0.000 0.552 383 G N -1.172 107.711 108.800 0.137 0.000 2.920 383 G HA2 0.274 4.234 3.960 -0.001 0.000 0.208 383 G HA3 0.274 4.234 3.960 -0.001 0.000 0.208 383 G C 1.163 176.108 174.900 0.075 0.000 1.159 383 G CA 0.342 45.473 45.100 0.053 0.000 0.784 383 G HN 0.526 nan 8.290 nan 0.000 0.535 384 G N 0.156 109.022 108.800 0.110 0.000 2.248 384 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.252 384 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.252 384 G C 0.894 175.913 174.900 0.197 0.000 1.085 384 G CA 0.234 45.430 45.100 0.161 0.000 0.845 384 G HN 0.520 nan 8.290 nan 0.000 0.494 385 I N 0.045 120.642 120.570 0.045 0.000 2.335 385 I HA -0.087 4.082 4.170 -0.001 0.000 0.251 385 I C 2.430 178.496 176.117 -0.085 0.000 1.129 385 I CA 1.543 62.827 61.300 -0.027 0.000 1.402 385 I CB -0.236 37.701 38.000 -0.105 0.000 1.069 385 I HN 0.536 nan 8.210 nan 0.000 0.424 386 I N 1.058 121.580 120.570 -0.080 0.000 2.127 386 I HA -0.333 3.836 4.170 -0.001 0.000 0.241 386 I C 2.685 178.743 176.117 -0.098 0.000 1.075 386 I CA 1.984 63.215 61.300 -0.115 0.000 1.334 386 I CB -0.552 37.402 38.000 -0.077 0.000 1.040 386 I HN 0.314 nan 8.210 nan 0.000 0.405 387 R N 0.041 120.499 120.500 -0.071 0.000 2.153 387 R HA -0.112 4.228 4.340 -0.001 0.000 0.218 387 R C 1.953 178.121 176.300 -0.219 0.000 1.072 387 R CA 1.336 57.340 56.100 -0.159 0.000 0.990 387 R CB -0.704 29.477 30.300 -0.198 0.000 0.889 387 R HN 0.398 nan 8.270 nan 0.000 0.452 388 H N 0.707 119.710 119.070 -0.111 0.000 2.372 388 H HA 0.123 4.679 4.556 -0.000 0.000 0.301 388 H C 2.304 177.592 175.328 -0.066 0.000 1.065 388 H CA 1.717 57.715 56.048 -0.084 0.000 1.364 388 H CB -0.293 29.451 29.762 -0.031 0.000 1.406 388 H HN 0.433 nan 8.280 nan 0.000 0.521 389 G N 0.315 109.136 108.800 0.035 0.000 2.422 389 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 389 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 389 G C 1.867 176.775 174.900 0.014 0.000 1.146 389 G CA 0.777 45.886 45.100 0.015 0.000 0.769 389 G HN 0.512 nan 8.290 nan 0.000 0.547 390 A N 0.769 123.551 122.820 -0.064 0.000 2.070 390 A HA -0.008 4.311 4.320 -0.001 0.000 0.220 390 A C 2.256 179.806 177.584 -0.057 0.000 1.159 390 A CA 1.816 53.821 52.037 -0.053 0.000 0.656 390 A CB -0.296 18.644 19.000 -0.100 0.000 0.800 390 A HN 0.430 nan 8.150 nan 0.000 0.453 391 K N -0.863 119.449 120.400 -0.146 0.000 2.147 391 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 391 K C 1.936 178.605 176.600 0.115 0.000 1.049 391 K CA 1.536 57.689 56.287 -0.223 0.000 0.936 391 K CB -0.258 32.090 32.500 -0.254 0.000 0.722 391 K HN 0.525 nan 8.250 nan 0.000 0.446 392 M N 0.567 120.254 119.600 0.145 0.000 2.156 392 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 392 M C 2.077 178.529 176.300 0.254 0.000 1.067 392 M CA 1.471 56.892 55.300 0.201 0.000 1.131 392 M CB -0.250 32.502 32.600 0.253 0.000 1.368 392 M HN 0.086 nan 8.290 nan 0.000 0.416 393 L N -1.480 119.871 121.223 0.212 0.000 2.046 393 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 393 L C 2.520 179.496 176.870 0.176 0.000 1.077 393 L CA 1.437 56.386 54.840 0.182 0.000 0.747 393 L CB -0.838 41.290 42.059 0.115 0.000 0.896 393 L HN 0.246 nan 8.230 nan 0.000 0.432 394 Y N 0.588 120.930 120.300 0.069 0.000 2.133 394 Y HA -0.259 4.290 4.550 -0.001 0.000 0.287 394 Y C 2.564 178.557 175.900 0.155 0.000 1.134 394 Y CA 1.492 59.646 58.100 0.090 0.000 1.133 394 Y CB -0.172 38.310 38.460 0.036 0.000 0.987 394 Y HN 0.089 nan 8.280 nan 0.000 0.502 395 A N -0.479 122.599 122.820 0.430 0.000 1.883 395 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 395 A C 2.078 179.679 177.584 0.028 0.000 1.186 395 A CA 1.892 54.074 52.037 0.243 0.000 0.624 395 A CB -1.518 17.569 19.000 0.145 0.000 0.822 395 A HN 0.699 nan 8.150 nan 0.000 0.444 396 Y N 0.334 120.684 120.300 0.085 0.000 2.163 396 Y HA -0.175 4.374 4.550 -0.001 0.000 0.288 396 Y C 3.099 178.975 175.900 -0.041 0.000 1.136 396 Y CA 1.307 59.417 58.100 0.016 0.000 1.147 396 Y CB -0.095 38.369 38.460 0.008 0.000 0.987 396 Y HN 0.301 nan 8.280 nan 0.000 0.509 397 S N -0.248 115.508 115.700 0.094 0.000 2.382 397 S HA -0.244 4.226 4.470 -0.001 0.000 0.228 397 S C 1.822 176.361 174.600 -0.102 0.000 1.027 397 S CA 1.675 59.855 58.200 -0.032 0.000 0.991 397 S CB -0.282 62.865 63.200 -0.088 0.000 0.823 397 S HN 0.462 nan 8.310 nan 0.000 0.469 398 E N 1.948 122.043 120.200 -0.175 0.000 2.158 398 E HA 0.168 4.518 4.350 -0.001 0.000 0.191 398 E C 0.673 177.229 176.600 -0.073 0.000 0.982 398 E CA 0.572 56.862 56.400 -0.183 0.000 0.823 398 E CB -0.262 29.284 29.700 -0.257 0.000 0.766 398 E HN 0.415 nan 8.360 nan 0.000 0.468 399 A N 0.238 123.041 122.820 -0.027 0.000 2.511 399 A HA 0.207 4.527 4.320 -0.001 0.000 0.242 399 A C 0.930 178.511 177.584 -0.005 0.000 1.069 399 A CA 0.666 52.698 52.037 -0.008 0.000 0.763 399 A CB 0.101 19.120 19.000 0.031 0.000 1.001 399 A HN 0.417 nan 8.150 nan 0.000 0.498 400 T N -0.481 114.065 114.554 -0.014 0.000 3.040 400 T HA 0.314 4.663 4.350 -0.001 0.000 0.266 400 T C 0.570 175.274 174.700 0.007 0.000 1.005 400 T CA 0.471 62.566 62.100 -0.008 0.000 0.906 400 T CB -1.202 67.657 68.868 -0.015 0.000 1.082 400 T HN 1.128 nan 8.240 nan 0.000 0.531 401 V N -0.580 119.341 119.914 0.012 0.000 3.319 401 V HA 0.461 4.580 4.120 -0.001 0.000 0.303 401 V C -2.754 173.362 176.094 0.037 0.000 1.094 401 V CA -2.419 59.901 62.300 0.034 0.000 1.106 401 V CB -0.345 31.502 31.823 0.039 0.000 1.099 401 V HN -0.032 nan 8.190 nan 0.000 0.476 402 P HA 0.238 nan 4.420 nan 0.000 0.265 402 P C -0.876 176.428 177.300 0.006 0.000 1.193 402 P CA 0.280 63.394 63.100 0.023 0.000 0.765 402 P CB 0.177 31.945 31.700 0.113 0.000 0.823 403 K N 3.671 124.027 120.400 -0.074 0.000 2.483 403 K HA 0.471 4.790 4.320 -0.001 0.000 0.256 403 K C -0.787 175.752 176.600 -0.102 0.000 0.961 403 K CA -0.532 55.730 56.287 -0.043 0.000 0.873 403 K CB 1.316 33.791 32.500 -0.042 0.000 1.107 403 K HN 0.329 nan 8.250 nan 0.000 0.432 404 I N 2.679 123.231 120.570 -0.031 0.000 2.406 404 I HA 0.303 4.473 4.170 -0.001 0.000 0.290 404 I C -0.127 175.983 176.117 -0.011 0.000 0.999 404 I CA -0.540 60.751 61.300 -0.015 0.000 1.124 404 I CB 1.574 39.627 38.000 0.088 0.000 1.289 404 I HN 0.476 nan 8.210 nan 0.000 0.441 405 T N 5.553 120.075 114.554 -0.052 0.000 2.824 405 T HA 0.609 4.959 4.350 -0.001 0.000 0.282 405 T C -0.259 174.449 174.700 0.012 0.000 0.993 405 T CA -0.478 61.594 62.100 -0.047 0.000 0.967 405 T CB 2.368 71.169 68.868 -0.112 0.000 0.960 405 T HN 0.231 nan 8.240 nan 0.000 0.441 406 V N 3.693 123.619 119.914 0.021 0.000 2.444 406 V HA 0.388 4.508 4.120 -0.001 0.000 0.294 406 V C -0.172 175.862 176.094 -0.100 0.000 1.022 406 V CA -0.828 61.490 62.300 0.031 0.000 0.850 406 V CB 1.859 33.703 31.823 0.035 0.000 0.992 406 V HN 0.728 nan 8.190 nan 0.000 0.426 407 V N 6.753 126.621 119.914 -0.077 0.000 2.353 407 V HA 0.247 4.367 4.120 -0.001 0.000 0.264 407 V C 1.080 177.015 176.094 -0.266 0.000 1.049 407 V CA -0.045 62.179 62.300 -0.126 0.000 0.896 407 V CB 1.018 32.805 31.823 -0.061 0.000 1.025 407 V HN 0.757 nan 8.190 nan 0.000 0.475 408 L N 3.382 124.352 121.223 -0.421 0.000 2.068 408 L HA 0.099 4.438 4.340 -0.001 0.000 0.204 408 L C 1.904 178.650 176.870 -0.206 0.000 1.076 408 L CA 1.419 55.880 54.840 -0.631 0.000 0.753 408 L CB -0.147 41.509 42.059 -0.672 0.000 0.910 408 L HN 0.665 nan 8.230 nan 0.000 0.439 409 R N -0.925 119.496 120.500 -0.132 0.000 2.969 409 R HA 0.232 4.572 4.340 -0.001 0.000 0.094 409 R C -0.538 175.708 176.300 -0.091 0.000 0.687 409 R CA -0.626 55.439 56.100 -0.058 0.000 0.508 409 R CB 0.535 30.822 30.300 -0.021 0.000 0.445 409 R HN -0.165 nan 8.270 nan 0.000 0.332 410 K N 0.694 121.004 120.400 -0.150 0.000 2.436 410 K HA 0.333 4.652 4.320 -0.001 0.000 0.275 410 K C -0.965 175.502 176.600 -0.223 0.000 0.999 410 K CA 0.668 56.779 56.287 -0.293 0.000 0.980 410 K CB 1.258 33.427 32.500 -0.552 0.000 0.919 410 K HN 0.466 nan 8.250 nan 0.000 0.484 411 A N 3.816 126.557 122.820 -0.131 0.000 3.307 411 A HA 0.240 4.559 4.320 -0.001 0.000 0.289 411 A C -1.549 176.114 177.584 0.131 0.000 1.138 411 A CA -0.725 51.251 52.037 -0.102 0.000 0.860 411 A CB 0.240 18.960 19.000 -0.467 0.000 1.318 411 A HN 0.480 nan 8.150 nan 0.000 0.551 412 Y N 0.776 121.046 120.300 -0.050 0.000 2.313 412 Y HA 0.548 5.097 4.550 -0.002 0.000 0.332 412 Y C 1.472 177.410 175.900 0.065 0.000 1.071 412 Y CA 0.104 58.200 58.100 -0.007 0.000 1.169 412 Y CB 0.864 39.316 38.460 -0.014 0.000 1.192 412 Y HN 1.056 nan 8.280 nan 0.000 0.487 413 G N 2.461 111.384 108.800 0.204 0.000 2.629 413 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.335 413 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.335 413 G C 1.393 176.428 174.900 0.224 0.000 1.347 413 G CA 0.563 45.770 45.100 0.179 0.000 0.979 413 G HN 1.096 nan 8.290 nan 0.000 0.534 414 G N -0.376 108.565 108.800 0.235 0.000 2.450 414 G HA2 0.005 3.964 3.960 -0.001 0.000 0.220 414 G HA3 0.005 3.964 3.960 -0.001 0.000 0.220 414 G C 2.270 177.354 174.900 0.308 0.000 1.130 414 G CA 2.531 47.804 45.100 0.289 0.000 0.760 414 G HN 1.916 nan 8.290 nan 0.000 0.557 415 S N -0.544 115.237 115.700 0.136 0.000 2.402 415 S HA -0.153 4.316 4.470 -0.001 0.000 0.229 415 S C 2.098 176.677 174.600 -0.035 0.000 1.021 415 S CA 1.252 59.284 58.200 -0.279 0.000 0.974 415 S CB -0.598 62.215 63.200 -0.644 0.000 0.800 415 S HN 0.629 nan 8.310 nan 0.000 0.484 416 Y N 2.125 122.399 120.300 -0.044 0.000 2.220 416 Y HA 0.110 4.659 4.550 -0.001 0.000 0.291 416 Y C 2.001 177.884 175.900 -0.029 0.000 1.129 416 Y CA 1.118 59.196 58.100 -0.037 0.000 1.161 416 Y CB -0.269 38.194 38.460 0.005 0.000 0.997 416 Y HN 0.171 nan 8.280 nan 0.000 0.522 417 L N 0.537 121.623 121.223 -0.229 0.000 2.083 417 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 417 L C 2.833 179.601 176.870 -0.170 0.000 1.083 417 L CA 1.125 55.774 54.840 -0.317 0.000 0.752 417 L CB -0.947 41.049 42.059 -0.105 0.000 0.899 417 L HN 0.399 nan 8.230 nan 0.000 0.433 418 A N -0.758 122.060 122.820 -0.003 0.000 2.067 418 A HA -0.125 4.195 4.320 -0.001 0.000 0.219 418 A C 1.971 179.600 177.584 0.075 0.000 1.158 418 A CA 1.134 53.241 52.037 0.117 0.000 0.661 418 A CB -0.250 18.893 19.000 0.238 0.000 0.801 418 A HN 0.297 nan 8.150 nan 0.000 0.452 419 M N -1.375 118.171 119.600 -0.090 0.000 2.608 419 M HA 0.159 4.638 4.480 -0.001 0.000 0.224 419 M C 0.495 176.501 176.300 -0.490 0.000 1.204 419 M CA -0.350 54.849 55.300 -0.167 0.000 0.984 419 M CB -1.428 31.128 32.600 -0.073 0.000 1.691 419 M HN 0.545 nan 8.290 nan 0.000 0.469 420 C N 4.043 122.956 119.300 -0.644 0.000 2.910 420 C HA -0.159 4.301 4.460 -0.001 0.000 0.282 420 C C 0.626 175.322 174.990 -0.490 0.000 1.027 420 C CA -0.079 58.502 59.018 -0.729 0.000 2.632 420 C CB -2.112 24.817 27.740 -1.351 0.000 1.573 420 C HN 0.847 nan 8.230 nan 0.000 0.443 421 N N 2.517 120.923 118.700 -0.490 0.000 2.431 421 N HA 0.333 5.073 4.740 -0.001 0.000 0.289 421 N C 1.053 176.409 175.510 -0.258 0.000 1.277 421 N CA 0.230 53.020 53.050 -0.433 0.000 0.972 421 N CB 0.182 38.207 38.487 -0.770 0.000 1.143 421 N HN 0.653 nan 8.380 nan 0.000 0.578 422 R N -0.369 120.033 120.500 -0.163 0.000 2.096 422 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 422 R C 0.972 177.204 176.300 -0.113 0.000 1.127 422 R CA 1.671 57.696 56.100 -0.125 0.000 0.968 422 R CB -0.586 29.667 30.300 -0.078 0.000 0.861 422 R HN 0.590 nan 8.270 nan 0.000 0.440 423 D N -0.202 120.131 120.400 -0.112 0.000 2.218 423 D HA -0.135 4.505 4.640 -0.001 0.000 0.204 423 D C 0.850 177.094 176.300 -0.093 0.000 0.976 423 D CA 0.956 54.904 54.000 -0.087 0.000 0.853 423 D CB 0.101 40.856 40.800 -0.076 0.000 0.939 423 D HN 0.218 nan 8.370 nan 0.000 0.481 424 L N -0.399 120.747 121.223 -0.130 0.000 2.653 424 L HA 0.231 4.571 4.340 -0.001 0.000 0.232 424 L C 1.438 178.255 176.870 -0.089 0.000 1.169 424 L CA 0.325 55.104 54.840 -0.101 0.000 0.951 424 L CB 0.204 42.194 42.059 -0.115 0.000 1.181 424 L HN 0.105 nan 8.230 nan 0.000 0.460 425 G N -1.336 107.404 108.800 -0.100 0.000 2.157 425 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.239 425 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.239 425 G C 0.530 175.352 174.900 -0.131 0.000 0.982 425 G CA -0.112 44.933 45.100 -0.093 0.000 0.650 425 G HN 0.602 nan 8.290 nan 0.000 0.527 426 A N 0.317 123.037 122.820 -0.168 0.000 2.546 426 A HA 0.473 4.793 4.320 -0.001 0.000 0.243 426 A C 1.260 178.705 177.584 -0.232 0.000 1.063 426 A CA 0.968 52.884 52.037 -0.202 0.000 0.757 426 A CB 0.255 19.127 19.000 -0.214 0.000 0.991 426 A HN 0.292 nan 8.150 nan 0.000 0.503 427 D N 1.108 121.307 120.400 -0.336 0.000 2.234 427 D HA 0.198 4.838 4.640 -0.001 0.000 0.205 427 D C 0.654 176.704 176.300 -0.416 0.000 0.962 427 D CA 1.730 55.401 54.000 -0.548 0.000 0.855 427 D CB 0.224 40.298 40.800 -1.211 0.000 0.951 427 D HN 0.687 nan 8.370 nan 0.000 0.500 428 A N 0.509 123.134 122.820 -0.324 0.000 2.488 428 A HA 0.544 4.863 4.320 -0.001 0.000 0.298 428 A C -1.101 176.229 177.584 -0.423 0.000 1.044 428 A CA -0.529 51.317 52.037 -0.320 0.000 0.693 428 A CB 2.059 20.959 19.000 -0.166 0.000 1.272 428 A HN -0.090 nan 8.150 nan 0.000 0.402 429 V N 2.412 121.991 119.914 -0.558 0.000 2.577 429 V HA 0.542 4.662 4.120 -0.001 0.000 0.303 429 V C -1.402 174.354 176.094 -0.563 0.000 1.042 429 V CA -0.418 61.639 62.300 -0.405 0.000 0.872 429 V CB 1.342 33.058 31.823 -0.177 0.000 0.998 429 V HN 0.819 nan 8.190 nan 0.000 0.423 430 Y N 2.023 122.350 120.300 0.044 0.000 2.462 430 Y HA 0.798 5.347 4.550 -0.001 0.000 0.346 430 Y C 0.310 176.251 175.900 0.069 0.000 0.976 430 Y CA -0.846 57.294 58.100 0.067 0.000 1.044 430 Y CB 2.278 40.800 38.460 0.104 0.000 1.230 430 Y HN 0.712 nan 8.280 nan 0.000 0.455 431 A N 2.457 125.411 122.820 0.223 0.000 2.318 431 A HA 0.590 4.910 4.320 -0.001 0.000 0.324 431 A C -1.410 176.330 177.584 0.260 0.000 1.170 431 A CA -0.636 51.492 52.037 0.151 0.000 0.810 431 A CB 0.453 19.473 19.000 0.033 0.000 1.198 431 A HN 0.715 nan 8.150 nan 0.000 0.484 432 W N 2.350 123.640 121.300 -0.015 0.000 2.129 432 W HA 0.402 5.062 4.660 0.000 0.000 0.349 432 W C -1.844 174.638 176.519 -0.061 0.000 1.279 432 W CA -1.433 55.892 57.345 -0.034 0.000 1.306 432 W CB -0.068 29.372 29.460 -0.033 0.000 1.140 432 W HN 0.510 nan 8.180 nan 0.000 0.613 433 P HA -0.146 nan 4.420 nan 0.000 0.225 433 P C 1.020 178.372 177.300 0.087 0.000 1.148 433 P CA 1.892 65.020 63.100 0.046 0.000 0.779 433 P CB 0.105 31.820 31.700 0.026 0.000 0.780 434 S N -2.230 113.559 115.700 0.149 0.000 2.556 434 S HA 0.372 4.842 4.470 -0.001 0.000 0.216 434 S C 1.011 175.663 174.600 0.087 0.000 0.970 434 S CA -0.401 57.871 58.200 0.122 0.000 0.912 434 S CB -0.537 62.751 63.200 0.147 0.000 0.790 434 S HN 0.076 nan 8.310 nan 0.000 0.504 435 A N 1.757 124.624 122.820 0.079 0.000 2.511 435 A HA 0.365 4.685 4.320 -0.001 0.000 0.242 435 A C 0.341 177.932 177.584 0.012 0.000 1.069 435 A CA -0.085 51.961 52.037 0.016 0.000 0.763 435 A CB 0.026 19.026 19.000 -0.001 0.000 1.001 435 A HN 0.513 