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 1on3_1_F DATA FIRST_RESID 8 DATA SEQUENCE KLASTMEGRV EQLAEQRQVI EAGGGERRVE KQHSQGKQTA RERLNNLLDP DATA SEQUENCE HSFDEVGAFR KHRTTLFGMD KAVVPADGVV TGRGTILGRP VHAASQDFTV DATA SEQUENCE MGGSAGETQS TKVVETMEQA LLTGTPFLFF YDSGGARIQE GIDSLSGYGK DATA SEQUENCE MFFANVKLSG VVPQIAIIAG PCAGGASYSP ALTDFIIMTK KAHMFITGPQ DATA SEQUENCE VIKSVTGEDV TADELGGAEA HMAISGNIHF VAEDDDAAEL IAKKLLSFLP DATA SEQUENCE QNNTEEASFV NPNNDVSPNT ELRDIVPIDG KKGYDVRDVI AKIVDWGDYL DATA SEQUENCE EVKAGYATNL VTAFARVNGR SVGIVANQPS VMSGCLDINA SDKAAEFVNF DATA SEQUENCE CDSFNIPLVQ LVDVPGFLPG VQQEYGGIIR HGAKMLYAYS EATVPKITVV DATA SEQUENCE LRKAYGGSYL AMCNRDLGAD AVYAWPSAEI AVMGAEGAAN VIFRKEIKAA DATA SEQUENCE DDPDAMRAEK IEEYQNAFNT PYVAAARGQV DDVIDPADTR RKIASALEMY DATA SEQUENCE ATKRQTRPAK KHGNFPC 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.592 176.600 -0.014 0.000 0.988 8 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 8 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 9 L N 2.774 123.986 121.223 -0.018 0.000 2.275 9 L HA 0.555 4.895 4.340 0.001 0.000 0.288 9 L C 0.505 177.365 176.870 -0.017 0.000 1.046 9 L CA -0.796 54.030 54.840 -0.022 0.000 0.805 9 L CB 1.439 43.480 42.059 -0.030 0.000 1.193 9 L HN 0.151 nan 8.230 nan 0.000 0.426 10 A N 2.175 124.986 122.820 -0.015 0.000 2.577 10 A HA 0.043 4.363 4.320 0.001 0.000 0.233 10 A C 1.281 178.858 177.584 -0.012 0.000 1.076 10 A CA 0.553 52.584 52.037 -0.011 0.000 0.767 10 A CB 0.172 19.167 19.000 -0.009 0.000 1.017 10 A HN 0.923 nan 8.150 nan 0.000 0.511 11 S N -0.337 115.357 115.700 -0.010 0.000 2.527 11 S HA 0.125 4.595 4.470 0.001 0.000 0.222 11 S C 0.723 175.317 174.600 -0.010 0.000 0.985 11 S CA 0.743 58.938 58.200 -0.010 0.000 0.921 11 S CB -0.634 62.561 63.200 -0.008 0.000 0.772 11 S HN 1.452 nan 8.310 nan 0.000 0.529 12 T N -1.803 112.746 114.554 -0.009 0.000 2.887 12 T HA 0.619 4.970 4.350 0.001 0.000 0.288 12 T C 0.626 175.320 174.700 -0.010 0.000 1.021 12 T CA -0.835 61.260 62.100 -0.009 0.000 1.000 12 T CB 1.574 70.438 68.868 -0.006 0.000 1.034 12 T HN -0.055 nan 8.240 nan 0.000 0.467 13 M N 1.291 120.884 119.600 -0.011 0.000 2.065 13 M HA -0.026 4.455 4.480 0.001 0.000 0.259 13 M C 1.875 178.169 176.300 -0.010 0.000 1.069 13 M CA 1.903 57.196 55.300 -0.012 0.000 1.110 13 M CB -1.147 31.446 32.600 -0.011 0.000 1.328 13 M HN 0.837 nan 8.290 nan 0.000 0.405 14 E N -0.437 119.759 120.200 -0.007 0.000 2.130 14 E HA -0.112 4.238 4.350 0.001 0.000 0.196 14 E C 1.979 178.578 176.600 -0.003 0.000 0.998 14 E CA 1.587 57.984 56.400 -0.004 0.000 0.806 14 E CB -0.986 28.712 29.700 -0.003 0.000 0.738 14 E HN 0.696 nan 8.360 nan 0.000 0.459 15 G N 0.142 108.940 108.800 -0.004 0.000 2.403 15 G HA2 -0.247 3.713 3.960 0.001 0.000 0.216 15 G HA3 -0.247 3.713 3.960 0.001 0.000 0.216 15 G C 1.496 176.393 174.900 -0.005 0.000 1.154 15 G CA 0.426 45.525 45.100 -0.003 0.000 0.784 15 G HN 0.127 nan 8.290 nan 0.000 0.538 16 R N -0.242 120.252 120.500 -0.010 0.000 2.115 16 R HA 0.053 4.393 4.340 0.001 0.000 0.226 16 R C 2.591 178.883 176.300 -0.013 0.000 1.100 16 R CA 0.711 56.801 56.100 -0.017 0.000 0.980 16 R CB -0.346 29.938 30.300 -0.026 0.000 0.875 16 R HN 0.279 nan 8.270 nan 0.000 0.445 17 V N 1.566 121.476 119.914 -0.007 0.000 2.295 17 V HA -0.239 3.882 4.120 0.001 0.000 0.246 17 V C 1.972 178.072 176.094 0.011 0.000 1.049 17 V CA 1.855 64.155 62.300 0.000 0.000 1.024 17 V CB -0.389 31.435 31.823 0.001 0.000 0.648 17 V HN 0.357 nan 8.190 nan 0.000 0.447 18 E N -0.291 119.915 120.200 0.010 0.000 2.110 18 E HA -0.299 4.052 4.350 0.001 0.000 0.193 18 E C 2.244 178.857 176.600 0.022 0.000 0.988 18 E CA 1.366 57.776 56.400 0.016 0.000 0.804 18 E CB -0.150 29.557 29.700 0.011 0.000 0.745 18 E HN 0.669 nan 8.360 nan 0.000 0.458 19 Q N 0.866 120.675 119.800 0.014 0.000 2.050 19 Q HA -0.203 4.138 4.340 0.001 0.000 0.202 19 Q C 2.331 178.350 176.000 0.031 0.000 0.980 19 Q CA 1.092 56.905 55.803 0.017 0.000 0.840 19 Q CB -0.078 28.661 28.738 0.001 0.000 0.898 19 Q HN 0.230 nan 8.270 nan 0.000 0.424 20 L N 0.808 122.044 121.223 0.021 0.000 2.042 20 L HA -0.145 4.195 4.340 0.001 0.000 0.210 20 L C 2.233 179.173 176.870 0.117 0.000 1.076 20 L CA 2.380 57.245 54.840 0.042 0.000 0.749 20 L CB -1.050 41.015 42.059 0.010 0.000 0.893 20 L HN 0.277 nan 8.230 nan 0.000 0.432 21 A N -0.724 122.145 122.820 0.081 0.000 1.908 21 A HA -0.257 4.063 4.320 0.001 0.000 0.218 21 A C 2.162 179.796 177.584 0.083 0.000 1.181 21 A CA 2.025 54.110 52.037 0.081 0.000 0.627 21 A CB -0.680 18.350 19.000 0.051 0.000 0.818 21 A HN 0.670 nan 8.150 nan 0.000 0.445 22 E N -0.610 119.633 120.200 0.072 0.000 2.072 22 E HA -0.189 4.161 4.350 0.001 0.000 0.191 22 E C 2.307 178.961 176.600 0.090 0.000 0.985 22 E CA 1.120 57.559 56.400 0.065 0.000 0.801 22 E CB -0.183 29.547 29.700 0.049 0.000 0.750 22 E HN 0.590 nan 8.360 nan 0.000 0.452 23 Q N 0.642 120.524 119.800 0.136 0.000 2.061 23 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 23 Q C 2.144 178.271 176.000 0.212 0.000 0.984 23 Q CA 1.233 57.165 55.803 0.216 0.000 0.846 23 Q CB -0.517 28.416 28.738 0.325 0.000 0.902 23 Q HN 0.227 nan 8.270 nan 0.000 0.421 24 R N 0.491 121.128 120.500 0.229 0.000 2.091 24 R HA -0.161 4.179 4.340 0.001 0.000 0.238 24 R C 2.339 178.633 176.300 -0.010 0.000 1.136 24 R CA 1.336 57.459 56.100 0.039 0.000 0.959 24 R CB -0.008 30.355 30.300 0.106 0.000 0.856 24 R HN 0.230 nan 8.270 nan 0.000 0.437 25 Q N 0.417 120.238 119.800 0.035 0.000 2.096 25 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 25 Q C 2.036 178.040 176.000 0.007 0.000 0.982 25 Q CA 1.972 57.787 55.803 0.020 0.000 0.850 25 Q CB -0.090 28.667 28.738 0.031 0.000 0.901 25 Q HN 0.299 nan 8.270 nan 0.000 0.422 26 V N 1.367 121.293 119.914 0.020 0.000 2.343 26 V HA -0.275 3.846 4.120 0.001 0.000 0.247 26 V C 2.534 178.621 176.094 -0.012 0.000 1.051 26 V CA 1.345 63.654 62.300 0.014 0.000 1.036 26 V CB -0.593 31.252 31.823 0.037 0.000 0.654 26 V HN 0.306 nan 8.190 nan 0.000 0.451 27 I N 0.366 120.908 120.570 -0.045 0.000 2.179 27 I HA -0.195 3.975 4.170 0.001 0.000 0.242 27 I C 2.486 178.555 176.117 -0.079 0.000 1.088 27 I CA 1.619 62.862 61.300 -0.096 0.000 1.357 27 I CB -1.268 36.580 38.000 -0.254 0.000 1.051 27 I HN 0.472 nan 8.210 nan 0.000 0.409 28 E N 0.895 121.052 120.200 -0.071 0.000 2.409 28 E HA -0.086 4.265 4.350 0.001 0.000 0.198 28 E C 2.050 178.633 176.600 -0.029 0.000 1.024 28 E CA 0.850 57.223 56.400 -0.044 0.000 0.861 28 E CB -0.053 29.632 29.700 -0.026 0.000 0.788 28 E HN 0.459 nan 8.360 nan 0.000 0.521 29 A N 1.182 123.987 122.820 -0.025 0.000 2.167 29 A HA 0.200 4.520 4.320 0.001 0.000 0.214 29 A C 1.595 179.163 177.584 -0.026 0.000 1.151 29 A CA 0.897 52.923 52.037 -0.019 0.000 0.735 29 A CB -0.571 18.423 19.000 -0.010 0.000 0.802 29 A HN 0.318 nan 8.150 nan 0.000 0.467 30 G N -0.710 108.073 108.800 -0.029 0.000 2.622 30 G HA2 -0.217 3.744 3.960 0.001 0.000 0.307 30 G HA3 -0.217 3.744 3.960 0.001 0.000 0.307 30 G C 1.237 176.119 174.900 -0.029 0.000 1.226 30 G CA 0.386 45.468 45.100 -0.030 0.000 0.997 30 G HN 1.362 nan 8.290 nan 0.000 0.551 31 G N 0.688 109.466 108.800 -0.035 0.000 2.956 31 G HA2 0.547 4.508 3.960 0.001 0.000 0.207 31 G HA3 0.547 4.508 3.960 0.001 0.000 0.207 31 G C 1.308 176.191 174.900 -0.028 0.000 1.162 31 G CA 1.537 46.614 45.100 -0.037 0.000 0.796 31 G HN 2.546 nan 8.290 nan 0.000 0.527 32 G N -0.607 108.178 108.800 -0.025 0.000 2.662 32 G HA2 -0.166 3.795 3.960 0.001 0.000 0.686 32 G HA3 -0.166 3.795 3.960 0.001 0.000 0.686 32 G C 0.391 175.278 174.900 -0.022 0.000 1.271 32 G CA 0.009 45.098 45.100 -0.018 0.000 0.816 32 G HN 0.164 nan 8.290 nan 0.000 0.608 33 E N -0.093 120.099 120.200 -0.012 0.000 2.065 33 E HA -0.278 4.072 4.350 0.001 0.000 0.201 33 E C 2.565 179.158 176.600 -0.012 0.000 1.016 33 E CA 1.611 58.006 56.400 -0.009 0.000 0.818 33 E CB -0.036 29.666 29.700 0.004 0.000 0.749 33 E HN 0.561 nan 8.360 nan 0.000 0.453 34 R N 0.823 121.320 120.500 -0.005 0.000 2.094 34 R HA -0.196 4.144 4.340 0.001 0.000 0.239 34 R C 2.316 178.613 176.300 -0.006 0.000 1.137 34 R CA 1.613 57.713 56.100 -0.001 0.000 0.943 34 R CB -0.030 30.271 30.300 0.002 0.000 0.850 34 R HN 0.033 nan 8.270 nan 0.000 0.433 35 R N 0.203 120.696 120.500 -0.013 0.000 2.073 35 R HA -0.079 4.262 4.340 0.001 0.000 0.234 35 R C 2.388 178.664 176.300 -0.039 0.000 1.134 35 R CA 1.382 57.476 56.100 -0.010 0.000 0.952 35 R CB -0.869 29.421 30.300 -0.017 0.000 0.850 35 R HN 0.208 nan 8.270 nan 0.000 0.433 36 V N 1.763 121.628 119.914 -0.083 0.000 2.287 36 V HA -0.242 3.879 4.120 0.001 0.000 0.248 36 V C 2.197 178.129 176.094 -0.269 0.000 1.053 36 V CA 1.878 64.055 62.300 -0.205 0.000 1.027 36 V CB -0.441 31.271 31.823 -0.185 0.000 0.646 36 V HN 0.380 nan 8.190 nan 0.000 0.447 37 E N -0.299 119.843 120.200 -0.096 0.000 2.110 37 E HA -0.273 4.078 4.350 0.001 0.000 0.193 37 E C 2.259 178.867 176.600 0.014 0.000 0.988 37 E CA 1.334 57.735 56.400 0.003 0.000 0.804 37 E CB -0.155 29.568 29.700 0.038 0.000 0.745 37 E HN 0.535 nan 8.360 nan 0.000 0.458 38 K N 1.020 121.419 120.400 -0.002 0.000 2.026 38 K HA -0.272 4.049 4.320 0.001 0.000 0.208 38 K C 2.296 178.908 176.600 0.020 0.000 1.048 38 K CA 1.569 57.870 56.287 0.024 0.000 0.929 38 K CB 0.034 32.558 32.500 0.039 0.000 0.713 38 K HN -0.076 nan 8.250 nan 0.000 0.439 39 Q N 0.433 120.221 119.800 -0.019 0.000 2.045 39 Q HA -0.222 4.118 4.340 0.001 0.000 0.206 39 Q C 1.687 177.701 176.000 0.022 0.000 0.991 39 Q CA 2.297 58.083 55.803 -0.029 0.000 0.851 39 Q CB -0.352 28.328 28.738 -0.098 0.000 0.911 39 Q HN 0.599 nan 8.270 nan 0.000 0.418 40 H N -0.838 118.234 119.070 0.002 0.000 2.352 40 H HA -0.110 4.447 4.556 0.000 0.000 0.299 40 H C 2.191 177.515 175.328 -0.006 0.000 1.097 40 H CA 1.227 57.270 56.048 -0.008 0.000 1.311 40 H CB 0.003 29.761 29.762 -0.008 0.000 1.377 40 H HN 0.501 nan 8.280 nan 0.000 0.504 41 S N 0.588 116.364 115.700 0.127 0.000 2.474 41 S HA -0.137 4.334 4.470 0.001 0.000 0.235 41 S C 1.613 176.240 174.600 0.045 0.000 0.997 41 S CA 0.773 59.015 58.200 0.069 0.000 0.949 41 S CB -0.012 63.219 63.200 0.052 0.000 0.766 41 S HN 0.495 nan 8.310 nan 0.000 0.517 42 Q N 0.803 120.628 119.800 0.041 0.000 2.365 42 Q HA 0.307 4.647 4.340 0.001 0.000 0.203 42 Q C 0.926 176.938 176.000 0.020 0.000 0.929 42 Q CA 0.153 55.967 55.803 0.019 0.000 0.948 42 Q CB 0.044 28.779 28.738 -0.005 0.000 1.043 42 Q HN 0.759 nan 8.270 nan 0.000 0.505 43 G N 1.835 110.656 108.800 0.035 0.000 2.212 43 G HA2 -0.273 3.687 3.960 0.001 0.000 0.255 43 G HA3 -0.273 3.687 3.960 0.001 0.000 0.255 43 G C -0.362 174.553 174.900 0.026 0.000 1.062 43 G CA 0.109 45.225 45.100 0.026 0.000 0.815 43 G HN 0.195 nan 8.290 nan 0.000 0.497 44 K N -0.425 120.007 120.400 0.053 0.000 2.375 44 K HA 0.507 4.827 4.320 0.001 0.000 0.249 44 K C 0.395 177.062 176.600 0.113 0.000 0.942 44 K CA -0.808 55.504 56.287 0.042 0.000 0.806 44 K CB 1.814 34.313 32.500 -0.002 0.000 1.227 44 K HN 0.312 nan 8.250 nan 0.000 0.430 45 Q N 0.559 120.389 119.800 0.050 0.000 2.318 45 Q HA 0.184 4.524 4.340 0.001 0.000 0.222 45 Q C 0.270 176.278 176.000 0.014 0.000 1.003 45 Q CA -0.421 55.424 55.803 0.070 0.000 0.936 45 Q CB 0.969 29.676 28.738 -0.051 0.000 1.204 45 Q HN 0.689 nan 8.270 nan 0.000 0.524 46 T N -2.717 111.841 114.554 0.007 0.000 2.824 46 T HA 0.427 4.778 4.350 0.001 0.000 0.277 46 T C 1.032 175.661 174.700 -0.120 0.000 0.975 46 T CA -0.225 61.836 62.100 -0.066 0.000 0.966 46 T CB 0.890 69.714 68.868 -0.072 0.000 1.054 46 T HN 0.631 nan 8.240 nan 0.000 0.533 47 A N 0.646 123.405 122.820 -0.102 0.000 1.908 47 A HA -0.076 4.244 4.320 0.001 0.000 0.218 47 A C 2.536 179.991 177.584 -0.216 0.000 1.181 47 A CA 1.273 53.223 52.037 -0.144 0.000 0.627 47 A CB -0.754 18.214 19.000 -0.054 0.000 0.818 47 A HN 0.875 nan 8.150 nan 0.000 0.445 48 R N -0.647 119.758 120.500 -0.159 0.000 2.148 48 R HA -0.036 4.304 4.340 0.001 0.000 0.223 48 R C 2.002 178.181 176.300 -0.202 0.000 1.088 48 R CA 1.198 57.188 56.100 -0.183 0.000 0.985 48 R CB -0.205 30.034 30.300 -0.101 0.000 0.880 48 R HN 0.663 nan 8.270 nan 0.000 0.451 49 E N 0.529 120.632 120.200 -0.162 0.000 2.106 49 E HA -0.139 4.211 4.350 0.001 0.000 0.192 49 E C 2.021 178.481 176.600 -0.235 0.000 0.984 49 E CA 0.913 57.226 56.400 -0.145 0.000 0.806 49 E CB 0.107 29.767 29.700 -0.067 0.000 0.750 49 E HN 0.239 nan 8.360 nan 0.000 0.458 50 R N 0.390 120.669 120.500 -0.369 0.000 2.073 50 R HA -0.115 4.226 4.340 0.001 0.000 0.234 50 R C 2.452 178.451 176.300 -0.501 0.000 1.134 50 R CA 1.097 56.824 56.100 -0.623 0.000 0.952 50 R CB -0.322 29.218 30.300 -1.266 0.000 0.850 50 R HN 0.165 nan 8.270 nan 0.000 0.433 51 L N 0.809 121.762 121.223 -0.449 0.000 2.046 51 L HA -0.186 4.154 4.340 0.001 0.000 0.208 51 L C 1.830 178.534 176.870 -0.277 0.000 1.077 51 L CA 1.024 55.656 54.840 -0.346 0.000 0.747 51 L CB -0.543 41.151 42.059 -0.608 0.000 0.896 51 L HN 0.233 nan 8.230 nan 0.000 0.432 52 N N 0.339 118.884 118.700 -0.259 0.000 2.223 52 N HA -0.163 4.577 4.740 0.001 0.000 0.185 52 N C 1.463 176.889 175.510 -0.139 0.000 1.016 52 N CA 1.274 54.216 53.050 -0.180 0.000 0.863 52 N CB -0.458 37.940 38.487 -0.148 0.000 0.983 52 N HN 0.493 nan 8.380 nan 0.000 0.429 53 N N -0.067 118.552 118.700 -0.134 0.000 2.333 53 N HA -0.000 4.740 4.740 0.001 0.000 0.178 53 N C 1.593 177.071 175.510 -0.054 0.000 1.018 53 N CA 0.058 53.052 53.050 -0.093 0.000 0.882 53 N CB 0.165 38.597 38.487 -0.093 0.000 0.984 53 N HN 0.029 nan 8.380 nan 0.000 0.434 54 L N 1.111 122.317 121.223 -0.029 0.000 2.068 54 L HA 0.136 4.477 4.340 0.001 0.000 0.204 54 L C 0.257 177.120 176.870 -0.011 0.000 1.076 54 L CA 1.111 55.969 54.840 0.029 0.000 0.753 54 L CB -0.171 41.982 42.059 0.156 0.000 0.910 54 L HN -0.004 nan 8.230 nan 0.000 0.439 55 L N 0.500 121.704 121.223 -0.032 0.000 2.418 55 L HA 0.210 4.550 4.340 0.001 0.000 0.265 55 L C -0.072 176.777 176.870 -0.034 0.000 1.143 55 L CA -1.014 53.813 54.840 -0.021 0.000 0.809 55 L CB 0.120 42.178 42.059 -0.001 0.000 1.124 55 L HN 0.068 nan 8.230 nan 0.000 0.456 56 D N 1.529 121.918 120.400 -0.018 0.000 2.419 56 D HA 0.072 4.712 4.640 0.001 0.000 0.236 56 D C -2.199 174.072 176.300 -0.049 0.000 1.165 56 D CA -0.776 53.209 54.000 -0.026 0.000 0.882 56 D CB 0.110 40.908 40.800 -0.004 0.000 1.201 56 D HN 0.232 nan 8.370 nan 0.000 0.443 57 P HA -0.053 nan 4.420 nan 0.000 0.260 57 P C -0.385 176.810 177.300 -0.175 0.000 1.172 57 P CA 0.635 63.589 63.100 -0.245 0.000 0.760 57 P CB 0.022 31.613 31.700 -0.182 0.000 0.773 58 H N 0.150 119.243 119.070 0.038 0.000 3.010 58 H HA -0.196 4.360 4.556 0.000 0.000 0.272 58 H C 1.141 176.505 175.328 0.059 0.000 1.151 58 H CA 1.049 57.127 56.048 0.050 0.000 1.159 58 H CB -2.179 27.601 29.762 0.029 0.000 1.295 58 H HN 0.472 nan 8.280 nan 0.000 0.344 59 S N -1.063 114.705 115.700 0.113 0.000 2.528 59 S HA 0.006 4.476 4.470 0.001 0.000 0.219 59 S C 0.570 175.255 174.600 0.142 0.000 0.985 59 S CA -0.241 58.020 58.200 0.102 0.000 0.914 59 S CB 0.201 63.441 63.200 0.067 0.000 0.776 59 S HN 0.316 nan 8.310 nan 0.000 0.526 60 F N 3.717 123.663 119.950 -0.007 0.000 2.504 60 F HA 0.427 4.954 4.527 0.000 0.000 0.369 60 F C -0.113 175.687 175.800 -0.001 0.000 1.082 60 F CA -1.212 56.780 58.000 -0.012 0.000 1.216 60 F CB 0.541 39.531 39.000 -0.017 0.000 1.108 60 F HN 0.032 nan 8.300 nan 0.000 0.554 61 D N 5.790 125.848 120.400 -0.570 0.000 2.454 61 D HA 0.104 4.745 4.640 0.001 0.000 0.247 61 D C -0.626 175.159 176.300 -0.859 0.000 1.129 61 D CA -0.317 53.378 54.000 -0.507 0.000 0.877 61 D CB 0.507 41.161 40.800 -0.243 0.000 1.082 61 D HN 0.701 nan 8.370 nan 0.000 0.537 62 E N 2.137 121.770 120.200 -0.945 0.000 2.354 62 E HA 0.366 4.716 4.350 0.001 0.000 0.269 62 E C -0.927 175.510 176.600 -0.271 0.000 1.036 62 E CA -0.572 55.384 56.400 -0.740 0.000 0.876 62 E CB 1.135 30.590 29.700 -0.408 0.000 1.009 62 E HN 0.126 nan 8.360 nan 0.000 0.416 63 V N 3.291 123.122 119.914 -0.138 0.000 2.487 63 V HA 0.475 4.595 4.120 0.001 0.000 0.298 63 V C 0.668 176.769 176.094 0.012 0.000 1.028 63 V CA 0.211 62.490 62.300 -0.035 0.000 0.860 63 V CB 1.335 33.156 31.823 -0.003 0.000 0.991 63 V HN 1.014 nan 8.190 nan 0.000 0.427 64 G N 3.824 112.646 108.800 0.037 0.000 2.147 64 G HA2 -0.166 3.794 3.960 0.001 0.000 0.244 64 G HA3 -0.166 3.794 3.960 0.001 0.000 0.244 64 G C 0.940 175.854 174.900 0.024 0.000 1.005 64 G CA 0.495 45.626 45.100 0.053 0.000 0.713 64 G HN 1.361 nan 8.290 nan 0.000 0.515 65 A N -0.364 122.436 122.820 -0.033 0.000 1.883 65 A HA 0.242 4.563 4.320 0.001 0.000 0.217 65 A C 1.805 179.224 177.584 -0.275 0.000 1.186 65 A CA 2.053 53.968 52.037 -0.203 0.000 0.624 65 A CB -0.382 18.386 19.000 -0.387 0.000 0.822 65 A HN 0.820 nan 8.150 nan 0.000 0.444 66 F N -0.475 119.489 119.950 0.023 0.000 2.797 66 F HA 0.218 4.745 4.527 0.000 0.000 0.302 66 F C 1.157 176.970 175.800 0.022 0.000 1.130 66 F CA -0.053 57.959 58.000 0.021 0.000 1.387 66 F CB -0.100 38.907 39.000 0.011 0.000 1.107 66 F HN 0.056 nan 8.300 nan 0.000 0.577 67 R N 1.924 122.513 120.500 0.148 0.000 2.590 67 R HA 0.213 4.553 4.340 0.001 0.000 0.274 67 R C -0.440 175.919 176.300 0.098 0.000 1.061 67 R CA 0.243 56.408 56.100 0.107 0.000 1.081 67 R CB 0.492 30.839 30.300 0.078 0.000 0.984 67 R HN 0.080 nan 8.270 nan 0.000 0.448 68 K N 2.463 122.911 120.400 0.081 0.000 2.385 68 K HA 0.222 4.542 4.320 0.001 0.000 0.248 68 K C -0.835 175.803 176.600 0.062 0.000 0.955 68 K CA -1.062 55.276 56.287 0.086 0.000 0.816 68 K CB 1.492 34.010 32.500 0.029 0.000 1.250 68 K HN 0.719 nan 8.250 nan 0.000 0.434 69 H N 1.020 120.104 119.070 0.023 0.000 2.771 69 H HA 0.172 4.728 4.556 0.000 0.000 0.364 69 H C -0.109 175.228 175.328 0.014 0.000 1.133 69 H CA 0.138 56.196 56.048 0.017 0.000 1.423 69 H CB 0.910 30.680 29.762 0.014 0.000 1.425 69 H HN 0.590 nan 8.280 nan 0.000 0.606 70 R N 0.552 121.035 120.500 -0.027 0.000 2.437 70 R HA 0.076 4.416 4.340 0.001 0.000 0.257 70 R C 0.289 176.577 176.300 -0.020 0.000 0.927 70 R CA 0.314 56.365 56.100 -0.082 0.000 1.078 70 R CB 0.397 30.679 