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 1e7h_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA L 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.293 175.328 -0.059 0.000 0.993 3 H CA 0.000 55.958 56.048 -0.151 0.000 1.023 3 H CB 0.000 29.616 29.762 -0.244 0.000 1.292 4 K N 0.040 120.420 120.400 -0.034 0.000 2.103 4 K HA 0.247 4.574 4.320 0.011 0.000 0.204 4 K C 1.175 177.780 176.600 0.009 0.000 1.052 4 K CA 1.356 57.636 56.287 -0.011 0.000 0.945 4 K CB 0.192 32.684 32.500 -0.013 0.000 0.722 4 K HN 0.395 nan 8.250 nan 0.000 0.443 5 S N -0.762 114.945 115.700 0.012 0.000 2.449 5 S HA 0.477 4.954 4.470 0.011 0.000 0.310 5 S C 1.154 175.805 174.600 0.085 0.000 1.096 5 S CA 0.306 58.527 58.200 0.036 0.000 1.095 5 S CB 1.515 64.711 63.200 -0.006 0.000 1.007 5 S HN 0.607 nan 8.310 nan 0.000 0.474 6 E N 3.323 123.593 120.200 0.117 0.000 2.072 6 E HA -0.069 4.288 4.350 0.011 0.000 0.190 6 E C 1.941 178.654 176.600 0.189 0.000 0.982 6 E CA 1.695 58.194 56.400 0.165 0.000 0.803 6 E CB -1.173 28.621 29.700 0.156 0.000 0.755 6 E HN 0.786 nan 8.360 nan 0.000 0.453 7 V N -1.117 118.903 119.914 0.177 0.000 2.307 7 V HA 0.030 4.157 4.120 0.011 0.000 0.245 7 V C 2.858 179.004 176.094 0.087 0.000 1.045 7 V CA 1.816 64.230 62.300 0.189 0.000 1.024 7 V CB -1.191 30.777 31.823 0.243 0.000 0.651 7 V HN 0.532 nan 8.190 nan 0.000 0.449 8 A N -0.079 122.754 122.820 0.022 0.000 1.917 8 A HA -0.315 4.012 4.320 0.011 0.000 0.219 8 A C 2.352 179.999 177.584 0.104 0.000 1.182 8 A CA 2.252 54.281 52.037 -0.013 0.000 0.633 8 A CB -1.230 17.741 19.000 -0.048 0.000 0.819 8 A HN 0.833 nan 8.150 nan 0.000 0.448 9 H N -1.226 117.864 119.070 0.034 0.000 2.357 9 H HA -0.055 4.508 4.556 0.011 0.000 0.301 9 H C 2.227 177.594 175.328 0.065 0.000 1.082 9 H CA 1.206 57.281 56.048 0.046 0.000 1.342 9 H CB 0.070 29.858 29.762 0.044 0.000 1.389 9 H HN 0.244 nan 8.280 nan 0.000 0.511 10 R N 0.103 120.596 120.500 -0.012 0.000 2.090 10 R HA -0.107 4.240 4.340 0.011 0.000 0.228 10 R C 2.278 178.574 176.300 -0.007 0.000 1.110 10 R CA 0.625 56.702 56.100 -0.039 0.000 0.973 10 R CB -1.077 29.298 30.300 0.125 0.000 0.869 10 R HN 0.328 nan 8.270 nan 0.000 0.440 11 F N 2.195 122.019 119.950 -0.209 0.000 2.126 11 F HA -0.223 4.311 4.527 0.012 0.000 0.299 11 F C 2.044 177.722 175.800 -0.204 0.000 1.096 11 F CA 1.680 59.430 58.000 -0.417 0.000 1.255 11 F CB 0.095 38.737 39.000 -0.596 0.000 0.997 11 F HN -0.087 nan 8.300 nan 0.000 0.479 12 K N -0.118 120.300 120.400 0.030 0.000 2.001 12 K HA -0.159 4.168 4.320 0.011 0.000 0.208 12 K C 1.771 178.320 176.600 -0.085 0.000 1.048 12 K CA 1.638 57.925 56.287 -0.000 0.000 0.932 12 K CB -0.392 32.142 32.500 0.057 0.000 0.715 12 K HN 0.239 nan 8.250 nan 0.000 0.437 13 D N 0.913 121.237 120.400 -0.127 0.000 2.117 13 D HA -0.140 4.507 4.640 0.011 0.000 0.197 13 D C 1.914 178.155 176.300 -0.098 0.000 0.987 13 D CA 0.985 54.914 54.000 -0.118 0.000 0.829 13 D CB -0.118 40.578 40.800 -0.173 0.000 0.961 13 D HN -0.007 nan 8.370 nan 0.000 0.460 14 L N -0.095 121.060 121.223 -0.113 0.000 2.072 14 L HA 0.156 4.503 4.340 0.011 0.000 0.205 14 L C 1.304 178.081 176.870 -0.155 0.000 1.079 14 L CA 1.355 56.139 54.840 -0.092 0.000 0.752 14 L CB -1.147 40.907 42.059 -0.009 0.000 0.906 14 L HN 0.214 nan 8.230 nan 0.000 0.436 15 G N -0.979 107.632 108.800 -0.316 0.000 2.692 15 G HA2 -0.217 3.750 3.960 0.011 0.000 0.686 15 G HA3 -0.217 3.750 3.960 0.011 0.000 0.686 15 G C 0.515 175.102 174.900 -0.522 0.000 1.243 15 G CA 0.115 45.000 45.100 -0.358 0.000 0.782 15 G HN 0.257 nan 8.290 nan 0.000 0.625 16 E N 0.067 119.932 120.200 -0.559 0.000 2.049 16 E HA -0.216 4.141 4.350 0.011 0.000 0.198 16 E C 2.165 178.732 176.600 -0.055 0.000 1.007 16 E CA 1.941 58.120 56.400 -0.369 0.000 0.809 16 E CB -0.056 29.636 29.700 -0.014 0.000 0.749 16 E HN 0.530 nan 8.360 nan 0.000 0.450 17 E N 0.625 120.808 120.200 -0.027 0.000 2.049 17 E HA -0.195 4.162 4.350 0.011 0.000 0.198 17 E C 1.894 178.513 176.600 0.031 0.000 1.007 17 E CA 1.094 57.509 56.400 0.025 0.000 0.809 17 E CB -0.479 29.233 29.700 0.020 0.000 0.749 17 E HN 0.344 nan 8.360 nan 0.000 0.450 18 N N 0.084 118.786 118.700 0.003 0.000 2.188 18 N HA -0.123 4.623 4.740 0.011 0.000 0.184 18 N C 1.786 177.311 175.510 0.025 0.000 1.018 18 N CA 0.521 53.576 53.050 0.008 0.000 0.858 18 N CB -0.523 37.959 38.487 -0.008 0.000 0.989 18 N HN 0.114 nan 8.380 nan 0.000 0.426 19 F N 2.491 122.361 119.950 -0.132 0.000 2.046 19 F HA -0.172 4.362 4.527 0.012 0.000 0.297 19 F C 2.191 177.993 175.800 0.003 0.000 1.123 19 F CA 1.613 59.558 58.000 -0.092 0.000 1.199 19 F CB -0.151 38.736 39.000 -0.188 0.000 0.972 19 F HN -0.113 nan 8.300 nan 0.000 0.474 20 K N 0.079 120.567 120.400 0.148 0.000 2.044 20 K HA -0.214 4.113 4.320 0.011 0.000 0.210 20 K C 2.285 178.881 176.600 -0.007 0.000 1.049 20 K CA 1.400 57.737 56.287 0.085 0.000 0.927 20 K CB -0.674 31.924 32.500 0.163 0.000 0.713 20 K HN 0.394 nan 8.250 nan 0.000 0.443 21 A N 1.341 124.166 122.820 0.007 0.000 1.902 21 A HA -0.152 4.175 4.320 0.011 0.000 0.217 21 A C 2.137 179.694 177.584 -0.046 0.000 1.181 21 A CA 1.346 53.388 52.037 0.008 0.000 0.623 21 A CB -0.618 18.396 19.000 0.023 0.000 0.818 21 A HN 0.174 nan 8.150 nan 0.000 0.443 22 L N -0.685 120.468 121.223 -0.117 0.000 2.093 22 L HA -0.123 4.224 4.340 0.011 0.000 0.208 22 L C 2.490 179.212 176.870 -0.248 0.000 1.085 22 L CA 0.786 55.519 54.840 -0.179 0.000 0.755 22 L CB -0.418 41.513 42.059 -0.212 0.000 0.904 22 L HN 0.240 nan 8.230 nan 0.000 0.435 23 V N 0.057 119.770 119.914 -0.336 0.000 2.407 23 V HA -0.286 3.841 4.120 0.011 0.000 0.248 23 V C 2.372 178.410 176.094 -0.092 0.000 1.055 23 V CA 1.652 63.755 62.300 -0.330 0.000 1.049 23 V CB -0.326 31.298 31.823 -0.331 0.000 0.662 23 V HN 0.347 nan 8.190 nan 0.000 0.455 24 L N 0.031 121.247 121.223 -0.013 0.000 2.017 24 L HA -0.146 4.201 4.340 0.011 0.000 0.208 24 L C 2.203 179.096 176.870 0.039 0.000 1.073 24 L CA 2.002 56.884 54.840 0.070 0.000 0.745 24 L CB -0.431 41.682 42.059 0.090 0.000 0.894 24 L HN 0.215 nan 8.230 nan 0.000 0.432 25 I N -0.190 120.377 120.570 -0.005 0.000 2.179 25 I HA -0.308 3.869 4.170 0.011 0.000 0.242 25 I C 2.692 178.788 176.117 -0.034 0.000 1.088 25 I CA 1.209 62.501 61.300 -0.013 0.000 1.357 25 I CB -0.910 37.073 38.000 -0.029 0.000 1.051 25 I HN 0.406 nan 8.210 nan 0.000 0.409 26 A N 1.128 123.882 122.820 -0.110 0.000 1.892 26 A HA -0.246 4.081 4.320 0.011 0.000 0.218 26 A C 2.110 179.747 177.584 0.089 0.000 1.188 26 A CA 1.853 53.811 52.037 -0.131 0.000 0.631 26 A CB -1.048 17.701 19.000 -0.419 0.000 0.822 26 A HN 0.331 nan 8.150 nan 0.000 0.447 27 F N -0.038 119.950 119.950 0.063 0.000 2.186 27 F HA -0.027 4.507 4.527 0.012 0.000 0.299 27 F C 2.777 178.442 175.800 -0.225 0.000 1.090 27 F CA 0.506 58.473 58.000 -0.055 0.000 1.307 27 F CB -0.770 38.083 39.000 -0.244 0.000 1.019 27 F HN 0.268 nan 8.300 nan 0.000 0.489 28 A N -0.552 122.209 122.820 -0.097 0.000 1.930 28 A HA -0.200 4.127 4.320 0.011 0.000 0.217 28 A C 2.095 179.684 177.584 0.009 0.000 1.175 28 A CA 1.362 53.335 52.037 -0.106 0.000 0.627 28 A CB -0.726 18.242 19.000 -0.053 0.000 0.815 28 A HN 0.442 nan 8.150 nan 0.000 0.443 29 Q N -2.166 117.650 119.800 0.025 0.000 2.364 29 Q HA -0.119 4.228 4.340 0.011 0.000 0.207 29 Q C 1.379 177.318 176.000 -0.102 0.000 0.970 29 Q