nan 8.150 nan 0.000 0.498 436 E N 2.901 123.105 120.200 0.006 0.000 3.108 436 E HA 0.361 4.711 4.350 -0.001 0.000 0.228 436 E C -1.171 175.467 176.600 0.063 0.000 1.176 436 E CA -0.242 56.204 56.400 0.075 0.000 0.881 436 E CB 0.276 30.081 29.700 0.175 0.000 1.354 436 E HN 0.690 nan 8.360 nan 0.000 0.400 437 I N 2.504 123.016 120.570 -0.097 0.000 2.471 437 I HA 0.350 4.520 4.170 -0.001 0.000 0.286 437 I C 0.171 176.214 176.117 -0.124 0.000 1.079 437 I CA 0.191 61.317 61.300 -0.290 0.000 1.398 437 I CB 1.099 38.834 38.000 -0.442 0.000 1.403 437 I HN 0.398 nan 8.210 nan 0.000 0.530 438 A N 4.992 127.747 122.820 -0.108 0.000 2.589 438 A HA 0.418 4.738 4.320 -0.001 0.000 0.296 438 A C 0.035 177.533 177.584 -0.143 0.000 1.062 438 A CA -0.488 51.465 52.037 -0.141 0.000 0.686 438 A CB 1.575 20.409 19.000 -0.276 0.000 1.282 438 A HN 0.456 nan 8.150 nan 0.000 0.404 439 V N 1.529 121.371 119.914 -0.119 0.000 2.871 439 V HA 0.351 4.470 4.120 -0.001 0.000 0.256 439 V C 0.554 176.577 176.094 -0.120 0.000 1.082 439 V CA 2.343 64.594 62.300 -0.081 0.000 1.105 439 V CB -0.588 31.179 31.823 -0.093 0.000 0.713 439 V HN 0.828 nan 8.190 nan 0.000 0.473 440 M N -1.268 118.218 119.600 -0.190 0.000 2.523 440 M HA 0.490 4.970 4.480 -0.001 0.000 0.287 440 M C -0.139 175.968 176.300 -0.322 0.000 1.160 440 M CA -0.046 55.098 55.300 -0.260 0.000 0.902 440 M CB 1.519 34.026 32.600 -0.154 0.000 1.752 440 M HN 0.149 nan 8.290 nan 0.000 0.504 441 G N 1.337 109.892 108.800 -0.409 0.000 2.484 441 G HA2 0.384 4.343 3.960 -0.001 0.000 0.235 441 G HA3 0.384 4.343 3.960 -0.001 0.000 0.235 441 G C 0.792 175.623 174.900 -0.115 0.000 1.282 441 G CA 0.269 45.226 45.100 -0.238 0.000 0.857 441 G HN 1.051 nan 8.290 nan 0.000 0.571 442 A N 1.010 123.846 122.820 0.026 0.000 1.940 442 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 442 A C 2.078 179.610 177.584 -0.086 0.000 1.176 442 A CA 2.088 54.156 52.037 0.050 0.000 0.631 442 A CB -0.424 18.711 19.000 0.224 0.000 0.814 442 A HN 0.826 nan 8.150 nan 0.000 0.446 443 E N -0.627 119.551 120.200 -0.036 0.000 2.031 443 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 443 E C 2.134 178.691 176.600 -0.071 0.000 0.994 443 E CA 1.099 57.477 56.400 -0.036 0.000 0.800 443 E CB -0.483 29.215 29.700 -0.004 0.000 0.752 443 E HN 0.478 nan 8.360 nan 0.000 0.447 444 G N 0.631 109.380 108.800 -0.085 0.000 2.418 444 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 444 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 444 G C 1.645 176.455 174.900 -0.149 0.000 1.158 444 G CA 1.058 46.103 45.100 -0.092 0.000 0.771 444 G HN 0.433 nan 8.290 nan 0.000 0.545 445 A N 1.276 123.922 122.820 -0.290 0.000 1.858 445 A HA 0.256 4.576 4.320 -0.001 0.000 0.216 445 A C 2.852 180.267 177.584 -0.281 0.000 1.190 445 A CA 2.400 54.165 52.037 -0.453 0.000 0.617 445 A CB -0.947 17.342 19.000 -1.185 0.000 0.827 445 A HN 0.839 nan 8.150 nan 0.000 0.443 446 A N 0.138 122.837 122.820 -0.201 0.000 1.940 446 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 446 A C 1.917 179.603 177.584 0.171 0.000 1.176 446 A CA 1.819 53.947 52.037 0.151 0.000 0.631 446 A CB -0.669 18.361 19.000 0.049 0.000 0.814 446 A HN 0.556 nan 8.150 nan 0.000 0.446 447 N N -0.028 118.693 118.700 0.035 0.000 2.223 447 N HA -0.102 4.637 4.740 -0.001 0.000 0.185 447 N C 1.682 177.207 175.510 0.026 0.000 1.016 447 N CA 1.532 54.603 53.050 0.035 0.000 0.863 447 N CB -0.343 38.144 38.487 0.001 0.000 0.983 447 N HN 0.308 nan 8.380 nan 0.000 0.429 448 V N 2.259 122.166 119.914 -0.012 0.000 2.302 448 V HA -0.094 4.025 4.120 -0.001 0.000 0.243 448 V C 2.233 178.299 176.094 -0.047 0.000 1.036 448 V CA 1.129 63.410 62.300 -0.032 0.000 1.020 448 V CB -0.389 31.400 31.823 -0.057 0.000 0.657 448 V HN 0.296 nan 8.190 nan 0.000 0.453 449 I N -3.370 117.151 120.570 -0.083 0.000 2.761 449 I HA -0.024 4.146 4.170 -0.001 0.000 0.261 449 I C 1.628 177.518 176.117 -0.378 0.000 1.198 449 I CA 1.745 62.907 61.300 -0.230 0.000 1.482 449 I CB -0.326 37.491 38.000 -0.305 0.000 1.100 449 I HN 0.190 nan 8.210 nan 0.000 0.445 450 F N 1.178 121.126 119.950 -0.002 0.000 2.668 450 F HA 0.386 4.912 4.527 -0.001 0.000 0.301 450 F C 2.141 177.940 175.800 -0.002 0.000 1.106 450 F CA -0.434 57.570 58.000 0.006 0.000 1.289 450 F CB -0.210 38.797 39.000 0.012 0.000 1.006 450 F HN -0.102 nan 8.300 nan 0.000 0.535 451 R N 0.874 121.435 120.500 0.103 0.000 2.133 451 R HA -0.204 4.136 4.340 -0.001 0.000 0.247 451 R C 1.680 178.015 176.300 0.059 0.000 1.151 451 R CA 1.632 57.770 56.100 0.064 0.000 0.971 451 R CB 0.114 30.427 30.300 0.022 0.000 0.866 451 R HN 0.048 nan 8.270 nan 0.000 0.447 452 K N 0.065 120.497 120.400 0.054 0.000 2.166 452 K HA -0.023 4.297 4.320 -0.001 0.000 0.201 452 K C 1.948 178.587 176.600 0.066 0.000 1.052 452 K CA 0.997 57.312 56.287 0.045 0.000 0.969 452 K CB -0.027 32.489 32.500 0.026 0.000 0.761 452 K HN 0.166 nan 8.250 nan 0.000 0.459 453 E N 1.202 121.468 120.200 0.111 0.000 2.110 453 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 