30.300 -0.031 0.000 1.161 70 R HN 0.789 nan 8.270 nan 0.000 0.529 71 T N -0.949 113.665 114.554 0.099 0.000 2.856 71 T HA 0.090 4.440 4.350 0.001 0.000 0.306 71 T C 1.235 176.011 174.700 0.127 0.000 1.062 71 T CA 0.251 62.426 62.100 0.126 0.000 1.083 71 T CB 1.526 70.490 68.868 0.161 0.000 0.984 71 T HN 0.197 nan 8.240 nan 0.000 0.542 72 T N -1.759 112.838 114.554 0.071 0.000 3.028 72 T HA 0.275 4.625 4.350 0.001 0.000 0.262 72 T C 0.650 175.353 174.700 0.005 0.000 0.916 72 T CA -0.512 61.612 62.100 0.040 0.000 0.873 72 T CB -0.191 68.674 68.868 -0.006 0.000 1.232 72 T HN 0.506 nan 8.240 nan 0.000 0.529 73 L N 1.621 122.837 121.223 -0.013 0.000 2.473 73 L HA 0.351 4.692 4.340 0.001 0.000 0.268 73 L C 0.162 177.025 176.870 -0.011 0.000 1.215 73 L CA -0.549 54.210 54.840 -0.136 0.000 0.823 73 L CB -0.438 41.528 42.059 -0.155 0.000 1.099 73 L HN 0.233 nan 8.230 nan 0.000 0.483 74 F N 1.541 121.497 119.950 0.010 0.000 2.907 74 F HA -0.226 4.302 4.527 0.000 0.000 0.244 74 F C 1.351 177.153 175.800 0.005 0.000 1.007 74 F CA 0.983 58.986 58.000 0.005 0.000 0.872 74 F CB -2.083 36.916 39.000 -0.000 0.000 0.767 74 F HN 0.819 nan 8.300 nan 0.000 0.837 75 G N -1.750 107.107 108.800 0.095 0.000 2.225 75 G HA2 -0.372 3.589 3.960 0.001 0.000 0.254 75 G HA3 -0.372 3.589 3.960 0.001 0.000 0.254 75 G C 0.932 175.879 174.900 0.078 0.000 0.988 75 G CA 0.232 45.377 45.100 0.076 0.000 0.625 75 G HN 0.329 nan 8.290 nan 0.000 0.527 76 M N 1.903 121.562 119.600 0.098 0.000 2.358 76 M HA 0.016 4.497 4.480 0.001 0.000 0.264 76 M C 2.256 178.697 176.300 0.237 0.000 1.064 76 M CA 1.883 57.268 55.300 0.143 0.000 1.093 76 M CB -0.973 31.717 32.600 0.150 0.000 1.401 76 M HN 0.636 nan 8.290 nan 0.000 0.440 77 D N 0.021 120.491 120.400 0.116 0.000 2.219 77 D HA -0.186 4.454 4.640 0.001 0.000 0.205 77 D C 1.285 177.627 176.300 0.070 0.000 0.970 77 D CA 1.125 55.167 54.000 0.069 0.000 0.851 77 D CB -0.263 40.547 40.800 0.017 0.000 0.943 77 D HN 0.363 nan 8.370 nan 0.000 0.488 78 K N -0.172 120.274 120.400 0.076 0.000 2.374 78 K HA 0.337 4.657 4.320 0.001 0.000 0.202 78 K C 0.411 177.058 176.600 0.080 0.000 1.040 78 K CA -0.157 56.167 56.287 0.062 0.000 1.085 78 K CB 1.341 33.863 32.500 0.037 0.000 0.873 78 K HN 0.078 nan 8.250 nan 0.000 0.539 79 A N 1.541 124.428 122.820 0.110 0.000 2.440 79 A HA 0.291 4.611 4.320 0.001 0.000 0.251 79 A C 0.050 177.712 177.584 0.131 0.000 1.089 79 A CA -0.246 51.837 52.037 0.075 0.000 0.779 79 A CB 0.412 19.413 19.000 0.002 0.000 1.022 79 A HN -0.010 nan 8.150 nan 0.000 0.492 80 V N 3.668 123.627 119.914 0.074 0.000 2.350 80 V HA 0.363 4.483 4.120 0.001 0.000 0.276 80 V C -0.311 175.808 176.094 0.042 0.000 1.028 80 V CA -0.271 62.083 62.300 0.090 0.000 0.860 80 V CB 1.110 32.966 31.823 0.056 0.000 0.990 80 V HN 0.576 nan 8.190 nan 0.000 0.453 81 V N 7.092 127.046 119.914 0.066 0.000 2.327 81 V HA 0.303 4.423 4.120 0.001 0.000 0.272 81 V C -2.478 173.639 176.094 0.039 0.000 1.019 81 V CA -1.826 60.472 62.300 -0.004 0.000 0.814 81 V CB 1.383 33.125 31.823 -0.135 0.000 1.040 81 V HN 0.703 nan 8.190 nan 0.000 0.440 82 P HA 0.107 nan 4.420 nan 0.000 0.261 82 P C 0.869 178.169 177.300 -0.000 0.000 1.183 82 P CA 1.023 64.125 63.100 0.003 0.000 0.761 82 P CB 0.648 32.336 31.700 -0.019 0.000 0.785 83 A N 4.313 127.133 122.820 0.000 0.000 2.799 83 A HA -0.291 4.029 4.320 0.001 0.000 0.274 83 A C 1.248 178.853 177.584 0.035 0.000 1.393 83 A CA 1.384 53.426 52.037 0.007 0.000 0.909 83 A CB -2.591 16.401 19.000 -0.013 0.000 1.012 83 A HN 0.629 nan 8.150 nan 0.000 0.653 84 D N -3.855 116.573 120.400 0.046 0.000 2.955 84 D HA -0.050 4.591 4.640 0.001 0.000 0.226 84 D C 1.606 177.919 176.300 0.021 0.000 1.178 84 D CA 3.151 57.175 54.000 0.040 0.000 0.808 84 D CB -1.329 39.514 40.800 0.070 0.000 1.099 84 D HN 2.438 nan 8.370 nan 0.000 0.421 85 G N -2.569 106.241 108.800 0.015 0.000 2.141 85 G HA2 -0.105 3.855 3.960 0.001 0.000 0.242 85 G HA3 -0.105 3.855 3.960 0.001 0.000 0.242 85 G C 0.165 175.100 174.900 0.058 0.000 0.982 85 G CA 0.338 45.452 45.100 0.022 0.000 0.662 85 G HN 1.195 nan 8.290 nan 0.000 0.527 86 V N -0.100 119.848 119.914 0.056 0.000 2.888 86 V HA 0.703 4.824 4.120 0.001 0.000 0.309 86 V C -0.579 175.545 176.094 0.050 0.000 1.114 86 V CA -0.616 61.724 62.300 0.067 0.000 0.940 86 V CB 2.399 34.266 31.823 0.074 0.000 1.021 86 V HN 0.582 nan 8.190 nan 0.000 0.426 87 V N 5.474 125.418 119.914 0.050 0.000 2.347 87 V HA 0.697 4.817 4.120 0.001 0.000 0.280 87 V C 0.202 176.374 176.094 0.131 0.000 1.021 87 V CA -0.048 62.305 62.300 0.088 0.000 0.847 87 V CB 1.539 33.387 31.823 0.042 0.000 0.990 87 V HN 1.051 nan 8.190 nan 0.000 0.444 88 T N 1.359 116.034 114.554 0.202 0.000 2.893 88 T HA 0.973 5.323 4.350 0.001 0.000 0.291 88 T C -0.072 174.792 174.700 0.272 0.000 1.028 88 T CA -0.124 62.104 62.100 0.212 0.000 0.995 88 T CB 2.267 71.197 68.868 0.103 0.000 1.051 88 T HN 1.316 nan 8.240 nan 0.000 0.470 89 G N 1.310 110.283 108.800 0.289 0.000 2.323 89 G HA2 0.510 4.470 3.960 0.001 0.000 0.291 89 G HA3 0.510 4.470 3.960 0.001 0.000 0.291 89 G C -1.732 173.240 174.900 0.120 0.000 1.278 89 G CA -0.933 44.216 45.100 0.082 0.000 0.860 89 G HN 0.988 nan 8.290 nan 0.000 0.504 90 R N -0.748 119.693 120.500 -0.098 0.000 2.873 90 R HA 0.915 5.255 4.340 0.001 0.000 0.264 90 R C 0.187 176.481 176.300 -0.009 0.000 1.026 90 R CA -0.382 55.605 56.100 -0.188 0.000 1.002 90 R CB 2.031 32.079 30.300 -0.419 0.000 1.174 90 R HN 1.658 nan 8.270 nan 0.000 0.488 91 G N -0.191 108.611 108.800 0.003 0.000 2.578 91 G HA2 0.503 4.463 3.960 0.001 0.000 0.302 91 G HA3 0.503 4.463 3.960 0.001 0.000 0.302 91 G C -1.367 173.547 174.900 0.022 0.000 1.243 91 G CA -0.290 44.856 45.100 0.075 0.000 0.843 91 G HN 0.824 nan 8.290 nan 0.000 0.486 92 T N -2.013 112.560 114.554 0.033 0.000 2.903 92 T HA 0.753 5.104 4.350 0.001 0.000 0.299 92 T C -1.017 173.688 174.700 0.007 0.000 1.093 92 T CA -0.609 61.499 62.100 0.014 0.000 1.002 92 T CB 2.008 70.883 68.868 0.012 0.000 1.127 92 T HN 0.585 nan 8.240 nan 0.000 0.488 93 I N 2.722 123.290 120.570 -0.003 0.000 2.468 93 I HA 0.326 4.496 4.170 0.001 0.000 0.284 93 I C -0.531 175.572 176.117 -0.023 0.000 1.038 93 I CA -1.006 60.283 61.300 -0.018 0.000 1.083 93 I CB 1.621 39.605 38.000 -0.028 0.000 1.223 93 I HN 0.668 nan 8.210 nan 0.000 0.443 94 L N 6.707 127.914 121.223 -0.027 0.000 3.737 94 L HA -0.263 4.077 4.340 0.001 0.000 0.418 94 L C 1.258 178.119 176.870 -0.016 0.000 1.216 94 L CA 1.392 56.215 54.840 -0.028 0.000 0.915 94 L CB -1.775 40.258 42.059 -0.043 0.000 1.834 94 L HN 1.082 nan 8.230 nan 0.000 0.943 95 G N -1.728 107.068 108.800 -0.007 0.000 2.205 95 G HA2 -0.348 3.612 3.960 0.001 0.000 0.261 95 G HA3 -0.348 3.612 3.960 0.001 0.000 0.261 95 G C 0.557 175.460 174.900 0.004 0.000 0.980 95 G CA 0.358 45.458 45.100 0.001 0.000 0.632 95 G HN 0.503 nan 8.290 nan 0.000 0.533 96 R N 1.268 121.769 120.500 0.002 0.000 2.265 96 R HA 0.435 4.775 4.340 0.001 0.000 0.314 96 R C -2.564 173.745 176.300 0.015 0.000 1.053 96 R CA -1.719 54.386 56.100 0.010 0.000 0.931 96 R CB 0.749 31.052 30.300 0.005 0.000 1.024 96 R HN 0.123 nan 8.270 nan 0.000 0.457 97 P HA -0.030 nan 4.420 nan 0.000 0.268 97 P C -0.765 176.557 177.300 0.038 0.000 1.204 97 P CA -0.074 63.036 63.100 0.017 0.000 0.768 97 P CB 0.856 32.573 31.700 0.028 0.000 0.842 98 V N 0.810 120.730 119.914 0.011 0.000 3.181 98 V HA 0.636 4.756 4.120 0.001 0.000 0.308 98 V C -1.116 174.978 176.094 0.001 0.000 1.214 98 V CA -0.857 61.486 62.300 0.072 0.000 1.053 98 V CB 2.192 34.049 31.823 0.056 0.000 1.069 98 V HN 0.415 nan 8.190 nan 0.000 0.441 99 H N 0.361 119.525 119.070 0.157 0.000 2.622 99 H HA 0.974 5.530 4.556 0.001 0.000 0.363 99 H C 0.023 175.478 175.328 0.213 0.000 1.151 99 H CA 0.541 56.722 56.048 0.221 0.000 1.184 99 H CB 1.985 31.912 29.762 0.275 0.000 1.643 99 H HN 1.314 nan 8.280 nan 0.000 0.531 100 A N 1.083 124.073 122.820 0.282 0.000 2.606 100 A HA 0.860 5.180 4.320 0.001 0.000 0.293 100 A C -1.524 176.092 177.584 0.053 0.000 1.082 100 A CA -0.140 51.915 52.037 0.031 0.000 0.685 100 A CB 1.300 20.302 19.000 0.003 0.000 1.284 100 A HN 0.821 nan 8.150 nan 0.000 0.408 101 A N -0.138 122.561 122.820 -0.202 0.000 2.498 101 A HA 0.923 5.244 4.320 0.001 0.000 0.298 101 A C -0.491 177.032 177.584 -0.101 0.000 1.075 101 A CA -0.135 51.731 52.037 -0.285 0.000 0.714 101 A CB 1.669 20.131 19.000 -0.898 0.000 1.299 101 A HN 1.980 nan 8.150 nan 0.000 0.407 102 S N 0.546 116.259 115.700 0.023 0.000 2.720 102 S HA 0.370 4.840 4.470 0.001 0.000 0.278 102 S C -1.098 173.600 174.600 0.164 0.000 1.172 102 S CA -0.389 57.924 58.200 0.189 0.000 1.019 102 S CB 0.845 64.069 63.200 0.041 0.000 1.049 102 S HN 0.705 nan 8.310 nan 0.000 0.483 103 Q N 2.216 122.177 119.800 0.267 0.000 2.314 103 Q HA 0.206 4.546 4.340 0.001 0.000 0.258 103 Q C -0.851 175.237 176.000 0.148 0.000 0.954 103 Q CA -0.165 55.769 55.803 0.219 0.000 0.890 103 Q CB 0.754 29.652 28.738 0.266 0.000 1.210 103 Q HN 0.531 nan 8.270 nan 0.000 0.410 104 D N 2.484 122.950 120.400 0.111 0.000 2.485 104 D HA 0.035 4.675 4.640 0.001 0.000 0.221 104 D C -0.063 176.296 176.300 0.098 0.000 1.112 104 D CA -0.368 53.679 54.000 0.079 0.000 0.911 104 D CB 0.106 40.922 40.800 0.027 0.000 1.019 104 D HN 0.485 nan 8.370 nan 0.000 0.516 105 F N 2.408 122.365 119.950 0.011 0.000 2.307 105 F HA -0.186 4.341 4.527 0.000 0.000 0.301 105 F C 2.304 178.101 175.800 -0.005 0.000 1.076 105 F CA 1.778 59.786 58.000 0.012 0.000 1.383 105 F CB -0.026 38.982 39.000 0.013 0.000 1.055 105 F HN 0.380 nan 8.300 nan 0.000 0.526 106 T N -2.452 112.119 114.554 0.029 0.000 3.113 106 T HA 0.025 4.375 4.350 0.001 0.000 0.263 106 T C 0.605 175.233 174.700 -0.119 0.000 1.143 106 T CA 0.541 62.614 62.100 -0.046 0.000 1.090 106 T CB -0.843 68.015 68.868 -0.016 0.000 0.922 106 T HN -0.078 nan 8.240 nan 0.000 0.521 107 V N 2.824 122.658 119.914 -0.134 0.000 2.293 107 V HA 0.388 4.509 4.120 0.001 0.000 0.275 107 V C 0.380 176.367 176.094 -0.178 0.000 1.021 107 V CA -0.772 61.454 62.300 -0.123 0.000 0.815 107 V CB 0.370 32.151 31.823 -0.070 0.000 1.025 107 V HN 0.563 nan 8.190 nan 0.000 0.448 108 M N 3.480 122.965 119.600 -0.193 0.000 2.206 108 M HA -0.224 4.256 4.480 0.001 0.000 0.197 108 M C 1.253 177.376 176.300 -0.295 0.000 0.375 108 M CA 1.063 56.242 55.300 -0.201 0.000 0.410 108 M CB -1.351 31.163 32.600 -0.144 0.000 1.204 108 M HN 1.136 nan 8.290 nan 0.000 0.932 109 G N -0.663 107.797 108.800 -0.566 0.000 2.296 109 G HA2 -0.068 3.892 3.960 0.001 0.000 0.282 109 G HA3 -0.068 3.892 3.960 0.001 0.000 0.282 109 G C 1.042 175.596 174.900 -0.577 0.000 1.014 109 G CA 0.993 45.458 45.100 -1.057 0.000 0.812 109 G HN 1.900 nan 8.290 nan 0.000 0.508 110 G N -1.441 107.184 108.800 -0.292 0.000 2.196 110 G HA2 -0.013 3.947 3.960 0.001 0.000 0.268 110 G HA3 -0.013 3.947 3.960 0.001 0.000 0.268 110 G C 0.993 175.929 174.900 0.059 0.000 0.975 110 G CA 1.412 46.524 45.100 0.020 0.000 0.648 110 G HN 2.459 nan 8.290 nan 0.000 0.538 111 S N -0.316 115.375 115.700 -0.015 0.000 2.599 111 S HA 0.397 4.867 4.470 0.001 0.000 0.303 111 S C 0.720 175.341 174.600 0.035 0.000 1.267 111 S CA 0.468 58.676 58.200 0.014 0.000 1.055 111 S CB 1.532 64.707 63.200 -0.041 0.000 0.790 111 S HN 1.941 nan 8.310 nan 0.000 0.500 112 A N 3.987 126.839 122.820 0.054 0.000 2.671 112 A HA 0.579 4.900 4.320 0.001 0.000 0.306 112 A C 0.996 178.548 177.584 -0.052 0.000 1.473 112 A CA -0.230 51.840 52.037 0.054 0.000 1.155 112 A CB -0.943 18.150 19.000 0.154 0.000 1.123 112 A HN 1.243 nan 8.150 nan 0.000 0.545 113 G N 0.774 109.564 108.800 -0.016 0.000 2.569 113 G HA2 0.287 4.248 3.960 0.001 0.000 0.249 113 G HA3 0.287 4.248 3.960 0.001 0.000 0.249 113 G C 0.776 175.669 174.900 -0.012 0.000 1.216 113 G CA 0.290 45.373 45.100 -0.029 0.000 0.845 113 G HN 0.850 nan 8.290 nan 0.000 0.568 114 E N -0.049 120.145 120.200 -0.010 0.000 2.085 114 E HA -0.178 4.172 4.350 0.001 0.000 0.194 114 E C 2.019 178.637 176.600 0.030 0.000 0.994 114 E CA 1.770 58.169 56.400 -0.001 0.000 0.801 114 E CB -0.255 29.449 29.700 0.005 0.000 0.743 114 E HN 0.441 nan 8.360 nan 0.000 0.453 115 T N 0.781 115.366 114.554 0.051 0.000 2.867 115 T HA -0.172 4.178 4.350 0.001 0.000 0.268 115 T C 1.776 176.512 174.700 0.060 0.000 1.057 115 T CA 1.278 63.414 62.100 0.060 0.000 1.136 115 T CB -0.171 68.749 68.868 0.085 0.000 0.874 115 T HN 0.298 nan 8.240 nan 0.000 0.466 116 Q N 0.881 120.719 119.800 0.064 0.000 2.030 116 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 116 Q C 2.400 178.456 176.000 0.093 0.000 0.986 116 Q CA 1.697 57.547 55.803 0.078 0.000 0.843 116 Q CB -0.179 28.614 28.738 0.090 0.000 0.904 116 Q HN 0.400 nan 8.270 nan 0.000 0.420 117 S N -0.085 115.678 115.700 0.105 0.000 2.399 117 S HA -0.122 4.348 4.470 0.001 0.000 0.231 117 S C 1.897 176.544 174.600 0.078 0.000 1.022 117 S CA 1.531 59.808 58.200 0.129 0.000 0.983 117 S CB -0.330 62.950 63.200 0.134 0.000 0.803 117 S HN 0.480 nan 8.310 nan 0.000 0.480 118 T N 2.100 116.686 114.554 0.053 0.000 2.821 118 T HA -0.032 4.318 4.350 0.001 0.000 0.267 118 T C 1.764 176.480 174.700 0.027 0.000 1.046 118 T CA 1.020 63.141 62.100 0.034 0.000 1.139 118 T CB -0.118 68.767 68.868 0.029 0.000 0.871 118 T HN 0.409 nan 8.240 nan 0.000 0.454 119 K N 0.538 120.958 120.400 0.034 0.000 2.025 119 K HA -0.029 4.291 4.320 0.001 0.000 0.207 119 K C 2.332 178.935 176.600 0.006 0.000 1.049 119 K CA 0.932 57.235 56.287 0.027 0.000 0.933 119 K CB -0.407 32.115 32.500 0.037 0.000 0.714 119 K HN 0.139 nan 8.250 nan 0.000 0.438 120 V N 1.133 121.049 119.914 0.003 0.000 2.295 120 V HA -0.234 3.886 4.120 0.001 0.000 0.246 120 V C 2.303 178.346 176.094 -0.085 0.000 1.049 120 V CA 1.556 63.830 62.300 -0.044 0.000 1.024 120 V CB -0.377 31.455 31.823 0.014 0.000 0.648 120 V HN 0.088 nan 8.190 nan 0.000 0.447 121 V N 0.036 119.931 119.914 -0.032 0.000 2.332 121 V HA -0.283 3.838 4.120 0.001 0.000 0.248 121 V C 2.456 178.499 176.094 -0.086 0.000 1.055 121 V CA 2.178 64.447 62.300 -0.053 0.000 1.038 121 V CB -0.718 31.110 31.823 0.008 0.000 0.651 121 V HN 0.650 nan 8.190 nan 0.000 0.450 122 E N -0.226 119.943 120.200 -0.051 0.000 2.077 122 E HA -0.198 4.152 4.350 0.001 0.000 0.193 122 E C 2.262 178.813 176.600 -0.083 0.000 0.989 122 E CA 1.806 58.178 56.400 -0.047 0.000 0.800 122 E CB -0.355 29.339 29.700 -0.011 0.000 0.746 122 E HN 0.592 nan 8.360 nan 0.000 0.452 123 T N 1.360 115.864 114.554 -0.083 0.000 2.708 123 T HA -0.144 4.206 4.350 0.001 0.000 0.266 123 T C 1.950 176.467 174.700 -0.305 0.000 1.037 123 T CA 1.200 63.258 62.100 -0.070 0.000 1.146 123 T CB -0.139 68.764 68.868 0.059 0.000 0.865 123 T HN 0.123 nan 8.240 nan 0.000 0.435 124 M N 0.798 120.105 119.600 -0.489 0.000 2.108 124 M HA -0.091 4.389 4.480 0.001 0.000 0.261 124 M C 2.427 178.515 176.300 -0.355 0.000 1.066 124 M CA 1.368 56.276 55.300 -0.654 0.000 1.107 124 M CB -0.322 31.910 32.600 -0.613 0.000 1.356 124 M HN 0.113 nan 8.290 nan 0.000 0.406 125 E N 0.124 120.185 120.200 -0.231 0.000 2.150 125 E HA -0.163 4.187 4.350 0.001 0.000 0.193 125 E C 2.117 178.609 176.600 -0.180 0.000 0.985 125 E CA 0.971 57.282 56.400 -0.148 0.000 0.814 125 E CB -0.220 29.431 29.700 -0.080 0.000 0.752 125 E HN 0.522 nan 8.360 nan 0.000 0.466 126 Q N 0.237 119.882 119.800 -0.258 0.000 2.119 126 Q HA -0.018 4.322 4.340 0.001 0.000 0.201 126 Q C 2.122 177.794 176.000 -0.546 0.000 0.972 126 Q CA 1.267 56.874 55.803 -0.326 0.000 0.847 126 Q CB -0.566 28.005 28.738 -0.277 0.000 0.903 126 Q HN 0.250 nan 8.270 nan 0.000 0.433 127 A N 0.776 123.170 122.820 -0.709 0.000 1.902 127 A HA -0.157 4.163 4.320 0.001 0.000 0.217 127 A C 2.143 179.643 177.584 -0.140 0.000 1.181 127 A CA 1.396 53.184 52.037 -0.416 0.000 0.623 127 A CB -0.693 18.199 19.000 -0.180 0.000 0.818 127 A HN 0.332 nan 8.150 nan 0.000 0.443 128 L N -0.740 120.403 121.223 -0.133 0.000 1.994 128 L HA -0.121 4.219 4.340 0.001 0.000 0.208 128 L C 2.271 179.121 176.870 -0.034 0.000 1.071 128 L CA 2.119 56.927 54.840 -0.054 0.000 0.745 128 L CB -0.648 41.375 42.059 -0.059 0.000 0.892 128 L HN 0.345 nan 8.230 nan 0.000 0.431 129 L N -0.469 120.721 121.223 -0.054 0.000 2.042 129 L HA -0.199 4.141 4.340 0.001 0.000 0.210 129 L C 2.375 179.246 176.870 0.001 0.000 1.076 129 L CA 2.580 57.405 54.840 -0.024 0.000 0.749 129 L CB -1.061 40.979 42.059 -0.031 0.000 0.893 129 L HN 0.660 nan 8.230 nan 0.000 0.432 130 T N -3.864 110.693 114.554 0.007 0.000 3.086 130 T HA 0.325 4.676 4.350 0.001 0.000 0.250 130 T C 1.243 175.984 174.700 0.068 0.000 1.074 130 T CA 0.220 62.353 62.100 0.055 0.000 0.988 130 T CB -0.405 68.534 68.868 0.117 0.000 0.988 130 T HN 0.673 nan 8.240 nan 0.000 0.530 131 G N 2.160 110.994 108.800 0.057 0.000 2.298 131 G HA2 -0.162 3.799 3.960 0.001 0.000 0.287 131 G HA3 -0.162 3.799 3.960 0.001 0.000 0.287 131 G C 0.031 174.996 174.900 0.107 0.000 1.075 131 G CA 0.281 45.428 45.100 0.079 0.000 0.960 131 G HN 1.218 nan 8.290 nan 0.000 0.502 132 T N -2.413 112.218 114.554 0.128 0.000 2.907 132 T HA 0.760 5.110 4.350 0.001 0.000 0.292 132 T C -2.721 172.091 174.700 0.186 0.000 1.043 132 T CA -2.104 60.097 62.100 0.168 0.000 1.003 132 T CB 3.383 72.403 68.868 0.253 0.000 1.084 132 T HN -0.002 nan 8.240 nan 0.000 0.483 133 P HA 0.301 nan 4.420 nan 0.000 0.269 133 P C -1.307 176.152 177.300 0.265 0.000 1.217 133 P CA -0.308 62.885 63.100 0.155 0.000 0.783 133 P CB 0.217 31.960 31.700 0.072 0.000 0.898 134 F N 2.753 122.752 119.950 0.083 0.000 2.507 134 F HA 0.523 5.051 4.527 0.001 0.000 0.328 134 F C -1.570 174.276 175.800 0.077 0.000 1.136 134 F CA -0.881 57.175 58.000 0.093 0.000 0.930 134 F CB 0.806 39.858 39.000 0.087 0.000 1.166 134 F HN -0.002 nan 8.300 nan 0.000 0.436 135 L N 7.090 127.958 121.223 -0.592 0.000 2.346 135 L HA 0.519 4.859 4.340 0.001 0.000 0.276 135 L C -1.240 175.146 176.870 -0.807 0.000 1.006 135 L CA -0.546 53.955 54.840 -0.564 0.000 0.817 135 L CB 1.954 43.810 42.059 -0.339 0.000 1.272 135 L HN 0.659 nan 8.230 nan 0.000 0.421 136 F N 2.498 121.990 119.950 -0.765 0.000 2.562 136 F HA 0.513 5.040 4.527 