CA 1.234 57.010 55.803 -0.046 0.000 0.888 29 Q CB -0.127 28.546 28.738 -0.109 0.000 0.951 29 Q HN 0.863 nan 8.270 nan 0.000 0.469 30 Y N -0.164 120.144 120.300 0.013 0.000 2.259 30 Y HA 0.091 4.649 4.550 0.012 0.000 0.285 30 Y C 0.890 176.756 175.900 -0.056 0.000 1.130 30 Y CA 0.238 58.341 58.100 0.005 0.000 1.144 30 Y CB 0.438 38.923 38.460 0.042 0.000 1.093 30 Y HN -0.100 nan 8.280 nan 0.000 0.507 31 L N 2.534 123.830 121.223 0.121 0.000 2.423 31 L HA 0.121 4.468 4.340 0.011 0.000 0.249 31 L C 0.504 177.562 176.870 0.313 0.000 1.276 31 L CA 0.046 54.864 54.840 -0.036 0.000 1.199 31 L CB 0.029 42.083 42.059 -0.008 0.000 1.407 31 L HN 0.401 nan 8.230 nan 0.000 0.410 32 Q N -0.042 119.920 119.800 0.270 0.000 2.436 32 Q HA -0.096 4.251 4.340 0.011 0.000 0.209 32 Q C 0.951 177.098 176.000 0.246 0.000 0.965 32 Q CA 0.743 56.678 55.803 0.221 0.000 0.910 32 Q CB 0.153 28.962 28.738 0.118 0.000 0.980 32 Q HN 0.603 nan 8.270 nan 0.000 0.491 33 Q N -0.655 119.379 119.800 0.389 0.000 2.179 33 Q HA 0.163 4.510 4.340 0.011 0.000 0.213 33 Q C -0.255 175.829 176.000 0.139 0.000 0.833 33 Q CA -0.006 55.904 55.803 0.177 0.000 0.990 33 Q CB 0.792 29.526 28.738 -0.007 0.000 1.132 33 Q HN 0.227 nan 8.270 nan 0.000 0.493 34 C N 3.431 122.882 119.300 0.251 0.000 2.405 34 C HA 0.446 4.913 4.460 0.011 0.000 0.365 34 C C -1.898 173.072 174.990 -0.033 0.000 1.233 34 C CA -1.201 57.849 59.018 0.053 0.000 2.230 34 C CB 0.984 28.712 27.740 -0.019 0.000 2.443 34 C HN 0.277 nan 8.230 nan 0.000 0.556 35 P HA 0.046 nan 4.420 nan 0.000 0.271 35 P C 0.542 177.695 177.300 -0.246 0.000 1.218 35 P CA 0.052 63.106 63.100 -0.077 0.000 0.780 35 P CB 0.385 32.041 31.700 -0.073 0.000 0.901 36 F N 3.052 122.676 119.950 -0.543 0.000 2.043 36 F HA -0.289 4.245 4.527 0.011 0.000 0.297 36 F C 1.856 177.441 175.800 -0.359 0.000 1.118 36 F CA 2.153 59.689 58.000 -0.774 0.000 1.202 36 F CB -0.749 37.737 39.000 -0.856 0.000 0.965 36 F HN 0.300 nan 8.300 nan 0.000 0.482 37 E N 0.186 120.267 120.200 -0.200 0.000 2.233 37 E HA -0.238 4.119 4.350 0.011 0.000 0.199 37 E C 1.699 178.140 176.600 -0.265 0.000 1.004 37 E CA 1.664 57.934 56.400 -0.216 0.000 0.819 37 E CB -0.513 29.143 29.700 -0.073 0.000 0.738 37 E HN 0.518 nan 8.360 nan 0.000 0.478 38 D N -0.875 119.358 120.400 -0.277 0.000 2.103 38 D HA -0.087 4.559 4.640 0.011 0.000 0.199 38 D C 1.678 177.837 176.300 -0.236 0.000 0.978 38 D CA 0.922 54.773 54.000 -0.248 0.000 0.829 38 D CB -0.088 40.555 40.800 -0.261 0.000 0.981 38 D HN 0.229 nan 8.370 nan 0.000 0.464 39 H N -0.125 118.791 119.070 -0.257 0.000 2.387 39 H HA -0.018 4.545 4.556 0.011 0.000 0.299 39 H C 2.268 177.410 175.328 -0.310 0.000 1.090 39 H CA 0.496 56.394 56.048 -0.250 0.000 1.332 39 H CB -0.586 29.112 29.762 -0.107 0.000 1.386 39 H HN 0.021 nan 8.280 nan 0.000 0.516 40 V N 1.204 120.902 119.914 -0.360 0.000 2.392 40 V HA -0.281 3.846 4.120 0.011 0.000 0.249 40 V C 2.779 178.769 176.094 -0.172 0.000 1.059 40 V CA 2.522 64.617 62.300 -0.341 0.000 1.051 40 V CB -0.821 30.705 31.823 -0.496 0.000 0.658 40 V HN 0.621 nan 8.190 nan 0.000 0.455 41 K N -0.313 119.985 120.400 -0.169 0.000 2.057 41 K HA -0.076 4.251 4.320 0.011 0.000 0.206 41 K C 2.034 178.570 176.600 -0.107 0.000 1.050 41 K CA 1.658 57.875 56.287 -0.117 0.000 0.935 41 K CB -0.725 31.703 32.500 -0.120 0.000 0.715 41 K HN 0.418 nan 8.250 nan 0.000 0.439 42 L N 0.533 121.658 121.223 -0.164 0.000 1.976 42 L HA -0.184 4.163 4.340 0.011 0.000 0.209 42 L C 2.611 179.447 176.870 -0.057 0.000 1.071 42 L CA 1.615 56.316 54.840 -0.232 0.000 0.746 42 L CB -0.755 40.951 42.059 -0.588 0.000 0.890 42 L HN 0.242 nan 8.230 nan 0.000 0.432 43 V N 0.528 120.447 119.914 0.008 0.000 2.278 43 V HA -0.337 3.790 4.120 0.011 0.000 0.251 43 V C 2.234 178.404 176.094 0.126 0.000 1.062 43 V CA 2.095 64.466 62.300 0.118 0.000 1.038 43 V CB -0.759 31.111 31.823 0.077 0.000 0.646 43 V HN 0.517 nan 8.190 nan 0.000 0.447 44 N N -0.432 118.307 118.700 0.065 0.000 2.244 44 N HA -0.142 4.605 4.740 0.011 0.000 0.183 44 N C 1.855 177.421 175.510 0.094 0.000 1.016 44 N CA 1.184 54.282 53.050 0.079 0.000 0.866 44 N CB -0.200 38.306 38.487 0.033 0.000 0.980 44 N HN 0.606 nan 8.380 nan 0.000 0.430 45 E N 0.094 120.336 120.200 0.069 0.000 2.028 45 E HA -0.055 4.302 4.350 0.011 0.000 0.190 45 E C 1.832 178.527 176.600 0.157 0.000 0.984 45 E CA 0.690 57.134 56.400 0.074 0.000 0.800 45 E CB 0.172 29.877 29.700 0.009 0.000 0.758 45 E HN 0.002 nan 8.360 nan 0.000 0.448 46 V N 0.794 120.828 119.914 0.200 0.000 2.295 46 V HA -0.257 3.870 4.120 0.011 0.000 0.246 46 V C 2.278 178.634 176.094 0.437 0.000 1.049 46 V CA 2.153 64.646 62.300 0.322 0.000 1.024 46 V CB -0.650 31.387 31.823 0.357 0.000 0.648 46 V HN 0.349 nan 8.190 nan 0.000 0.447 47 T N -0.315 114.487 114.554 0.414 0.000 2.833 47 T HA -0.143 4.214 4.350 0.011 0.000 0.269 47 T C 2.130 176.927 174.700 0.161 0.000 1.054 47 T CA 1.712 64.071 62.100 0.432 0.000 1.135 47 T CB -0.299 68.821 68.868 0.421 0.000 0.869 47 T HN 0.788 nan 8.240 nan 0.000 0.466 48 E N 1.002 121.292 120.200 0.150 0.000 2.072 48 E HA -0.046 4.311 4.350 0.011 0.000 0.190 48 E C 1.688 178.319 176.600 0.052 0.000 0.982 48 E CA 1.051 57.491 56.400 0.067 0.000 0.803 48 E CB -1.053 28.695 29.700 0.080 0.000 0.755 48 E HN 0.608 nan 8.360 nan 0.000 0.453 49 F N 1.621 121.566 119.950 -0.008 0.000 2.075 49 F HA 0.044 4.578 4.527 0.011 0.000 0.297 49 F C 2.704 178.450 175.800 -0.089 0.000 1.113 49 F CA 1.938 59.926 58.000 -0.020 0.000 1.218 49 F CB -0.598 38.423 39.000 0.035 0.000 0.984 49 F HN 0.254 nan 8.300 nan 0.000 0.472 50 A N 0.487 123.261 122.820 -0.078 0.000 1.948 50 A HA -0.251 4.076 4.320 0.011 0.000 0.220 50 A C 2.297 179.455 177.584 -0.710 0.000 1.177 50 A CA 2.046 53.842 52.037 -0.401 0.000 0.636 50 A CB -0.778 17.977 19.000 -0.408 0.000 0.815 50 A HN 0.493 nan 8.150 nan 0.000 0.449 51 K N -1.219 118.775 120.400 -0.677 0.000 2.097 51 K HA -0.080 4.247 4.320 0.011 0.000 0.205 51 K C 2.091 178.452 176.600 -0.398 0.000 1.050 51 K CA 1.523 57.436 56.287 -0.623 0.000 0.938 51 K CB -0.395 31.859 32.500 -0.411 0.000 0.718 51 K HN 0.484 nan 8.250 nan 0.000 0.442 52 T N 0.928 115.271 114.554 -0.352 0.000 2.720 52 T HA -0.166 4.191 4.350 0.011 0.000 0.268 52 T C 2.028 176.535 174.700 -0.322 0.000 1.037 52 T CA 1.253 63.180 62.100 -0.288 0.000 1.144 52 T CB -0.252 68.453 68.868 -0.273 0.000 0.864 52 T HN 0.310 nan 8.240 nan 0.000 0.444 53 c N 0.762 119.091 118.600 -0.452 0.000 2.464 53 c HA 0.121 4.698 4.570 0.011 0.000 0.278 53 c C 2.739 176.680 174.090 -0.248 0.000 1.375 53 c CA -0.203 55.907 56.329 -0.365 0.000 1.761 53 c CB -1.002 41.242 42.510 -0.445 0.000 1.944 53 c HN 0.343 nan 8.230 nan 0.000 0.509 54 V N 1.165 120.910 119.914 -0.282 0.000 2.809 54 V HA -0.086 4.041 4.120 0.011 0.000 0.256 54 V C 2.488 178.501 176.094 -0.134 0.000 1.080 54 V CA 1.965 64.149 62.300 -0.192 0.000 1.102 54 V CB -0.781 30.895 31.823 -0.245 0.000 0.705 54 V HN 0.596 nan 8.190 nan 0.000 0.475 55 A N -0.930 121.799 122.820 -0.152 0.000 2.081 55 A HA 0.062 4.389 4.320 0.011 0.000 0.214 55 A C 0.958 178.490 177.584 -0.087 0.000 1.158 55 A CA 0.972 52.946 52.037 -0.105 0.000 0.724 55 A CB 0.149 19.084 19.000 -0.107 0.000 0.826 55 A HN 0.487 nan 8.150 nan 0.000 0.463 56 D N -1.914 118.424 120.400 -0.104 0.000 2.318 56 D HA 0.370 5.017 4.640 0.011 0.000 0.233 