453 E C 2.027 178.681 176.600 0.089 0.000 0.988 453 E CA 0.765 57.239 56.400 0.124 0.000 0.804 453 E CB -0.309 29.531 29.700 0.233 0.000 0.745 453 E HN 0.239 nan 8.360 nan 0.000 0.458 454 I N 0.489 121.116 120.570 0.096 0.000 2.202 454 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 454 I C 2.216 178.354 176.117 0.036 0.000 1.091 454 I CA 1.011 62.343 61.300 0.054 0.000 1.368 454 I CB -0.200 37.836 38.000 0.059 0.000 1.058 454 I HN 0.030 nan 8.210 nan 0.000 0.410 455 K N 1.993 122.416 120.400 0.038 0.000 2.063 455 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 455 K C 1.892 178.505 176.600 0.022 0.000 1.048 455 K CA 2.041 58.343 56.287 0.025 0.000 0.928 455 K CB -0.428 32.086 32.500 0.023 0.000 0.713 455 K HN 0.276 nan 8.250 nan 0.000 0.442 456 A N 0.078 122.914 122.820 0.026 0.000 2.169 456 A HA 0.380 4.699 4.320 -0.001 0.000 0.212 456 A C 0.980 178.575 177.584 0.019 0.000 1.153 456 A CA 0.566 52.617 52.037 0.022 0.000 0.756 456 A CB -0.678 18.337 19.000 0.025 0.000 0.813 456 A HN 0.428 nan 8.150 nan 0.000 0.471 457 A N 0.245 123.078 122.820 0.020 0.000 2.466 457 A HA 0.283 4.603 4.320 -0.001 0.000 0.238 457 A C 0.770 178.359 177.584 0.008 0.000 1.074 457 A CA 0.187 52.233 52.037 0.014 0.000 0.774 457 A CB 0.207 19.213 19.000 0.010 0.000 1.015 457 A HN 0.359 nan 8.150 nan 0.000 0.498 458 D N -0.065 120.338 120.400 0.005 0.000 2.117 458 D HA -0.091 4.549 4.640 -0.001 0.000 0.197 458 D C -0.016 176.285 176.300 0.001 0.000 0.987 458 D CA 1.650 55.652 54.000 0.003 0.000 0.829 458 D CB 0.164 40.965 40.800 0.001 0.000 0.961 458 D HN 0.609 nan 8.370 nan 0.000 0.460 459 D N -0.713 119.686 120.400 -0.001 0.000 2.432 459 D HA 0.167 4.807 4.640 -0.001 0.000 0.265 459 D C -1.978 174.319 176.300 -0.004 0.000 1.160 459 D CA -2.278 51.720 54.000 -0.003 0.000 0.911 459 D CB 1.653 42.450 40.800 -0.006 0.000 1.052 459 D HN -0.211 nan 8.370 nan 0.000 0.508 460 P HA -0.127 nan 4.420 nan 0.000 0.216 460 P C 0.832 178.129 177.300 -0.006 0.000 1.154 460 P CA 0.958 64.059 63.100 0.001 0.000 0.865 460 P CB 0.451 32.154 31.700 0.005 0.000 0.789 461 D N -0.915 119.481 120.400 -0.007 0.000 2.117 461 D HA -0.106 4.534 4.640 -0.001 0.000 0.198 461 D C 1.990 178.279 176.300 -0.017 0.000 0.982 461 D CA 1.545 55.539 54.000 -0.010 0.000 0.828 461 D CB -0.653 40.142 40.800 -0.007 0.000 0.967 461 D HN 0.088 nan 8.370 nan 0.000 0.464 462 A N 0.796 123.606 122.820 -0.018 0.000 1.898 462 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 462 A C 2.141 179.703 177.584 -0.037 0.000 1.181 462 A CA 1.521 53.544 52.037 -0.024 0.000 0.620 462 A CB -0.448 18.540 19.000 -0.020 0.000 0.819 462 A HN 0.145 nan 8.150 nan 0.000 0.442 463 M N -0.008 119.571 119.600 -0.036 0.000 2.086 463 M HA -0.106 4.373 4.480 -0.001 0.000 0.261 463 M C 2.105 178.355 176.300 -0.084 0.000 1.067 463 M CA 2.095 57.362 55.300 -0.055 0.000 1.116 463 M CB -0.516 32.065 32.600 -0.031 0.000 1.348 463 M HN 0.463 nan 8.290 nan 0.000 0.407 464 R N -0.301 120.167 120.500 -0.054 0.000 2.083 464 R HA -0.132 4.208 4.340 -0.001 0.000 0.237 464 R C 2.017 178.275 176.300 -0.069 0.000 1.137 464 R CA 1.788 57.854 56.100 -0.056 0.000 0.951 464 R CB -0.587 29.699 30.300 -0.023 0.000 0.851 464 R HN 0.472 nan 8.270 nan 0.000 0.434 465 A N 1.022 123.812 122.820 -0.051 0.000 1.883 465 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 465 A C 2.010 179.555 177.584 -0.064 0.000 1.186 465 A CA 1.868 53.879 52.037 -0.043 0.000 0.624 465 A CB -0.678 18.304 19.000 -0.030 0.000 0.822 465 A HN 0.589 nan 8.150 nan 0.000 0.444 466 E N 0.362 120.511 120.200 -0.084 0.000 2.058 466 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 466 E C 1.836 178.335 176.600 -0.168 0.000 0.997 466 E CA 1.920 58.256 56.400 -0.107 0.000 0.801 466 E CB -0.195 29.441 29.700 -0.107 0.000 0.746 466 E HN 0.382 nan 8.360 nan 0.000 0.450 467 K N 0.273 120.511 120.400 -0.270 0.000 2.097 467 K HA -0.039 4.281 4.320 -0.001 0.000 0.205 467 K C 2.368 178.835 176.600 -0.221 0.000 1.050 467 K CA 1.250 57.245 56.287 -0.486 0.000 0.938 467 K CB -0.454 31.537 32.500 -0.848 0.000 0.718 467 K HN 0.347 nan 8.250 nan 0.000 0.442 468 I N 0.857 121.365 120.570 -0.104 0.000 2.179 468 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 468 I C 2.488 178.634 176.117 0.048 0.000 1.088 468 I CA 1.210 62.512 61.300 0.002 0.000 1.357 468 I CB -0.214 37.784 38.000 -0.003 0.000 1.051 468 I HN 0.145 nan 8.210 nan 0.000 0.409 469 E N 1.386 121.585 120.200 -0.002 0.000 2.077 469 E HA -0.278 4.072 4.350 -0.001 0.000 0.193 469 E C 2.006 178.610 176.600 0.006 0.000 0.989 469 E CA 1.620 58.023 56.400 0.005 0.000 0.800 469 E CB -0.106 29.581 29.700 -0.021 0.000 0.746 469 E HN 0.384 nan 8.360 nan 0.000 0.452 470 E N -1.296 118.889 120.200 -0.025 0.000 2.051 470 E HA -0.226 4.124 4.350 -0.001 0.000 0.192 470 E C 1.895 178.503 176.600 0.014 0.000 0.991 470 E CA 1.209 57.587 56.400 -0.036 0.000 0.799 470 E CB -0.287 29.361 29.700 -0.087 0.000 0.748 470 E HN 0.432 nan 8.360 nan 0.000 0.449 471 Y N 0.996 