0.000 0.000 0.319 136 F C -1.123 174.380 175.800 -0.494 0.000 1.154 136 F CA -0.759 56.853 58.000 -0.646 0.000 0.931 136 F CB 1.226 39.848 39.000 -0.630 0.000 1.198 136 F HN 0.242 nan 8.300 nan 0.000 0.444 137 F N 5.835 125.925 119.950 0.234 0.000 2.404 137 F HA 0.312 4.840 4.527 0.001 0.000 0.358 137 F C -0.715 175.077 175.800 -0.014 0.000 1.120 137 F CA -0.472 57.583 58.000 0.092 0.000 1.144 137 F CB 0.561 39.593 39.000 0.054 0.000 1.133 137 F HN 0.305 nan 8.300 nan 0.000 0.495 138 Y N 2.069 122.386 120.300 0.029 0.000 2.320 138 Y HA 0.388 4.938 4.550 0.000 0.000 0.334 138 Y C -0.047 175.871 175.900 0.029 0.000 1.055 138 Y CA -0.594 57.441 58.100 -0.109 0.000 1.143 138 Y CB 1.190 39.472 38.460 -0.296 0.000 1.193 138 Y HN 0.400 nan 8.280 nan 0.000 0.477 139 D N 1.976 122.508 120.400 0.220 0.000 2.474 139 D HA 0.217 4.857 4.640 0.001 0.000 0.234 139 D C -1.397 175.094 176.300 0.318 0.000 1.323 139 D CA -0.046 54.068 54.000 0.191 0.000 0.915 139 D CB 0.773 41.679 40.800 0.177 0.000 1.487 139 D HN 0.415 nan 8.370 nan 0.000 0.524 140 S N 0.537 116.410 115.700 0.289 0.000 2.547 140 S HA 0.625 5.095 4.470 0.001 0.000 0.270 140 S C 0.611 175.374 174.600 0.273 0.000 1.150 140 S CA -0.121 58.277 58.200 0.331 0.000 0.850 140 S CB 1.247 64.605 63.200 0.264 0.000 1.118 140 S HN 0.216 nan 8.310 nan 0.000 0.461 141 G N 0.929 109.882 108.800 0.256 0.000 3.141 141 G HA2 0.519 4.479 3.960 0.001 0.000 0.218 141 G HA3 0.519 4.479 3.960 0.001 0.000 0.218 141 G C 0.969 175.964 174.900 0.158 0.000 1.170 141 G CA 0.424 45.642 45.100 0.197 0.000 0.769 141 G HN 1.663 nan 8.290 nan 0.000 0.546 142 G N -0.762 108.153 108.800 0.192 0.000 2.500 142 G HA2 0.367 4.327 3.960 0.001 0.000 0.209 142 G HA3 0.367 4.327 3.960 0.001 0.000 0.209 142 G C 0.214 175.207 174.900 0.155 0.000 1.283 142 G CA -0.311 44.940 45.100 0.251 0.000 0.960 142 G HN 1.336 nan 8.290 nan 0.000 0.528 143 A N 0.056 122.896 122.820 0.033 0.000 2.546 143 A HA 0.520 4.840 4.320 0.001 0.000 0.243 143 A C 1.078 178.593 177.584 -0.115 0.000 1.063 143 A CA 1.127 52.999 52.037 -0.275 0.000 0.757 143 A CB -0.007 18.779 19.000 -0.357 0.000 0.991 143 A HN 1.150 nan 8.150 nan 0.000 0.503 144 R N 3.054 123.481 120.500 -0.121 0.000 2.457 144 R HA 0.102 4.443 4.340 0.001 0.000 0.335 144 R C 0.660 176.921 176.300 -0.065 0.000 1.003 144 R CA -0.014 56.042 56.100 -0.073 0.000 1.003 144 R CB -0.287 29.970 30.300 -0.072 0.000 0.950 144 R HN 0.794 nan 8.270 nan 0.000 0.428 145 I N 3.476 124.013 120.570 -0.055 0.000 2.248 145 I HA -0.348 3.822 4.170 0.001 0.000 0.248 145 I C 1.762 177.837 176.117 -0.071 0.000 1.107 145 I CA 1.350 62.612 61.300 -0.063 0.000 1.373 145 I CB -0.104 37.854 38.000 -0.071 0.000 1.055 145 I HN 0.662 nan 8.210 nan 0.000 0.418 146 Q N 0.681 120.453 119.800 -0.046 0.000 2.291 146 Q HA -0.179 4.162 4.340 0.001 0.000 0.206 146 Q C 1.483 177.554 176.000 0.118 0.000 0.976 146 Q CA 1.125 56.945 55.803 0.028 0.000 0.875 146 Q CB -0.136 28.648 28.738 0.076 0.000 0.927 146 Q HN 0.548 nan 8.270 nan 0.000 0.450 147 E N -0.745 119.483 120.200 0.046 0.000 2.474 147 E HA 0.167 4.517 4.350 0.001 0.000 0.195 147 E C 1.065 177.689 176.600 0.040 0.000 1.039 147 E CA 0.116 56.548 56.400 0.054 0.000 0.881 147 E CB 0.246 29.954 29.700 0.015 0.000 0.970 147 E HN 0.360 nan 8.360 nan 0.000 0.486 148 G N 2.997 111.813 108.800 0.027 0.000 2.698 148 G HA2 -0.423 3.537 3.960 0.001 0.000 0.337 148 G HA3 -0.423 3.537 3.960 0.001 0.000 0.337 148 G C 1.111 176.014 174.900 0.004 0.000 1.286 148 G CA 0.923 46.035 45.100 0.020 0.000 1.000 148 G HN 0.447 nan 8.290 nan 0.000 0.547 149 I N -1.308 119.273 120.570 0.018 0.000 3.001 149 I HA 0.071 4.241 4.170 0.001 0.000 0.268 149 I C 1.693 177.807 176.117 -0.005 0.000 1.267 149 I CA 2.105 63.410 61.300 0.009 0.000 1.472 149 I CB -0.407 37.604 38.000 0.019 0.000 1.089 149 I HN 0.239 nan 8.210 nan 0.000 0.468 150 D N 2.118 122.517 120.400 -0.002 0.000 2.117 150 D HA -0.145 4.496 4.640 0.001 0.000 0.198 150 D C 2.574 178.849 176.300 -0.041 0.000 0.982 150 D CA 2.031 56.025 54.000 -0.009 0.000 0.828 150 D CB -0.029 40.776 40.800 0.009 0.000 0.967 150 D HN 0.586 nan 8.370 nan 0.000 0.464 151 S N 0.541 116.198 115.700 -0.072 0.000 2.414 151 S HA -0.032 4.439 4.470 0.001 0.000 0.227 151 S C 2.168 176.629 174.600 -0.232 0.000 1.022 151 S CA 0.089 58.193 58.200 -0.160 0.000 0.958 151 S CB -0.560 62.528 63.200 -0.186 0.000 0.797 151 S HN 0.206 nan 8.310 nan 0.000 0.493 152 L N 1.412 122.554 121.223 -0.136 0.000 2.012 152 L HA -0.133 4.207 4.340 0.001 0.000 0.210 152 L C 2.856 179.703 176.870 -0.038 0.000 1.073 152 L CA 1.930 56.725 54.840 -0.075 0.000 0.748 152 L CB -0.770 41.287 42.059 -0.004 0.000 0.891 152 L HN 0.514 nan 8.230 nan 0.000 0.431 153 S N -0.387 115.293 115.700 -0.033 0.000 2.382 153 S HA -0.147 4.323 4.470 0.001 0.000 0.228 153 S C 1.926 176.512 174.600 -0.023 0.000 1.027 153 S CA 1.306 59.495 58.200 -0.018 0.000 0.991 153 S CB -0.471 62.719 63.200 -0.016 0.000 0.823 153 S HN 0.660 nan 8.310 nan 0.000 0.469 154 G N -0.472 108.303 108.800 -0.040 0.000 2.440 154 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 154 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 154 G C 1.303 176.232 174.900 0.049 0.000 1.154 154 G CA 0.938 46.035 45.100 -0.005 0.000 0.767 154 G HN 0.663 nan 8.290 nan 0.000 0.552 155 Y N 0.738 120.919 120.300 -0.199 0.000 2.200 155 Y HA -0.087 4.463 4.550 0.001 0.000 0.290 155 Y C 3.182 178.634 175.900 -0.747 0.000 1.137 155 Y CA 0.147 57.936 58.100 -0.519 0.000 1.163 155 Y CB -0.143 38.038 38.460 -0.464 0.000 0.988 155 Y HN 0.311 nan 8.280 nan 0.000 0.518 156 G N 0.450 109.153 108.800 -0.163 0.000 2.440 156 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 156 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 156 G C 1.555 176.460 174.900 0.007 0.000 1.154 156 G CA 0.921 45.998 45.100 -0.038 0.000 0.767 156 G HN 0.309 nan 8.290 nan 0.000 0.552 157 K N -0.610 119.784 120.400 -0.009 0.000 2.097 157 K HA 0.074 4.395 4.320 0.001 0.000 0.205 157 K C 2.459 179.120 176.600 0.101 0.000 1.050 157 K CA 1.093 57.409 56.287 0.048 0.000 0.938 157 K CB -0.205 32.306 32.500 0.019 0.000 0.718 157 K HN 0.360 nan 8.250 nan 0.000 0.442 158 M N 0.215 119.821 119.600 0.012 0.000 2.099 158 M HA -0.141 4.340 4.480 0.001 0.000 0.262 158 M C 1.455 177.873 176.300 0.198 0.000 1.067 158 M CA 1.637 56.980 55.300 0.073 0.000 1.124 158 M CB 0.004 32.635 32.600 0.051 0.000 1.353 158 M HN -0.033 nan 8.290 nan 0.000 0.410 159 F N -0.079 119.972 119.950 0.169 0.000 2.126 159 F HA -0.186 4.341 4.527 0.000 0.000 0.299 159 F C 2.213 178.091 175.800 0.130 0.000 1.096 159 F CA 1.103 59.179 58.000 0.126 0.000 1.255 159 F CB -1.684 37.379 39.000 0.104 0.000 0.997 159 F HN 0.194 nan 8.300 nan 0.000 0.479 160 F N 0.730 120.803 119.950 0.204 0.000 2.171 160 F HA -0.119 4.408 4.527 0.000 0.000 0.300 160 F C 2.308 178.155 175.800 0.078 0.000 1.090 160 F CA 1.352 59.419 58.000 0.112 0.000 1.293 160 F CB -0.353 38.690 39.000 0.072 0.000 1.013 160 F HN -0.070 nan 8.300 nan 0.000 0.486 161 A N 0.054 122.997 122.820 0.203 0.000 1.929 161 A HA -0.175 4.145 4.320 0.001 0.000 0.216 161 A C 1.918 179.507 177.584 0.008 0.000 1.176 161 A CA 1.830 53.910 52.037 0.071 0.000 0.628 161 A CB -1.061 17.981 19.000 0.070 0.000 0.816 161 A HN 0.558 nan 8.150 nan 0.000 0.444 162 N N -0.227 118.526 118.700 0.089 0.000 2.104 162 N HA -0.132 4.609 4.740 0.001 0.000 0.190 162 N C 1.500 177.021 175.510 0.017 0.000 1.024 162 N CA 1.551 54.662 53.050 0.102 0.000 0.853 162 N CB -0.198 38.401 38.487 0.187 0.000 1.008 162 N HN 0.254 nan 8.380 nan 0.000 0.424 163 V N 1.166 121.050 119.914 -0.051 0.000 2.427 163 V HA -0.209 3.911 4.120 0.001 0.000 0.248 163 V C 2.218 178.203 176.094 -0.181 0.000 1.051 163 V CA 1.404 63.624 62.300 -0.133 0.000 1.048 163 V CB -0.448 31.255 31.823 -0.200 0.000 0.666 163 V HN 0.312 nan 8.190 nan 0.000 0.456 164 K N -0.163 120.085 120.400 -0.253 0.000 2.057 164 K HA -0.186 4.134 4.320 0.001 0.000 0.207 164 K C 1.952 178.495 176.600 -0.096 0.000 1.049 164 K CA 1.541 57.698 56.287 -0.217 0.000 0.931 164 K CB -0.143 32.226 32.500 -0.220 0.000 0.714 164 K HN 0.300 nan 8.250 nan 0.000 0.440 165 L N 1.055 122.247 121.223 -0.051 0.000 2.395 165 L HA 0.043 4.383 4.340 0.001 0.000 0.218 165 L C 0.974 177.880 176.870 0.060 0.000 1.130 165 L CA 0.721 55.568 54.840 0.012 0.000 0.826 165 L CB -0.381 41.697 42.059 0.031 0.000 0.941 165 L HN 0.007 nan 8.230 nan 0.000 0.451 166 S N 0.042 115.757 115.700 0.025 0.000 2.546 166 S HA 0.291 4.761 4.470 0.001 0.000 0.290 166 S C 1.400 176.006 174.600 0.011 0.000 1.262 166 S CA 0.596 58.822 58.200 0.043 0.000 1.083 166 S CB -0.243 62.945 63.200 -0.020 0.000 0.859 166 S HN 0.703 nan 8.310 nan 0.000 0.495 167 G N 2.925 111.765 108.800 0.066 0.000 2.184 167 G HA2 -0.240 3.720 3.960 0.001 0.000 0.264 167 G HA3 -0.240 3.720 3.960 0.001 0.000 0.264 167 G C 0.564 175.291 174.900 -0.288 0.000 0.975 167 G CA 0.391 45.360 45.100 -0.218 0.000 0.642 167 G HN 0.816 nan 8.290 nan 0.000 0.536 168 V N -0.603 119.332 119.914 0.036 0.000 2.806 168 V HA 0.423 4.544 4.120 0.001 0.000 0.239 168 V C 1.244 177.532 176.094 0.324 0.000 1.113 168 V CA 1.411 63.752 62.300 0.069 0.000 1.137 168 V CB 0.876 32.724 31.823 0.042 0.000 0.865 168 V HN 1.182 nan 8.190 nan 0.000 0.482 169 V N -2.405 117.748 119.914 0.397 0.000 2.789 169 V HA 0.687 4.807 4.120 0.001 0.000 0.311 169 V C -3.179 173.070 176.094 0.258 0.000 1.073 169 V CA -2.808 59.694 62.300 0.338 0.000 0.921 169 V CB 1.731 33.668 31.823 0.190 0.000 1.009 169 V HN 0.106 nan 8.190 nan 0.000 0.426 170 P HA 0.295 nan 4.420 nan 0.000 0.268 170 P C -0.990 176.386 177.300 0.127 0.000 1.205 170 P CA 0.266 63.290 63.100 -0.127 0.000 0.771 170 P CB 0.242 31.794 31.700 -0.246 0.000 0.858 171 Q N 2.191 122.107 119.800 0.193 0.000 2.310 171 Q HA 0.557 4.898 4.340 0.001 0.000 0.270 171 Q C -0.709 175.388 176.000 0.162 0.000 1.025 171 Q CA -0.414 55.528 55.803 0.230 0.000 0.772 171 Q CB 1.796 30.709 28.738 0.291 0.000 1.253 171 Q HN 0.407 nan 8.270 nan 0.000 0.450 172 I N 1.673 122.295 120.570 0.087 0.000 2.433 172 I HA 0.639 4.809 4.170 0.001 0.000 0.292 172 I C -0.509 175.612 176.117 0.007 0.000 1.001 172 I CA -0.817 60.515 61.300 0.053 0.000 1.119 172 I CB 1.861 39.845 38.000 -0.026 0.000 1.289 172 I HN 0.567 nan 8.210 nan 0.000 0.438 173 A N 7.247 130.104 122.820 0.061 0.000 2.330 173 A HA 0.874 5.194 4.320 0.001 0.000 0.327 173 A C -0.851 176.745 177.584 0.021 0.000 1.155 173 A CA -0.392 51.717 52.037 0.120 0.000 0.803 173 A CB 0.671 19.719 19.000 0.080 0.000 1.208 173 A HN 0.582 nan 8.150 nan 0.000 0.477 174 I N 3.644 124.219 120.570 0.008 0.000 2.439 174 I HA 0.275 4.445 4.170 0.001 0.000 0.283 174 I C -0.682 175.509 176.117 0.123 0.000 1.023 174 I CA -0.137 61.150 61.300 -0.023 0.000 1.100 174 I CB 1.626 39.491 38.000 -0.225 0.000 1.238 174 I HN 0.393 nan 8.210 nan 0.000 0.445 175 I N 5.475 126.077 120.570 0.053 0.000 2.301 175 I HA 0.391 4.562 4.170 0.001 0.000 0.292 175 I C 0.985 177.138 176.117 0.061 0.000 1.046 175 I CA -0.081 61.239 61.300 0.033 0.000 1.282 175 I CB 0.775 38.713 38.000 -0.104 0.000 1.409 175 I HN 0.716 nan 8.210 nan 0.000 0.484 176 A N 4.592 127.477 122.820 0.108 0.000 2.606 176 A HA 0.739 5.059 4.320 0.001 0.000 0.290 176 A C 0.724 178.317 177.584 0.015 0.000 1.174 176 A CA 0.235 52.321 52.037 0.082 0.000 0.958 176 A CB 0.174 19.265 19.000 0.152 0.000 1.194 176 A HN 0.862 nan 8.150 nan 0.000 0.526 177 G N -0.684 108.109 108.800 -0.011 0.000 2.450 177 G HA2 0.481 4.442 3.960 0.001 0.000 0.273 177 G HA3 0.481 4.442 3.960 0.001 0.000 0.273 177 G C -3.546 171.320 174.900 -0.058 0.000 1.221 177 G CA -0.588 44.463 45.100 -0.082 0.000 0.900 177 G HN -0.041 nan 8.290 nan 0.000 0.483 178 P HA 0.446 nan 4.420 nan 0.000 0.272 178 P C -0.460 176.805 177.300 -0.058 0.000 1.240 178 P CA -0.151 62.913 63.100 -0.060 0.000 0.791 178 P CB 1.333 33.020 31.700 -0.020 0.000 0.978 179 C N 2.115 121.309 119.300 -0.178 0.000 3.319 179 C HA 0.632 5.092 4.460 0.001 0.000 0.258 179 C C -0.377 174.412 174.990 -0.335 0.000 1.068 179 C CA -0.222 58.687 59.018 -0.182 0.000 1.193 179 C CB -1.429 26.163 27.740 -0.248 0.000 1.770 179 C HN 0.630 nan 8.230 nan 0.000 0.604 180 A N 3.054 125.754 122.820 -0.200 0.000 2.302 180 A HA 0.786 5.106 4.320 0.001 0.000 0.295 180 A C 0.939 178.553 177.584 0.049 0.000 1.235 180 A CA 1.097 53.039 52.037 -0.160 0.000 0.876 180 A CB -0.188 18.871 19.000 0.099 0.000 1.133 180 A HN 2.511 nan 8.150 nan 0.000 0.533 181 G N 1.869 110.715 108.800 0.075 0.000 2.548 181 G HA2 0.178 4.138 3.960 0.001 0.000 0.208 181 G HA3 0.178 4.138 3.960 0.001 0.000 0.208 181 G C 0.991 175.890 174.900 -0.001 0.000 1.308 181 G CA 0.034 45.204 45.100 0.117 0.000 0.924 181 G HN 1.692 nan 8.290 nan 0.000 0.540 182 G N 0.197 109.060 108.800 0.105 0.000 2.527 182 G HA2 0.267 4.228 3.960 0.001 0.000 0.219 182 G HA3 0.267 4.228 3.960 0.001 0.000 0.219 182 G C 1.985 176.940 174.900 0.092 0.000 1.117 182 G CA 2.543 47.708 45.100 0.110 0.000 0.759 182 G HN 1.994 nan 8.290 nan 0.000 0.556 183 A N 0.733 123.585 122.820 0.054 0.000 2.076 183 A HA 0.007 4.327 4.320 0.001 0.000 0.220 183 A C 2.610 180.075 177.584 -0.199 0.000 1.160 183 A CA 1.974 53.904 52.037 -0.177 0.000 0.653 183 A CB -0.422 18.600 19.000 0.036 0.000 0.801 183 A HN 0.298 nan 8.150 nan 0.000 0.455 184 S N -1.346 114.172 115.700 -0.304 0.000 2.442 184 S HA -0.149 4.321 4.470 0.001 0.000 0.236 184 S C 1.486 175.818 174.600 -0.446 0.000 1.007 184 S CA 1.154 59.090 58.200 -0.441 0.000 0.965 184 S CB -0.581 62.330 63.200 -0.482 0.000 0.773 184 S HN 0.772 nan 8.310 nan 0.000 0.504 185 Y N 0.924 121.034 120.300 -0.318 0.000 2.421 185 Y HA -0.075 4.476 4.550 0.001 0.000 0.292 185 Y C 2.838 178.491 175.900 -0.411 0.000 1.136 185 Y CA 0.671 58.474 58.100 -0.494 0.000 1.255 185 Y CB -0.186 37.726 38.460 -0.914 0.000 0.991 185 Y HN 0.281 nan 8.280 nan 0.000 0.552 186 S N 0.386 116.063 115.700 -0.038 0.000 2.345 186 S HA -0.087 4.383 4.470 0.001 0.000 0.220 186 S C -0.615 173.975 174.600 -0.016 0.000 1.031 186 S CA 1.178 59.472 58.200 0.158 0.000 0.996 186 S CB -1.045 62.375 63.200 0.367 0.000 0.882 186 S HN 0.163 nan 8.310 nan 0.000 0.445 187 P HA 0.007 nan 4.420 nan 0.000 0.216 187 P C 1.384 178.584 177.300 -0.167 0.000 1.150 187 P CA 1.538 64.425 63.100 -0.356 0.000 0.837 187 P CB -0.221 31.084 31.700 -0.659 0.000 0.786 188 A N -0.879 121.843 122.820 -0.164 0.000 1.972 188 A HA -0.130 4.190 4.320 0.001 0.000 0.219 188 A C 2.010 179.559 177.584 -0.058 0.000 1.169 188 A CA 1.334 53.312 52.037 -0.098 0.000 0.635 188 A CB -1.498 17.462 19.000 -0.066 0.000 0.810 188 A HN 0.168 nan 8.150 nan 0.000 0.446 189 L N 0.150 121.348 121.223 -0.041 0.000 2.558 189 L HA 0.043 4.383 4.340 0.001 0.000 0.225 189 L C 1.622 178.508 176.870 0.026 0.000 1.128 189 L CA 0.515 55.347 54.840 -0.015 0.000 0.868 189 L CB -0.486 41.576 42.059 0.006 0.000 1.006 189 L HN 0.534 nan 8.230 nan 0.000 0.454 190 T N -4.478 110.100 114.554 0.039 0.000 2.771 190 T HA 0.094 4.444 4.350 0.001 0.000 0.290 190 T C 0.770 175.439 174.700 -0.051 0.000 1.005 190 T CA -0.553 61.590 62.100 0.071 0.000 0.944 190 T CB 1.118 70.061 68.868 0.126 0.000 1.147 190 T HN -0.056 nan 8.240 nan 0.000 0.534 191 D N -0.531 119.805 120.400 -0.107 0.000 2.201 191 D HA 0.172 4.812 4.640 0.001 0.000 0.209 191 D C -0.114 175.522 176.300 -1.107 0.000 0.961 191 D CA 1.052 54.761 54.000 -0.485 0.000 0.861 191 D CB 0.076 40.655 40.800 -0.369 0.000 0.997 191 D HN 0.484 nan 8.370 nan 0.000 0.486 192 F N 0.140 119.886 119.950 -0.339 0.000 2.556 192 F HA 0.460 4.988 4.527 0.000 0.000 0.314 192 F C -0.152 175.594 175.800 -0.091 0.000 1.106 192 F CA -0.903 56.807 58.000 -0.483 0.000 0.911 192 F CB 2.144 41.019 39.000 -0.209 0.000 1.190 192 F HN -0.368 nan 8.300 nan 0.000 0.448 193 I N 4.391 125.160 120.570 0.333 0.000 2.378 193 I HA 0.438 4.608 4.170 0.001 0.000 0.291 193 I C -0.741 175.544 176.117 0.279 0.000 0.992 193 I CA -0.533 60.896 61.300 0.216 0.000 1.154 193 I CB 1.669 39.720 38.000 0.084 0.000 1.315 193 I HN 0.450 nan 8.210 nan 0.000 0.448 194 I N 6.689 127.364 120.570 0.174 0.000 2.354 194 I HA 0.423 4.593 4.170 0.001 0.000 0.292 194 I C -0.330 175.833 176.117 0.076 0.000 0.989 194 I CA -0.307 61.099 61.300 0.176 0.000 1.188 194 I CB 1.607 39.650 38.000 0.073 0.000 1.342 194 I HN 0.484 nan 8.210 nan 0.000 0.457 195 M N 5.642 125.282 119.600 0.067 0.000 2.311 195 M HA 0.345 4.825 4.480 0.001 0.000 0.325 195 M C 0.005 176.315 176.300 0.017 0.000 1.061 195 M CA -0.577 54.729 55.300 0.011 0.000 0.957 195 M CB 2.196 34.780 32.600 -0.027 0.000 1.646 195 M HN 0.697 nan 8.290 nan 0.000 0.434 196 T N 0.072 114.629 114.554 0.005 0.000 2.874 196 T HA 0.350 4.700 4.350 0.001 0.000 0.281 196 T C 0.703 175.382 174.700 -0.035 0.000 0.994 196 T CA -0.648 61.454 62.100 0.003 0.000 1.015 196 T CB 1.059 69.935 68.868 0.014 0.000 1.028 196 T HN 0.728 nan 8.240 nan 0.000 0.523 197 K N 0.030 120.413 120.400 -0.028 0.000 2.504 197 K HA 0.046 4.366 4.320 0.001 0.000 0.195 197 K C 1.579 178.138 176.600 -0.068 0.000 1.036 197 K CA 0.356 56.613 56.287 -0.050 0.000 0.984 197 K CB 0.101 32.589 32.500 -0.021 0.000 0.788 197 K HN 0.351 nan 8.250 nan 0.000 0.488 198 K N 0.014 120.385 120.400 -0.048 0.000 2.367 198 K HA 0.162 4.482 4.320 0.001 0.000 0.194 198 K C 0.469 177.049 176.600 -0.033 0.000 1.027 198 K CA 0.050 56.327 56.287 -0.018 0.000 1.075 198 K CB 0.726 33.224 32.500 -0.003 0.000 0.845 198 K HN 0.044 nan 8.250 nan 0.000 0.529 199 A N 0.775 123.521 122.820 -0.123 0.000 2.264 199 A HA 0.560 4.880 4.320 0.001 0.000 0.304 199 A C -0.956 176.404 177.584 -0.374 0.000 1.100 199 A CA -0.232 51.730 52.037 -0.125 0.000 0.839 199 A CB 0.313 19.262 19.000 -0.085 0.000 1.121 199 A HN 0.316 nan 8.150 nan 0.000 0.496 200 H N -0.912 118.116 119.070 -0.071 0.000 2.996 200 H HA 0.670 5.226 4.556 0.001 0.000 0.368 200 H C -0.733 174.447 175.328 -0.248 0.000 1.185 200 H CA -0.339 55.669 56.048 -0.067 0.000 1.160 200 H CB 1.828 31.584 29.762 -0.010 0.000 1.820 200 H HN 0.760 nan 8.280 nan 0.000 0.547 