56 D C 0.530 176.775 176.300 -0.091 0.000 1.348 56 D CA 0.539 54.491 54.000 -0.081 0.000 0.983 56 D CB 0.549 41.306 40.800 -0.071 0.000 1.416 56 D HN 0.108 nan 8.370 nan 0.000 0.558 57 E N 0.901 121.058 120.200 -0.071 0.000 2.455 57 E HA -0.095 4.262 4.350 0.011 0.000 0.202 57 E C 1.326 177.898 176.600 -0.046 0.000 1.045 57 E CA 1.344 57.707 56.400 -0.062 0.000 0.872 57 E CB -0.164 29.512 29.700 -0.039 0.000 0.792 57 E HN 0.317 nan 8.360 nan 0.000 0.542 58 S N -0.674 115.002 115.700 -0.041 0.000 2.524 58 S HA 0.502 4.979 4.470 0.011 0.000 0.216 58 S C 1.298 175.886 174.600 -0.021 0.000 0.987 58 S CA 0.207 58.393 58.200 -0.023 0.000 0.909 58 S CB 0.212 63.401 63.200 -0.018 0.000 0.781 58 S HN 0.853 nan 8.310 nan 0.000 0.521 59 A N 2.103 124.896 122.820 -0.045 0.000 2.547 59 A HA 0.432 4.759 4.320 0.011 0.000 0.233 59 A C 0.621 178.208 177.584 0.006 0.000 1.067 59 A CA 0.225 52.239 52.037 -0.039 0.000 0.763 59 A CB -0.353 18.590 19.000 -0.096 0.000 1.007 59 A HN 0.546 nan 8.150 nan 0.000 0.506 60 E N 1.536 121.761 120.200 0.042 0.000 2.608 60 E HA 0.145 4.502 4.350 0.011 0.000 0.259 60 E C 0.780 177.497 176.600 0.194 0.000 0.951 60 E CA 0.467 56.925 56.400 0.096 0.000 0.945 60 E CB -0.682 29.076 29.700 0.097 0.000 0.916 60 E HN 0.919 nan 8.360 nan 0.000 0.477 61 N N 0.228 119.037 118.700 0.182 0.000 2.857 61 N HA -0.268 4.479 4.740 0.011 0.000 0.242 61 N C 1.180 176.915 175.510 0.374 0.000 0.983 61 N CA 1.285 54.489 53.050 0.256 0.000 0.934 61 N CB -2.185 36.457 38.487 0.258 0.000 1.115 61 N HN 0.692 nan 8.380 nan 0.000 0.593 62 c N 1.553 120.286 118.600 0.222 0.000 2.437 62 c HA -0.080 4.497 4.570 0.011 0.000 0.283 62 c C 2.263 176.421 174.090 0.112 0.000 1.424 62 c CA 1.015 57.402 56.329 0.097 0.000 1.782 62 c CB -0.813 41.644 42.510 -0.087 0.000 1.833 62 c HN 0.565 nan 8.230 nan 0.000 0.532 63 D N 0.993 121.457 120.400 0.108 0.000 2.249 63 D HA -0.061 4.586 4.640 0.011 0.000 0.205 63 D C 0.747 177.109 176.300 0.104 0.000 0.962 63 D CA 0.543 54.594 54.000 0.084 0.000 0.860 63 D CB -0.408 40.429 40.800 0.062 0.000 0.955 63 D HN 0.408 nan 8.370 nan 0.000 0.505 64 K N 0.947 121.426 120.400 0.131 0.000 2.402 64 K HA 0.068 4.395 4.320 0.011 0.000 0.265 64 K C 0.750 177.432 176.600 0.136 0.000 0.978 64 K CA -0.058 56.303 56.287 0.123 0.000 0.913 64 K CB 0.363 32.936 32.500 0.121 0.000 0.954 64 K HN 0.109 nan 8.250 nan 0.000 0.511 65 S N 0.180 115.957 115.700 0.129 0.000 2.655 65 S HA 0.143 4.620 4.470 0.011 0.000 0.265 65 S C 1.507 176.202 174.600 0.159 0.000 1.240 65 S CA -0.665 57.623 58.200 0.147 0.000 0.986 65 S CB 0.454 63.745 63.200 0.152 0.000 0.985 65 S HN 0.526 nan 8.310 nan 0.000 0.562 66 L N 0.932 122.246 121.223 0.151 0.000 2.072 66 L HA -0.031 4.316 4.340 0.011 0.000 0.205 66 L C 2.354 179.259 176.870 0.058 0.000 1.079 66 L CA 1.362 56.252 54.840 0.084 0.000 0.752 66 L CB -0.782 41.275 42.059 -0.004 0.000 0.906 66 L HN 0.798 nan 8.230 nan 0.000 0.436 67 H N -0.949 118.165 119.070 0.075 0.000 2.421 67 H HA -0.133 4.430 4.556 0.011 0.000 0.298 67 H C 2.289 177.702 175.328 0.141 0.000 1.087 67 H CA 1.924 58.034 56.048 0.104 0.000 1.330 67 H CB -0.080 29.733 29.762 0.085 0.000 1.388 67 H HN 0.202 nan 8.280 nan 0.000 0.526 68 T N 0.267 114.957 114.554 0.225 0.000 2.851 68 T HA -0.029 4.328 4.350 0.011 0.000 0.262 68 T C 2.133 176.892 174.700 0.099 0.000 1.043 68 T CA 0.786 62.976 62.100 0.150 0.000 1.140 68 T CB -0.129 68.808 68.868 0.114 0.000 0.872 68 T HN 0.171 nan 8.240 nan 0.000 0.446 69 L N -0.053 121.225 121.223 0.092 0.000 2.005 69 L HA 0.008 4.354 4.340 0.011 0.000 0.207 69 L C 2.283 179.175 176.870 0.036 0.000 1.072 69 L CA 1.386 56.240 54.840 0.024 0.000 0.744 69 L CB -0.652 41.436 42.059 0.049 0.000 0.895 69 L HN 0.180 nan 8.230 nan 0.000 0.433 70 F N 1.321 121.215 119.950 -0.092 0.000 2.025 70 F HA -0.202 4.332 4.527 0.012 0.000 0.297 70 F C 2.301 178.020 175.800 -0.136 0.000 1.132 70 F CA 1.875 59.765 58.000 -0.183 0.000 1.191 70 F CB -0.915 37.873 39.000 -0.354 0.000 0.963 70 F HN 0.001 nan 8.300 nan 0.000 0.481 71 G N -0.570 108.180 108.800 -0.084 0.000 2.462 71 G HA2 -0.289 3.677 3.960 0.011 0.000 0.220 71 G HA3 -0.289 3.677 3.960 0.011 0.000 0.220 71 G C 1.309 176.159 174.900 -0.084 0.000 1.121 71 G CA 1.151 46.180 45.100 -0.118 0.000 0.758 71 G HN 0.391 nan 8.290 nan 0.000 0.559 72 D N 0.134 120.503 120.400 -0.051 0.000 2.117 72 D HA -0.016 4.631 4.640 0.011 0.000 0.198 72 D C 2.487 178.722 176.300 -0.108 0.000 0.982 72 D CA 0.626 54.596 54.000 -0.049 0.000 0.828 72 D CB -0.027 40.742 40.800 -0.050 0.000 0.967 72 D HN 0.096 nan 8.370 nan 0.000 0.464 73 K N 0.250 120.561 120.400 -0.148 0.000 2.025 73 K HA -0.057 4.270 4.320 0.011 0.000 0.207 73 K C 2.217 178.663 176.600 -0.256 0.000 1.049 73 K CA 0.227 56.416 56.287 -0.165 0.000 0.933 73 K CB -0.556 31.923 32.500 -0.035 0.000 0.714 73 K HN 0.119 nan 8.250 nan 0.000 0.438 74 L N 0.907 121.909 121.223 -0.368 0.000 2.043 74 L HA -0.262 4.085 4.340 0.011 0.000 0.212 74 L C 2.450 179.174 176.870 -0.244 0.000 1.075 74 L CA 1.562 56.130 54.840 -0.453 0.000 0.752 74 L CB -0.553 40.988 42.059 -0.863 0.000 0.891 74 L HN 0.175 nan 8.230 nan 0.000 0.432 75 c N -1.131 117.392 118.600 -0.128 0.000 2.437 75 c HA -0.091 4.486 4.570 0.011 0.000 0.283 75 c C 2.743 176.814 174.090 -0.031 0.000 1.424 75 c CA 1.098 57.424 56.329 -0.004 0.000 1.782 75 c CB -1.518 41.030 42.510 0.064 0.000 1.833 75 c HN 0.730 nan 8.230 nan 0.000 0.532 76 T N -1.911 112.595 114.554 -0.080 0.000 2.985 76 T HA -0.001 4.356 4.350 0.011 0.000 0.266 76 T C 0.677 175.338 174.700 -0.066 0.000 1.076 76 T CA 0.351 62.408 62.100 -0.071 0.000 1.135 76 T CB -0.529 68.283 68.868 -0.095 0.000 0.890 76 T HN 0.171 nan 8.240 nan 0.000 0.480 77 V N 2.817 122.682 119.914 -0.082 0.000 2.539 77 V HA 0.171 4.298 4.120 0.011 0.000 0.294 77 V C 1.895 177.984 176.094 -0.009 0.000 0.994 77 V CA 0.287 62.555 62.300 -0.054 0.000 1.169 77 V CB -0.752 31.047 31.823 -0.041 0.000 0.898 77 V HN 0.661 nan 8.190 nan 0.000 0.471 78 A N 4.796 127.607 122.820 -0.015 0.000 2.067 78 A HA -0.024 4.303 4.320 0.011 0.000 0.219 78 A C 2.038 179.628 177.584 0.010 0.000 1.158 78 A CA 1.821 53.855 52.037 -0.005 0.000 0.661 78 A CB -0.408 18.582 19.000 -0.016 0.000 0.801 78 A HN 1.003 nan 8.150 nan 0.000 0.452 79 T N -1.454 113.111 114.554 0.019 0.000 3.163 79 T HA 0.438 4.795 4.350 0.011 0.000 0.252 79 T C 1.437 176.178 174.700 0.069 0.000 1.056 79 T CA 0.510 62.622 62.100 0.019 0.000 0.947 79 T CB -0.313 68.551 68.868 -0.007 0.000 1.016 79 T HN 0.148 nan 8.240 nan 0.000 0.554 80 L N 1.289 122.587 121.223 0.126 0.000 1.956 80 L HA -0.105 4.241 4.340 0.011 0.000 0.216 80 L C 2.658 179.647 176.870 0.198 0.000 1.073 80 L CA 2.322 57.311 54.840 0.249 0.000 0.762 80 L CB -0.386 41.770 42.059 0.162 0.000 0.889 80 L HN 0.467 nan 8.230 nan 0.000 0.433 81 R N -0.494 120.067 120.500 0.102 0.000 2.097 81 R HA -0.225 4.122 4.340 0.011 0.000 0.236 81 R C 2.252 178.568 176.300 0.027 0.000 1.135 81 R CA 2.447 58.584 56.100 0.062 0.000 0.934 81 R CB -0.757 29.563 30.300 0.033 0.000 0.846 81 R HN 0.522 nan 8.270 nan 0.000 0.431 82 E N -0.447 119.754 120.200 0.003 0.000 2.085 82 E HA -0.176 4.181 4.350 0.011 0.000 0.194 82 E C 1.956 178.507 176.600 -0.082 0.000 0.994 82 E CA 1.999 58.380 56.400 -0.033 0.000 0.801 82 E CB -1.145 28.534 29.700 -0.035 0.000 0.743 82 