121.289 120.300 -0.011 0.000 2.200 471 Y HA -0.263 4.287 4.550 0.001 0.000 0.290 471 Y C 2.490 178.440 175.900 0.083 0.000 1.137 471 Y CA 2.051 60.203 58.100 0.087 0.000 1.163 471 Y CB -0.118 38.451 38.460 0.181 0.000 0.988 471 Y HN 0.070 nan 8.280 nan 0.000 0.518 472 Q N 0.774 120.723 119.800 0.248 0.000 2.061 472 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 472 Q C 1.694 177.730 176.000 0.060 0.000 0.984 472 Q CA 2.383 58.287 55.803 0.168 0.000 0.846 472 Q CB -0.460 28.355 28.738 0.128 0.000 0.902 472 Q HN 0.427 nan 8.270 nan 0.000 0.421 473 N N -0.558 118.146 118.700 0.007 0.000 2.331 473 N HA -0.016 4.723 4.740 -0.001 0.000 0.180 473 N C 1.210 176.655 175.510 -0.108 0.000 1.019 473 N CA 1.170 54.202 53.050 -0.030 0.000 0.881 473 N CB -0.268 38.196 38.487 -0.038 0.000 0.972 473 N HN 0.395 nan 8.380 nan 0.000 0.435 474 A N -0.970 121.708 122.820 -0.236 0.000 2.072 474 A HA 0.136 4.456 4.320 -0.001 0.000 0.216 474 A C 1.116 178.325 177.584 -0.624 0.000 1.156 474 A CA 0.805 52.550 52.037 -0.486 0.000 0.701 474 A CB -0.033 18.541 19.000 -0.710 0.000 0.816 474 A HN 0.164 nan 8.150 nan 0.000 0.458 475 F N -1.829 117.982 119.950 -0.232 0.000 2.557 475 F HA 0.198 4.724 4.527 -0.000 0.000 0.300 475 F C 0.822 176.552 175.800 -0.117 0.000 0.867 475 F CA -0.213 57.649 58.000 -0.229 0.000 1.085 475 F CB -0.083 38.641 39.000 -0.461 0.000 0.907 475 F HN 0.028 nan 8.300 nan 0.000 0.700 476 N N 0.539 119.316 118.700 0.129 0.000 2.313 476 N HA 0.073 4.812 4.740 -0.001 0.000 0.207 476 N C 0.179 175.745 175.510 0.094 0.000 1.141 476 N CA 0.418 53.533 53.050 0.108 0.000 0.830 476 N CB -0.238 38.332 38.487 0.139 0.000 1.008 476 N HN 0.284 nan 8.380 nan 0.000 0.481 477 T N -3.638 110.972 114.554 0.094 0.000 2.945 477 T HA 0.415 4.765 4.350 -0.001 0.000 0.286 477 T C -1.991 172.746 174.700 0.062 0.000 1.025 477 T CA -2.017 60.150 62.100 0.112 0.000 1.039 477 T CB 2.514 71.498 68.868 0.195 0.000 1.068 477 T HN -0.283 nan 8.240 nan 0.000 0.497 478 P HA -0.042 nan 4.420 nan 0.000 0.219 478 P C 0.654 177.817 177.300 -0.228 0.000 1.146 478 P CA 1.048 64.052 63.100 -0.160 0.000 0.808 478 P CB -0.213 31.316 31.700 -0.285 0.000 0.779 479 Y N -1.375 118.944 120.300 0.033 0.000 2.314 479 Y HA -0.108 4.441 4.550 -0.001 0.000 0.293 479 Y C 2.330 178.242 175.900 0.021 0.000 1.129 479 Y CA 0.678 58.793 58.100 0.025 0.000 1.201 479 Y CB -1.134 37.334 38.460 0.014 0.000 0.999 479 Y HN -0.235 nan 8.280 nan 0.000 0.541 480 V N -0.471 119.530 119.914 0.145 0.000 2.453 480 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 480 V C 2.464 178.604 176.094 0.078 0.000 1.048 480 V CA 1.441 63.800 62.300 0.098 0.000 1.049 480 V CB -1.172 30.703 31.823 0.088 0.000 0.672 480 V HN 0.432 nan 8.190 nan 0.000 0.457 481 A N 0.303 123.153 122.820 0.050 0.000 1.902 481 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 481 A C 2.409 180.010 177.584 0.028 0.000 1.181 481 A CA 2.158 54.212 52.037 0.029 0.000 0.623 481 A CB -0.733 18.261 19.000 -0.010 0.000 0.818 481 A HN 0.555 nan 8.150 nan 0.000 0.443 482 A N -0.302 122.528 122.820 0.017 0.000 1.930 482 A HA 0.233 4.552 4.320 -0.001 0.000 0.217 482 A C 2.479 180.091 177.584 0.047 0.000 1.175 482 A CA 1.836 53.886 52.037 0.023 0.000 0.627 482 A CB -0.939 18.064 19.000 0.004 0.000 0.815 482 A HN 1.044 nan 8.150 nan 0.000 0.443 483 A N -0.510 122.349 122.820 0.065 0.000 1.933 483 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 483 A C 2.066 179.682 177.584 0.052 0.000 1.175 483 A CA 1.379 53.454 52.037 0.064 0.000 0.628 483 A CB -0.349 18.692 19.000 0.069 0.000 0.814 483 A HN 0.336 nan 8.150 nan 0.000 0.444 484 R N -1.299 119.234 120.500 0.055 0.000 2.313 484 R HA 0.111 4.451 4.340 -0.001 0.000 0.199 484 R C 1.369 177.693 176.300 0.040 0.000 0.958 484 R CA 0.728 56.859 56.100 0.052 0.000 1.047 484 R CB -0.712 29.626 30.300 0.064 0.000 0.955 484 R HN 0.865 nan 8.270 nan 0.000 0.481 485 G N 0.992 109.814 108.800 0.036 0.000 2.159 485 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.256 485 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.256 485 G C 0.815 175.726 174.900 0.018 0.000 0.977 485 G CA 0.565 45.680 45.100 0.025 0.000 0.652 485 G HN 0.395 nan 8.290 nan 0.000 0.531 486 Q N -0.730 119.088 119.800 0.030 0.000 2.291 486 Q HA 0.242 4.582 4.340 -0.001 0.000 0.205 486 Q C 1.383 177.397 176.000 0.024 0.000 0.970 486 Q CA 1.406 57.235 55.803 0.043 0.000 0.876 486 Q CB 0.220 29.008 28.738 0.082 0.000 0.935 486 Q HN 1.121 nan 8.270 nan 0.000 0.455 487 V N -3.458 116.459 119.914 0.004 0.000 2.823 487 V HA 0.291 4.411 4.120 -0.001 0.000 0.312 487 V C -0.308 175.764 176.094 -0.035 0.000 1.072 487 V CA -0.844 61.438 62.300 -0.030 0.000 0.937 487 V CB 2.057 33.875 31.823 -0.008 0.000 1.013 487 V HN -0.176 nan 8.190 nan 0.000 0.430 488 D N 1.153 121.496 120.400 -0.095 0.000 2.144 488 D HA 0.136 4.775 4.640 -0.001 0.000 0.200 488 D C 0.284 176.627 176.300 0.072 0.000 0.978 488 D CA 2.183 56.160 54.000 -0.038 0.000 0.833 488 D CB 0.182 40.906 40.800 -0.127 