201 M N 3.721 123.253 119.600 -0.114 0.000 2.365 201 M HA 0.555 5.036 4.480 0.001 0.000 0.287 201 M C -2.070 174.163 176.300 -0.112 0.000 1.154 201 M CA -0.682 54.417 55.300 -0.334 0.000 0.941 201 M CB 1.709 34.105 32.600 -0.341 0.000 1.704 201 M HN 0.608 nan 8.290 nan 0.000 0.479 202 F N 2.743 122.720 119.950 0.044 0.000 2.769 202 F HA 0.441 4.968 4.527 0.001 0.000 0.313 202 F C -0.915 174.853 175.800 -0.053 0.000 1.146 202 F CA -1.156 56.864 58.000 0.033 0.000 0.934 202 F CB -0.001 39.031 39.000 0.053 0.000 1.283 202 F HN 0.368 nan 8.300 nan 0.000 0.443 203 I N 0.448 121.147 120.570 0.214 0.000 2.400 203 I HA 0.044 4.214 4.170 0.001 0.000 0.248 203 I C 0.600 176.830 176.117 0.188 0.000 1.109 203 I CA 1.225 62.575 61.300 0.083 0.000 1.425 203 I CB -0.694 37.306 38.000 0.001 0.000 1.094 203 I HN 0.674 nan 8.210 nan 0.000 0.425 204 T N 1.116 115.770 114.554 0.167 0.000 2.841 204 T HA 0.560 4.910 4.350 0.001 0.000 0.285 204 T C 0.319 174.892 174.700 -0.212 0.000 0.991 204 T CA -0.574 61.553 62.100 0.044 0.000 0.966 204 T CB 1.970 70.840 68.868 0.003 0.000 0.962 204 T HN 0.287 nan 8.240 nan 0.000 0.438 205 G N 3.021 111.639 108.800 -0.303 0.000 2.636 205 G HA2 0.316 4.277 3.960 0.001 0.000 0.246 205 G HA3 0.316 4.277 3.960 0.001 0.000 0.246 205 G C -1.581 173.016 174.900 -0.505 0.000 1.216 205 G CA -1.220 43.422 45.100 -0.763 0.000 0.854 205 G HN 0.397 nan 8.290 nan 0.000 0.572 206 P HA -0.142 nan 4.420 nan 0.000 0.216 206 P C 1.642 178.841 177.300 -0.169 0.000 1.150 206 P CA 1.233 64.164 63.100 -0.280 0.000 0.837 206 P CB 0.214 31.774 31.700 -0.233 0.000 0.786 207 Q N -0.517 119.195 119.800 -0.146 0.000 2.002 207 Q HA -0.120 4.221 4.340 0.001 0.000 0.204 207 Q C 2.193 178.150 176.000 -0.073 0.000 0.988 207 Q CA 1.448 57.200 55.803 -0.086 0.000 0.843 207 Q CB -1.913 26.789 28.738 -0.060 0.000 0.908 207 Q HN 0.073 nan 8.270 nan 0.000 0.420 208 V N 0.868 120.736 119.914 -0.076 0.000 2.332 208 V HA -0.265 3.855 4.120 0.001 0.000 0.248 208 V C 2.170 178.232 176.094 -0.054 0.000 1.055 208 V CA 1.730 63.999 62.300 -0.051 0.000 1.038 208 V CB -0.649 31.150 31.823 -0.039 0.000 0.651 208 V HN 0.345 nan 8.190 nan 0.000 0.450 209 I N -0.042 120.480 120.570 -0.080 0.000 2.163 209 I HA -0.295 3.875 4.170 0.001 0.000 0.243 209 I C 2.625 178.710 176.117 -0.053 0.000 1.085 209 I CA 1.958 63.217 61.300 -0.068 0.000 1.347 209 I CB -0.416 37.527 38.000 -0.095 0.000 1.044 209 I HN 0.291 nan 8.210 nan 0.000 0.408 210 K N 1.119 121.484 120.400 -0.059 0.000 2.026 210 K HA -0.197 4.124 4.320 0.001 0.000 0.208 210 K C 2.239 178.819 176.600 -0.033 0.000 1.048 210 K CA 2.101 58.361 56.287 -0.044 0.000 0.929 210 K CB -0.618 31.854 32.500 -0.046 0.000 0.713 210 K HN 0.140 nan 8.250 nan 0.000 0.439 211 S N -0.902 114.778 115.700 -0.033 0.000 2.440 211 S HA -0.065 4.405 4.470 0.001 0.000 0.238 211 S C 1.561 176.150 174.600 -0.018 0.000 1.010 211 S CA 1.337 59.523 58.200 -0.023 0.000 0.972 211 S CB -0.119 63.067 63.200 -0.022 0.000 0.774 211 S HN 0.163 nan 8.310 nan 0.000 0.501 212 V N 0.627 120.529 119.914 -0.020 0.000 2.806 212 V HA 0.101 4.221 4.120 0.001 0.000 0.239 212 V C 2.536 178.622 176.094 -0.013 0.000 1.113 212 V CA 1.457 63.749 62.300 -0.014 0.000 1.137 212 V CB -0.099 31.717 31.823 -0.012 0.000 0.865 212 V HN 0.752 nan 8.190 nan 0.000 0.482 213 T N -3.098 111.445 114.554 -0.018 0.000 3.023 213 T HA 0.343 4.693 4.350 0.001 0.000 0.253 213 T C 1.575 176.265 174.700 -0.017 0.000 1.038 213 T CA 1.076 63.166 62.100 -0.016 0.000 0.962 213 T CB 0.904 69.762 68.868 -0.017 0.000 1.018 213 T HN 0.951 nan 8.240 nan 0.000 0.521 214 G N 1.382 110.170 108.800 -0.020 0.000 2.179 214 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 214 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 214 G C -0.166 174.720 174.900 -0.023 0.000 0.977 214 G CA 0.175 45.263 45.100 -0.020 0.000 0.641 214 G HN 0.672 nan 8.290 nan 0.000 0.533 215 E N 1.357 121.541 120.200 -0.027 0.000 2.414 215 E HA 0.317 4.667 4.350 0.001 0.000 0.263 215 E C -0.524 176.054 176.600 -0.037 0.000 1.000 215 E CA 0.090 56.472 56.400 -0.030 0.000 0.914 215 E CB 0.525 30.206 29.700 -0.032 0.000 0.948 215 E HN 0.275 nan 8.360 nan 0.000 0.444 216 D N 2.240 122.620 120.400 -0.033 0.000 2.233 216 D HA 0.361 5.002 4.640 0.001 0.000 0.240 216 D C -1.046 175.230 176.300 -0.040 0.000 1.074 216 D CA -0.176 53.802 54.000 -0.036 0.000 0.838 216 D CB 1.902 42.685 40.800 -0.027 0.000 1.124 216 D HN 0.075 nan 8.370 nan 0.000 0.475 217 V N 1.697 121.581 119.914 -0.050 0.000 3.077 217 V HA 0.414 4.534 4.120 0.001 0.000 0.299 217 V C -0.506 175.553 176.094 -0.058 0.000 1.276 217 V CA -0.544 61.725 62.300 -0.052 0.000 0.993 217 V CB 2.282 34.068 31.823 -0.063 0.000 1.076 217 V HN 0.697 nan 8.190 nan 0.000 0.434 218 T N 3.023 117.553 114.554 -0.039 0.000 2.902 218 T HA 0.705 5.055 4.350 0.001 0.000 0.280 218 T C 1.316 176.003 174.700 -0.022 0.000 0.992 218 T CA 0.230 62.310 62.100 -0.033 0.000 1.015 218 T CB 1.697 70.559 68.868 -0.010 0.000 1.044 218 T HN 1.555 nan 8.240 nan 0.000 0.520 219 A N 0.800 123.607 122.820 -0.021 0.000 1.883 219 A HA -0.115 4.205 4.320 0.001 0.000 0.217 219 A C 2.119 179.852 177.584 0.248 0.000 1.186 219 A CA 1.827 53.901 52.037 0.061 0.000 0.624 219 A CB -1.147 17.809 19.000 -0.074 0.000 0.822 219 A HN 0.967 nan 8.150 nan 0.000 0.444 220 D N -0.559 119.973 120.400 0.220 0.000 2.117 220 D HA -0.135 4.505 4.640 0.001 0.000 0.197 220 D C 1.964 178.330 176.300 0.109 0.000 0.987 220 D CA 1.515 55.679 54.000 0.273 0.000 0.829 220 D CB -0.180 40.744 40.800 0.207 0.000 0.961 220 D HN 0.668 nan 8.370 nan 0.000 0.460 221 E N 0.034 120.266 120.200 0.055 0.000 2.106 221 E HA -0.142 4.208 4.350 0.001 0.000 0.192 221 E C 2.083 178.669 176.600 -0.023 0.000 0.984 221 E CA 0.274 56.676 56.400 0.004 0.000 0.806 221 E CB 0.071 29.766 29.700 -0.008 0.000 0.750 221 E HN 0.135 nan 8.360 nan 0.000 0.458 222 L N -0.447 120.773 121.223 -0.005 0.000 2.068 222 L HA 0.074 4.414 4.340 0.001 0.000 0.204 222 L C 1.539 178.370 176.870 -0.065 0.000 1.076 222 L CA 1.913 56.734 54.840 -0.032 0.000 0.753 222 L CB 0.138 42.167 42.059 -0.051 0.000 0.910 222 L HN 0.086 nan 8.230 nan 0.000 0.439 223 G N -1.063 107.771 108.800 0.057 0.000 4.773 223 G HA2 0.409 4.369 3.960 0.001 0.000 0.269 223 G HA3 0.409 4.369 3.960 0.001 0.000 0.269 223 G C 0.329 175.245 174.900 0.028 0.000 0.992 223 G CA 0.124 45.180 45.100 -0.074 0.000 0.775 223 G HN 0.564 nan 8.290 nan 0.000 0.471 224 G N -0.582 108.203 108.800 -0.025 0.000 2.616 224 G HA2 0.488 4.448 3.960 0.001 0.000 0.268 224 G HA3 0.488 4.448 3.960 0.001 0.000 0.268 224 G C 1.345 176.197 174.900 -0.080 0.000 1.213 224 G CA 0.353 45.362 45.100 -0.152 0.000 0.926 224 G HN 0.540 nan 8.290 nan 0.000 0.523 225 A N -0.355 122.410 122.820 -0.092 0.000 1.917 225 A HA -0.090 4.231 4.320 0.001 0.000 0.219 225 A C 2.184 179.764 177.584 -0.006 0.000 1.182 225 A CA 2.050 54.078 52.037 -0.016 0.000 0.633 225 A CB -0.381 18.597 19.000 -0.035 0.000 0.819 225 A HN 0.562 nan 8.150 nan 0.000 0.448 226 E N -0.258 119.925 120.200 -0.030 0.000 2.106 226 E HA -0.094 4.257 4.350 0.001 0.000 0.192 226 E C 2.334 178.912 176.600 -0.036 0.000 0.984 226 E CA 1.205 57.592 56.400 -0.022 0.000 0.806 226 E CB -0.588 29.101 29.700 -0.019 0.000 0.750 226 E HN 0.589 nan 8.360 nan 0.000 0.458 227 A N 1.128 123.900 122.820 -0.081 0.000 1.898 227 A HA -0.176 4.144 4.320 0.001 0.000 0.216 227 A C 1.968 179.463 177.584 -0.149 0.000 1.181 227 A CA 1.261 53.221 52.037 -0.128 0.000 0.620 227 A CB -0.648 18.235 19.000 -0.195 0.000 0.819 227 A HN 0.233 nan 8.150 nan 0.000 0.442 228 H N -1.553 117.476 119.070 -0.068 0.000 2.389 228 H HA -0.093 4.463 4.556 0.001 0.000 0.299 228 H C 2.050 177.275 175.328 -0.171 0.000 1.081 228 H CA 2.054 58.031 56.048 -0.118 0.000 1.345 228 H CB -0.278 29.408 29.762 -0.127 0.000 1.393 228 H HN 0.559 nan 8.280 nan 0.000 0.520 229 M N 0.620 120.215 119.600 -0.008 0.000 2.081 229 M HA 0.022 4.502 4.480 0.001 0.000 0.261 229 M C 2.357 178.658 176.300 0.001 0.000 1.075 229 M CA 1.991 57.255 55.300 -0.061 0.000 1.133 229 M CB -0.430 32.156 32.600 -0.023 0.000 1.330 229 M HN 0.109 nan 8.290 nan 0.000 0.414 230 A N -0.628 122.220 122.820 0.047 0.000 1.975 230 A HA 0.135 4.456 4.320 0.001 0.000 0.215 230 A C 2.019 179.709 177.584 0.177 0.000 1.170 230 A CA 1.468 53.578 52.037 0.122 0.000 0.656 230 A CB -0.655 18.375 19.000 0.049 0.000 0.821 230 A HN 0.614 nan 8.150 nan 0.000 0.449 231 I N -0.825 119.794 120.570 0.082 0.000 2.899 231 I HA -0.055 4.116 4.170 0.001 0.000 0.257 231 I C 2.592 178.754 176.117 0.076 0.000 1.115 231 I CA 1.124 62.474 61.300 0.083 0.000 1.451 231 I CB -0.250 37.755 38.000 0.008 0.000 1.251 231 I HN 0.346 nan 8.210 nan 0.000 0.456 232 S N 0.892 116.574 115.700 -0.029 0.000 2.436 232 S HA 0.088 4.558 4.470 0.001 0.000 0.228 232 S C 1.837 176.289 174.600 -0.248 0.000 1.014 232 S CA 0.647 58.812 58.200 -0.058 0.000 0.950 232 S CB -0.118 63.099 63.200 0.028 0.000 0.784 232 S HN 0.631 nan 8.310 nan 0.000 0.504 233 G N 1.591 110.012 108.800 -0.631 0.000 2.153 233 G HA2 -0.328 3.632 3.960 0.001 0.000 0.252 233 G HA3 -0.328 3.632 3.960 0.001 0.000 0.252 233 G C 0.448 174.958 174.900 -0.649 0.000 0.994 233 G CA 0.520 44.846 45.100 -1.289 0.000 0.698 233 G HN 0.638 nan 8.290 nan 0.000 0.521 234 N N -0.414 118.053 118.700 -0.389 0.000 2.376 234 N HA 0.232 4.973 4.740 0.001 0.000 0.177 234 N C 1.341 176.630 175.510 -0.369 0.000 1.024 234 N CA 0.933 53.801 53.050 -0.304 0.000 0.893 234 N CB 0.179 38.521 38.487 -0.242 0.000 0.980 234 N HN 0.836 nan 8.380 nan 0.000 0.439 235 I N -2.902 117.433 120.570 -0.392 0.000 3.023 235 I HA 0.371 4.541 4.170 0.001 0.000 0.312 235 I C -0.031 175.765 176.117 -0.535 0.000 1.056 235 I CA -0.727 60.371 61.300 -0.337 0.000 1.033 235 I CB 1.561 39.473 38.000 -0.147 0.000 1.233 235 I HN -0.140 nan 8.210 nan 0.000 0.462 236 H N 1.446 120.452 119.070 -0.107 0.000 2.729 236 H HA 0.468 5.025 4.556 0.001 0.000 0.263 236 H C -1.020 173.895 175.328 -0.688 0.000 0.961 236 H CA 0.372 56.235 56.048 -0.308 0.000 1.217 236 H CB 0.459 30.167 29.762 -0.090 0.000 1.447 236 H HN 0.435 nan 8.280 nan 0.000 0.496 237 F N -0.260 119.759 119.950 0.116 0.000 2.608 237 F HA 0.459 4.986 4.527 0.000 0.000 0.309 237 F C -0.940 174.874 175.800 0.024 0.000 1.103 237 F CA -1.276 56.759 58.000 0.059 0.000 0.954 237 F CB 1.908 40.940 39.000 0.053 0.000 1.267 237 F HN -0.349 nan 8.300 nan 0.000 0.444 238 V N 2.500 122.528 119.914 0.191 0.000 2.398 238 V HA 0.813 4.933 4.120 0.001 0.000 0.286 238 V C -0.258 175.894 176.094 0.097 0.000 1.026 238 V CA -0.675 61.686 62.300 0.102 0.000 0.868 238 V CB 1.337 33.192 31.823 0.054 0.000 0.982 238 V HN 0.880 nan 8.190 nan 0.000 0.443 239 A N 3.260 126.120 122.820 0.066 0.000 2.330 239 A HA 0.650 4.970 4.320 0.001 0.000 0.327 239 A C 0.883 178.481 177.584 0.024 0.000 1.155 239 A CA -0.451 51.612 52.037 0.044 0.000 0.803 239 A CB 1.033 20.056 19.000 0.038 0.000 1.208 239 A HN 0.758 nan 8.150 nan 0.000 0.477 240 E N 0.944 121.154 120.200 0.017 0.000 2.049 240 E HA -0.162 4.188 4.350 0.001 0.000 0.198 240 E C 0.122 176.725 176.600 0.006 0.000 1.007 240 E CA 2.196 58.601 56.400 0.008 0.000 0.809 240 E CB -0.007 29.696 29.700 0.004 0.000 0.749 240 E HN 0.926 nan 8.360 nan 0.000 0.450 241 D N -2.615 117.790 120.400 0.007 0.000 2.825 241 D HA 0.090 4.731 4.640 0.001 0.000 0.327 241 D C 0.302 176.613 176.300 0.017 0.000 1.277 241 D CA -0.537 53.468 54.000 0.008 0.000 0.950 241 D CB -0.172 40.627 40.800 -0.001 0.000 1.438 241 D HN -0.381 nan 8.370 nan 0.000 0.526 242 D N -0.442 119.968 120.400 0.016 0.000 2.149 242 D HA -0.112 4.528 4.640 0.001 0.000 0.198 242 D C 1.036 177.349 176.300 0.022 0.000 0.990 242 D CA 1.177 55.195 54.000 0.029 0.000 0.839 242 D CB -0.133 40.661 40.800 -0.009 0.000 0.948 242 D HN 0.353 nan 8.370 nan 0.000 0.460 243 D N 0.181 120.579 120.400 -0.004 0.000 2.097 243 D HA -0.090 4.550 4.640 0.001 0.000 0.195 243 D C 2.037 178.333 176.300 -0.007 0.000 0.989 243 D CA 1.500 55.492 54.000 -0.014 0.000 0.827 243 D CB -0.333 40.452 40.800 -0.025 0.000 0.966 243 D HN 0.145 nan 8.370 nan 0.000 0.456 244 A N 0.796 123.613 122.820 -0.004 0.000 1.902 244 A HA -0.056 4.264 4.320 0.001 0.000 0.217 244 A C 2.300 179.878 177.584 -0.010 0.000 1.181 244 A CA 2.348 54.380 52.037 -0.009 0.000 0.623 244 A CB -0.819 18.179 19.000 -0.002 0.000 0.818 244 A HN 0.239 nan 8.150 nan 0.000 0.443 245 A N -0.158 122.673 122.820 0.017 0.000 1.908 245 A HA -0.194 4.127 4.320 0.001 0.000 0.218 245 A C 1.895 179.487 177.584 0.015 0.000 1.181 245 A CA 1.825 53.877 52.037 0.024 0.000 0.627 245 A CB -0.549 18.504 19.000 0.088 0.000 0.818 245 A HN 0.634 nan 8.150 nan 0.000 0.445 246 E N -0.151 120.085 120.200 0.059 0.000 2.077 246 E HA -0.112 4.239 4.350 0.001 0.000 0.193 246 E C 1.946 178.532 176.600 -0.023 0.000 0.989 246 E CA 1.069 57.504 56.400 0.060 0.000 0.800 246 E CB -0.242 29.502 29.700 0.073 0.000 0.746 246 E HN 0.602 nan 8.360 nan 0.000 0.452 247 L N 0.504 121.703 121.223 -0.041 0.000 2.056 247 L HA -0.159 4.181 4.340 0.001 0.000 0.207 247 L C 2.409 179.212 176.870 -0.111 0.000 1.078 247 L CA 0.977 55.776 54.840 -0.069 0.000 0.749 247 L CB -0.348 41.676 42.059 -0.058 0.000 0.901 247 L HN 0.205 nan 8.230 nan 0.000 0.433 248 I N -0.099 120.388 120.570 -0.138 0.000 2.286 248 I HA -0.258 3.913 4.170 0.001 0.000 0.248 248 I C 2.787 178.718 176.117 -0.309 0.000 1.115 248 I CA 1.050 62.198 61.300 -0.253 0.000 1.392 248 I CB -0.368 37.445 38.000 -0.311 0.000 1.065 248 I HN 0.186 nan 8.210 nan 0.000 0.418 249 A N 0.975 123.659 122.820 -0.227 0.000 1.902 249 A HA -0.218 4.102 4.320 0.001 0.000 0.217 249 A C 2.307 179.777 177.584 -0.189 0.000 1.181 249 A CA 1.623 53.526 52.037 -0.223 0.000 0.623 249 A CB -0.389 18.502 19.000 -0.181 0.000 0.818 249 A HN 0.334 nan 8.150 nan 0.000 0.443 250 K N -0.560 119.752 120.400 -0.146 0.000 2.103 250 K HA -0.126 4.194 4.320 0.001 0.000 0.204 250 K C 2.150 178.656 176.600 -0.156 0.000 1.052 250 K CA 1.428 57.637 56.287 -0.130 0.000 0.945 250 K CB -0.104 32.336 32.500 -0.100 0.000 0.722 250 K HN 0.312 nan 8.250 nan 0.000 0.443 251 K N 1.734 122.038 120.400 -0.159 0.000 2.026 251 K HA -0.148 4.172 4.320 0.001 0.000 0.208 251 K C 1.956 178.492 176.600 -0.107 0.000 1.048 251 K CA 1.014 57.216 56.287 -0.142 0.000 0.929 251 K CB -0.486 31.957 32.500 -0.094 0.000 0.713 251 K HN 0.025 nan 8.250 nan 0.000 0.439 252 L N 0.527 121.649 121.223 -0.167 0.000 1.989 252 L HA -0.072 4.268 4.340 0.001 0.000 0.211 252 L C 2.083 178.850 176.870 -0.172 0.000 1.071 252 L CA 1.696 56.424 54.840 -0.187 0.000 0.749 252 L CB -1.050 40.746 42.059 -0.437 0.000 0.890 252 L HN 0.344 nan 8.230 nan 0.000 0.431 253 L N -0.145 120.966 121.223 -0.187 0.000 2.127 253 L HA -0.191 4.149 4.340 0.001 0.000 0.211 253 L C 2.732 179.512 176.870 -0.151 0.000 1.089 253 L CA 2.060 56.809 54.840 -0.152 0.000 0.757 253 L CB -0.949 41.036 42.059 -0.123 0.000 0.899 253 L HN 0.658 nan 8.230 nan 0.000 0.434 254 S N -1.686 113.885 115.700 -0.215 0.000 2.469 254 S HA -0.175 4.296 4.470 0.001 0.000 0.238 254 S C 1.714 176.101 174.600 -0.356 0.000 0.998 254 S CA 1.152 59.175 58.200 -0.296 0.000 0.957 254 S CB -1.023 61.935 63.200 -0.403 0.000 0.764 254 S HN 0.475 nan 8.310 nan 0.000 0.514 255 F N 1.337 121.172 119.950 -0.192 0.000 2.776 255 F HA 0.462 4.989 4.527 0.000 0.000 0.300 255 F C 0.714 176.400 175.800 -0.190 0.000 1.116 255 F CA -0.311 57.562 58.000 -0.213 0.000 1.375 255 F CB 0.082 38.815 39.000 -0.445 0.000 1.109 255 F HN 0.095 nan 8.300 nan 0.000 0.585 256 L N 1.273 122.481 121.223 -0.025 0.000 2.334 256 L HA 0.469 4.809 4.340 0.001 0.000 0.272 256 L C -2.276 174.599 176.870 0.008 0.000 1.020 256 L CA -2.250 52.582 54.840 -0.012 0.000 0.812 256 L CB 1.101 43.120 42.059 -0.066 0.000 1.264 256 L HN -0.307 nan 8.230 nan 0.000 0.439 257 P HA 0.153 nan 4.420 nan 0.000 0.278 257 P C -0.468 176.860 177.300 0.047 0.000 1.266 257 P CA -0.511 62.635 63.100 0.077 0.000 0.807 257 P CB 1.114 32.901 31.700 0.145 0.000 1.094 258 Q N 0.324 120.166 119.800 0.070 0.000 2.167 258 Q HA -0.063 4.277 4.340 0.001 0.000 0.202 258 Q C 0.567 176.635 176.000 0.113 0.000 0.970 258 Q CA 1.668 57.514 55.803 0.072 0.000 0.855 258 Q CB -0.312 28.471 28.738 0.076 0.000 0.911 258 Q HN 0.696 nan 8.270 nan 0.000 0.438 259 N N -1.664 117.141 118.700 0.175 0.000 3.106 259 N HA -0.009 4.731 4.740 0.001 0.000 0.253 259 N C -0.217 175.484 175.510 0.317 0.000 1.506 259 N CA -0.388 52.825 53.050 0.272 0.000 0.876 259 N CB -0.296 38.291 38.487 0.167 0.000 1.452 259 N HN -0.220 nan 8.380 nan 0.000 0.542 260 N N -1.756 117.073 118.700 0.214 0.000 2.609 260 N HA -0.103 4.637 4.740 0.001 0.000 0.190 260 N C 0.530 176.037 175.510 -0.004 0.000 1.157 260 N CA 1.303 54.340 53.050 -0.021 0.000 0.918 260 N CB -0.719 37.607 38.487 -0.268 0.000 0.978 260 N HN 0.776 nan 8.380 nan 0.000 0.448 261 T N -4.406 110.176 114.554 0.046 0.000 3.086 261 T HA 0.233 4.583 4.350 0.001 0.000 0.250 261 T C 0.142 174.872 174.700 0.049 0.000 1.074 261 T CA -0.256 61.862 62.100 0.031 0.000 0.988 261 T CB 0.156 69.042 68.868 0.031 0.000 0.988 261 T HN 0.176 nan 8.240 nan 0.000 0.530 262 E N 0.493 120.741 120.200 0.079 0.000 2.336 262 E HA 0.534 4.885 4.350 0.001 0.000 0.267 262 E C -1.068 175.599 176.600 0.111 0.000 0.906 262 E CA -0.861 55.591 56.400 0.086 0.000 0.781 262 E CB 2.170 31.922 29.700 0.086 0.000 1.261 262 E HN 0.332 nan 8.360 nan 0.000 0.436 263 E N 0.670 120.937 120.200 0.112 0.000 2.214 263 E HA 0.537 4.887 4.350 0.001 0.000 0.274 263 E C -1.027 175.670 176.600 0.161 0.000 0.977 263 E CA -0.795 55.693 56.400 0.147 0.000 0.827 263 E CB 1.250 31.046 29.700 0.161 0.000 1.130 263 E HN 0.574 nan 8.360 nan 0.000 0.394 264 A N 2.521 125.451 122.820 0.183 0.000 2.531 264 A HA 0.127 4.448 4.320 0.001 0.000 0.236 264 A C 0.032 177.754 177.584 0.230 0.000 1.062 264 A CA 0.007 52.147 52.037 0.171 0.000 0.760 264 A CB 0.258 19.352 19.000 0.157 0.000 0.995 264 A HN 0.595 nan 8.150 nan 0.000 0.501 265 S N 1.235 117.035 115.700 0.168 0.000 2.562 265 S HA 0.370 4.841 4.470 