E HN 0.681 nan 8.360 nan 0.000 0.453 83 T N -1.053 113.417 114.554 -0.140 0.000 2.901 83 T HA 0.095 4.452 4.350 0.011 0.000 0.252 83 T C 1.751 176.189 174.700 -0.436 0.000 1.035 83 T CA 1.147 63.036 62.100 -0.352 0.000 1.142 83 T CB -0.234 68.270 68.868 -0.607 0.000 0.869 83 T HN 0.558 nan 8.240 nan 0.000 0.442 84 Y N 1.003 121.312 120.300 0.016 0.000 2.476 84 Y HA 0.369 4.926 4.550 0.011 0.000 0.283 84 Y C 2.123 178.016 175.900 -0.011 0.000 1.109 84 Y CA -0.005 58.107 58.100 0.021 0.000 1.246 84 Y CB -0.546 37.947 38.460 0.055 0.000 1.068 84 Y HN 0.391 nan 8.280 nan 0.000 0.552 85 G N 0.850 109.711 108.800 0.101 0.000 2.601 85 G HA2 -0.450 3.517 3.960 0.011 0.000 0.306 85 G HA3 -0.450 3.517 3.960 0.011 0.000 0.306 85 G C 1.199 176.096 174.900 -0.005 0.000 1.172 85 G CA 0.753 45.872 45.100 0.032 0.000 0.966 85 G HN 0.340 nan 8.290 nan 0.000 0.542 86 E N 0.089 120.242 120.200 -0.079 0.000 2.114 86 E HA -0.283 4.074 4.350 0.011 0.000 0.199 86 E C 2.531 178.969 176.600 -0.269 0.000 1.008 86 E CA 1.984 58.269 56.400 -0.191 0.000 0.810 86 E CB -0.220 29.292 29.700 -0.314 0.000 0.739 86 E HN 0.590 nan 8.360 nan 0.000 0.456 87 M N 0.707 120.144 119.600 -0.273 0.000 2.192 87 M HA -0.211 4.276 4.480 0.011 0.000 0.259 87 M C 2.041 178.388 176.300 0.079 0.000 1.071 87 M CA 2.024 57.284 55.300 -0.066 0.000 1.082 87 M CB -0.036 32.648 32.600 0.140 0.000 1.373 87 M HN 0.086 nan 8.290 nan 0.000 0.408 88 A N -0.511 122.351 122.820 0.070 0.000 2.168 88 A HA -0.090 4.237 4.320 0.011 0.000 0.215 88 A C 1.524 179.126 177.584 0.030 0.000 1.152 88 A CA 1.482 53.569 52.037 0.084 0.000 0.716 88 A CB -0.602 18.446 19.000 0.081 0.000 0.794 88 A HN 0.607 nan 8.150 nan 0.000 0.465 89 D N -0.797 119.596 120.400 -0.013 0.000 2.289 89 D HA -0.036 4.611 4.640 0.011 0.000 0.207 89 D C 1.730 177.999 176.300 -0.052 0.000 0.966 89 D CA 0.697 54.684 54.000 -0.022 0.000 0.868 89 D CB -0.276 40.512 40.800 -0.020 0.000 0.943 89 D HN 0.466 nan 8.370 nan 0.000 0.514 90 c N 0.289 118.820 118.600 -0.116 0.000 2.425 90 c HA -0.127 4.450 4.570 0.011 0.000 0.277 90 c C 2.842 176.809 174.090 -0.206 0.000 1.280 90 c CA 0.003 56.165 56.329 -0.279 0.000 1.744 90 c CB -1.071 40.965 42.510 -0.791 0.000 1.989 90 c HN 0.423 nan 8.230 nan 0.000 0.491 91 c N 1.255 119.809 118.600 -0.077 0.000 2.409 91 c HA -0.022 4.555 4.570 0.011 0.000 0.288 91 c C 2.888 176.980 174.090 0.002 0.000 1.395 91 c CA 1.147 57.489 56.329 0.022 0.000 1.792 91 c CB -1.734 40.822 42.510 0.077 0.000 1.847 91 c HN 0.731 nan 8.230 nan 0.000 0.534 92 A N 0.036 122.845 122.820 -0.018 0.000 2.081 92 A HA 0.041 4.368 4.320 0.011 0.000 0.214 92 A C 1.125 178.700 177.584 -0.015 0.000 1.158 92 A CA 0.525 52.556 52.037 -0.010 0.000 0.724 92 A CB -0.088 18.907 19.000 -0.009 0.000 0.826 92 A HN 0.640 nan 8.150 nan 0.000 0.463 93 K N -0.188 120.192 120.400 -0.034 0.000 2.149 93 K HA 0.466 4.793 4.320 0.011 0.000 0.245 93 K C 0.435 177.028 176.600 -0.012 0.000 1.024 93 K CA 0.267 56.536 56.287 -0.030 0.000 0.899 93 K CB 0.018 32.486 32.500 -0.055 0.000 1.038 93 K HN 0.346 nan 8.250 nan 0.000 0.496 94 Q N 1.226 121.023 119.800 -0.004 0.000 2.306 94 Q HA -0.001 4.346 4.340 0.011 0.000 0.241 94 Q C 1.040 177.050 176.000 0.017 0.000 0.948 94 Q CA -0.072 55.736 55.803 0.009 0.000 0.886 94 Q CB 0.552 29.294 28.738 0.007 0.000 1.227 94 Q HN 0.717 nan 8.270 nan 0.000 0.457 95 E N 1.245 121.466 120.200 0.035 0.000 2.068 95 E HA -0.162 4.195 4.350 0.011 0.000 0.207 95 E C -0.790 175.837 176.600 0.045 0.000 1.032 95 E CA 2.646 59.081 56.400 0.058 0.000 0.839 95 E CB -1.311 28.431 29.700 0.069 0.000 0.758 95 E HN 0.650 nan 8.360 nan 0.000 0.457 96 P HA -0.201 nan 4.420 nan 0.000 0.218 96 P C 0.905 178.209 177.300 0.006 0.000 1.165 96 P CA 2.567 65.667 63.100 0.000 0.000 0.922 96 P CB -0.196 31.500 31.700 -0.007 0.000 0.794 97 E N -1.443 118.759 120.200 0.003 0.000 2.216 97 E HA -0.052 4.305 4.350 0.011 0.000 0.192 97 E C 2.176 178.762 176.600 -0.023 0.000 0.988 97 E CA 0.290 56.687 56.400 -0.005 0.000 0.834 97 E CB -0.401 29.291 29.700 -0.013 0.000 0.772 97 E HN 0.132 nan 8.360 nan 0.000 0.479 98 R N 1.278 121.762 120.500 -0.027 0.000 2.094 98 R HA -0.197 4.150 4.340 0.011 0.000 0.239 98 R C 2.315 178.575 176.300 -0.066 0.000 1.137 98 R CA 1.813 57.850 56.100 -0.106 0.000 0.943 98 R CB -0.292 30.010 30.300 0.003 0.000 0.850 98 R HN 0.214 nan 8.270 nan 0.000 0.433 99 N N 0.365 119.170 118.700 0.176 0.000 2.061 99 N HA -0.250 4.497 4.740 0.011 0.000 0.193 99 N C 1.665 177.349 175.510 0.291 0.000 1.030 99 N CA 1.860 55.132 53.050 0.370 0.000 0.856 99 N CB -0.076 38.609 38.487 0.330 0.000 1.023 99 N HN 0.200 nan 8.380 nan 0.000 0.424 100 E N 0.747 121.039 120.200 0.154 0.000 2.153 100 E HA -0.125 4.232 4.350 0.011 0.000 0.194 100 E C 2.235 178.879 176.600 0.074 0.000 0.988 100 E CA 0.793 57.276 56.400 0.140 0.000 0.811 100 E CB -0.763 28.989 29.700 0.086 0.000 0.746 100 E HN 0.447 nan 8.360 nan 0.000 0.466 101 c N -0.438 118.147 118.600 -0.025 0.000 2.440 101 c HA -0.077 4.500 4.570 0.011 0.000 0.278 101 c C 2.280 176.343 174.090 -0.046 0.000 1.295 101 c CA 0.591 56.852 56.329 -0.114 0.000 1.738 101 c CB -1.486 40.900 42.510 -0.207 0.000 1.987 101 c HN 0.458 nan 8.230 nan 0.000 0.492 102 F N 1.337 121.405 119.950 0.197 0.000 2.113 102 F HA 0.042 4.576 4.527 0.011 0.000 0.297 102 F C 2.194 178.137 175.800 0.238 0.000 1.103 102 F CA 1.392 59.566 58.000 0.290 0.000 1.248 102 F CB -0.968 38.260 39.000 0.381 0.000 0.999 102 F HN 0.147 nan 8.300 nan 0.000 0.475 103 L N -0.647 120.805 121.223 0.382 0.000 2.127 103 L HA -0.263 4.084 4.340 0.011 0.000 0.211 103 L C 2.350 179.264 176.870 0.073 0.000 1.089 103 L CA 1.278 56.228 54.840 0.184 0.000 0.757 103 L CB -0.866 41.298 42.059 0.175 0.000 0.899 103 L HN 0.211 nan 8.230 nan 0.000 0.434 104 Q N -0.783 119.002 119.800 -0.026 0.000 2.084 104 Q HA -0.148 4.199 4.340 0.011 0.000 0.202 104 Q C 1.621 177.510 176.000 -0.185 0.000 0.978 104 Q CA 1.171 56.861 55.803 -0.188 0.000 0.844 104 Q CB 0.064 28.563 28.738 -0.398 0.000 0.898 104 Q HN 0.566 nan 8.270 nan 0.000 0.426 105 H N -0.239 118.915 119.070 0.139 0.000 2.524 105 H HA 0.167 4.730 4.556 0.012 0.000 0.280 105 H C -0.106 175.311 175.328 0.147 0.000 1.018 105 H CA 0.253 56.386 56.048 0.143 0.000 1.165 105 H CB 0.064 29.925 29.762 0.165 0.000 1.411 105 H HN 0.026 nan 8.280 nan 0.000 0.569 106 K N 2.489 123.001 120.400 0.186 0.000 2.262 106 K HA -0.007 4.320 4.320 0.011 0.000 0.288 106 K C -0.320 176.391 176.600 0.185 0.000 1.090 106 K CA -0.307 56.046 56.287 0.110 0.000 0.918 106 K CB 0.314 32.764 32.500 -0.084 0.000 1.139 106 K HN 0.120 nan 8.250 nan 0.000 0.462 107 D N 2.844 123.337 120.400 0.155 0.000 2.425 107 D HA -0.001 4.645 4.640 0.011 0.000 0.247 107 D C -0.710 175.672 176.300 0.137 0.000 1.147 107 D CA 0.430 54.509 54.000 0.132 0.000 0.879 107 D CB 0.750 41.616 40.800 0.111 0.000 1.179 107 D HN 0.694 nan 8.370 nan 0.000 0.456 108 D N 2.255 122.707 120.400 0.087 0.000 2.193 108 D HA 0.246 4.893 4.640 0.011 0.000 0.244 108 D C 0.627 176.936 176.300 0.015 0.000 1.064 108 D CA -0.590 53.443 54.000 0.054 0.000 0.845 108 D CB 0.092 40.826 40.800 -0.110 0.000 1.148 108 D HN 0.655 nan 8.370 nan 0.000 0.464 109 N N 0.923 119.625 118.700 0.004 0.000 2.727 109 N HA -0.118 4.629 4.740 0.011 0.000 0.251 109 N C -2.046 173.455 175.510 -0.016 0.000 1.040 