0.000 0.961 488 D HN 0.893 nan 8.370 nan 0.000 0.470 489 D N -2.082 118.393 120.400 0.125 0.000 2.694 489 D HA 0.160 4.800 4.640 -0.001 0.000 0.260 489 D C -1.680 174.702 176.300 0.136 0.000 1.250 489 D CA -0.615 53.476 54.000 0.153 0.000 0.763 489 D CB 1.361 42.301 40.800 0.232 0.000 1.311 489 D HN -0.298 nan 8.370 nan 0.000 0.420 490 V N 2.399 122.339 119.914 0.043 0.000 2.398 490 V HA 0.574 4.693 4.120 -0.001 0.000 0.286 490 V C 0.333 176.437 176.094 0.016 0.000 1.026 490 V CA -0.602 61.683 62.300 -0.025 0.000 0.868 490 V CB 0.921 32.594 31.823 -0.250 0.000 0.982 490 V HN 0.495 nan 8.190 nan 0.000 0.443 491 I N 0.402 120.997 120.570 0.042 0.000 2.846 491 I HA 0.684 4.853 4.170 -0.001 0.000 0.307 491 I C -0.491 175.545 176.117 -0.134 0.000 1.053 491 I CA -0.832 60.452 61.300 -0.027 0.000 1.050 491 I CB 2.091 40.072 38.000 -0.031 0.000 1.239 491 I HN 0.471 nan 8.210 nan 0.000 0.439 492 D N 5.088 125.384 120.400 -0.174 0.000 2.383 492 D HA 0.229 4.869 4.640 -0.001 0.000 0.252 492 D C -1.823 174.203 176.300 -0.456 0.000 1.166 492 D CA -2.083 51.763 54.000 -0.257 0.000 0.879 492 D CB 1.656 42.349 40.800 -0.178 0.000 1.164 492 D HN 0.321 nan 8.370 nan 0.000 0.462 493 P HA -0.170 nan 4.420 nan 0.000 0.217 493 P C 0.937 177.828 177.300 -0.682 0.000 1.148 493 P CA 1.931 64.168 63.100 -1.438 0.000 0.834 493 P CB 0.112 30.737 31.700 -1.791 0.000 0.783 494 A N -0.315 122.247 122.820 -0.429 0.000 2.024 494 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 494 A C 1.614 179.101 177.584 -0.163 0.000 1.164 494 A CA 1.839 53.733 52.037 -0.238 0.000 0.643 494 A CB -1.062 17.830 19.000 -0.179 0.000 0.806 494 A HN 0.139 nan 8.150 nan 0.000 0.451 495 D N -1.110 119.185 120.400 -0.175 0.000 2.328 495 D HA 0.048 4.687 4.640 -0.001 0.000 0.221 495 D C 1.384 177.626 176.300 -0.098 0.000 1.072 495 D CA 0.648 54.574 54.000 -0.124 0.000 0.850 495 D CB -0.179 40.543 40.800 -0.130 0.000 0.922 495 D HN 0.316 nan 8.370 nan 0.000 0.516 496 T N 0.898 115.424 114.554 -0.047 0.000 2.635 496 T HA -0.246 4.103 4.350 -0.001 0.000 0.267 496 T C 1.953 176.671 174.700 0.030 0.000 1.040 496 T CA 1.279 63.424 62.100 0.076 0.000 1.156 496 T CB 0.045 69.099 68.868 0.310 0.000 0.863 496 T HN 0.224 nan 8.240 nan 0.000 0.430 497 R N 0.772 121.284 120.500 0.021 0.000 2.083 497 R HA -0.093 4.247 4.340 -0.001 0.000 0.237 497 R C 2.620 178.907 176.300 -0.021 0.000 1.137 497 R CA 1.686 57.789 56.100 0.006 0.000 0.951 497 R CB -0.190 30.105 30.300 -0.009 0.000 0.851 497 R HN 0.296 nan 8.270 nan 0.000 0.434 498 R N 0.353 120.826 120.500 -0.045 0.000 2.073 498 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 498 R C 1.933 178.190 176.300 -0.072 0.000 1.134 498 R CA 1.600 57.668 56.100 -0.053 0.000 0.952 498 R CB 0.012 30.275 30.300 -0.062 0.000 0.850 498 R HN 0.070 nan 8.270 nan 0.000 0.433 499 K N 0.592 120.904 120.400 -0.146 0.000 2.026 499 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 499 K C 2.118 178.651 176.600 -0.111 0.000 1.048 499 K CA 1.462 57.572 56.287 -0.295 0.000 0.929 499 K CB -0.348 31.727 32.500 -0.707 0.000 0.713 499 K HN 0.334 nan 8.250 nan 0.000 0.439 500 I N 0.924 121.486 120.570 -0.013 0.000 2.202 500 I HA -0.254 3.916 4.170 -0.001 0.000 0.242 500 I C 2.474 178.650 176.117 0.097 0.000 1.091 500 I CA 1.127 62.491 61.300 0.107 0.000 1.368 500 I CB -0.418 37.641 38.000 0.099 0.000 1.058 500 I HN 0.049 nan 8.210 nan 0.000 0.410 501 A N 0.180 123.028 122.820 0.048 0.000 1.908 501 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 501 A C 2.486 180.108 177.584 0.064 0.000 1.181 501 A CA 2.377 54.439 52.037 0.042 0.000 0.627 501 A CB -0.776 18.228 19.000 0.007 0.000 0.818 501 A HN 0.400 nan 8.150 nan 0.000 0.445 502 S N -0.279 115.455 115.700 0.057 0.000 2.368 502 S HA 0.017 4.487 4.470 -0.001 0.000 0.224 502 S C 2.311 176.987 174.600 0.127 0.000 1.029 502 S CA 1.079 59.321 58.200 0.070 0.000 0.988 502 S CB -0.457 62.770 63.200 0.046 0.000 0.838 502 S HN 0.801 nan 8.310 nan 0.000 0.462 503 A N 1.640 124.580 122.820 0.199 0.000 1.877 503 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 503 A C 2.116 179.890 177.584 0.316 0.000 1.186 503 A CA 1.195 53.427 52.037 0.325 0.000 0.620 503 A CB -0.805 18.433 19.000 0.396 0.000 0.822 503 A HN 0.443 nan 8.150 nan 0.000 0.443 504 L N -0.851 120.504 121.223 0.220 0.000 2.042 504 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 504 L C 2.692 179.665 176.870 0.170 0.000 1.076 504 L CA 1.794 56.750 54.840 0.194 0.000 0.749 504 L CB -0.457 41.682 42.059 0.133 0.000 0.893 504 L HN 0.501 nan 8.230 nan 0.000 0.432 505 E N 0.502 120.779 120.200 0.127 0.000 2.047 505 E HA -0.221 4.129 4.350 -0.001 0.000 0.191 505 E C 2.211 178.845 176.600 0.056 0.000 0.987 505 E CA 1.558 58.018 56.400 0.099 0.000 0.799 505 E CB -0.182 29.564 29.700 0.076 0.000 0.752 505 E HN 0.294 nan 8.360 nan 0.000 0.449 506 M N -0.869 118.739 119.600 0.013 0.000 2.080 506 M HA -0.177 4.302 4.480 -0.001 0.000 0.260 506 M C 1.274 177.404 176.300 -0.284 0.000 1.068 506 M CA 1.567 