0.001 0.000 0.281 265 S C -0.053 174.744 174.600 0.330 0.000 1.333 265 S CA -0.172 58.141 58.200 0.189 0.000 1.052 265 S CB -0.053 63.202 63.200 0.092 0.000 0.884 265 S HN 0.386 nan 8.310 nan 0.000 0.506 266 F N 1.804 121.780 119.950 0.043 0.000 2.506 266 F HA 0.304 4.831 4.527 0.001 0.000 0.351 266 F C 0.505 176.326 175.800 0.035 0.000 1.136 266 F CA -0.928 57.106 58.000 0.055 0.000 1.298 266 F CB 0.161 39.200 39.000 0.065 0.000 1.145 266 F HN 0.118 nan 8.300 nan 0.000 0.593 267 V N 2.811 122.829 119.914 0.174 0.000 2.638 267 V HA 0.260 4.380 4.120 0.001 0.000 0.306 267 V C 0.153 176.323 176.094 0.126 0.000 1.052 267 V CA -1.670 60.684 62.300 0.089 0.000 0.885 267 V CB 1.591 33.395 31.823 -0.032 0.000 0.999 267 V HN 0.837 nan 8.190 nan 0.000 0.424 268 N N 3.289 122.063 118.700 0.124 0.000 2.691 268 N HA -0.136 4.604 4.740 0.001 0.000 0.277 268 N C -2.416 173.328 175.510 0.391 0.000 1.029 268 N CA -0.420 52.745 53.050 0.191 0.000 0.798 268 N CB 0.121 38.637 38.487 0.049 0.000 0.922 268 N HN 0.424 nan 8.380 nan 0.000 0.562 269 P HA 0.027 nan 4.420 nan 0.000 0.267 269 P C -0.663 176.760 177.300 0.206 0.000 1.205 269 P CA 0.084 63.323 63.100 0.232 0.000 0.765 269 P CB 0.575 32.401 31.700 0.210 0.000 0.828 270 N N 2.994 121.679 118.700 -0.025 0.000 2.446 270 N HA 0.142 4.882 4.740 0.001 0.000 0.265 270 N C -0.096 175.307 175.510 -0.178 0.000 0.975 270 N CA -0.231 52.630 53.050 -0.315 0.000 0.928 270 N CB 0.157 38.035 38.487 -1.016 0.000 1.160 270 N HN 0.240 nan 8.380 nan 0.000 0.495 271 N N 1.495 120.141 118.700 -0.090 0.000 2.336 271 N HA 0.021 4.761 4.740 0.001 0.000 0.189 271 N C -0.909 174.565 175.510 -0.061 0.000 1.113 271 N CA -0.282 52.742 53.050 -0.044 0.000 0.858 271 N CB 0.415 38.908 38.487 0.009 0.000 0.970 271 N HN 0.513 nan 8.380 nan 0.000 0.471 272 D N 0.606 120.942 120.400 -0.108 0.000 2.389 272 D HA 0.028 4.669 4.640 0.001 0.000 0.247 272 D C 0.886 177.138 176.300 -0.080 0.000 1.128 272 D CA 0.184 54.130 54.000 -0.089 0.000 0.884 272 D CB 1.587 42.319 40.800 -0.114 0.000 1.194 272 D HN -0.021 nan 8.370 nan 0.000 0.441 273 V N -1.209 118.673 119.914 -0.054 0.000 3.172 273 V HA 0.207 4.328 4.120 0.001 0.000 0.343 273 V C 0.284 176.353 176.094 -0.042 0.000 1.429 273 V CA -0.600 61.673 62.300 -0.045 0.000 1.149 273 V CB -0.126 31.678 31.823 -0.031 0.000 1.106 273 V HN 0.241 nan 8.190 nan 0.000 0.526 274 S N 3.219 118.893 115.700 -0.043 0.000 2.563 274 S HA 0.371 4.841 4.470 0.001 0.000 0.284 274 S C -1.924 172.650 174.600 -0.042 0.000 1.331 274 S CA 0.007 58.184 58.200 -0.038 0.000 1.047 274 S CB 0.231 63.410 63.200 -0.035 0.000 0.859 274 S HN 0.502 nan 8.310 nan 0.000 0.514 275 P HA 0.196 nan 4.420 nan 0.000 0.270 275 P C -0.438 176.833 177.300 -0.049 0.000 1.223 275 P CA -0.257 62.810 63.100 -0.054 0.000 0.785 275 P CB 0.363 32.026 31.700 -0.061 0.000 0.923 276 N N 0.378 119.045 118.700 -0.055 0.000 2.577 276 N HA 0.073 4.814 4.740 0.001 0.000 0.275 276 N C 0.649 176.121 175.510 -0.064 0.000 1.091 276 N CA -0.182 52.841 53.050 -0.044 0.000 0.843 276 N CB 0.601 39.074 38.487 -0.024 0.000 1.295 276 N HN 0.303 nan 8.380 nan 0.000 0.530 277 T N -0.078 114.438 114.554 -0.064 0.000 2.849 277 T HA -0.120 4.230 4.350 0.001 0.000 0.270 277 T C 1.119 175.775 174.700 -0.075 0.000 1.066 277 T CA 1.152 63.203 62.100 -0.082 0.000 1.130 277 T CB -0.109 68.720 68.868 -0.066 0.000 0.864 277 T HN 0.523 nan 8.240 nan 0.000 0.481 278 E N 0.989 121.163 120.200 -0.044 0.000 2.219 278 E HA -0.072 4.279 4.350 0.001 0.000 0.198 278 E C 1.945 178.530 176.600 -0.026 0.000 0.998 278 E CA 0.956 57.341 56.400 -0.025 0.000 0.818 278 E CB -0.474 29.225 29.700 -0.001 0.000 0.741 278 E HN 0.519 nan 8.360 nan 0.000 0.477 279 L N 0.326 121.523 121.223 -0.043 0.000 2.275 279 L HA -0.143 4.197 4.340 0.001 0.000 0.215 279 L C 2.230 179.018 176.870 -0.137 0.000 1.119 279 L CA 0.880 55.705 54.840 -0.025 0.000 0.790 279 L CB -0.110 41.928 42.059 -0.035 0.000 0.919 279 L HN 0.042 nan 8.230 nan 0.000 0.443 280 R N -0.450 119.931 120.500 -0.199 0.000 2.189 280 R HA -0.079 4.261 4.340 0.001 0.000 0.218 280 R C 1.000 177.235 176.300 -0.109 0.000 1.074 280 R CA 0.910 56.870 56.100 -0.233 0.000 0.991 280 R CB -0.087 30.094 30.300 -0.198 0.000 0.883 280 R HN 0.387 nan 8.270 nan 0.000 0.457 281 D N 0.076 120.438 120.400 -0.063 0.000 2.389 281 D HA 0.071 4.711 4.640 0.001 0.000 0.206 281 D C 1.734 178.013 176.300 -0.034 0.000 1.055 281 D CA 0.315 54.292 54.000 -0.038 0.000 0.856 281 D CB 0.342 41.125 40.800 -0.028 0.000 0.957 281 D HN 0.186 nan 8.370 nan 0.000 0.509 282 I N 0.802 121.357 120.570 -0.024 0.000 2.202 282 I HA -0.139 4.032 4.170 0.001 0.000 0.242 282 I C 0.775 176.734 176.117 -0.263 0.000 1.091 282 I CA 0.811 62.073 61.300 -0.063 0.000 1.368 282 I CB 0.128 38.127 38.000 -0.002 0.000 1.058 282 I HN -0.227 nan 8.210 nan 0.000 0.410 283 V N 3.197 122.931 119.914 -0.300 0.000 2.353 283 V HA 0.187 4.308 4.120 0.001 0.000 0.264 283 V C -2.145 173.825 176.094 -0.206 0.000 1.049 283 V CA -1.449 60.515 62.300 -0.559 0.000 0.896 283 V CB 0.172 31.780 31.823 -0.358 0.000 1.025 283 V HN 0.063 nan 8.190 nan 0.000 0.475 284 P HA 0.134 nan 4.420 nan 0.000 0.264 284 P C 0.995 178.296 177.300 0.001 0.000 1.193 284 P CA -0.153 62.933 63.100 -0.024 0.000 0.763 284 P CB 0.584 32.303 31.700 0.033 0.000 0.810 285 I N 0.815 121.391 120.570 0.010 0.000 2.614 285 I HA -0.097 4.073 4.170 0.001 0.000 0.258 285 I C 0.864 176.999 176.117 0.030 0.000 1.189 285 I CA 1.278 62.592 61.300 0.023 0.000 1.462 285 I CB -0.802 37.210 38.000 0.020 0.000 1.092 285 I HN 0.403 nan 8.210 nan 0.000 0.442 286 D N 1.144 121.561 120.400 0.028 0.000 2.325 286 D HA 0.128 4.768 4.640 0.001 0.000 0.251 286 D C 1.398 177.721 176.300 0.038 0.000 1.196 286 D CA 0.121 54.139 54.000 0.031 0.000 0.866 286 D CB 1.437 42.253 40.800 0.027 0.000 1.101 286 D HN 0.176 nan 8.370 nan 0.000 0.476 287 G N 3.650 112.472 108.800 0.035 0.000 2.509 287 G HA2 -0.223 3.737 3.960 0.001 0.000 0.218 287 G HA3 -0.223 3.737 3.960 0.001 0.000 0.218 287 G C 1.222 176.135 174.900 0.021 0.000 1.124 287 G CA 0.367 45.484 45.100 0.029 0.000 0.776 287 G HN 0.511 nan 8.290 nan 0.000 0.547 288 K N -0.070 120.344 120.400 0.023 0.000 2.418 288 K HA 0.107 4.427 4.320 0.001 0.000 0.195 288 K C 0.482 177.093 176.600 0.018 0.000 1.035 288 K CA 0.358 56.653 56.287 0.014 0.000 1.003 288 K CB 0.274 32.782 32.500 0.014 0.000 0.793 288 K HN 0.156 nan 8.250 nan 0.000 0.494 289 K N 1.071 121.494 120.400 0.038 0.000 2.185 289 K HA 0.248 4.569 4.320 0.001 0.000 0.269 289 K C 0.242 176.902 176.600 0.099 0.000 0.987 289 K CA -0.601 55.719 56.287 0.055 0.000 0.865 289 K CB 1.851 34.386 32.500 0.058 0.000 1.090 289 K HN 0.045 nan 8.250 nan 0.000 0.450 290 G N 1.637 110.480 108.800 0.071 0.000 2.531 290 G HA2 0.558 4.519 3.960 0.001 0.000 0.281 290 G HA3 0.558 4.519 3.960 0.001 0.000 0.281 290 G C -0.984 174.028 174.900 0.187 0.000 1.382 290 G CA -0.220 44.909 45.100 0.048 0.000 1.045 290 G HN 0.697 nan 8.290 nan 0.000 0.533 291 Y N -3.444 116.837 120.300 -0.032 0.000 2.852 291 Y HA 0.514 5.065 4.550 0.000 0.000 0.350 291 Y C -1.790 174.090 175.900 -0.033 0.000 1.272 291 Y CA -1.434 56.652 58.100 -0.022 0.000 1.086 291 Y CB 1.126 39.578 38.460 -0.013 0.000 1.408 291 Y HN 0.450 nan 8.280 nan 0.000 0.447 292 D N 1.120 121.565 120.400 0.075 0.000 2.373 292 D HA 0.176 4.817 4.640 0.001 0.000 0.227 292 D C 0.531 176.867 176.300 0.060 0.000 1.091 292 D CA -0.109 53.875 54.000 -0.027 0.000 0.840 292 D CB 2.215 43.028 40.800 0.022 0.000 1.060 292 D HN 0.645 nan 8.370 nan 0.000 0.502 293 V N 5.442 125.302 119.914 -0.089 0.000 2.828 293 V HA -0.197 3.923 4.120 0.001 0.000 0.260 293 V C 2.100 178.180 176.094 -0.023 0.000 1.101 293 V CA 1.693 64.004 62.300 0.018 0.000 1.123 293 V CB -0.297 31.461 31.823 -0.108 0.000 0.704 293 V HN 0.496 nan 8.190 nan 0.000 0.493 294 R N -0.331 120.129 120.500 -0.067 0.000 2.237 294 R HA -0.092 4.249 4.340 0.001 0.000 0.219 294 R C 1.780 178.061 176.300 -0.033 0.000 1.080 294 R CA 1.335 57.352 56.100 -0.139 0.000 0.995 294 R CB -0.234 30.006 30.300 -0.099 0.000 0.875 294 R HN 0.541 nan 8.270 nan 0.000 0.462 295 D N -0.143 120.289 120.400 0.053 0.000 2.224 295 D HA -0.085 4.556 4.640 0.001 0.000 0.205 295 D C 1.792 178.138 176.300 0.077 0.000 0.965 295 D CA 0.869 54.921 54.000 0.086 0.000 0.852 295 D CB 0.157 41.021 40.800 0.107 0.000 0.947 295 D HN 0.020 nan 8.370 nan 0.000 0.494 296 V N 1.099 121.053 119.914 0.067 0.000 2.323 296 V HA -0.150 3.971 4.120 0.001 0.000 0.244 296 V C 2.535 178.646 176.094 0.029 0.000 1.041 296 V CA 0.828 63.168 62.300 0.067 0.000 1.025 296 V CB -0.221 31.625 31.823 0.037 0.000 0.656 296 V HN 0.152 nan 8.190 nan 0.000 0.451 297 I N 0.797 121.338 120.570 -0.048 0.000 2.208 297 I HA -0.285 3.885 4.170 0.001 0.000 0.245 297 I C 2.691 178.798 176.117 -0.017 0.000 1.097 297 I CA 1.640 62.879 61.300 -0.102 0.000 1.363 297 I CB -0.603 37.198 38.000 -0.332 0.000 1.051 297 I HN 0.308 nan 8.210 nan 0.000 0.413 298 A N 0.539 123.379 122.820 0.032 0.000 1.978 298 A HA -0.196 4.124 4.320 0.001 0.000 0.220 298 A C 2.181 179.837 177.584 0.120 0.000 1.170 298 A CA 1.519 53.653 52.037 0.162 0.000 0.636 298 A CB -0.290 18.834 19.000 0.207 0.000 0.810 298 A HN 0.247 nan 8.150 nan 0.000 0.448 299 K N -0.491 119.960 120.400 0.086 0.000 2.365 299 K HA 0.193 4.513 4.320 0.001 0.000 0.197 299 K C 1.523 178.157 176.600 0.056 0.000 1.042 299 K CA 0.661 56.990 56.287 0.070 0.000 0.987 299 K CB -0.211 32.332 32.500 0.071 0.000 0.779 299 K HN 0.633 nan 8.250 nan 0.000 0.484 300 I N 1.050 121.657 120.570 0.062 0.000 2.867 300 I HA -0.068 4.102 4.170 0.001 0.000 0.265 300 I C 0.995 177.138 176.117 0.043 0.000 1.162 300 I CA 0.057 61.388 61.300 0.052 0.000 1.471 300 I CB 0.226 38.262 38.000 0.060 0.000 1.123 300 I HN -0.193 nan 8.210 nan 0.000 0.440 301 V N -1.288 118.667 119.914 0.068 0.000 2.863 301 V HA 0.324 4.445 4.120 0.001 0.000 0.307 301 V C -0.359 175.769 176.094 0.056 0.000 1.061 301 V CA -1.013 61.340 62.300 0.087 0.000 1.024 301 V CB 0.837 32.756 31.823 0.161 0.000 1.049 301 V HN -0.011 nan 8.190 nan 0.000 0.471 302 D N 2.968 123.381 120.400 0.022 0.000 2.533 302 D HA 0.053 4.694 4.640 0.001 0.000 0.236 302 D C 0.373 176.695 176.300 0.037 0.000 1.137 302 D CA 1.219 55.125 54.000 -0.156 0.000 0.867 302 D CB -0.247 40.493 40.800 -0.100 0.000 1.170 302 D HN 0.896 nan 8.370 nan 0.000 0.474 303 W N 1.353 122.699 121.300 0.076 0.000 2.929 303 W HA -0.282 4.378 4.660 0.001 0.000 0.272 303 W C 1.577 178.147 176.519 0.086 0.000 1.040 303 W CA 0.273 57.659 57.345 0.069 0.000 0.569 303 W CB -1.975 27.519 29.460 0.057 0.000 2.058 303 W HN 0.785 nan 8.180 nan 0.000 1.477 304 G N -0.112 108.840 108.800 0.252 0.000 2.148 304 G HA2 -0.352 3.608 3.960 0.001 0.000 0.254 304 G HA3 -0.352 3.608 3.960 0.001 0.000 0.254 304 G C -0.137 174.946 174.900 0.304 0.000 0.981 304 G CA 0.129 45.379 45.100 0.251 0.000 0.670 304 G HN 0.506 nan 8.290 nan 0.000 0.528 305 D N 0.219 120.811 120.400 0.321 0.000 2.264 305 D HA 0.599 5.239 4.640 0.001 0.000 0.250 305 D C 0.081 176.602 176.300 0.368 0.000 1.113 305 D CA -0.327 53.831 54.000 0.264 0.000 0.871 305 D CB 0.214 41.180 40.800 0.277 0.000 1.167 305 D HN 0.606 nan 8.370 nan 0.000 0.447 306 Y N 1.466 121.886 120.300 0.199 0.000 2.552 306 Y HA 0.397 4.947 4.550 0.001 0.000 0.337 306 Y C -1.953 174.039 175.900 0.153 0.000 1.094 306 Y CA -1.350 56.846 58.100 0.161 0.000 1.028 306 Y CB 0.977 39.489 38.460 0.087 0.000 1.321 306 Y HN 0.287 nan 8.280 nan 0.000 0.456 307 L N 4.063 125.434 121.223 0.248 0.000 2.301 307 L HA 0.423 4.763 4.340 0.001 0.000 0.278 307 L C -0.343 176.690 176.870 0.272 0.000 1.022 307 L CA -0.350 54.634 54.840 0.239 0.000 0.854 307 L CB 1.047 43.280 42.059 0.290 0.000 1.226 307 L HN 0.981 nan 8.230 nan 0.000 0.429 308 E N 2.991 123.358 120.200 0.278 0.000 2.344 308 E HA 0.236 4.586 4.350 0.001 0.000 0.270 308 E C -1.069 175.544 176.600 0.023 0.000 1.021 308 E CA -0.430 56.055 56.400 0.143 0.000 0.887 308 E CB 1.364 31.166 29.700 0.169 0.000 0.997 308 E HN 0.401 nan 8.360 nan 0.000 0.429 309 V N 5.527 125.319 119.914 -0.205 0.000 2.532 309 V HA 0.130 4.251 4.120 0.001 0.000 0.295 309 V C 0.269 176.160 176.094 -0.337 0.000 1.041 309 V CA -0.559 61.499 62.300 -0.403 0.000 0.926 309 V CB 1.422 33.092 31.823 -0.254 0.000 0.992 309 V HN 0.896 nan 8.190 nan 0.000 0.457 310 K N 2.096 122.264 120.400 -0.386 0.000 3.071 310 K HA -0.277 4.043 4.320 0.001 0.000 0.262 310 K C 1.376 177.905 176.600 -0.118 0.000 0.977 310 K CA 0.512 56.672 56.287 -0.213 0.000 0.721 310 K CB -1.210 31.221 32.500 -0.114 0.000 1.293 310 K HN 0.935 nan 8.250 nan 0.000 0.475 311 A N -0.075 122.670 122.820 -0.124 0.000 2.024 311 A HA -0.087 4.234 4.320 0.001 0.000 0.220 311 A C 2.020 179.588 177.584 -0.028 0.000 1.164 311 A CA 1.873 53.877 52.037 -0.056 0.000 0.643 311 A CB -0.073 18.923 19.000 -0.006 0.000 0.806 311 A HN 0.593 nan 8.150 nan 0.000 0.451 312 G N -3.075 105.718 108.800 -0.011 0.000 3.337 312 G HA2 0.357 4.317 3.960 0.001 0.000 0.246 312 G HA3 0.357 4.317 3.960 0.001 0.000 0.246 312 G C -0.122 174.817 174.900 0.066 0.000 1.131 312 G CA -0.006 45.102 45.100 0.014 0.000 0.773 312 G HN 0.370 nan 8.290 nan 0.000 0.544 313 Y N 0.487 120.727 120.300 -0.099 0.000 2.409 313 Y HA 0.490 5.040 4.550 0.000 0.000 0.343 313 Y C 0.340 176.184 175.900 -0.093 0.000 0.973 313 Y CA -1.262 56.781 58.100 -0.096 0.000 1.064 313 Y CB 2.008 40.398 38.460 -0.117 0.000 1.207 313 Y HN 0.362 nan 8.280 nan 0.000 0.452 314 A N 3.265 125.681 122.820 -0.672 0.000 2.312 314 A HA -0.263 4.057 4.320 0.001 0.000 0.286 314 A C 1.172 178.589 177.584 -0.277 0.000 1.425 314 A CA 1.362 53.069 52.037 -0.550 0.000 0.748 314 A CB -2.325 16.262 19.000 -0.689 0.000 1.126 314 A HN 1.322 nan 8.150 nan 0.000 0.368 315 T N -1.000 113.434 114.554 -0.199 0.000 3.155 315 T HA -0.119 4.231 4.350 0.001 0.000 0.264 315 T C 1.250 175.860 174.700 -0.149 0.000 1.160 315 T CA 1.060 63.074 62.100 -0.144 0.000 1.075 315 T CB -0.586 68.218 68.868 -0.105 0.000 0.921 315 T HN 0.942 nan 8.240 nan 0.000 0.533 316 N N 1.021 119.623 118.700 -0.164 0.000 2.521 316 N HA 0.039 4.779 4.740 0.001 0.000 0.188 316 N C 0.393 175.808 175.510 -0.158 0.000 1.146 316 N CA 0.037 52.992 53.050 -0.158 0.000 0.893 316 N CB 0.029 38.426 38.487 -0.150 0.000 0.975 316 N HN 0.403 nan 8.380 nan 0.000 0.451 317 L N 0.997 122.126 121.223 -0.155 0.000 2.470 317 L HA 0.446 4.787 4.340 0.001 0.000 0.268 317 L C -1.573 175.204 176.870 -0.155 0.000 0.964 317 L CA -0.677 54.078 54.840 -0.142 0.000 0.839 317 L CB 2.174 44.165 42.059 -0.112 0.000 1.276 317 L HN -0.297 nan 8.230 nan 0.000 0.403 318 V N 3.555 123.370 119.914 -0.166 0.000 2.472 318 V HA 0.640 4.760 4.120 0.001 0.000 0.290 318 V C 0.295 176.225 176.094 -0.272 0.000 1.037 318 V CA -0.305 61.874 62.300 -0.200 0.000 0.908 318 V CB 2.011 33.718 31.823 -0.193 0.000 0.985 318 V HN 0.890 nan 8.190 nan 0.000 0.454 319 T N 1.711 116.024 114.554 -0.401 0.000 2.840 319 T HA 0.883 5.233 4.350 0.001 0.000 0.287 319 T C -0.601 173.628 174.700 -0.785 0.000 0.991 319 T CA -0.478 61.149 62.100 -0.788 0.000 0.964 319 T CB 1.720 69.915 68.868 -1.122 0.000 0.954 319 T HN 1.138 nan 8.240 nan 0.000 0.438 320 A N 2.820 125.219 122.820 -0.702 0.000 2.594 320 A HA 0.787 5.107 4.320 0.001 0.000 0.295 320 A C -1.293 176.164 177.584 -0.212 0.000 1.071 320 A CA -1.060 50.757 52.037 -0.368 0.000 0.685 320 A CB 1.202 20.138 19.000 -0.105 0.000 1.285 320 A HN 0.773 nan 8.150 nan 0.000 0.405 321 F N 0.734 120.648 119.950 -0.061 0.000 2.379 321 F HA 0.684 5.212 4.527 0.000 0.000 0.332 321 F C 0.888 176.445 175.800 -0.405 0.000 1.096 321 F CA 0.850 58.649 58.000 -0.335 0.000 1.105 321 F CB 1.947 40.361 39.000 -0.978 0.000 1.189 321 F HN 0.960 nan 8.300 nan 0.000 0.515 322 A N 3.066 125.893 122.820 0.012 0.000 2.506 322 A HA 0.869 5.190 4.320 0.001 0.000 0.305 322 A C -1.283 176.523 177.584 0.370 0.000 1.166 322 A CA -1.037 51.155 52.037 0.259 0.000 0.638 322 A CB 1.715 20.854 19.000 0.232 0.000 1.336 322 A HN 0.714 nan 8.150 nan 0.000 0.493 323 R N -0.989 119.706 120.500 0.325 0.000 2.771 323 R HA 0.682 5.022 4.340 0.001 0.000 0.274 323 R C -1.923 174.439 176.300 0.104 0.000 0.987 323 R CA -0.765 55.460 56.100 0.209 0.000 0.908 323 R CB 2.486 32.912 30.300 0.210 0.000 1.213 323 R HN 0.447 nan 8.270 nan 0.000 0.468 324 V N 2.122 122.047 119.914 0.019 0.000 2.482 324 V HA 0.214 4.334 4.120 0.001 0.000 0.295 324 V C -0.064 175.986 176.094 -0.072 0.000 1.026 324 V CA -0.826 61.468 62.300 -0.010 0.000 0.856 324 V CB 1.302 33.136 31.823 0.019 0.000 1.001 324 V HN 0.959 nan 8.190 nan 0.000 0.424 325 N N 3.808 122.468 118.700 -0.065 0.000 2.725 325 N HA -0.239 4.501 4.740 0.001 0.000 0.249 325 N C 1.124 176.573 175.510 -0.100 0.000 1.103 325 N CA 0.746 53.768 53.050 -0.047 0.000 0.707 325 N CB -0.791 37.698 38.487 0.002 0.000 1.043 325 N HN 1.411 nan 8.380 nan 0.000 0.553 326 G N -0.148 108.578 108.800 -0.123 0.000 2.217 326 G HA2 -0.389 3.572 3.960 0.001 0.000 0.246 326 G HA3 -0.389 3.572 3.960 0.001 0.000 0.246 326 G C 0.099 174.617 174.900 -0.637 0.000 0.990 326 G CA 0.447 45.434 45.100 -0.188 0.000 0.627 326 G HN 0.552 nan 8.290 nan 0.000 0.522 327 R N 1.320 121.287 120.500 -0.888 0.000 2.308 327 R HA 0.537 4.877 4.340 0.001 0.000 0.305 327 R C 0.125 176.318 176.300 -0.179 0.000 1.053 327 R CA 0.001 55.575 56.100 -0.877 0.000 0.957 327 R CB 0.392 30.284 30.300 -0.681 0.000 1.022 327 R HN 0.170 nan 8.270 nan 0.000 0.461 328 S N 2.681 118.390 115.700 0.016 0.000 2.549 328 S HA 0.225 4.696 4.470 0.001 0.000 0.283 328 S C -0.231 174.499 174.600 0.215 0.000 1.320 328 S CA -0.499 57.843 58.200 0.237 0.000 1.058 328 S CB 0.988 64.368 63.200 0.300 0.000 0.882 328 S HN 0.490 nan 8.310 nan 0.000 0.498 329 V N 0.000 120.076 119.914 0.269 0.000 3.114 329 V HA 1.010 5.131 4.120 0.001 0.000 0.308 329 V C -0.113 176.174 176.094 0.321 0.000 1.168 329 V CA -1.030 61.416 62.300 0.242 0.000 1.015 329 V CB 1.783 33.711 31.823 0.175 0.000 1.050 329 V HN 0.854 nan 8.190 nan 0.000 0.433 330 G N 1.958 110.925 108.800 