109 N CA -0.355 52.681 53.050 -0.023 0.000 0.712 109 N CB -0.618 37.859 38.487 -0.017 0.000 0.912 109 N HN 0.465 nan 8.380 nan 0.000 0.545 110 P HA 0.019 nan 4.420 nan 0.000 0.276 110 P C 0.172 177.467 177.300 -0.008 0.000 1.264 110 P CA 0.471 63.574 63.100 0.004 0.000 0.815 110 P CB 0.313 32.018 31.700 0.008 0.000 1.121 111 N N 0.417 119.116 118.700 -0.000 0.000 3.083 111 N HA 0.423 5.170 4.740 0.011 0.000 0.260 111 N C -0.546 174.957 175.510 -0.012 0.000 1.163 111 N CA -0.323 52.723 53.050 -0.006 0.000 1.060 111 N CB -0.800 37.686 38.487 -0.002 0.000 1.345 111 N HN 0.213 nan 8.380 nan 0.000 0.515 112 L N 0.314 121.523 121.223 -0.023 0.000 2.388 112 L HA 0.656 5.003 4.340 0.011 0.000 0.264 112 L C -2.108 174.745 176.870 -0.027 0.000 0.998 112 L CA -1.957 52.866 54.840 -0.028 0.000 0.817 112 L CB 2.354 44.386 42.059 -0.046 0.000 1.338 112 L HN 0.309 nan 8.230 nan 0.000 0.414 113 P HA 0.187 nan 4.420 nan 0.000 0.271 113 P C -0.849 176.442 177.300 -0.015 0.000 1.216 113 P CA -0.631 62.461 63.100 -0.014 0.000 0.776 113 P CB 0.446 32.141 31.700 -0.008 0.000 0.881 114 R N 2.854 123.350 120.500 -0.007 0.000 2.756 114 R HA 0.133 4.480 4.340 0.011 0.000 0.264 114 R C -0.698 175.610 176.300 0.013 0.000 1.026 114 R CA -0.224 55.877 56.100 0.001 0.000 1.121 114 R CB 0.030 30.336 30.300 0.010 0.000 0.999 114 R HN 0.457 nan 8.270 nan 0.000 0.449 115 L N 4.206 125.445 121.223 0.026 0.000 2.283 115 L HA 0.161 4.508 4.340 0.011 0.000 0.287 115 L C 0.140 177.055 176.870 0.075 0.000 1.073 115 L CA -0.847 54.026 54.840 0.056 0.000 0.822 115 L CB 1.446 43.556 42.059 0.085 0.000 1.186 115 L HN 0.553 nan 8.230 nan 0.000 0.436 116 V N 2.828 122.788 119.914 0.077 0.000 2.461 116 V HA 0.342 4.468 4.120 0.011 0.000 0.275 116 V C 0.385 176.547 176.094 0.114 0.000 1.047 116 V CA -0.785 61.561 62.300 0.078 0.000 0.955 116 V CB 1.140 33.000 31.823 0.061 0.000 0.988 116 V HN 0.800 nan 8.190 nan 0.000 0.471 117 R N 5.637 126.197 120.500 0.100 0.000 2.242 117 R HA 0.379 4.726 4.340 0.011 0.000 0.334 117 R C -1.944 174.421 176.300 0.108 0.000 1.071 117 R CA -1.232 54.934 56.100 0.110 0.000 0.922 117 R CB 0.528 30.878 30.300 0.083 0.000 1.023 117 R HN 0.746 nan 8.270 nan 0.000 0.458 118 P HA 0.011 nan 4.420 nan 0.000 0.278 118 P C -0.653 176.704 177.300 0.096 0.000 1.268 118 P CA 0.071 63.245 63.100 0.123 0.000 0.813 118 P CB 0.292 32.091 31.700 0.164 0.000 1.180 119 E N -0.461 119.788 120.200 0.081 0.000 2.227 119 E HA 0.260 4.617 4.350 0.011 0.000 0.282 119 E C 1.261 177.903 176.600 0.070 0.000 1.015 119 E CA -0.508 55.929 56.400 0.061 0.000 0.823 119 E CB -0.007 29.720 29.700 0.044 0.000 1.081 119 E HN 0.242 nan 8.360 nan 0.000 0.396 120 V N 2.450 122.399 119.914 0.059 0.000 2.353 120 V HA -0.370 3.757 4.120 0.011 0.000 0.260 120 V C 1.666 177.799 176.094 0.066 0.000 1.091 120 V CA 2.744 65.081 62.300 0.062 0.000 1.088 120 V CB -0.601 31.235 31.823 0.020 0.000 0.672 120 V HN 0.904 nan 8.190 nan 0.000 0.455 121 D N -0.734 119.692 120.400 0.044 0.000 2.234 121 D HA -0.071 4.575 4.640 0.011 0.000 0.205 121 D C 1.949 178.264 176.300 0.026 0.000 0.962 121 D CA 0.972 54.991 54.000 0.032 0.000 0.855 121 D CB -0.053 40.757 40.800 0.017 0.000 0.951 121 D HN 0.380 nan 8.370 nan 0.000 0.500 122 V N 0.343 120.278 119.914 0.036 0.000 2.407 122 V HA -0.198 3.928 4.120 0.011 0.000 0.245 122 V C 2.282 178.375 176.094 -0.002 0.000 1.041 122 V CA 1.162 63.479 62.300 0.028 0.000 1.040 122 V CB -0.474 31.380 31.823 0.053 0.000 0.671 122 V HN 0.223 nan 8.190 nan 0.000 0.455 123 M N -0.328 119.291 119.600 0.031 0.000 2.084 123 M HA -0.243 4.244 4.480 0.011 0.000 0.259 123 M C 2.531 178.688 176.300 -0.238 0.000 1.072 123 M CA 2.261 57.520 55.300 -0.068 0.000 1.107 123 M CB -0.907 31.827 32.600 0.224 0.000 1.299 123 M HN 0.411 nan 8.290 nan 0.000 0.413 124 c N 0.390 119.008 118.600 0.030 0.000 2.391 124 c HA -0.195 4.382 4.570 0.011 0.000 0.276 124 c C 2.904 177.036 174.090 0.070 0.000 1.217 124 c CA 1.696 58.104 56.329 0.131 0.000 1.766 124 c CB -1.200 41.392 42.510 0.137 0.000 2.046 124 c HN 0.608 nan 8.230 nan 0.000 0.475 125 T N 0.446 114.995 114.554 -0.008 0.000 2.904 125 T HA -0.041 4.316 4.350 0.011 0.000 0.267 125 T C 2.023 176.696 174.700 -0.046 0.000 1.059 125 T CA 1.373 63.462 62.100 -0.017 0.000 1.137 125 T CB -0.300 68.551 68.868 -0.028 0.000 0.879 125 T HN 0.659 nan 8.240 nan 0.000 0.467 126 A N 1.021 123.736 122.820 -0.175 0.000 1.929 126 A HA 0.047 4.374 4.320 0.011 0.000 0.216 126 A C 1.905 179.269 177.584 -0.366 0.000 1.176 126 A CA 0.899 52.778 52.037 -0.264 0.000 0.628 126 A CB -0.855 17.919 19.000 -0.377 0.000 0.816 126 A HN 0.466 nan 8.150 nan 0.000 0.444 127 F N -0.098 119.406 119.950 -0.743 0.000 2.451 127 F HA -0.107 4.427 4.527 0.012 0.000 0.299 127 F C 2.050 177.774 175.800 -0.127 0.000 1.101 127 F CA 1.653 59.341 58.000 -0.521 0.000 1.436 127 F CB -0.240 38.494 39.000 -0.444 0.000 1.074 127 F HN 0.539 nan 8.300 nan 0.000 0.553 128 H N -0.510 118.424 119.070 -0.225 0.000 2.355 128 H HA 0.001 4.564 4.556 0.011 0.000 0.312 128 H C 1.389 176.620 175.328 -0.162 0.000 1.051 128 H CA 1.330 57.243 56.048 -0.225 0.000 1.389 128 H CB -0.322 29.375 29.762 -0.108 0.000 1.455 128 H HN 0.067 nan 8.280 nan 0.000 0.575 129 D N 0.809 121.261 120.400 0.087 0.000 2.265 129 D HA -0.131 4.516 4.640 0.011 0.000 0.208 129 D C 0.198 176.464 176.300 -0.058 0.000 0.977 129 D CA 1.124 55.149 54.000 0.041 0.000 0.871 129 D CB -0.062 40.784 40.800 0.076 0.000 0.925 129 D HN 0.253 nan 8.370 nan 0.000 0.485 130 N N -0.230 118.427 118.700 -0.072 0.000 3.357 130 N HA -0.065 4.682 4.740 0.011 0.000 0.206 130 N C 0.122 175.645 175.510 0.023 0.000 1.458 130 N CA -0.143 52.887 53.050 -0.034 0.000 0.776 130 N CB 0.313 38.810 38.487 0.018 0.000 1.626 130 N HN -0.179 nan 8.380 nan 0.000 0.644 131 E N 1.075 121.245 120.200 -0.051 0.000 2.085 131 E HA -0.179 4.178 4.350 0.011 0.000 0.194 131 E C 0.795 177.503 176.600 0.179 0.000 0.994 131 E CA 1.138 57.558 56.400 0.033 0.000 0.801 131 E CB 0.331 29.926 29.700 -0.175 0.000 0.743 131 E HN 0.611 nan 8.360 nan 0.000 0.453 132 E N -0.535 119.732 120.200 0.112 0.000 2.028 132 E HA -0.157 4.200 4.350 0.011 0.000 0.191 132 E C 2.220 178.913 176.600 0.154 0.000 0.988 132 E CA 1.727 58.204 56.400 0.128 0.000 0.799 132 E CB -0.121 29.638 29.700 0.099 0.000 0.755 132 E HN 0.331 nan 8.360 nan 0.000 0.447 133 T N -0.741 113.905 114.554 0.153 0.000 3.007 133 T HA -0.136 4.221 4.350 0.011 0.000 0.270 133 T C 1.692 176.432 174.700 0.066 0.000 1.107 133 T CA 0.724 62.911 62.100 0.146 0.000 1.118 133 T CB -0.334 68.620 68.868 0.143 0.000 0.889 133 T HN 0.134 nan 8.240 nan 0.000 0.506 134 F N 1.741 121.699 119.950 0.013 0.000 2.098 134 F HA 0.264 4.798 4.527 0.012 0.000 0.294 134 F C 1.782 177.611 175.800 0.049 0.000 1.107 134 F CA 0.866 58.878 58.000 0.020 0.000 1.234 134 F CB -0.498 38.535 39.000 0.056 0.000 1.002 134 F HN 0.128 nan 8.300 nan 0.000 0.472 135 L N 0.034 121.177 121.223 -0.134 0.000 2.156 135 L HA -0.120 4.227 4.340 0.011 0.000 0.208 135 L C 2.380 179.202 176.870 -0.080 0.000 1.095 135 L CA 0.703 55.413 54.840 -0.217 0.000 0.770 135 L CB -0.642 41.424 42.059 0.011 0.000 0.914 135 L HN -0.033 nan 8.230 nan 0.000 0.439 136 K N 0.723 121.139 120.400 0.026 0.000 2.057 136 K HA -0.110 4.217 4.320 0.011 0.000 0.206 136 K C 2.501 179.164 176.600 0.105 0.000 1.050 