56.769 55.300 -0.163 0.000 1.109 506 M CB -0.306 32.140 32.600 -0.256 0.000 1.342 506 M HN 0.150 nan 8.290 nan 0.000 0.405 507 Y N -0.572 119.770 120.300 0.070 0.000 2.462 507 Y HA 0.272 4.822 4.550 -0.000 0.000 0.293 507 Y C 2.062 178.005 175.900 0.071 0.000 1.195 507 Y CA 0.134 58.272 58.100 0.064 0.000 1.276 507 Y CB -0.803 37.694 38.460 0.061 0.000 1.082 507 Y HN 0.184 nan 8.280 nan 0.000 0.514 508 A N -0.216 122.696 122.820 0.154 0.000 2.070 508 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 508 A C 1.994 179.645 177.584 0.112 0.000 1.159 508 A CA 1.964 54.090 52.037 0.148 0.000 0.656 508 A CB -0.816 18.273 19.000 0.148 0.000 0.800 508 A HN 0.389 nan 8.150 nan 0.000 0.453 509 T N -2.891 111.711 114.554 0.080 0.000 3.176 509 T HA 0.263 4.612 4.350 -0.001 0.000 0.263 509 T C 0.378 175.122 174.700 0.073 0.000 1.021 509 T CA -0.268 61.867 62.100 0.059 0.000 0.905 509 T CB -0.290 68.593 68.868 0.026 0.000 1.057 509 T HN 0.385 nan 8.240 nan 0.000 0.558 510 K N 2.109 122.584 120.400 0.125 0.000 2.451 510 K HA 0.121 4.440 4.320 -0.001 0.000 0.280 510 K C -0.561 176.095 176.600 0.094 0.000 1.020 510 K CA -0.177 56.201 56.287 0.152 0.000 1.008 510 K CB 0.376 33.018 32.500 0.236 0.000 0.917 510 K HN 0.095 nan 8.250 nan 0.000 0.478 511 R N 4.072 124.616 120.500 0.074 0.000 2.500 511 R HA 0.148 4.487 4.340 -0.001 0.000 0.299 511 R C -1.159 175.164 176.300 0.040 0.000 1.038 511 R CA -0.568 55.559 56.100 0.046 0.000 0.903 511 R CB 1.667 31.988 30.300 0.034 0.000 1.177 511 R HN 0.730 nan 8.270 nan 0.000 0.455 512 Q N 1.554 121.371 119.800 0.028 0.000 2.330 512 Q HA 0.376 4.716 4.340 -0.001 0.000 0.269 512 Q C -0.688 175.315 176.000 0.004 0.000 1.022 512 Q CA -0.503 55.310 55.803 0.018 0.000 0.796 512 Q CB 1.819 30.566 28.738 0.014 0.000 1.271 512 Q HN 0.629 nan 8.270 nan 0.000 0.450 513 T N 1.270 115.825 114.554 0.002 0.000 2.907 513 T HA 0.633 4.983 4.350 -0.001 0.000 0.284 513 T C -0.192 174.501 174.700 -0.011 0.000 1.004 513 T CA -0.943 61.154 62.100 -0.005 0.000 1.063 513 T CB 1.266 70.132 68.868 -0.002 0.000 0.992 513 T HN 0.396 nan 8.240 nan 0.000 0.483 514 R N 1.738 122.229 120.500 -0.015 0.000 2.803 514 R HA 0.558 4.898 4.340 -0.001 0.000 0.276 514 R C -2.652 173.638 176.300 -0.017 0.000 0.978 514 R CA -2.192 53.895 56.100 -0.021 0.000 0.939 514 R CB 0.440 30.723 30.300 -0.027 0.000 1.179 514 R HN 0.587 nan 8.270 nan 0.000 0.472 515 P HA 0.078 nan 4.420 nan 0.000 0.266 515 P C -0.738 176.553 177.300 -0.014 0.000 1.195 515 P CA -0.066 63.026 63.100 -0.014 0.000 0.768 515 P CB 0.425 32.116 31.700 -0.014 0.000 0.838 516 A N 3.315 126.127 122.820 -0.014 0.000 2.488 516 A HA 0.447 4.766 4.320 -0.001 0.000 0.249 516 A C 0.364 177.935 177.584 -0.023 0.000 1.083 516 A CA 0.355 52.382 52.037 -0.017 0.000 0.768 516 A CB -0.324 18.666 19.000 -0.015 0.000 1.017 516 A HN 0.666 nan 8.150 nan 0.000 0.496 517 K N 1.296 121.679 120.400 -0.029 0.000 2.660 517 K HA 0.320 4.639 4.320 -0.001 0.000 0.285 517 K C -0.381 176.175 176.600 -0.073 0.000 0.997 517 K CA -0.894 55.360 56.287 -0.054 0.000 0.861 517 K CB 0.991 33.468 32.500 -0.038 0.000 1.469 517 K HN 0.320 nan 8.250 nan 0.000 0.395 518 K N 0.116 120.420 120.400 -0.161 0.000 2.057 518 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 518 K C -0.096 176.450 176.600 -0.089 0.000 1.049 518 K CA 2.035 58.219 56.287 -0.171 0.000 0.931 518 K CB -0.348 31.953 32.500 -0.333 0.000 0.714 518 K HN 0.834 nan 8.250 nan 0.000 0.440 519 H N -4.263 114.823 119.070 0.028 0.000 2.984 519 H HA 0.367 4.922 4.556 -0.001 0.000 0.298 519 H C -0.323 175.059 175.328 0.091 0.000 1.378 519 H CA -0.679 55.398 56.048 0.049 0.000 1.241 519 H CB 0.213 29.994 29.762 0.032 0.000 1.894 519 H HN 0.051 nan 8.280 nan 0.000 0.511 520 G N -0.370 108.646 108.800 0.359 0.000 2.535 520 G HA2 0.284 4.243 3.960 -0.001 0.000 0.282 520 G HA3 0.284 4.243 3.960 -0.001 0.000 0.282 520 G C -0.566 174.580 174.900 0.409 0.000 1.350 520 G CA -0.940 44.393 45.100 0.387 0.000 1.039 520 G HN 0.690 nan 8.290 nan 0.000 0.509 521 N N 0.113 118.998 118.700 0.307 0.000 2.955 521 N HA 0.145 4.884 4.740 -0.001 0.000 0.242 521 N C -0.963 174.440 175.510 -0.178 0.000 1.123 521 N CA -0.313 52.805 53.050 0.113 0.000 0.949 521 N CB 0.905 39.449 38.487 0.095 0.000 1.214 521 N HN 0.361 nan 8.380 nan 0.000 0.504 522 F N 2.726 122.328 119.950 -0.579 0.000 2.578 522 F HA 0.155 4.682 4.527 0.001 0.000 0.381 522 F C -1.524 173.967 175.800 -0.516 0.000 1.069 522 F CA -1.069 56.324 58.000 -1.012 0.000 1.231 522 F CB 0.524 39.116 39.000 -0.681 0.000 1.086 522 F HN 0.268 nan 8.300 nan 0.000 0.564 523 P HA 0.012 nan 4.420 nan 0.000 0.266 523 P C -0.660 176.294 177.300 -0.577 0.000 1.195 523 P CA -0.210 62.490 63.100 -0.666 0.000 0.768 523 P CB 0.427 31.742 31.700 -0.640 0.000 0.838 524 C N 0.000 119.096 119.300 -0.339 0.000 2.653 524 C HA 0.000 4.460 4.460 -0.001 0.000 0.325 524 C CA 0.000 58.876 59.018 -0.237 0.000 1.963 524 C CB 0.000 27.657 27.740 -0.139 0.000 2.134 524 C HN 0.000 nan 8.230 nan 0.000 0.568