0.279 0.000 2.487 330 G HA2 0.721 4.681 3.960 0.001 0.000 0.314 330 G HA3 0.721 4.681 3.960 0.001 0.000 0.314 330 G C -0.975 174.140 174.900 0.358 0.000 1.267 330 G CA -0.702 44.605 45.100 0.344 0.000 0.937 330 G HN 0.806 nan 8.290 nan 0.000 0.481 331 I N 1.898 122.632 120.570 0.273 0.000 2.392 331 I HA 0.368 4.539 4.170 0.001 0.000 0.295 331 I C -0.415 175.733 176.117 0.051 0.000 0.985 331 I CA -0.970 60.405 61.300 0.124 0.000 1.221 331 I CB 2.193 40.197 38.000 0.008 0.000 1.366 331 I HN 0.035 nan 8.210 nan 0.000 0.467 332 V N 5.470 125.435 119.914 0.085 0.000 2.444 332 V HA 0.784 4.904 4.120 0.001 0.000 0.294 332 V C -0.163 175.926 176.094 -0.009 0.000 1.022 332 V CA -0.428 61.898 62.300 0.044 0.000 0.850 332 V CB 1.431 33.384 31.823 0.216 0.000 0.992 332 V HN 0.847 nan 8.190 nan 0.000 0.426 333 A N 4.048 126.822 122.820 -0.077 0.000 2.427 333 A HA 0.716 5.036 4.320 0.001 0.000 0.298 333 A C -0.558 176.953 177.584 -0.121 0.000 1.036 333 A CA -0.819 51.160 52.037 -0.096 0.000 0.701 333 A CB 1.041 19.970 19.000 -0.120 0.000 1.250 333 A HN 0.832 nan 8.150 nan 0.000 0.412 334 N N 1.066 119.692 118.700 -0.123 0.000 2.479 334 N HA 0.368 5.109 4.740 0.001 0.000 0.257 334 N C -0.200 175.190 175.510 -0.200 0.000 1.232 334 N CA 0.079 53.037 53.050 -0.153 0.000 0.920 334 N CB 0.526 38.920 38.487 -0.154 0.000 1.105 334 N HN 0.627 nan 8.380 nan 0.000 0.444 335 Q N 2.374 122.043 119.800 -0.219 0.000 2.506 335 Q HA 0.340 4.680 4.340 0.001 0.000 0.242 335 Q C -2.274 173.542 176.000 -0.306 0.000 1.060 335 Q CA -2.163 53.479 55.803 -0.268 0.000 0.826 335 Q CB 1.310 29.924 28.738 -0.206 0.000 1.169 335 Q HN 0.362 nan 8.270 nan 0.000 0.521 336 P HA -0.150 nan 4.420 nan 0.000 0.221 336 P C 0.522 177.642 177.300 -0.299 0.000 1.145 336 P CA 1.239 64.105 63.100 -0.390 0.000 0.795 336 P CB 0.287 31.652 31.700 -0.559 0.000 0.775 337 S N -2.338 113.173 115.700 -0.315 0.000 2.607 337 S HA 0.071 4.541 4.470 0.001 0.000 0.224 337 S C 0.626 175.141 174.600 -0.142 0.000 0.969 337 S CA 0.032 58.116 58.200 -0.193 0.000 0.927 337 S CB -0.641 62.458 63.200 -0.169 0.000 0.772 337 S HN -0.109 nan 8.310 nan 0.000 0.533 338 V N 2.133 121.954 119.914 -0.154 0.000 2.482 338 V HA 0.410 4.531 4.120 0.001 0.000 0.295 338 V C 0.027 176.046 176.094 -0.124 0.000 1.026 338 V CA -0.800 61.425 62.300 -0.125 0.000 0.856 338 V CB 0.906 32.653 31.823 -0.126 0.000 1.001 338 V HN 0.498 nan 8.190 nan 0.000 0.424 339 M N 3.069 122.608 119.600 -0.101 0.000 2.302 339 M HA -0.256 4.224 4.480 0.001 0.000 0.200 339 M C 0.953 177.192 176.300 -0.102 0.000 0.366 339 M CA 0.903 56.147 55.300 -0.093 0.000 0.440 339 M CB -1.479 31.065 32.600 -0.093 0.000 1.475 339 M HN 0.903 nan 8.290 nan 0.000 0.905 340 S N -1.840 113.796 115.700 -0.108 0.000 3.358 340 S HA -0.209 4.261 4.470 0.001 0.000 0.309 340 S C 1.217 175.727 174.600 -0.150 0.000 1.247 340 S CA 1.621 59.750 58.200 -0.117 0.000 0.961 340 S CB -1.535 61.609 63.200 -0.094 0.000 1.074 340 S HN 1.665 nan 8.310 nan 0.000 0.625 341 G N -1.050 107.652 108.800 -0.165 0.000 2.162 341 G HA2 -0.381 3.579 3.960 0.001 0.000 0.260 341 G HA3 -0.381 3.579 3.960 0.001 0.000 0.260 341 G C 0.377 175.171 174.900 -0.177 0.000 0.976 341 G CA 0.133 45.122 45.100 -0.185 0.000 0.655 341 G HN 1.001 nan 8.290 nan 0.000 0.533 342 C N 0.604 119.811 119.300 -0.154 0.000 2.679 342 C HA 0.492 4.952 4.460 0.001 0.000 0.417 342 C C 1.420 176.315 174.990 -0.159 0.000 1.302 342 C CA -0.371 58.552 59.018 -0.157 0.000 1.973 342 C CB -0.171 27.511 27.740 -0.098 0.000 2.715 342 C HN 0.484 nan 8.230 nan 0.000 0.628 343 L N 3.639 124.728 121.223 -0.224 0.000 2.379 343 L HA 0.494 4.834 4.340 0.001 0.000 0.269 343 L C 0.186 177.093 176.870 0.062 0.000 1.084 343 L CA 0.139 54.893 54.840 -0.143 0.000 0.802 343 L CB 0.924 42.788 42.059 -0.324 0.000 1.175 343 L HN 0.802 nan 8.230 nan 0.000 0.448 344 D N 0.806 121.266 120.400 0.100 0.000 2.798 344 D HA 0.258 4.899 4.640 0.001 0.000 0.308 344 D C 0.826 177.171 176.300 0.074 0.000 1.187 344 D CA -0.657 53.407 54.000 0.107 0.000 1.033 344 D CB 0.705 41.502 40.800 -0.005 0.000 1.445 344 D HN 0.293 nan 8.370 nan 0.000 0.550 345 I N 0.013 120.572 120.570 -0.018 0.000 2.099 345 I HA -0.294 3.876 4.170 0.001 0.000 0.239 345 I C 1.814 177.893 176.117 -0.065 0.000 1.066 345 I CA 1.437 62.669 61.300 -0.113 0.000 1.324 345 I CB -0.481 37.339 38.000 -0.300 0.000 1.037 345 I HN 0.303 nan 8.210 nan 0.000 0.401 346 N N 1.087 119.731 118.700 -0.092 0.000 2.120 346 N HA -0.146 4.594 4.740 0.001 0.000 0.188 346 N C 1.831 177.285 175.510 -0.092 0.000 1.024 346 N CA 1.709 54.702 53.050 -0.095 0.000 0.852 346 N CB -0.548 37.731 38.487 -0.346 0.000 1.003 346 N HN 0.387 nan 8.380 nan 0.000 0.424 347 A N 0.327 123.076 122.820 -0.119 0.000 1.969 347 A HA -0.047 4.273 4.320 0.001 0.000 0.218 347 A C 2.447 180.056 177.584 0.042 0.000 1.169 347 A CA 1.485 53.477 52.037 -0.074 0.000 0.635 347 A CB -0.590 18.358 19.000 -0.086 0.000 0.810 347 A HN 0.246 nan 8.150 nan 0.000 0.445 348 S N 0.220 115.980 115.700 0.100 0.000 2.356 348 S HA -0.153 4.318 4.470 0.001 0.000 0.223 348 S C 1.635 176.337 174.600 0.170 0.000 1.032 348 S CA 1.428 59.726 58.200 0.164 0.000 1.005 348 S CB -0.389 62.935 63.200 0.207 0.000 0.867 348 S HN 0.609 nan 8.310 nan 0.000 0.449 349 D N 1.029 121.543 120.400 0.190 0.000 2.097 349 D HA -0.095 4.545 4.640 0.001 0.000 0.195 349 D C 1.929 178.344 176.300 0.193 0.000 0.989 349 D CA 1.002 55.133 54.000 0.218 0.000 0.827 349 D CB -0.277 40.671 40.800 0.248 0.000 0.966 349 D HN 0.369 nan 8.370 nan 0.000 0.456 350 K N 0.704 121.214 120.400 0.184 0.000 2.032 350 K HA -0.149 4.171 4.320 0.001 0.000 0.209 350 K C 2.002 178.677 176.600 0.123 0.000 1.048 350 K CA 1.528 57.906 56.287 0.150 0.000 0.927 350 K CB -0.055 32.507 32.500 0.104 0.000 0.712 350 K HN 0.030 nan 8.250 nan 0.000 0.441 351 A N 0.904 123.789 122.820 0.108 0.000 1.873 351 A HA -0.037 4.284 4.320 0.001 0.000 0.215 351 A C 2.357 180.025 177.584 0.141 0.000 1.186 351 A CA 1.747 53.856 52.037 0.120 0.000 0.616 351 A CB -0.906 18.162 19.000 0.114 0.000 0.823 351 A HN 0.496 nan 8.150 nan 0.000 0.442 352 A N -0.296 122.612 122.820 0.147 0.000 1.908 352 A HA -0.219 4.102 4.320 0.001 0.000 0.218 352 A C 2.057 179.749 177.584 0.181 0.000 1.181 352 A CA 1.904 54.042 52.037 0.168 0.000 0.627 352 A CB -0.614 18.550 19.000 0.274 0.000 0.818 352 A HN 0.681 nan 8.150 nan 0.000 0.445 353 E N -1.446 118.867 120.200 0.188 0.000 2.085 353 E HA -0.221 4.130 4.350 0.001 0.000 0.194 353 E C 1.790 178.512 176.600 0.204 0.000 0.994 353 E CA 1.427 57.915 56.400 0.148 0.000 0.801 353 E CB -0.262 29.522 29.700 0.141 0.000 0.743 353 E HN 0.588 nan 8.360 nan 0.000 0.453 354 F N 0.715 120.709 119.950 0.074 0.000 2.146 354 F HA -0.166 4.362 4.527 0.001 0.000 0.298 354 F C 2.056 177.927 175.800 0.118 0.000 1.096 354 F CA 1.091 59.152 58.000 0.101 0.000 1.275 354 F CB -0.297 38.712 39.000 0.015 0.000 1.008 354 F HN -0.119 nan 8.300 nan 0.000 0.480 355 V N 0.856 120.816 119.914 0.077 0.000 2.261 355 V HA -0.341 3.780 4.120 0.001 0.000 0.246 355 V C 2.259 178.302 176.094 -0.085 0.000 1.047 355 V CA 2.203 64.429 62.300 -0.124 0.000 1.015 355 V CB -0.837 30.755 31.823 -0.384 0.000 0.642 355 V HN 0.350 nan 8.190 nan 0.000 0.446 356 N N -0.304 118.386 118.700 -0.017 0.000 2.104 356 N HA -0.189 4.551 4.740 0.001 0.000 0.190 356 N C 1.690 177.176 175.510 -0.040 0.000 1.024 356 N CA 1.713 54.745 53.050 -0.030 0.000 0.853 356 N CB -0.515 37.934 38.487 -0.064 0.000 1.008 356 N HN 0.549 nan 8.380 nan 0.000 0.424 357 F N 1.502 121.411 119.950 -0.068 0.000 2.102 357 F HA -0.171 4.356 4.527 0.001 0.000 0.298 357 F C 2.357 178.206 175.800 0.081 0.000 1.105 357 F CA 1.102 59.116 58.000 0.024 0.000 1.239 357 F CB -0.532 38.492 39.000 0.040 0.000 0.991 357 F HN -0.000 nan 8.300 nan 0.000 0.474 358 C N 0.402 119.674 119.300 -0.048 0.000 2.429 358 C HA -0.189 4.271 4.460 0.001 0.000 0.277 358 C C 2.543 177.460 174.990 -0.120 0.000 1.262 358 C CA 1.562 60.536 59.018 -0.074 0.000 1.733 358 C CB -1.289 26.368 27.740 -0.138 0.000 2.010 358 C HN 0.634 nan 8.230 nan 0.000 0.483 359 D N 0.653 120.974 120.400 -0.132 0.000 2.097 359 D HA -0.113 4.527 4.640 0.001 0.000 0.195 359 D C 2.193 178.360 176.300 -0.221 0.000 0.989 359 D CA 1.666 55.593 54.000 -0.122 0.000 0.827 359 D CB -0.058 40.688 40.800 -0.090 0.000 0.966 359 D HN 0.336 nan 8.370 nan 0.000 0.456 360 S N -1.028 114.456 115.700 -0.360 0.000 2.383 360 S HA -0.119 4.351 4.470 0.001 0.000 0.229 360 S C 1.050 175.115 174.600 -0.892 0.000 1.030 360 S CA 0.755 58.579 58.200 -0.627 0.000 1.002 360 S CB -0.301 62.424 63.200 -0.791 0.000 0.829 360 S HN 0.333 nan 8.310 nan 0.000 0.467 361 F N 1.659 121.402 119.950 -0.347 0.000 2.750 361 F HA 0.353 4.880 4.527 0.001 0.000 0.297 361 F C 0.450 176.188 175.800 -0.104 0.000 1.138 361 F CA -0.586 57.269 58.000 -0.242 0.000 1.346 361 F CB -0.310 38.480 39.000 -0.351 0.000 0.965 361 F HN 0.004 nan 8.300 nan 0.000 0.514 362 N N 1.092 119.780 118.700 -0.019 0.000 2.735 362 N HA -0.230 4.510 4.740 0.001 0.000 0.248 362 N C -0.448 175.120 175.510 0.097 0.000 1.083 362 N CA 0.669 53.743 53.050 0.039 0.000 0.703 362 N CB -1.685 36.837 38.487 0.058 0.000 1.005 362 N HN 0.388 nan 8.380 nan 0.000 0.550 363 I N 0.990 121.621 120.570 0.100 0.000 2.312 363 I HA 0.239 4.409 4.170 0.001 0.000 0.290 363 I C -1.985 174.206 176.117 0.123 0.000 1.008 363 I CA -1.882 59.508 61.300 0.150 0.000 1.226 363 I CB 1.240 39.374 38.000 0.223 0.000 1.371 363 I HN -0.289 nan 8.210 nan 0.000 0.468 364 P HA 0.076 nan 4.420 nan 0.000 0.266 364 P C -0.908 176.471 177.300 0.133 0.000 1.193 364 P CA 0.104 63.278 63.100 0.124 0.000 0.770 364 P CB 0.496 32.276 31.700 0.134 0.000 0.836 365 L N 2.699 124.000 121.223 0.131 0.000 2.305 365 L HA 0.433 4.773 4.340 0.001 0.000 0.284 365 L C -0.501 176.462 176.870 0.156 0.000 1.013 365 L CA -0.806 54.137 54.840 0.172 0.000 0.819 365 L CB 1.677 43.879 42.059 0.238 0.000 1.227 365 L HN 0.054 nan 8.230 nan 0.000 0.417 366 V N 3.062 123.071 119.914 0.158 0.000 2.409 366 V HA 0.374 4.494 4.120 0.001 0.000 0.291 366 V C -0.419 175.733 176.094 0.096 0.000 1.020 366 V CA -0.698 61.669 62.300 0.112 0.000 0.848 366 V CB 1.674 33.561 31.823 0.106 0.000 0.990 366 V HN 0.653 nan 8.190 nan 0.000 0.430 367 Q N 4.340 124.168 119.800 0.048 0.000 2.256 367 Q HA 0.684 5.025 4.340 0.001 0.000 0.257 367 Q C -0.959 175.025 176.000 -0.027 0.000 0.936 367 Q CA -0.146 55.665 55.803 0.012 0.000 0.903 367 Q CB 2.090 30.794 28.738 -0.057 0.000 1.263 367 Q HN 0.656 nan 8.270 nan 0.000 0.440 368 L N 2.444 123.635 121.223 -0.053 0.000 2.316 368 L HA 0.594 4.934 4.340 0.001 0.000 0.280 368 L C -0.911 175.891 176.870 -0.112 0.000 1.006 368 L CA -1.048 53.725 54.840 -0.112 0.000 0.836 368 L CB 1.313 43.297 42.059 -0.126 0.000 1.221 368 L HN 0.294 nan 8.230 nan 0.000 0.418 369 V N 1.795 121.634 119.914 -0.124 0.000 2.435 369 V HA 0.484 4.605 4.120 0.001 0.000 0.290 369 V C -0.482 175.539 176.094 -0.120 0.000 1.030 369 V CA -0.319 61.926 62.300 -0.092 0.000 0.881 369 V CB 1.826 33.639 31.823 -0.017 0.000 0.983 369 V HN 0.689 nan 8.190 nan 0.000 0.445 370 D N 3.258 123.589 120.400 -0.115 0.000 2.881 370 D HA 0.175 4.816 4.640 0.001 0.000 0.238 370 D C -1.631 174.570 176.300 -0.165 0.000 1.368 370 D CA 0.021 53.947 54.000 -0.123 0.000 0.871 370 D CB 1.492 42.261 40.800 -0.052 0.000 1.516 370 D HN 0.378 nan 8.370 nan 0.000 0.544 371 V N 4.065 123.865 119.914 -0.190 0.000 2.577 371 V HA 0.598 4.719 4.120 0.001 0.000 0.303 371 V C -1.995 173.916 176.094 -0.306 0.000 1.042 371 V CA -1.974 60.193 62.300 -0.222 0.000 0.872 371 V CB 2.644 34.353 31.823 -0.190 0.000 0.998 371 V HN 0.139 nan 8.190 nan 0.000 0.423 372 P HA 0.323 nan 4.420 nan 0.000 0.251 372 P C 0.525 177.746 177.300 -0.132 0.000 1.223 372 P CA 1.169 64.021 63.100 -0.413 0.000 0.796 372 P CB 0.559 32.080 31.700 -0.300 0.000 1.068 373 G N -0.528 108.181 108.800 -0.151 0.000 2.346 373 G HA2 0.090 4.051 3.960 0.001 0.000 0.294 373 G HA3 0.090 4.051 3.960 0.001 0.000 0.294 373 G C -1.605 173.142 174.900 -0.255 0.000 1.294 373 G CA -0.999 44.038 45.100 -0.105 0.000 0.962 373 G HN -0.043 nan 8.290 nan 0.000 0.508 374 F N -0.151 119.812 119.950 0.022 0.000 2.371 374 F HA 0.593 5.120 4.527 0.000 0.000 0.329 374 F C 0.971 176.763 175.800 -0.013 0.000 1.107 374 F CA -0.466 57.535 58.000 0.001 0.000 1.137 374 F CB 1.419 40.424 39.000 0.008 0.000 1.214 374 F HN 0.428 nan 8.300 nan 0.000 0.536 375 L N 5.385 126.695 121.223 0.145 0.000 2.562 375 L HA 0.210 4.551 4.340 0.001 0.000 0.271 375 L C -2.400 174.504 176.870 0.056 0.000 1.167 375 L CA -1.236 53.639 54.840 0.057 0.000 0.917 375 L CB -0.454 41.618 42.059 0.022 0.000 1.187 375 L HN 0.283 nan 8.230 nan 0.000 0.482 376 P HA 0.580 nan 4.420 nan 0.000 0.275 376 P C -0.694 176.595 177.300 -0.018 0.000 1.228 376 P CA -0.269 62.839 63.100 0.012 0.000 0.786 376 P CB 1.187 32.892 31.700 0.008 0.000 0.927 377 G N 0.109 108.884 108.800 -0.041 0.000 2.282 377 G HA2 0.096 4.056 3.960 0.001 0.000 0.274 377 G HA3 0.096 4.056 3.960 0.001 0.000 0.274 377 G C 0.298 175.124 174.900 -0.125 0.000 1.718 377 G CA -0.740 44.316 45.100 -0.073 0.000 0.927 377 G HN 0.245 nan 8.290 nan 0.000 0.733 378 V N 1.581 121.382 119.914 -0.188 0.000 2.287 378 V HA -0.216 3.904 4.120 0.001 0.000 0.248 378 V C 2.891 178.748 176.094 -0.395 0.000 1.053 378 V CA 2.431 64.509 62.300 -0.370 0.000 1.027 378 V CB -0.348 31.214 31.823 -0.435 0.000 0.646 378 V HN 0.713 nan 8.190 nan 0.000 0.447 379 Q N -0.571 119.101 119.800 -0.213 0.000 2.291 379 Q HA -0.176 4.164 4.340 0.001 0.000 0.206 379 Q C 2.277 178.256 176.000 -0.035 0.000 0.976 379 Q CA 1.211 56.964 55.803 -0.083 0.000 0.875 379 Q CB -0.390 28.326 28.738 -0.037 0.000 0.927 379 Q HN 0.635 nan 8.270 nan 0.000 0.450 380 Q N 0.208 119.972 119.800 -0.060 0.000 2.083 380 Q HA -0.106 4.234 4.340 0.001 0.000 0.198 380 Q C 1.811 177.803 176.000 -0.013 0.000 0.969 380 Q CA 0.862 56.643 55.803 -0.036 0.000 0.838 380 Q CB 0.142 28.863 28.738 -0.028 0.000 0.900 380 Q HN 0.423 nan 8.270 nan 0.000 0.436 381 E N -0.106 120.079 120.200 -0.025 0.000 2.047 381 E HA -0.131 4.219 4.350 0.001 0.000 0.191 381 E C 1.959 178.672 176.600 0.189 0.000 0.987 381 E CA 0.842 57.264 56.400 0.038 0.000 0.799 381 E CB -0.274 29.426 29.700 -0.001 0.000 0.752 381 E HN 0.386 nan 8.360 nan 0.000 0.449 382 Y N 0.642 120.934 120.300 -0.013 0.000 2.352 382 Y HA 0.018 4.568 4.550 0.000 0.000 0.292 382 Y C 2.400 178.299 175.900 -0.002 0.000 1.136 382 Y CA 0.909 59.005 58.100 -0.007 0.000 1.227 382 Y CB -0.932 37.523 38.460 -0.008 0.000 0.991 382 Y HN 0.049 nan 8.280 nan 0.000 0.545 383 G N -1.128 107.761 108.800 0.149 0.000 2.920 383 G HA2 0.279 4.239 3.960 0.001 0.000 0.208 383 G HA3 0.279 4.239 3.960 0.001 0.000 0.208 383 G C 1.115 176.064 174.900 0.082 0.000 1.159 383 G CA 0.335 45.475 45.100 0.066 0.000 0.784 383 G HN 0.533 nan 8.290 nan 0.000 0.535 384 G N 0.155 109.023 108.800 0.113 0.000 2.303 384 G HA2 -0.250 3.710 3.960 0.001 0.000 0.260 384 G HA3 -0.250 3.710 3.960 0.001 0.000 0.260 384 G C 0.884 175.900 174.900 0.193 0.000 1.106 384 G CA 0.242 45.437 45.100 0.158 0.000 0.900 384 G HN 0.544 nan 8.290 nan 0.000 0.495 385 I N -0.012 120.587 120.570 0.049 0.000 2.335 385 I HA -0.093 4.078 4.170 0.001 0.000 0.251 385 I C 2.459 178.523 176.117 -0.088 0.000 1.129 385 I CA 1.670 62.954 61.300 -0.027 0.000 1.402 385 I CB -0.189 37.749 38.000 -0.103 0.000 1.069 385 I HN 0.542 nan 8.210 nan 0.000 0.424 386 I N 1.103 121.628 120.570 -0.075 0.000 2.127 386 I HA -0.346 3.824 4.170 0.001 0.000 0.241 386 I C 2.696 178.754 176.117 -0.097 0.000 1.075 386 I CA 2.067 63.301 61.300 -0.111 0.000 1.334 386 I CB -0.580 37.379 38.000 -0.069 0.000 1.040 386 I HN 0.330 nan 8.210 nan 0.000 0.405 387 R N 0.057 120.517 120.500 -0.066 0.000 2.115 387 R HA -0.117 4.224 4.340 0.001 0.000 0.226 387 R C 1.986 178.167 176.300 -0.199 0.000 1.100 387 R CA 1.358 57.372 56.100 -0.145 0.000 0.980 387 R CB -0.732 29.463 30.300 -0.175 0.000 0.875 387 R HN 0.399 nan 8.270 nan 0.000 0.445 388 H N 0.733 119.748 119.070 -0.091 0.000 2.372 388 H HA 0.108 4.664 4.556 0.001 0.000 0.301 388 H C 2.313 177.605 175.328 -0.060 0.000 1.065 388 H CA 1.785 57.797 56.048 -0.061 0.000 1.364 388 H CB -0.311 29.441 29.762 -0.018 0.000 1.406 388 H HN 0.440 nan 8.280 nan 0.000 0.521 389 G N 0.248 109.054 108.800 0.011 0.000 2.432 389 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 389 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 389 G C 1.853 176.748 174.900 -0.007 0.000 1.135 389 G CA 0.746 45.828 45.100 -0.031 0.000 0.767 389 G HN 0.511 nan 8.290 nan 0.000 0.550 390 A N 0.729 123.501 122.820 -0.079 0.000 2.070 390 A HA 0.007 4.327 4.320 0.001 0.000 0.220 390 A C 2.259 179.783 177.584 -0.100 0.000 1.159 390 A CA 1.787 53.779 52.037 -0.074 0.000 0.656 390 A CB -0.288 18.644 19.000 -0.113 0.000 0.800 390 A HN 0.416 nan 8.150 nan 0.000 0.453 391 K N -0.809 119.490 120.400 -0.168 0.000 2.097 391 K HA -0.079 4.242 4.320 0.001 0.000 0.206 391 K C 1.974 178.566 176.600 -0.013 0.000 1.049 391 K CA 1.653 57.764 56.287 -0.293 0.000 0.933 391 K CB -0.277 32.105 32.500 -0.198 0.000 0.717 391 K HN 0.533 nan 8.250 nan 0.000 0.442 392 M N 0.595 120.249 119.600 0.090 0.000 2.132 392 M HA -0.128 4.352 4.480 0.001 0.000 0.263 392 M C 2.141 178.564 176.300 0.205 0.000 1.065 392 M CA 1.461 56.859 55.300 0.163 0.000 1.122 392 M CB -0.305 32.435 32.600 0.235 0.000 1.365 392 M HN 0.096 nan 8.290 nan 0.000 0.411 393 L N -1.316 120.007 121.223 0.166 0.000 2.046 393 L HA -0.245 4.095 4.340 0.001 0.000 0.208 393 L C 2.568 179.510 176.870 0.119 0.000 1.077 393 L CA 1.565 56.488 54.840 0.140 0.000 0.747 393 L CB -0.792 41.317 42.059 0.083 0.000 0.896 393 L HN 0.256 nan 8.230 nan 0.000 0.432 394 Y N 0.419 120.703 120.300 -0.026 0.000 2.133 394 Y HA -0.278 4.272 4.550 0.001 0.000 0.287 394 Y C 2.550 178.488 175.900 0.062 0.000 1.134 394 Y CA 1.524 59.605 58.100 -0.032 0.000 1.133 394 Y CB -0.159 38.180 38.460 -0.203 0.000 0.987 394 Y HN 0.107 nan 8.280 nan 0.000 0.502 395 A N -0.440 122.591 