136 K CA 1.717 58.108 56.287 0.174 0.000 0.935 136 K CB -0.587 32.137 32.500 0.374 0.000 0.715 136 K HN 0.240 nan 8.250 nan 0.000 0.439 137 K N 0.166 120.321 120.400 -0.408 0.000 2.097 137 K HA -0.154 4.173 4.320 0.011 0.000 0.206 137 K C 2.296 178.686 176.600 -0.351 0.000 1.049 137 K CA 1.725 57.454 56.287 -0.929 0.000 0.933 137 K CB -1.043 30.811 32.500 -1.076 0.000 0.717 137 K HN 0.195 nan 8.250 nan 0.000 0.442 138 Y N -0.391 119.719 120.300 -0.317 0.000 2.395 138 Y HA 0.071 4.627 4.550 0.011 0.000 0.293 138 Y C 2.191 177.994 175.900 -0.161 0.000 1.123 138 Y CA 0.892 58.829 58.100 -0.273 0.000 1.227 138 Y CB 0.046 38.215 38.460 -0.486 0.000 1.012 138 Y HN 0.219 nan 8.280 nan 0.000 0.552 139 L N -0.778 120.475 121.223 0.050 0.000 2.056 139 L HA -0.209 4.138 4.340 0.011 0.000 0.207 139 L C 2.257 179.193 176.870 0.109 0.000 1.078 139 L CA 1.761 56.630 54.840 0.048 0.000 0.749 139 L CB -1.160 40.946 42.059 0.079 0.000 0.901 139 L HN 0.367 nan 8.230 nan 0.000 0.433 140 Y N 0.212 120.554 120.300 0.069 0.000 2.181 140 Y HA -0.199 4.358 4.550 0.012 0.000 0.288 140 Y C 2.281 178.220 175.900 0.065 0.000 1.146 140 Y CA 1.997 60.183 58.100 0.143 0.000 1.164 140 Y CB -0.193 38.488 38.460 0.368 0.000 0.982 140 Y HN 0.267 nan 8.280 nan 0.000 0.515 141 E N 0.393 120.589 120.200 -0.007 0.000 2.106 141 E HA -0.154 4.203 4.350 0.011 0.000 0.192 141 E C 2.248 178.756 176.600 -0.155 0.000 0.984 141 E CA 1.236 57.536 56.400 -0.166 0.000 0.806 141 E CB -0.160 29.469 29.700 -0.118 0.000 0.750 141 E HN 0.527 nan 8.360 nan 0.000 0.458 142 I N 0.918 121.443 120.570 -0.076 0.000 2.353 142 I HA -0.126 4.050 4.170 0.011 0.000 0.248 142 I C 2.410 178.510 176.117 -0.030 0.000 1.119 142 I CA 0.774 62.050 61.300 -0.039 0.000 1.417 142 I CB -1.465 36.488 38.000 -0.077 0.000 1.078 142 I HN -0.080 nan 8.210 nan 0.000 0.421 143 A N 2.330 125.111 122.820 -0.066 0.000 1.858 143 A HA -0.220 4.107 4.320 0.011 0.000 0.216 143 A C 2.423 179.960 177.584 -0.078 0.000 1.190 143 A CA 1.900 53.911 52.037 -0.045 0.000 0.617 143 A CB -0.746 18.236 19.000 -0.031 0.000 0.827 143 A HN 0.508 nan 8.150 nan 0.000 0.443 144 R N -0.415 119.976 120.500 -0.181 0.000 2.241 144 R HA -0.083 4.264 4.340 0.011 0.000 0.224 144 R C 1.655 177.871 176.300 -0.141 0.000 1.101 144 R CA 1.591 57.591 56.100 -0.168 0.000 0.995 144 R CB -0.355 29.772 30.300 -0.289 0.000 0.870 144 R HN 0.516 nan 8.270 nan 0.000 0.463 145 R N -0.346 120.036 120.500 -0.197 0.000 2.254 145 R HA 0.097 4.444 4.340 0.011 0.000 0.195 145 R C -0.019 175.999 176.300 -0.469 0.000 0.957 145 R CA 0.531 56.437 56.100 -0.324 0.000 1.024 145 R CB 0.291 30.345 30.300 -0.409 0.000 0.952 145 R HN 0.417 nan 8.270 nan 0.000 0.484 146 H N -0.322 118.736 119.070 -0.020 0.000 2.348 146 H HA 0.189 4.752 4.556 0.011 0.000 0.232 146 H C -2.065 173.327 175.328 0.107 0.000 1.419 146 H CA -1.801 54.281 56.048 0.057 0.000 1.416 146 H CB 1.231 30.984 29.762 -0.016 0.000 1.510 146 H HN -0.029 nan 8.280 nan 0.000 0.507 147 P HA -0.165 nan 4.420 nan 0.000 0.222 147 P C 0.345 177.634 177.300 -0.019 0.000 1.147 147 P CA 1.220 64.345 63.100 0.042 0.000 0.790 147 P CB 0.170 31.878 31.700 0.014 0.000 0.780 148 Y N -2.875 117.478 120.300 0.089 0.000 2.458 148 Y HA 0.270 4.827 4.550 0.012 0.000 0.256 148 Y C 0.723 176.714 175.900 0.151 0.000 1.159 148 Y CA -0.741 57.407 58.100 0.079 0.000 1.261 148 Y CB -0.505 37.983 38.460 0.046 0.000 1.119 148 Y HN -0.162 nan 8.280 nan 0.000 0.524 149 F N 0.683 120.736 119.950 0.172 0.000 2.472 149 F HA 0.114 4.648 4.527 0.011 0.000 0.364 149 F C 0.189 176.078 175.800 0.148 0.000 1.090 149 F CA -1.174 56.919 58.000 0.155 0.000 1.188 149 F CB 0.115 39.185 39.000 0.117 0.000 1.105 149 F HN -0.003 nan 8.300 nan 0.000 0.536 150 Y N 7.042 127.245 120.300 -0.162 0.000 2.815 150 Y HA 0.109 4.666 4.550 0.012 0.000 0.346 150 Y C 1.100 177.058 175.900 0.097 0.000 1.267 150 Y CA -0.165 57.894 58.100 -0.068 0.000 1.604 150 Y CB 0.038 38.406 38.460 -0.152 0.000 1.218 150 Y HN 0.817 nan 8.280 nan 0.000 0.527 151 A N 7.866 130.524 122.820 -0.270 0.000 1.870 151 A HA -0.275 4.052 4.320 0.011 0.000 0.219 151 A C -0.199 177.226 177.584 -0.265 0.000 1.286 151 A CA 2.290 54.193 52.037 -0.224 0.000 0.682 151 A CB -2.029 16.807 19.000 -0.274 0.000 0.844 151 A HN 0.696 nan 8.150 nan 0.000 0.460 152 P HA -0.205 nan 4.420 nan 0.000 0.218 152 P C 1.330 178.604 177.300 -0.042 0.000 1.152 152 P CA 1.936 64.855 63.100 -0.301 0.000 0.857 152 P CB -0.094 31.383 31.700 -0.371 0.000 0.787 153 E N -1.222 119.003 120.200 0.041 0.000 2.347 153 E HA -0.120 4.237 4.350 0.011 0.000 0.196 153 E C 1.656 178.648 176.600 0.652 0.000 1.008 153 E CA 0.503 57.065 56.400 0.270 0.000 0.852 153 E CB -0.804 29.051 29.700 0.259 0.000 0.783 153 E HN 0.064 nan 8.360 nan 0.000 0.505 154 L N -0.180 121.409 121.223 0.610 0.000 2.168 154 L HA 0.150 4.496 4.340 0.011 0.000 0.203 154 L C 1.908 178.977 176.870 0.332 0.000 1.078 154 L CA 0.929 56.123 54.840 0.590 0.000 0.780 154 L CB -0.462 41.820 42.059 0.371 0.000 0.939 154 L HN 0.352 nan 8.230 nan 0.000 0.451 155 L N -1.044 120.298 121.223 0.198 0.000 2.201 155 L HA -0.150 4.196 4.340 0.011 0.000 0.212 155 L C 2.208 179.155 176.870 0.128 0.000 1.105 155 L CA 1.633 56.542 54.840 0.116 0.000 0.775 155 L CB -0.915 41.171 42.059 0.046 0.000 0.913 155 L HN 0.376 nan 8.230 nan 0.000 0.440 156 F N -0.673 119.278 119.950 0.001 0.000 2.146 156 F HA -0.182 4.352 4.527 0.012 0.000 0.298 156 F C 1.870 177.621 175.800 -0.081 0.000 1.096 156 F CA 1.462 59.381 58.000 -0.135 0.000 1.275 156 F CB -0.502 38.264 39.000 -0.390 0.000 1.008 156 F HN 0.074 nan 8.300 nan 0.000 0.480 157 F N 0.721 120.647 119.950 -0.041 0.000 2.186 157 F HA -0.034 4.499 4.527 0.011 0.000 0.299 157 F C 2.627 178.467 175.800 0.067 0.000 1.090 157 F CA 1.259 59.230 58.000 -0.048 0.000 1.307 157 F CB -1.343 37.765 39.000 0.179 0.000 1.019 157 F HN 0.094 nan 8.300 nan 0.000 0.489 158 A N 0.340 123.305 122.820 0.242 0.000 1.892 158 A HA -0.256 4.071 4.320 0.011 0.000 0.218 158 A C 2.293 179.959 177.584 0.136 0.000 1.188 158 A CA 1.957 54.094 52.037 0.166 0.000 0.631 158 A CB -0.691 18.360 19.000 0.085 0.000 0.822 158 A HN 0.314 nan 8.150 nan 0.000 0.447 159 K N -0.902 119.510 120.400 0.020 0.000 2.103 159 K HA -0.154 4.173 4.320 0.011 0.000 0.207 159 K C 2.248 178.822 176.600 -0.043 0.000 1.048 159 K CA 1.545 57.822 56.287 -0.017 0.000 0.930 159 K CB -0.196 32.254 32.500 -0.082 0.000 0.716 159 K HN 0.403 nan 8.250 nan 0.000 0.444 160 R N -0.461 119.950 120.500 -0.149 0.000 2.148 160 R HA -0.090 4.256 4.340 0.011 0.000 0.223 160 R C 2.003 178.252 176.300 -0.085 0.000 1.088 160 R CA 1.110 57.100 56.100 -0.182 0.000 0.985 160 R CB -0.095 30.005 30.300 -0.333 0.000 0.880 160 R HN 0.236 nan 8.270 nan 0.000 0.451 161 Y N 0.426 120.726 120.300 0.000 0.000 2.220 161 Y HA -0.176 4.380 4.550 0.011 0.000 0.291 161 Y C 2.367 178.376 175.900 0.182 0.000 1.129 161 Y CA 1.521 59.671 58.100 0.083 0.000 1.161 161 Y CB -0.010 38.516 38.460 0.109 0.000 0.997 161 Y HN -0.075 nan 8.280 nan 0.000 0.522 162 K N 0.329 120.907 120.400 0.298 0.000 2.103 162 K HA -0.205 4.122 4.320 0.011 0.000 0.207 162 K C 2.126 178.858 176.600 0.220 0.000 1.048 162 K CA 1.296 57.745 56.287 0.271 0.000 0.930 162 K CB -0.266 32.373 32.500 0.232 0.000 0.716 162 K HN 0.260 nan 8.250 nan 0.000 0.444 163 A N 0.822 123.712 