122.820 0.352 0.000 1.883 395 A HA -0.245 4.075 4.320 0.001 0.000 0.217 395 A C 2.063 179.672 177.584 0.042 0.000 1.186 395 A CA 1.931 54.118 52.037 0.251 0.000 0.624 395 A CB -1.537 17.560 19.000 0.161 0.000 0.822 395 A HN 0.701 nan 8.150 nan 0.000 0.444 396 Y N 0.252 120.600 120.300 0.080 0.000 2.242 396 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 396 Y C 3.060 178.937 175.900 -0.038 0.000 1.137 396 Y CA 1.272 59.382 58.100 0.016 0.000 1.181 396 Y CB -0.049 38.411 38.460 0.001 0.000 0.989 396 Y HN 0.296 nan 8.280 nan 0.000 0.527 397 S N -0.308 115.440 115.700 0.080 0.000 2.399 397 S HA -0.229 4.241 4.470 0.001 0.000 0.231 397 S C 1.849 176.392 174.600 -0.095 0.000 1.022 397 S CA 1.552 59.728 58.200 -0.039 0.000 0.983 397 S CB -0.233 62.900 63.200 -0.112 0.000 0.803 397 S HN 0.554 nan 8.310 nan 0.000 0.480 398 E N 1.282 121.401 120.200 -0.136 0.000 2.230 398 E HA 0.160 4.510 4.350 0.001 0.000 0.192 398 E C 0.694 177.269 176.600 -0.040 0.000 0.987 398 E CA 0.267 56.589 56.400 -0.129 0.000 0.841 398 E CB -0.071 29.532 29.700 -0.162 0.000 0.783 398 E HN 0.420 nan 8.360 nan 0.000 0.481 399 A N 0.761 123.580 122.820 -0.003 0.000 2.540 399 A HA 0.082 4.402 4.320 0.001 0.000 0.239 399 A C 0.924 178.512 177.584 0.006 0.000 1.061 399 A CA 0.685 52.727 52.037 0.008 0.000 0.758 399 A CB 0.266 19.291 19.000 0.043 0.000 0.991 399 A HN 0.404 nan 8.150 nan 0.000 0.502 400 T N -0.513 114.038 114.554 -0.004 0.000 3.003 400 T HA 0.300 4.650 4.350 0.001 0.000 0.261 400 T C 0.612 175.318 174.700 0.010 0.000 1.003 400 T CA 0.486 62.584 62.100 -0.002 0.000 0.917 400 T CB -1.211 67.651 68.868 -0.009 0.000 1.084 400 T HN 1.193 nan 8.240 nan 0.000 0.522 401 V N -0.259 119.664 119.914 0.016 0.000 3.237 401 V HA 0.429 4.549 4.120 0.001 0.000 0.305 401 V C -2.748 173.367 176.094 0.036 0.000 1.096 401 V CA -2.257 60.064 62.300 0.035 0.000 1.130 401 V CB -0.415 31.432 31.823 0.040 0.000 1.048 401 V HN -0.014 nan 8.190 nan 0.000 0.484 402 P HA 0.260 nan 4.420 nan 0.000 0.265 402 P C -0.874 176.428 177.300 0.002 0.000 1.193 402 P CA 0.244 63.352 63.100 0.014 0.000 0.765 402 P CB 0.201 31.962 31.700 0.101 0.000 0.823 403 K N 3.448 123.804 120.400 -0.073 0.000 2.502 403 K HA 0.547 4.867 4.320 0.001 0.000 0.254 403 K C -0.654 175.886 176.600 -0.100 0.000 0.947 403 K CA -0.413 55.852 56.287 -0.038 0.000 0.834 403 K CB 1.433 33.916 32.500 -0.029 0.000 1.112 403 K HN 0.394 nan 8.250 nan 0.000 0.427 404 I N 2.132 122.683 120.570 -0.032 0.000 2.418 404 I HA 0.282 4.453 4.170 0.001 0.000 0.287 404 I C -0.507 175.605 176.117 -0.008 0.000 1.008 404 I CA -0.643 60.645 61.300 -0.020 0.000 1.104 404 I CB 2.285 40.333 38.000 0.081 0.000 1.264 404 I HN 0.444 nan 8.210 nan 0.000 0.438 405 T N 5.416 119.940 114.554 -0.049 0.000 2.841 405 T HA 0.559 4.909 4.350 0.001 0.000 0.283 405 T C -0.484 174.229 174.700 0.021 0.000 1.000 405 T CA -0.511 61.565 62.100 -0.041 0.000 0.977 405 T CB 2.189 70.993 68.868 -0.107 0.000 0.979 405 T HN 0.178 nan 8.240 nan 0.000 0.446 406 V N 3.654 123.585 119.914 0.029 0.000 2.444 406 V HA 0.383 4.503 4.120 0.001 0.000 0.294 406 V C -0.193 175.851 176.094 -0.083 0.000 1.022 406 V CA -0.844 61.481 62.300 0.042 0.000 0.850 406 V CB 1.815 33.660 31.823 0.038 0.000 0.992 406 V HN 0.733 nan 8.190 nan 0.000 0.426 407 V N 6.671 126.551 119.914 -0.056 0.000 2.385 407 V HA 0.269 4.390 4.120 0.001 0.000 0.269 407 V C 1.008 176.956 176.094 -0.244 0.000 1.043 407 V CA -0.047 62.186 62.300 -0.112 0.000 0.906 407 V CB 1.109 32.898 31.823 -0.057 0.000 0.995 407 V HN 0.752 nan 8.190 nan 0.000 0.467 408 L N 3.366 124.362 121.223 -0.378 0.000 2.102 408 L HA 0.174 4.514 4.340 0.001 0.000 0.202 408 L C 1.896 178.660 176.870 -0.176 0.000 1.076 408 L CA 1.233 55.735 54.840 -0.564 0.000 0.761 408 L CB -0.089 41.586 42.059 -0.640 0.000 0.921 408 L HN 0.668 nan 8.230 nan 0.000 0.444 409 R N -0.902 119.526 120.500 -0.119 0.000 2.899 409 R HA 0.246 4.587 4.340 0.001 0.000 0.095 409 R C -0.490 175.758 176.300 -0.087 0.000 0.792 409 R CA -0.627 55.443 56.100 -0.050 0.000 0.613 409 R CB 0.536 30.829 30.300 -0.011 0.000 0.531 409 R HN -0.175 nan 8.270 nan 0.000 0.341 410 K N 0.564 120.880 120.400 -0.140 0.000 2.436 410 K HA 0.312 4.632 4.320 0.001 0.000 0.275 410 K C -0.981 175.478 176.600 -0.235 0.000 0.999 410 K CA 0.750 56.870 56.287 -0.277 0.000 0.980 410 K CB 1.212 33.412 32.500 -0.500 0.000 0.919 410 K HN 0.480 nan 8.250 nan 0.000 0.484 411 A N 3.744 126.462 122.820 -0.170 0.000 3.277 411 A HA 0.224 4.545 4.320 0.001 0.000 0.281 411 A C -1.594 176.030 177.584 0.066 0.000 1.179 411 A CA -0.726 51.209 52.037 -0.170 0.000 0.879 411 A CB 0.245 18.921 19.000 -0.540 0.000 1.374 411 A HN 0.470 nan 8.150 nan 0.000 0.590 412 Y N 0.766 121.021 120.300 -0.075 0.000 2.320 412 Y HA 0.555 5.105 4.550 0.000 0.000 0.334 412 Y C 1.446 177.382 175.900 0.060 0.000 1.055 412 Y CA 0.032 58.123 58.100 -0.015 0.000 1.143 412 Y CB 0.812 39.264 38.460 -0.013 0.000 1.193 412 Y HN 1.067 nan 8.280 nan 0.000 0.477 413 G N 2.549 111.478 108.800 0.214 0.000 2.632 413 G HA2 -0.359 3.601 3.960 0.001 0.000 0.322 413 G HA3 -0.359 3.601 3.960 0.001 0.000 0.322 413 G C 1.396 176.426 174.900 0.217 0.000 1.326 413 G CA 0.560 45.770 45.100 0.184 0.000 0.986 413 G HN 1.081 nan 8.290 nan 0.000 0.541 414 G N -0.337 108.596 108.800 0.221 0.000 2.450 414 G HA2 -0.008 3.952 3.960 0.001 0.000 0.220 414 G HA3 -0.008 3.952 3.960 0.001 0.000 0.220 414 G C 2.287 177.365 174.900 0.297 0.000 1.130 414 G CA 2.644 47.908 45.100 0.274 0.000 0.760 414 G HN 1.929 nan 8.290 nan 0.000 0.557 415 S N -0.574 115.202 115.700 0.127 0.000 2.399 415 S HA -0.165 4.305 4.470 0.001 0.000 0.231 415 S C 2.103 176.680 174.600 -0.039 0.000 1.022 415 S CA 1.278 59.307 58.200 -0.286 0.000 0.983 415 S CB -0.641 62.192 63.200 -0.612 0.000 0.803 415 S HN 0.624 nan 8.310 nan 0.000 0.480 416 Y N 2.176 122.443 120.300 -0.056 0.000 2.184 416 Y HA 0.058 4.608 4.550 0.000 0.000 0.290 416 Y C 2.072 177.949 175.900 -0.038 0.000 1.129 416 Y CA 1.230 59.303 58.100 -0.045 0.000 1.144 416 Y CB -0.261 38.197 38.460 -0.002 0.000 0.995 416 Y HN 0.171 nan 8.280 nan 0.000 0.513 417 L N 0.478 121.589 121.223 -0.187 0.000 2.083 417 L HA -0.224 4.117 4.340 0.001 0.000 0.209 417 L C 2.814 179.586 176.870 -0.163 0.000 1.083 417 L CA 1.105 55.766 54.840 -0.299 0.000 0.752 417 L CB -0.939 41.058 42.059 -0.104 0.000 0.899 417 L HN 0.386 nan 8.230 nan 0.000 0.433 418 A N -0.832 121.988 122.820 0.001 0.000 2.121 418 A HA -0.119 4.201 4.320 0.001 0.000 0.218 418 A C 2.005 179.634 177.584 0.075 0.000 1.154 418 A CA 1.106 53.212 52.037 0.117 0.000 0.679 418 A CB -0.244 18.904 19.000 0.247 0.000 0.795 418 A HN 0.299 nan 8.150 nan 0.000 0.458 419 M N -1.611 117.933 119.600 -0.094 0.000 2.530 419 M HA 0.159 4.639 4.480 0.001 0.000 0.231 419 M C 0.485 176.475 176.300 -0.516 0.000 1.180 419 M CA -0.201 54.995 55.300 -0.174 0.000 0.985 419 M CB -1.313 31.245 32.600 -0.069 0.000 1.623 419 M HN 0.547 nan 8.290 nan 0.000 0.475 420 C N 4.080 123.001 119.300 -0.631 0.000 3.106 420 C HA -0.152 4.308 4.460 0.001 0.000 0.292 420 C C 0.476 175.167 174.990 -0.498 0.000 1.009 420 C CA -0.154 58.438 59.018 -0.710 0.000 2.579 420 C CB -2.160 24.802 27.740 -1.296 0.000 1.535 420 C HN 0.837 nan 8.230 nan 0.000 0.470 421 N N 2.709 121.106 118.700 -0.504 0.000 2.476 421 N HA 0.307 5.048 4.740 0.001 0.000 0.287 421 N C 1.144 176.498 175.510 -0.261 0.000 1.262 421 N CA 0.071 52.858 53.050 -0.438 0.000 0.980 421 N CB 0.179 38.224 38.487 -0.736 0.000 1.163 421 N HN 0.742 nan 8.380 nan 0.000 0.592 422 R N -0.689 119.709 120.500 -0.170 0.000 2.127 422 R HA -0.102 4.238 4.340 0.001 0.000 0.238 422 R C 0.499 176.730 176.300 -0.115 0.000 1.134 422 R CA 1.555 57.578 56.100 -0.129 0.000 0.975 422 R CB -0.177 30.072 30.300 -0.086 0.000 0.865 422 R HN 0.581 nan 8.270 nan 0.000 0.447 423 D N 0.239 120.568 120.400 -0.117 0.000 2.219 423 D HA -0.138 4.502 4.640 0.001 0.000 0.205 423 D C 1.097 177.339 176.300 -0.097 0.000 0.970 423 D CA 0.903 54.848 54.000 -0.092 0.000 0.851 423 D CB 0.148 40.899 40.800 -0.082 0.000 0.943 423 D HN 0.210 nan 8.370 nan 0.000 0.488 424 L N -0.444 120.701 121.223 -0.130 0.000 2.653 424 L HA 0.242 4.582 4.340 0.001 0.000 0.232 424 L C 1.375 178.192 176.870 -0.088 0.000 1.169 424 L CA 0.286 55.065 54.840 -0.102 0.000 0.951 424 L CB 0.297 42.287 42.059 -0.114 0.000 1.181 424 L HN 0.089 nan 8.230 nan 0.000 0.460 425 G N -1.180 107.561 108.800 -0.099 0.000 2.141 425 G HA2 -0.207 3.753 3.960 0.001 0.000 0.231 425 G HA3 -0.207 3.753 3.960 0.001 0.000 0.231 425 G C 0.492 175.318 174.900 -0.123 0.000 0.984 425 G CA -0.120 44.926 45.100 -0.090 0.000 0.660 425 G HN 0.585 nan 8.290 nan 0.000 0.525 426 A N 0.203 122.926 122.820 -0.161 0.000 2.520 426 A HA 0.489 4.809 4.320 0.001 0.000 0.245 426 A C 1.260 178.709 177.584 -0.224 0.000 1.072 426 A CA 0.892 52.813 52.037 -0.193 0.000 0.761 426 A CB 0.275 19.149 19.000 -0.209 0.000 1.004 426 A HN 0.283 nan 8.150 nan 0.000 0.499 427 D N 1.069 121.276 120.400 -0.323 0.000 2.234 427 D HA 0.182 4.823 4.640 0.001 0.000 0.205 427 D C 0.648 176.698 176.300 -0.417 0.000 0.962 427 D CA 1.785 55.471 54.000 -0.524 0.000 0.855 427 D CB 0.226 40.349 40.800 -1.130 0.000 0.951 427 D HN 0.691 nan 8.370 nan 0.000 0.500 428 A N 0.477 123.098 122.820 -0.333 0.000 2.459 428 A HA 0.530 4.851 4.320 0.001 0.000 0.296 428 A C -1.091 176.232 177.584 -0.435 0.000 1.039 428 A CA -0.541 51.298 52.037 -0.330 0.000 0.698 428 A CB 1.983 20.866 19.000 -0.194 0.000 1.261 428 A HN -0.094 nan 8.150 nan 0.000 0.405 429 V N 2.468 122.058 119.914 -0.539 0.000 2.531 429 V HA 0.546 4.667 4.120 0.001 0.000 0.301 429 V C -1.303 174.472 176.094 -0.531 0.000 1.034 429 V CA -0.432 61.631 62.300 -0.395 0.000 0.865 429 V CB 1.236 32.957 31.823 -0.169 0.000 0.995 429 V HN 0.812 nan 8.190 nan 0.000 0.424 430 Y N 2.020 122.350 120.300 0.050 0.000 2.446 430 Y HA 0.805 5.355 4.550 0.000 0.000 0.345 430 Y C 0.310 176.258 175.900 0.081 0.000 0.984 430 Y CA -0.873 57.270 58.100 0.072 0.000 1.058 430 Y CB 2.274 40.796 38.460 0.104 0.000 1.220 430 Y HN 0.711 nan 8.280 nan 0.000 0.455 431 A N 2.288 125.251 122.820 0.238 0.000 2.331 431 A HA 0.593 4.913 4.320 0.001 0.000 0.320 431 A C -1.493 176.252 177.584 0.268 0.000 1.138 431 A CA -0.661 51.478 52.037 0.171 0.000 0.790 431 A CB 0.485 19.514 19.000 0.048 0.000 1.206 431 A HN 0.718 nan 8.150 nan 0.000 0.470 432 W N 2.344 123.633 121.300 -0.017 0.000 2.093 432 W HA 0.405 5.065 4.660 0.000 0.000 0.352 432 W C -1.871 174.609 176.519 -0.065 0.000 1.294 432 W CA -1.340 55.983 57.345 -0.037 0.000 1.290 432 W CB 0.013 29.451 29.460 -0.037 0.000 1.149 432 W HN 0.506 nan 8.180 nan 0.000 0.606 433 P HA -0.121 nan 4.420 nan 0.000 0.230 433 P C 0.959 178.302 177.300 0.072 0.000 1.158 433 P CA 1.625 64.739 63.100 0.024 0.000 0.769 433 P CB 0.114 31.814 31.700 -0.001 0.000 0.807 434 S N -2.153 113.631 115.700 0.140 0.000 2.577 434 S HA 0.389 4.859 4.470 0.001 0.000 0.219 434 S C 0.985 175.638 174.600 0.088 0.000 0.962 434 S CA -0.471 57.800 58.200 0.118 0.000 0.921 434 S CB -0.532 62.756 63.200 0.146 0.000 0.789 434 S HN 0.064 nan 8.310 nan 0.000 0.497 435 A N 1.740 124.610 122.820 0.082 0.000 2.477 435 A HA 0.370 4.690 4.320 0.001 0.000 0.246 435 A C 0.322 177.911 177.584 0.009 0.000 1.078 435 A CA -0.161 51.888 52.037 0.020 0.000 0.770 435 A CB 0.079 19.084 19.000 0.008 0.000 1.011 435 A HN 0.513 nan 8.150 nan 0.000 0.494 436 E N 2.478 122.675 120.200 -0.004 0.000 3.568 436 E HA 0.251 4.601 4.350 0.001 0.000 0.213 436 E C -1.063 175.560 176.600 0.037 0.000 1.197 436 E CA -0.063 56.374 56.400 0.062 0.000 1.126 436 E CB 0.662 30.460 29.700 0.163 0.000 1.285 436 E HN 0.684 nan 8.360 nan 0.000 0.418 437 I N 2.146 122.656 120.570 -0.100 0.000 2.533 437 I HA 0.280 4.450 4.170 0.001 0.000 0.284 437 I C 0.285 176.336 176.117 -0.110 0.000 1.109 437 I CA 0.241 61.382 61.300 -0.265 0.000 1.412 437 I CB 0.746 38.535 38.000 -0.352 0.000 1.396 437 I HN 0.318 nan 8.210 nan 0.000 0.543 438 A N 5.017 127.779 122.820 -0.097 0.000 2.604 438 A HA 0.386 4.706 4.320 0.001 0.000 0.295 438 A C 0.091 177.610 177.584 -0.108 0.000 1.067 438 A CA -0.495 51.470 52.037 -0.120 0.000 0.683 438 A CB 1.369 20.228 19.000 -0.235 0.000 1.281 438 A HN 0.438 nan 8.150 nan 0.000 0.407 439 V N 1.234 121.084 119.914 -0.106 0.000 2.548 439 V HA 0.180 4.300 4.120 0.001 0.000 0.249 439 V C 0.602 176.646 176.094 -0.082 0.000 1.055 439 V CA 2.791 65.055 62.300 -0.061 0.000 1.065 439 V CB -0.755 31.020 31.823 -0.080 0.000 0.681 439 V HN 1.068 nan 8.190 nan 0.000 0.462 440 M N -2.527 116.955 119.600 -0.197 0.000 2.895 440 M HA 0.532 5.013 4.480 0.001 0.000 0.271 440 M C -0.135 175.853 176.300 -0.519 0.000 1.174 440 M CA -0.229 54.896 55.300 -0.291 0.000 0.816 440 M CB 0.969 33.489 32.600 -0.135 0.000 1.647 440 M HN -0.026 nan 8.290 nan 0.000 0.506 441 G N 0.474 108.959 108.800 -0.526 0.000 2.484 441 G HA2 0.420 4.380 3.960 0.001 0.000 0.235 441 G HA3 0.420 4.380 3.960 0.001 0.000 0.235 441 G C 0.819 175.621 174.900 -0.165 0.000 1.282 441 G CA 0.035 44.918 45.100 -0.361 0.000 0.857 441 G HN 1.087 nan 8.290 nan 0.000 0.571 442 A N 1.261 124.063 122.820 -0.030 0.000 1.940 442 A HA -0.112 4.208 4.320 0.001 0.000 0.219 442 A C 2.078 179.613 177.584 -0.081 0.000 1.176 442 A CA 2.086 54.134 52.037 0.018 0.000 0.631 442 A CB -0.438 18.683 19.000 0.202 0.000 0.814 442 A HN 0.838 nan 8.150 nan 0.000 0.446 443 E N -0.499 119.686 120.200 -0.026 0.000 2.031 443 E HA -0.119 4.232 4.350 0.001 0.000 0.193 443 E C 2.088 178.653 176.600 -0.058 0.000 0.994 443 E CA 1.307 57.694 56.400 -0.022 0.000 0.800 443 E CB -0.559 29.145 29.700 0.008 0.000 0.752 443 E HN 0.453 nan 8.360 nan 0.000 0.447 444 G N 0.484 109.241 108.800 -0.071 0.000 2.440 444 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 444 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 444 G C 1.664 176.478 174.900 -0.142 0.000 1.154 444 G CA 1.039 46.091 45.100 -0.081 0.000 0.767 444 G HN 0.447 nan 8.290 nan 0.000 0.552 445 A N 1.257 123.916 122.820 -0.268 0.000 1.877 445 A HA 0.234 4.554 4.320 0.001 0.000 0.216 445 A C 2.841 180.231 177.584 -0.323 0.000 1.186 445 A CA 2.401 54.164 52.037 -0.455 0.000 0.620 445 A CB -0.891 17.430 19.000 -1.131 0.000 0.822 445 A HN 0.834 nan 8.150 nan 0.000 0.443 446 A N 0.004 122.703 122.820 -0.201 0.000 1.933 446 A HA -0.190 4.130 4.320 0.001 0.000 0.218 446 A C 1.902 179.552 177.584 0.108 0.000 1.175 446 A CA 1.669 53.766 52.037 0.100 0.000 0.628 446 A CB -0.656 18.414 19.000 0.117 0.000 0.814 446 A HN 0.546 nan 8.150 nan 0.000 0.444 447 N N 0.017 118.725 118.700 0.013 0.000 2.272 447 N HA -0.116 4.624 4.740 0.001 0.000 0.185 447 N C 1.624 177.134 175.510 0.001 0.000 1.014 447 N CA 1.598 54.658 53.050 0.016 0.000 0.870 447 N CB -0.201 38.282 38.487 -0.007 0.000 0.975 447 N HN 0.349 nan 8.380 nan 0.000 0.433 448 V N 1.147 121.037 119.914 -0.040 0.000 2.326 448 V HA -0.016 4.104 4.120 0.001 0.000 0.238 448 V C 2.324 178.365 176.094 -0.088 0.000 1.038 448 V CA 0.651 62.916 62.300 -0.058 0.000 1.032 448 V CB -0.294 31.482 31.823 -0.078 0.000 0.675 448 V HN 0.102 nan 8.190 nan 0.000 0.467 449 I N -0.349 120.127 120.570 -0.156 0.000 2.151 449 I HA -0.261 3.910 4.170 0.001 0.000 0.243 449 I C 1.455 177.297 176.117 -0.458 0.000 1.080 449 I CA 2.092 63.180 61.300 -0.354 0.000 1.339 449 I CB -0.212 37.456 38.000 -0.554 0.000 1.039 449 I HN 0.269 nan 8.210 nan 0.000 0.409 450 F N 0.225 120.169 119.950 -0.009 0.000 2.837 450 F HA 0.278 4.806 4.527 0.001 0.000 0.298 450 F C 1.781 177.578 175.800 -0.006 0.000 1.161 450 F CA -0.371 57.629 58.000 -0.001 0.000 1.353 450 F CB -0.272 38.731 39.000 0.004 0.000 0.951 450 F HN -0.181 nan 8.300 nan 0.000 0.508 451 R N 0.505 121.062 120.500 0.094 0.000 2.115 451 R HA -0.185 4.155 4.340 0.001 0.000 0.239 451 R C 2.070 178.409 176.300 0.065 0.000 1.133 451 R CA 1.521 57.657 56.100 0.060 0.000 0.935 451 R CB -0.156 30.156 30.300 0.020 0.000 0.853 451 R HN 0.153 nan 8.270 nan 0.000 0.433 452 K N 1.046 121.481 120.400 0.059 0.000 1.991 452 K HA -0.176 4.144 4.320 0.001 0.000 0.212 452 K C 1.995 178.636 176.600 0.068 0.000 1.049 452 K CA 1.687 58.006 56.287 0.053 0.000 0.932 452 K CB -0.537 31.989 32.500 0.043 0.000 0.717 452 K HN 0.387 nan 8.250 nan 0.000 0.441 453 E N 0.570 120.835 120.200 0.109 0.000 2.118 453 E HA -0.134 4.216 4.350 0.001 0.000 0.195 453 E C 2.223 178.861 176.600 0.064 0.000 0.992 453 E CA 0.939 57.398 56.400 0.098 0.000 0.804 453 E CB -0.222 29.571 29.700 0.155 0.000 0.741 453 E HN 0.259 nan 8.360 nan 0.000 0.458 454 I N 1.024 121.640 120.570 0.077 0.000 2.202 454 I HA -0.266 3.904 4.170 0.001 0.000 0.242 454 I C 2.616 178.750 176.117 0.029 0.000 1.091 454 I CA 1.094 62.420 61.300 0.042 0.000 1.368 454 I CB -0.205 37.827 38.000 0.053 0.000 1.058 454 I HN 0.023 nan 8.210 nan 0.000 0.410 455 K N 1.238 121.658 120.400 0.033 0.000 2.097 455 K HA -0.157 4.164 4.320 0.001 0.000 0.206 455 K C 1.994 178.605 176.600 0.018 0.000 1.049 455 K CA 1.508 57.808 56.287 0.022 0.000 0.933 455 K CB -0.050 32.463 32.500 0.022 0.000 0.717 455 K HN 0.308 nan 8.250 nan 0.000 0.442 456 A N 0.603 123.436 122.820 0.022 0.000 2.169 456 A HA 0.262 4.582 4.320 0.001 0.000 0.212 456 A C 0.822 178.413 177.584 0.012 0.000 1.153 456 A CA 0.540 52.587 52.037 0.017 0.000 0.756 456 A CB -0.257 18.755 19.000 0.020 0.000 0.813 456 A HN 0.387 nan 8.150 nan 0.000 0.471 457 A N 0.031 122.856 122.820 0.010 0.000 2.425 457 A HA 0.286 4.607 4.320 0.001 0.000 0.242 457 A C 0.804 178.388 177.584 0.000 0.000 1.077 457 A CA 0.098 52.136 52.037 0.002 0.000 0.781 457 A CB 0.179 19.176 19.000 -0.004 0.000 1.020 457 A HN 0.309 nan 8.150 nan 0.000 0.494 458 D N -0.244 120.154 120.400 -0.002 0.000 2.182 458 D HA -0.090 4.550 4.640 0.001 0.000 0.201 458 D C -0.139 176.159 176.300 -0.003 0.000 0.986 458 D CA 1.801 55.799 54.000 -0.002 0.000 0.847 458 D CB 0.228 41.026 40.800 -0.004 0.000 0.942 458 D HN 0.625 nan 8.370 nan 0.000 0.467 459 D N -1.481 118.916 120.400 -0.006 0.000 2.346 459 D HA 0.175 4.815 4.640 0.001 0.000 0.255 459 D C -2.079 