122.820 0.117 0.000 1.897 163 A HA 0.001 4.328 4.320 0.011 0.000 0.215 163 A C 2.342 179.929 177.584 0.005 0.000 1.181 163 A CA 1.514 53.591 52.037 0.066 0.000 0.620 163 A CB -0.795 18.209 19.000 0.007 0.000 0.821 163 A HN 0.467 nan 8.150 nan 0.000 0.443 164 A N -1.052 121.714 122.820 -0.090 0.000 1.940 164 A HA -0.027 4.300 4.320 0.011 0.000 0.219 164 A C 1.937 179.316 177.584 -0.343 0.000 1.176 164 A CA 1.592 53.478 52.037 -0.251 0.000 0.631 164 A CB -0.702 18.052 19.000 -0.409 0.000 0.814 164 A HN 0.467 nan 8.150 nan 0.000 0.446 165 F N 0.094 119.892 119.950 -0.255 0.000 2.149 165 F HA -0.070 4.464 4.527 0.011 0.000 0.294 165 F C 2.789 178.513 175.800 -0.127 0.000 1.095 165 F CA 1.758 59.446 58.000 -0.521 0.000 1.276 165 F CB -0.978 37.120 39.000 -1.503 0.000 1.023 165 F HN 0.101 nan 8.300 nan 0.000 0.480 166 T N -0.420 114.321 114.554 0.311 0.000 2.665 166 T HA -0.271 4.086 4.350 0.011 0.000 0.268 166 T C 1.868 176.713 174.700 0.242 0.000 1.035 166 T CA 1.872 64.258 62.100 0.478 0.000 1.151 166 T CB -0.328 68.746 68.868 0.342 0.000 0.862 166 T HN 0.373 nan 8.240 nan 0.000 0.438 167 E N -0.224 120.044 120.200 0.113 0.000 2.008 167 E HA -0.126 4.231 4.350 0.011 0.000 0.191 167 E C 2.429 179.047 176.600 0.030 0.000 0.986 167 E CA 1.354 57.785 56.400 0.052 0.000 0.807 167 E CB -0.249 29.452 29.700 0.002 0.000 0.766 167 E HN 0.454 nan 8.360 nan 0.000 0.450 168 c N 0.732 119.313 118.600 -0.031 0.000 2.425 168 c HA -0.077 4.500 4.570 0.011 0.000 0.277 168 c C 2.582 176.676 174.090 0.007 0.000 1.280 168 c CA 0.248 56.547 56.329 -0.051 0.000 1.744 168 c CB -0.851 41.568 42.510 -0.151 0.000 1.989 168 c HN 0.604 nan 8.230 nan 0.000 0.491 169 c N 1.178 119.824 118.600 0.076 0.000 2.511 169 c HA 0.014 4.591 4.570 0.011 0.000 0.300 169 c C 1.544 175.724 174.090 0.151 0.000 1.436 169 c CA 0.894 57.321 56.329 0.164 0.000 1.628 169 c CB -2.125 40.612 42.510 0.378 0.000 1.599 169 c HN 0.635 nan 8.230 nan 0.000 0.599 170 Q N -0.640 119.220 119.800 0.100 0.000 2.038 170 Q HA 0.311 4.658 4.340 0.011 0.000 0.240 170 Q C -0.220 175.807 176.000 0.044 0.000 0.831 170 Q CA 0.054 55.904 55.803 0.079 0.000 1.068 170 Q CB 0.963 29.756 28.738 0.093 0.000 1.241 170 Q HN 0.521 nan 8.270 nan 0.000 0.435 171 A N -0.044 122.794 122.820 0.030 0.000 2.342 171 A HA 0.756 5.083 4.320 0.011 0.000 0.323 171 A C 1.007 178.596 177.584 0.008 0.000 1.125 171 A CA 0.167 52.212 52.037 0.013 0.000 0.785 171 A CB 1.145 20.146 19.000 0.002 0.000 1.221 171 A HN 0.216 nan 8.150 nan 0.000 0.463 172 A N 1.414 124.237 122.820 0.004 0.000 1.915 172 A HA -0.175 4.152 4.320 0.011 0.000 0.220 172 A C 1.009 178.592 177.584 -0.002 0.000 1.198 172 A CA 2.437 54.475 52.037 0.001 0.000 0.647 172 A CB -0.334 18.666 19.000 -0.000 0.000 0.825 172 A HN 0.748 nan 8.150 nan 0.000 0.456 173 D N -1.057 119.340 120.400 -0.005 0.000 2.590 173 D HA 0.284 4.931 4.640 0.011 0.000 0.280 173 D C 1.046 177.338 176.300 -0.014 0.000 1.197 173 D CA -0.263 53.731 54.000 -0.009 0.000 0.967 173 D CB 0.170 40.964 40.800 -0.010 0.000 0.987 173 D HN 0.373 nan 8.370 nan 0.000 0.508 174 K N 0.959 121.352 120.400 -0.011 0.000 2.000 174 K HA -0.248 4.079 4.320 0.011 0.000 0.218 174 K C 1.952 178.530 176.600 -0.037 0.000 1.053 174 K CA 1.522 57.797 56.287 -0.020 0.000 0.946 174 K CB -0.477 32.020 32.500 -0.004 0.000 0.723 174 K HN 0.301 nan 8.250 nan 0.000 0.446 175 A N 1.924 124.728 122.820 -0.027 0.000 1.929 175 A HA -0.275 4.052 4.320 0.011 0.000 0.221 175 A C 2.511 180.072 177.584 -0.038 0.000 1.211 175 A CA 2.709 54.728 52.037 -0.031 0.000 0.657 175 A CB -1.078 17.913 19.000 -0.015 0.000 0.827 175 A HN 0.494 nan 8.150 nan 0.000 0.462 176 A N -2.093 120.709 122.820 -0.031 0.000 2.125 176 A HA -0.077 4.249 4.320 0.011 0.000 0.219 176 A C 2.274 179.832 177.584 -0.042 0.000 1.156 176 A CA 1.726 53.745 52.037 -0.031 0.000 0.671 176 A CB -1.024 17.963 19.000 -0.022 0.000 0.794 176 A HN 0.811 nan 8.150 nan 0.000 0.459 177 c N -1.874 116.695 118.600 -0.053 0.000 2.823 177 c HA 0.225 4.802 4.570 0.011 0.000 0.284 177 c C 2.246 176.271 174.090 -0.108 0.000 1.358 177 c CA 0.809 57.096 56.329 -0.070 0.000 1.697 177 c CB -1.098 41.374 42.510 -0.063 0.000 2.137 177 c HN 0.490 nan 8.230 nan 0.000 0.564 178 L N 1.389 122.527 121.223 -0.141 0.000 1.951 178 L HA -0.123 4.224 4.340 0.011 0.000 0.222 178 L C 2.399 179.158 176.870 -0.184 0.000 1.078 178 L CA 2.061 56.767 54.840 -0.224 0.000 0.778 178 L CB -1.499 40.408 42.059 -0.253 0.000 0.893 178 L HN 0.418 nan 8.230 nan 0.000 0.436 179 L N -0.489 120.664 121.223 -0.118 0.000 2.030 179 L HA -0.284 4.063 4.340 0.011 0.000 0.222 179 L C -0.364 176.461 176.870 -0.076 0.000 1.082 179 L CA 2.631 57.424 54.840 -0.079 0.000 0.785 179 L CB -1.935 40.097 42.059 -0.045 0.000 0.895 179 L HN 0.281 nan 8.230 nan 0.000 0.439 180 P HA -0.165 nan 4.420 nan 0.000 0.219 180 P C 1.160 178.411 177.300 -0.081 0.000 1.146 180 P CA 1.444 64.508 63.100 -0.060 0.000 0.808 180 P CB 0.003 31.673 31.700 -0.050 0.000 0.779 181 K N -0.743 119.581 120.400 -0.126 0.000 2.098 181 K HA 0.093 4.420 4.320 0.011 0.000 0.203 181 K C 2.006 178.480 176.600 -0.210 0.000 1.051 181 K CA 0.750 56.934 56.287 -0.171 0.000 0.957 181 K CB -0.507 31.860 32.500 -0.222 0.000 0.738 181 K HN 0.145 nan 8.250 nan 0.000 0.447 182 L N 1.236 122.343 121.223 -0.194 0.000 2.275 182 L HA -0.175 4.172 4.340 0.011 0.000 0.215 182 L C 1.192 178.031 176.870 -0.052 0.000 1.119 182 L CA 1.101 55.862 54.840 -0.131 0.000 0.790 182 L CB -0.337 41.688 42.059 -0.055 0.000 0.919 182 L HN 0.179 nan 8.230 nan 0.000 0.443 183 D N -0.069 120.300 120.400 -0.051 0.000 2.162 183 D HA -0.095 4.552 4.640 0.011 0.000 0.205 183 D C 2.379 178.673 176.300 -0.009 0.000 0.964 183 D CA 1.277 55.268 54.000 -0.015 0.000 0.847 183 D CB 0.170 40.963 40.800 -0.011 0.000 0.988 183 D HN 0.329 nan 8.370 nan 0.000 0.480 184 E N 0.670 120.853 120.200 -0.028 0.000 2.028 184 E HA -0.111 4.246 4.350 0.011 0.000 0.191 184 E C 1.964 178.575 176.600 0.018 0.000 0.988 184 E CA 0.799 57.200 56.400 0.000 0.000 0.799 184 E CB -0.934 28.760 29.700 -0.010 0.000 0.755 184 E HN 0.057 nan 8.360 nan 0.000 0.447 185 L N 0.623 121.814 121.223 -0.053 0.000 2.042 185 L HA -0.109 4.238 4.340 0.011 0.000 0.210 185 L C 2.688 179.570 176.870 0.020 0.000 1.076 185 L CA 2.296 57.112 54.840 -0.039 0.000 0.749 185 L CB -0.734 41.067 42.059 -0.430 0.000 0.893 185 L HN 0.460 nan 8.230 nan 0.000 0.432 186 R N -0.368 120.151 120.500 0.030 0.000 2.083 186 R HA -0.186 4.161 4.340 0.011 0.000 0.237 186 R C 1.863 178.166 176.300 0.006 0.000 1.137 186 R CA 1.886 58.011 56.100 0.040 0.000 0.951 186 R CB -0.327 30.010 30.300 0.061 0.000 0.851 186 R HN 0.352 nan 8.270 nan 0.000 0.434 187 D N 0.382 120.803 120.400 0.035 0.000 2.144 187 D HA -0.138 4.509 4.640 0.011 0.000 0.199 187 D C 1.739 178.091 176.300 0.087 0.000 0.984 187 D CA 1.152 55.186 54.000 0.057 0.000 0.834 187 D CB -0.031 40.808 40.800 0.066 0.000 0.955 187 D HN 0.447 nan 8.370 nan 0.000 0.465 188 E N 0.005 120.277 120.200 0.121 0.000 2.072 188 E HA -0.072 4.285 4.350 0.011 0.000 0.190 188 E C 2.143 178.818 176.600 0.127 0.000 0.982 188 E CA 0.791 57.331 56.400 0.233 0.000 0.803 188 E CB -0.114 29.838 29.700 0.419 0.000 0.755 188 E HN 0.223 nan 8.360 nan 0.000 0.453 189 G N 1.473 110.130 108.800 -0.238 0.000 2.422 189 G HA2 -0.250 3.717 3.960 0.011 0.000 