174.217 176.300 -0.008 0.000 1.276 459 D CA -2.035 51.961 54.000 -0.006 0.000 0.941 459 D CB 1.695 42.490 40.800 -0.008 0.000 1.199 459 D HN -0.230 nan 8.370 nan 0.000 0.537 460 P HA -0.137 nan 4.420 nan 0.000 0.217 460 P C 0.725 178.021 177.300 -0.007 0.000 1.151 460 P CA 0.985 64.083 63.100 -0.002 0.000 0.849 460 P CB 0.438 32.139 31.700 0.003 0.000 0.787 461 D N -1.101 119.295 120.400 -0.006 0.000 2.097 461 D HA -0.118 4.522 4.640 0.001 0.000 0.195 461 D C 2.022 178.314 176.300 -0.014 0.000 0.989 461 D CA 1.640 55.635 54.000 -0.007 0.000 0.827 461 D CB -0.831 39.967 40.800 -0.005 0.000 0.966 461 D HN 0.059 nan 8.370 nan 0.000 0.456 462 A N 0.321 123.131 122.820 -0.016 0.000 1.930 462 A HA -0.123 4.198 4.320 0.001 0.000 0.217 462 A C 2.097 179.659 177.584 -0.036 0.000 1.175 462 A CA 1.495 53.518 52.037 -0.022 0.000 0.627 462 A CB -0.472 18.517 19.000 -0.020 0.000 0.815 462 A HN 0.164 nan 8.150 nan 0.000 0.443 463 M N -0.058 119.519 119.600 -0.039 0.000 2.117 463 M HA -0.098 4.383 4.480 0.001 0.000 0.262 463 M C 2.065 178.315 176.300 -0.084 0.000 1.065 463 M CA 1.896 57.158 55.300 -0.062 0.000 1.114 463 M CB -0.563 32.009 32.600 -0.046 0.000 1.361 463 M HN 0.450 nan 8.290 nan 0.000 0.408 464 R N -0.464 120.006 120.500 -0.050 0.000 2.081 464 R HA -0.122 4.219 4.340 0.001 0.000 0.235 464 R C 2.025 178.297 176.300 -0.048 0.000 1.131 464 R CA 1.667 57.742 56.100 -0.042 0.000 0.960 464 R CB -0.528 29.765 30.300 -0.012 0.000 0.856 464 R HN 0.486 nan 8.270 nan 0.000 0.436 465 A N 1.537 124.336 122.820 -0.036 0.000 1.940 465 A HA -0.243 4.078 4.320 0.001 0.000 0.219 465 A C 1.930 179.489 177.584 -0.041 0.000 1.176 465 A CA 1.896 53.917 52.037 -0.026 0.000 0.631 465 A CB -0.555 18.434 19.000 -0.018 0.000 0.814 465 A HN 0.737 nan 8.150 nan 0.000 0.446 466 E N -0.961 119.196 120.200 -0.072 0.000 2.216 466 E HA -0.129 4.221 4.350 0.001 0.000 0.192 466 E C 1.564 178.079 176.600 -0.141 0.000 0.988 466 E CA 0.883 57.229 56.400 -0.091 0.000 0.834 466 E CB -0.069 29.571 29.700 -0.099 0.000 0.772 466 E HN 0.280 nan 8.360 nan 0.000 0.479 467 K N 0.949 121.223 120.400 -0.210 0.000 2.103 467 K HA 0.036 4.356 4.320 0.001 0.000 0.204 467 K C 2.120 178.689 176.600 -0.052 0.000 1.052 467 K CA 0.742 56.828 56.287 -0.334 0.000 0.945 467 K CB -0.248 31.933 32.500 -0.532 0.000 0.722 467 K HN 0.299 nan 8.250 nan 0.000 0.443 468 I N 1.095 121.662 120.570 -0.006 0.000 2.179 468 I HA -0.296 3.874 4.170 0.001 0.000 0.242 468 I C 2.514 178.693 176.117 0.103 0.000 1.088 468 I CA 1.404 62.745 61.300 0.069 0.000 1.357 468 I CB -0.197 37.826 38.000 0.038 0.000 1.051 468 I HN 0.172 nan 8.210 nan 0.000 0.409 469 E N 1.362 121.588 120.200 0.045 0.000 2.077 469 E HA -0.303 4.047 4.350 0.001 0.000 0.193 469 E C 1.990 178.617 176.600 0.045 0.000 0.989 469 E CA 1.807 58.231 56.400 0.040 0.000 0.800 469 E CB -0.166 29.538 29.700 0.007 0.000 0.746 469 E HN 0.482 nan 8.360 nan 0.000 0.452 470 E N -1.275 118.943 120.200 0.029 0.000 2.077 470 E HA -0.252 4.098 4.350 0.001 0.000 0.193 470 E C 1.947 178.600 176.600 0.090 0.000 0.989 470 E CA 1.194 57.611 56.400 0.028 0.000 0.800 470 E CB -0.399 29.292 29.700 -0.015 0.000 0.746 470 E HN 0.486 nan 8.360 nan 0.000 0.452 471 Y N 0.936 121.276 120.300 0.067 0.000 2.163 471 Y HA -0.180 4.370 4.550 0.001 0.000 0.288 471 Y C 2.447 178.413 175.900 0.111 0.000 1.136 471 Y CA 1.700 59.881 58.100 0.134 0.000 1.147 471 Y CB -0.023 38.553 38.460 0.193 0.000 0.987 471 Y HN 0.055 nan 8.280 nan 0.000 0.509 472 Q N 0.477 120.400 119.800 0.205 0.000 2.077 472 Q HA -0.220 4.121 4.340 0.001 0.000 0.206 472 Q C 1.794 177.813 176.000 0.030 0.000 0.989 472 Q CA 1.763 57.641 55.803 0.124 0.000 0.853 472 Q CB -0.507 28.304 28.738 0.123 0.000 0.907 472 Q HN 0.567 nan 8.270 nan 0.000 0.418 473 N N -0.076 118.626 118.700 0.003 0.000 2.331 473 N HA -0.061 4.680 4.740 0.001 0.000 0.180 473 N C 1.475 176.924 175.510 -0.102 0.000 1.019 473 N CA 1.005 54.039 53.050 -0.027 0.000 0.881 473 N CB -0.057 38.415 38.487 -0.024 0.000 0.972 473 N HN 0.206 nan 8.380 nan 0.000 0.435 474 A N -0.551 122.141 122.820 -0.214 0.000 1.970 474 A HA 0.084 4.404 4.320 0.001 0.000 0.216 474 A C 1.331 178.575 177.584 -0.566 0.000 1.170 474 A CA 0.914 52.684 52.037 -0.445 0.000 0.645 474 A CB -0.111 18.500 19.000 -0.648 0.000 0.816 474 A HN 0.162 nan 8.150 nan 0.000 0.447 475 F N -1.326 118.480 119.950 -0.241 0.000 2.729 475 F HA 0.198 4.725 4.527 0.000 0.000 0.304 475 F C 0.844 176.561 175.800 -0.137 0.000 1.008 475 F CA -0.085 57.777 58.000 -0.231 0.000 1.188 475 F CB 0.021 38.767 39.000 -0.423 0.000 0.980 475 F HN 0.071 nan 8.300 nan 0.000 0.627 476 N N 0.310 119.061 118.700 0.086 0.000 2.313 476 N HA 0.054 4.795 4.740 0.001 0.000 0.207 476 N C 0.307 175.858 175.510 0.069 0.000 1.141 476 N CA 0.351 53.444 53.050 0.072 0.000 0.830 476 N CB -0.309 38.229 38.487 0.084 0.000 1.008 476 N HN 0.226 nan 8.380 nan 0.000 0.481 477 T N -3.238 111.361 114.554 0.074 0.000 2.929 477 T HA 0.395 4.745 4.350 0.001 0.000 0.284 477 T C -1.884 172.847 174.700 0.051 0.000 1.014 477 T CA -1.961 60.194 62.100 0.092 0.000 1.051 477 T CB 2.506 71.470 68.868 0.161 0.000 1.028 477 T HN -0.273 nan 8.240 nan 0.000 0.485 478 P HA -0.062 nan 4.420 nan 0.000 0.218 478 P C 0.753 177.938 177.300 -0.193 0.000 1.148 478 P CA 1.167 64.177 63.100 -0.150 0.000 0.822 478 P CB -0.205 31.328 31.700 -0.278 0.000 0.784 479 Y N -1.253 119.065 120.300 0.030 0.000 2.274 479 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 479 Y C 2.315 178.228 175.900 0.022 0.000 1.145 479 Y CA 0.725 58.840 58.100 0.024 0.000 1.203 479 Y CB -1.223 37.244 38.460 0.012 0.000 0.984 479 Y HN -0.216 nan 8.280 nan 0.000 0.533 480 V N -0.542 119.459 119.914 0.146 0.000 2.453 480 V HA -0.240 3.880 4.120 0.001 0.000 0.247 480 V C 2.465 178.608 176.094 0.081 0.000 1.048 480 V CA 1.402 63.763 62.300 0.101 0.000 1.049 480 V CB -1.183 30.694 31.823 0.090 0.000 0.672 480 V HN 0.439 nan 8.190 nan 0.000 0.457 481 A N 0.351 123.203 122.820 0.053 0.000 1.902 481 A HA -0.142 4.179 4.320 0.001 0.000 0.217 481 A C 2.416 180.021 177.584 0.035 0.000 1.181 481 A CA 2.177 54.236 52.037 0.036 0.000 0.623 481 A CB -0.772 18.229 19.000 0.002 0.000 0.818 481 A HN 0.557 nan 8.150 nan 0.000 0.443 482 A N -0.288 122.546 122.820 0.024 0.000 1.930 482 A HA 0.213 4.533 4.320 0.001 0.000 0.217 482 A C 2.477 180.092 177.584 0.052 0.000 1.175 482 A CA 1.884 53.938 52.037 0.030 0.000 0.627 482 A CB -0.946 18.063 19.000 0.014 0.000 0.815 482 A HN 1.065 nan 8.150 nan 0.000 0.443 483 A N -0.478 122.384 122.820 0.069 0.000 1.940 483 A HA -0.150 4.171 4.320 0.001 0.000 0.219 483 A C 2.057 179.674 177.584 0.054 0.000 1.176 483 A CA 1.397 53.474 52.037 0.066 0.000 0.631 483 A CB -0.358 18.684 19.000 0.071 0.000 0.814 483 A HN 0.344 nan 8.150 nan 0.000 0.446 484 R N -1.209 119.325 120.500 0.056 0.000 2.313 484 R HA 0.103 4.443 4.340 0.001 0.000 0.199 484 R C 1.338 177.661 176.300 0.038 0.000 0.958 484 R CA 0.701 56.831 56.100 0.051 0.000 1.047 484 R CB -0.809 29.527 30.300 0.061 0.000 0.955 484 R HN 0.867 nan 8.270 nan 0.000 0.481 485 G N 1.145 109.966 108.800 0.035 0.000 2.143 485 G HA2 -0.337 3.623 3.960 0.001 0.000 0.248 485 G HA3 -0.337 3.623 3.960 0.001 0.000 0.248 485 G C 0.769 175.679 174.900 0.017 0.000 0.991 485 G CA 0.551 45.666 45.100 0.024 0.000 0.689 485 G HN 0.400 nan 8.290 nan 0.000 0.522 486 Q N -0.898 118.919 119.800 0.028 0.000 2.378 486 Q HA 0.258 4.598 4.340 0.001 0.000 0.205 486 Q C 1.325 177.339 176.000 0.023 0.000 0.954 486 Q CA 1.353 57.178 55.803 0.037 0.000 0.901 486 Q CB 0.342 29.123 28.738 0.072 0.000 0.981 486 Q HN 1.068 nan 8.270 nan 0.000 0.483 487 V N -3.422 116.495 119.914 0.006 0.000 2.914 487 V HA 0.303 4.423 4.120 0.001 0.000 0.314 487 V C -0.324 175.751 176.094 -0.031 0.000 1.084 487 V CA -0.841 61.445 62.300 -0.023 0.000 0.963 487 V CB 2.018 33.842 31.823 0.002 0.000 1.025 487 V HN -0.182 nan 8.190 nan 0.000 0.432 488 D N 0.963 121.310 120.400 -0.088 0.000 2.183 488 D HA 0.152 4.793 4.640 0.001 0.000 0.203 488 D C 0.255 176.595 176.300 0.068 0.000 0.969 488 D CA 2.008 55.987 54.000 -0.035 0.000 0.842 488 D CB 0.199 40.929 40.800 -0.116 0.000 0.957 488 D HN 0.867 nan 8.370 nan 0.000 0.484 489 D N -2.004 118.466 120.400 0.118 0.000 2.710 489 D HA 0.185 4.825 4.640 0.001 0.000 0.276 489 D C -1.665 174.710 176.300 0.125 0.000 1.267 489 D CA -0.623 53.464 54.000 0.145 0.000 0.772 489 D CB 1.485 42.421 40.800 0.226 0.000 1.299 489 D HN -0.303 nan 8.370 nan 0.000 0.421 490 V N 2.278 122.217 119.914 0.041 0.000 2.435 490 V HA 0.597 4.717 4.120 0.001 0.000 0.290 490 V C 0.329 176.428 176.094 0.008 0.000 1.030 490 V CA -0.612 61.672 62.300 -0.027 0.000 0.881 490 V CB 0.984 32.668 31.823 -0.232 0.000 0.983 490 V HN 0.496 nan 8.190 nan 0.000 0.445 491 I N 0.160 120.744 120.570 0.023 0.000 2.846 491 I HA 0.697 4.867 4.170 0.001 0.000 0.307 491 I C -0.587 175.438 176.117 -0.155 0.000 1.053 491 I CA -0.859 60.417 61.300 -0.041 0.000 1.050 491 I CB 2.123 40.102 38.000 -0.035 0.000 1.239 491 I HN 0.455 nan 8.210 nan 0.000 0.439 492 D N 4.346 124.634 120.400 -0.186 0.000 2.348 492 D HA 0.262 4.902 4.640 0.001 0.000 0.253 492 D C -1.842 174.183 176.300 -0.459 0.000 1.161 492 D CA -2.177 51.660 54.000 -0.272 0.000 0.876 492 D CB 1.690 42.379 40.800 -0.186 0.000 1.160 492 D HN 0.303 nan 8.370 nan 0.000 0.459 493 P HA -0.136 nan 4.420 nan 0.000 0.217 493 P C 0.883 177.820 177.300 -0.604 0.000 1.148 493 P CA 1.572 63.859 63.100 -1.355 0.000 0.828 493 P CB 0.134 30.679 31.700 -1.926 0.000 0.783 494 A N -0.406 122.177 122.820 -0.394 0.000 2.070 494 A HA -0.173 4.147 4.320 0.001 0.000 0.220 494 A C 1.568 179.064 177.584 -0.146 0.000 1.159 494 A CA 1.641 53.550 52.037 -0.214 0.000 0.656 494 A CB -0.968 17.931 19.000 -0.168 0.000 0.800 494 A HN 0.117 nan 8.150 nan 0.000 0.453 495 D N -1.032 119.270 120.400 -0.163 0.000 2.342 495 D HA 0.057 4.697 4.640 0.001 0.000 0.221 495 D C 1.237 177.486 176.300 -0.084 0.000 1.101 495 D CA 0.543 54.474 54.000 -0.114 0.000 0.837 495 D CB -0.019 40.706 40.800 -0.126 0.000 0.938 495 D HN 0.318 nan 8.370 nan 0.000 0.508 496 T N 0.560 115.099 114.554 -0.026 0.000 2.720 496 T HA -0.200 4.150 4.350 0.001 0.000 0.268 496 T C 1.959 176.682 174.700 0.039 0.000 1.037 496 T CA 0.978 63.129 62.100 0.083 0.000 1.144 496 T CB 0.175 69.226 68.868 0.304 0.000 0.864 496 T HN 0.214 nan 8.240 nan 0.000 0.444 497 R N 0.909 121.424 120.500 0.025 0.000 2.073 497 R HA -0.063 4.277 4.340 0.001 0.000 0.234 497 R C 2.629 178.922 176.300 -0.011 0.000 1.134 497 R CA 1.543 57.651 56.100 0.013 0.000 0.952 497 R CB -0.174 30.125 30.300 -0.001 0.000 0.850 497 R HN 0.284 nan 8.270 nan 0.000 0.433 498 R N 0.417 120.896 120.500 -0.035 0.000 2.081 498 R HA -0.122 4.219 4.340 0.001 0.000 0.235 498 R C 1.896 178.157 176.300 -0.065 0.000 1.131 498 R CA 1.599 57.672 56.100 -0.044 0.000 0.960 498 R CB 0.008 30.275 30.300 -0.054 0.000 0.856 498 R HN 0.063 nan 8.270 nan 0.000 0.436 499 K N 0.579 120.899 120.400 -0.133 0.000 2.057 499 K HA -0.127 4.193 4.320 0.001 0.000 0.207 499 K C 2.108 178.636 176.600 -0.121 0.000 1.049 499 K CA 1.445 57.565 56.287 -0.278 0.000 0.931 499 K CB -0.306 31.828 32.500 -0.610 0.000 0.714 499 K HN 0.344 nan 8.250 nan 0.000 0.440 500 I N 0.868 121.427 120.570 -0.018 0.000 2.252 500 I HA -0.229 3.941 4.170 0.001 0.000 0.245 500 I C 2.455 178.630 176.117 0.098 0.000 1.102 500 I CA 1.019 62.378 61.300 0.098 0.000 1.385 500 I CB -0.382 37.676 38.000 0.097 0.000 1.064 500 I HN 0.033 nan 8.210 nan 0.000 0.414 501 A N 0.934 123.786 122.820 0.054 0.000 1.908 501 A HA -0.244 4.076 4.320 0.001 0.000 0.218 501 A C 2.517 180.144 177.584 0.072 0.000 1.181 501 A CA 2.415 54.484 52.037 0.053 0.000 0.627 501 A CB -0.902 18.111 19.000 0.022 0.000 0.818 501 A HN 0.531 nan 8.150 nan 0.000 0.445 502 S N 0.068 115.804 115.700 0.059 0.000 2.383 502 S HA 0.090 4.561 4.470 0.001 0.000 0.227 502 S C 2.102 176.779 174.600 0.128 0.000 1.026 502 S CA 1.229 59.471 58.200 0.071 0.000 0.981 502 S CB -0.674 62.552 63.200 0.043 0.000 0.818 502 S HN 0.887 nan 8.310 nan 0.000 0.472 503 A N 2.111 125.049 122.820 0.196 0.000 1.902 503 A HA 0.160 4.480 4.320 0.001 0.000 0.217 503 A C 2.309 180.090 177.584 0.328 0.000 1.181 503 A CA 1.325 53.559 52.037 0.329 0.000 0.623 503 A CB -0.875 18.374 19.000 0.416 0.000 0.818 503 A HN 0.525 nan 8.150 nan 0.000 0.443 504 L N -0.836 120.524 121.223 0.228 0.000 2.083 504 L HA -0.196 4.144 4.340 0.001 0.000 0.209 504 L C 2.665 179.645 176.870 0.184 0.000 1.083 504 L CA 1.710 56.674 54.840 0.207 0.000 0.752 504 L CB -0.403 41.745 42.059 0.149 0.000 0.899 504 L HN 0.493 nan 8.230 nan 0.000 0.433 505 E N 0.589 120.872 120.200 0.139 0.000 2.047 505 E HA -0.219 4.131 4.350 0.001 0.000 0.191 505 E C 2.225 178.854 176.600 0.049 0.000 0.987 505 E CA 1.555 58.017 56.400 0.103 0.000 0.799 505 E CB -0.185 29.564 29.700 0.080 0.000 0.752 505 E HN 0.296 nan 8.360 nan 0.000 0.449 506 M N -0.841 118.760 119.600 0.002 0.000 2.108 506 M HA -0.179 4.301 4.480 0.001 0.000 0.261 506 M C 1.184 177.269 176.300 -0.358 0.000 1.066 506 M CA 1.528 56.712 55.300 -0.193 0.000 1.107 506 M CB -0.276 32.154 32.600 -0.283 0.000 1.356 506 M HN 0.156 nan 8.290 nan 0.000 0.406 507 Y N -0.766 119.579 120.300 0.074 0.000 2.468 507 Y HA 0.316 4.867 4.550 0.000 0.000 0.268 507 Y C 2.048 177.992 175.900 0.073 0.000 1.177 507 Y CA 0.054 58.194 58.100 0.067 0.000 1.265 507 Y CB -0.675 37.824 38.460 0.065 0.000 1.103 507 Y HN 0.163 nan 8.280 nan 0.000 0.522 508 A N -0.190 122.717 122.820 0.145 0.000 2.178 508 A HA -0.139 4.181 4.320 0.001 0.000 0.218 508 A C 1.891 179.538 177.584 0.104 0.000 1.157 508 A CA 1.892 54.015 52.037 0.142 0.000 0.689 508 A CB -0.819 18.264 19.000 0.138 0.000 0.787 508 A HN 0.381 nan 8.150 nan 0.000 0.465 509 T N -3.033 111.565 114.554 0.074 0.000 3.174 509 T HA 0.268 4.618 4.350 0.001 0.000 0.269 509 T C 0.356 175.098 174.700 0.071 0.000 1.017 509 T CA -0.276 61.856 62.100 0.055 0.000 0.899 509 T CB -0.277 68.603 68.868 0.021 0.000 1.077 509 T HN 0.391 nan 8.240 nan 0.000 0.552 510 K N 1.889 122.362 120.400 0.122 0.000 2.451 510 K HA 0.213 4.534 4.320 0.001 0.000 0.280 510 K C -0.810 175.847 176.600 0.094 0.000 1.020 510 K CA -0.157 56.219 56.287 0.148 0.000 1.008 510 K CB 0.389 33.028 32.500 0.230 0.000 0.917 510 K HN 0.136 nan 8.250 nan 0.000 0.478 511 R N 3.104 123.649 120.500 0.075 0.000 2.476 511 R HA 0.223 4.563 4.340 0.001 0.000 0.305 511 R C -1.270 175.055 176.300 0.042 0.000 0.965 511 R CA -0.557 55.572 56.100 0.048 0.000 0.867 511 R CB 1.885 32.207 30.300 0.036 0.000 1.176 511 R HN 0.645 nan 8.270 nan 0.000 0.447 512 Q N 1.506 121.324 119.800 0.030 0.000 2.315 512 Q HA 0.549 4.889 4.340 0.001 0.000 0.273 512 Q C -1.111 174.892 176.000 0.006 0.000 1.053 512 Q CA -0.636 55.178 55.803 0.019 0.000 0.817 512 Q CB 2.122 30.871 28.738 0.018 0.000 1.326 512 Q HN 0.750 nan 8.270 nan 0.000 0.423 513 T N 0.260 114.814 114.554 0.001 0.000 2.927 513 T HA 0.741 5.092 4.350 0.001 0.000 0.286 513 T C -0.398 174.294 174.700 -0.012 0.000 1.040 513 T CA -0.970 61.127 62.100 -0.006 0.000 1.010 513 T CB 1.635 70.501 68.868 -0.004 0.000 1.177 513 T HN 0.510 nan 8.240 nan 0.000 0.546 514 R N 0.308 120.799 120.500 -0.015 0.000 2.854 514 R HA 0.573 4.913 4.340 0.001 0.000 0.271 514 R C -2.730 173.560 176.300 -0.016 0.000 0.994 514 R CA -1.835 54.253 56.100 -0.020 0.000 0.945 514 R CB 0.706 30.992 30.300 -0.023 0.000 1.194 514 R HN 0.568 nan 8.270 nan 0.000 0.476 515 P HA 0.057 nan 4.420 nan 0.000 0.266 515 P C -0.810 176.481 177.300 -0.014 0.000 1.195 515 P CA -0.022 63.069 63.100 -0.016 0.000 0.768 515 P CB 0.424 32.113 31.700 -0.018 0.000 0.838 516 A N 3.338 126.149 122.820 -0.014 0.000 2.520 516 A HA 0.424 4.744 4.320 0.001 0.000 0.245 516 A C 0.373 177.944 177.584 -0.023 0.000 1.072 516 A CA 0.425 52.453 52.037 -0.016 0.000 0.761 516 A CB -0.446 18.545 19.000 -0.015 0.000 1.004 516 A HN 0.662 nan 8.150 nan 0.000 0.499 517 K N 1.362 121.746 120.400 -0.028 0.000 2.660 517 K HA 0.313 4.633 4.320 0.001 0.000 0.285 517 K C -0.349 176.211 176.600 -0.067 0.000 0.997 517 K CA -0.887 55.369 56.287 -0.052 0.000 0.861 517 K CB 0.926 33.401 32.500 -0.040 0.000 1.469 517 K HN 0.292 nan 8.250 nan 0.000 0.395 518 K N 0.096 120.408 120.400 -0.146 0.000 2.057 518 K HA -0.105 4.215 4.320 0.001 0.000 0.207 518 K C -0.058 176.504 176.600 -0.062 0.000 1.049 518 K CA 2.091 58.291 56.287 -0.145 0.000 0.931 518 K CB -0.328 32.002 32.500 -0.283 0.000 0.714 518 K HN 0.832 nan 8.250 nan 0.000 0.440 519 H N -4.328 114.759 119.070 0.029 0.000 2.951 519 H HA 0.376 4.933 4.556 0.001 0.000 0.292 519 H C -0.332 175.051 175.328 0.093 0.000 1.412 519 H CA -0.690 55.389 56.048 0.052 0.000 1.206 519 H CB 0.261 30.042 29.762 0.032 0.000 1.862 519 H HN 0.050 nan 8.280 nan 0.000 0.502 520 G N -0.427 108.591 108.800 0.363 0.000 2.535 520 G HA2 0.298 4.258 3.960 0.001 0.000 0.282 520 G HA3 0.298 4.258 3.960 0.001 0.000 0.282 520 G C -0.599 174.549 174.900 0.414 0.000 1.350 520 G CA -0.946 44.387 45.100 0.388 0.000 1.039 520 G HN 0.679 nan 8.290 nan 0.000 0.509 521 N N 0.051 118.938 118.700 0.313 0.000 2.936 521 N HA 0.159 4.899 4.740 0.001 0.000 0.243 521 N C -0.986 174.444 175.510 -0.133 0.000 1.149 521 N CA -0.355 52.774 53.050 0.132 0.000 0.914 521 N CB 0.875 39.427 38.487 0.108 0.000 1.179 521 N HN 0.336 nan 8.380 nan 0.000 0.502 522 F N 3.873 123.506 119.950 -0.528 0.000 2.602 522 F HA 0.117 4.644 4.527 0.000 0.000 0.385 522 F C -1.313 174.200 175.800 -0.480 0.000 1.063 522 F CA -1.024 56.413 58.000 -0.939 0.000 1.233 522 F CB 0.469 39.072 39.000 -0.662 0.000 1.067 522 F HN 0.320 nan 8.300 nan 0.000 0.564 523 P HA 0.070 nan 4.420 nan 0.000 0.269 523 P C -0.731 176.382 177.300 -0.312 0.000 1.209 523 P CA -0.311 62.506 63.100 -0.472 0.000 0.776 523 P CB 0.685 32.106 31.700 -0.465 0.000 0.876 524 C N 0.000 119.178 119.300 -0.203 0.000 2.653 524 C HA 0.000 4.460 4.460 0.001 0.000 0.325 524 C CA 0.000 58.933 59.018 -0.142 0.000 1.963 524 C CB 0.000 27.690 27.740 -0.083 0.000 2.134 524 C HN 0.000 nan 8.230 nan 0.000 0.568