0.218 189 G HA3 -0.250 3.717 3.960 0.011 0.000 0.218 189 G C 1.513 176.292 174.900 -0.202 0.000 1.146 189 G CA 0.455 45.169 45.100 -0.642 0.000 0.769 189 G HN 0.073 nan 8.290 nan 0.000 0.547 190 K N 0.451 120.793 120.400 -0.097 0.000 2.155 190 K HA 0.093 4.420 4.320 0.011 0.000 0.203 190 K C 2.924 179.563 176.600 0.065 0.000 1.052 190 K CA 0.842 57.121 56.287 -0.013 0.000 0.948 190 K CB -0.123 32.384 32.500 0.012 0.000 0.728 190 K HN 0.279 nan 8.250 nan 0.000 0.448 191 A N 1.160 124.040 122.820 0.101 0.000 1.855 191 A HA -0.173 4.154 4.320 0.011 0.000 0.215 191 A C 2.251 179.920 177.584 0.142 0.000 1.191 191 A CA 2.048 54.166 52.037 0.134 0.000 0.613 191 A CB -0.823 18.284 19.000 0.178 0.000 0.829 191 A HN 0.319 nan 8.150 nan 0.000 0.442 192 S N -0.396 115.427 115.700 0.205 0.000 2.359 192 S HA -0.220 4.257 4.470 0.011 0.000 0.223 192 S C 2.326 177.030 174.600 0.173 0.000 1.039 192 S CA 2.407 60.753 58.200 0.242 0.000 1.042 192 S CB -0.660 62.826 63.200 0.477 0.000 0.915 192 S HN 0.615 nan 8.310 nan 0.000 0.439 193 S N 0.735 116.596 115.700 0.269 0.000 2.359 193 S HA -0.029 4.448 4.470 0.011 0.000 0.224 193 S C 2.138 176.817 174.600 0.132 0.000 1.035 193 S CA 1.560 59.914 58.200 0.257 0.000 1.018 193 S CB -0.957 62.392 63.200 0.248 0.000 0.876 193 S HN 0.795 nan 8.310 nan 0.000 0.448 194 A N 0.844 123.726 122.820 0.104 0.000 1.972 194 A HA -0.064 4.263 4.320 0.011 0.000 0.219 194 A C 2.122 179.732 177.584 0.043 0.000 1.169 194 A CA 1.607 53.686 52.037 0.070 0.000 0.635 194 A CB -0.498 18.540 19.000 0.063 0.000 0.810 194 A HN 0.601 nan 8.150 nan 0.000 0.446 195 K N -0.507 119.918 120.400 0.041 0.000 2.002 195 K HA -0.172 4.155 4.320 0.011 0.000 0.209 195 K C 2.401 179.003 176.600 0.003 0.000 1.048 195 K CA 1.758 58.051 56.287 0.011 0.000 0.930 195 K CB -0.225 32.285 32.500 0.017 0.000 0.714 195 K HN 0.622 nan 8.250 nan 0.000 0.438 196 Q N -0.164 119.637 119.800 0.001 0.000 2.030 196 Q HA -0.230 4.117 4.340 0.011 0.000 0.204 196 Q C 2.512 178.519 176.000 0.013 0.000 0.986 196 Q CA 2.157 57.951 55.803 -0.015 0.000 0.843 196 Q CB -0.360 28.336 28.738 -0.070 0.000 0.904 196 Q HN 0.345 nan 8.270 nan 0.000 0.420 197 R N 0.960 121.475 120.500 0.026 0.000 2.127 197 R HA -0.113 4.233 4.340 0.011 0.000 0.238 197 R C 2.019 178.325 176.300 0.009 0.000 1.134 197 R CA 1.616 57.727 56.100 0.018 0.000 0.975 197 R CB -1.423 28.895 30.300 0.030 0.000 0.865 197 R HN 0.309 nan 8.270 nan 0.000 0.447 198 L N 0.531 121.758 121.223 0.007 0.000 2.291 198 L HA 0.029 4.376 4.340 0.011 0.000 0.214 198 L C 1.796 178.658 176.870 -0.013 0.000 1.120 198 L CA 1.858 56.694 54.840 -0.007 0.000 0.799 198 L CB -0.004 42.038 42.059 -0.028 0.000 0.925 198 L HN 0.394 nan 8.230 nan 0.000 0.446 199 K N -1.818 118.590 120.400 0.014 0.000 2.211 199 K HA 0.026 4.353 4.320 0.011 0.000 0.201 199 K C 1.994 178.656 176.600 0.103 0.000 1.052 199 K CA 1.055 57.390 56.287 0.079 0.000 0.973 199 K CB -0.313 32.308 32.500 0.201 0.000 0.766 199 K HN 0.330 nan 8.250 nan 0.000 0.466 200 c N 1.147 119.779 118.600 0.052 0.000 2.448 200 c HA 0.056 4.633 4.570 0.011 0.000 0.280 200 c C 2.799 176.886 174.090 -0.004 0.000 1.398 200 c CA 0.603 56.936 56.329 0.006 0.000 1.774 200 c CB -0.794 41.713 42.510 -0.005 0.000 1.888 200 c HN 0.509 nan 8.230 nan 0.000 0.519 201 A N 0.789 123.618 122.820 0.016 0.000 1.840 201 A HA -0.088 4.238 4.320 0.011 0.000 0.214 201 A C 2.277 179.912 177.584 0.085 0.000 1.198 201 A CA 2.042 54.094 52.037 0.026 0.000 0.608 201 A CB -0.945 18.076 19.000 0.035 0.000 0.839 201 A HN 0.487 nan 8.150 nan 0.000 0.443 202 S N -0.130 115.652 115.700 0.136 0.000 2.359 202 S HA -0.213 4.264 4.470 0.011 0.000 0.223 202 S C 1.921 176.683 174.600 0.270 0.000 1.039 202 S CA 1.612 59.976 58.200 0.273 0.000 1.042 202 S CB -0.669 62.596 63.200 0.108 0.000 0.915 202 S HN 0.476 nan 8.310 nan 0.000 0.439 203 L N 1.311 122.604 121.223 0.118 0.000 1.990 203 L HA -0.311 4.036 4.340 0.011 0.000 0.213 203 L C 3.193 180.049 176.870 -0.023 0.000 1.072 203 L CA 2.343 57.143 54.840 -0.066 0.000 0.755 203 L CB -0.943 40.899 42.059 -0.361 0.000 0.889 203 L HN 0.522 nan 8.230 nan 0.000 0.432 204 Q N -0.135 119.647 119.800 -0.030 0.000 2.020 204 Q HA -0.276 4.071 4.340 0.011 0.000 0.202 204 Q C 2.179 178.135 176.000 -0.074 0.000 0.982 204 Q CA 2.111 57.884 55.803 -0.049 0.000 0.838 204 Q CB -0.752 27.953 28.738 -0.055 0.000 0.899 204 Q HN 0.555 nan 8.270 nan 0.000 0.423 205 K N -0.663 119.673 120.400 -0.107 0.000 1.973 205 K HA -0.027 4.300 4.320 0.011 0.000 0.212 205 K C 1.687 178.029 176.600 -0.430 0.000 1.047 205 K CA 1.544 57.618 56.287 -0.355 0.000 0.937 205 K CB -0.255 31.878 32.500 -0.612 0.000 0.721 205 K HN 0.545 nan 8.250 nan 0.000 0.440 206 F N 1.215 121.173 119.950 0.013 0.000 2.664 206 F HA 0.231 4.765 4.527 0.011 0.000 0.301 206 F C 1.251 177.076 175.800 0.042 0.000 1.126 206 F CA 0.043 58.061 58.000 0.030 0.000 1.373 206 F CB -0.577 38.448 39.000 0.042 0.000 1.042 206 F HN 0.216 nan 8.300 nan 0.000 0.535 207 G N 0.742 109.620 108.800 0.130 0.000 2.907 207 G HA2 -0.331 3.636 3.960 0.011 0.000 0.242 207 G HA3 -0.331 3.636 3.960 0.011 0.000 0.242 207 G C 0.775 175.755 174.900 0.133 0.000 1.448 207 G CA 0.209 45.365 45.100 0.093 0.000 0.911 207 G HN 0.374 nan 8.290 nan 0.000 0.553 208 E N -0.470 119.783 120.200 0.089 0.000 2.085 208 E HA -0.174 4.183 4.350 0.011 0.000 0.194 208 E C 2.660 179.374 176.600 0.191 0.000 0.994 208 E CA 1.165 57.638 56.400 0.121 0.000 0.801 208 E CB -0.084 29.657 29.700 0.068 0.000 0.743 208 E HN 0.481 nan 8.360 nan 0.000 0.453 209 R N 0.009 120.601 120.500 0.153 0.000 2.097 209 R HA -0.204 4.143 4.340 0.011 0.000 0.236 209 R C 2.232 178.635 176.300 0.173 0.000 1.135 209 R CA 1.551 57.742 56.100 0.151 0.000 0.934 209 R CB -0.374 30.002 30.300 0.126 0.000 0.846 209 R HN 0.175 nan 8.270 nan 0.000 0.431 210 A N 0.155 123.088 122.820 0.188 0.000 1.902 210 A HA -0.194 4.133 4.320 0.011 0.000 0.217 210 A C 2.027 179.736 177.584 0.209 0.000 1.181 210 A CA 1.258 53.396 52.037 0.169 0.000 0.623 210 A CB -0.756 18.336 19.000 0.153 0.000 0.818 210 A HN 0.474 nan 8.150 nan 0.000 0.443 211 F N 0.712 120.716 119.950 0.089 0.000 2.069 211 F HA -0.186 4.347 4.527 0.011 0.000 0.298 211 F C 2.257 178.130 175.800 0.121 0.000 1.113 211 F CA 2.275 60.322 58.000 0.078 0.000 1.214 211 F CB -0.146 38.867 39.000 0.022 0.000 0.978 211 F HN 0.118 nan 8.300 nan 0.000 0.474 212 K N -0.057 120.501 120.400 0.264 0.000 2.057 212 K HA -0.174 4.153 4.320 0.011 0.000 0.207 212 K C 2.294 178.935 176.600 0.067 0.000 1.049 212 K CA 1.198 57.571 56.287 0.144 0.000 0.931 212 K CB -0.592 32.000 32.500 0.153 0.000 0.714 212 K HN 0.355 nan 8.250 nan 0.000 0.440 213 A N 0.781 123.658 122.820 0.095 0.000 1.883 213 A HA -0.219 4.108 4.320 0.011 0.000 0.217 213 A C 1.934 179.511 177.584 -0.012 0.000 1.186 213 A CA 1.507 53.580 52.037 0.061 0.000 0.624 213 A CB -0.981 18.067 19.000 0.080 0.000 0.822 213 A HN 0.569 nan 8.150 nan 0.000 0.444 214 W N 0.376 121.576 121.300 -0.166 0.000 2.335 214 W HA -0.152 4.513 4.660 0.009 0.000 0.311 214 W C 2.602 178.951 176.519 -0.284 0.000 1.213 214 W CA 2.479 59.675 57.345 -0.247 0.000 1.274 214 W CB -0.293 28.959 29.460 -0.348 0.000 1.148 214 W HN 0.366 nan 8.180 nan 0.000 0.498 215 A N -0.559 122.168 122.820 -0.156 0.000 1.933 215 A HA -0.177 4.150 4.320 0.011 0.000 0.218 215 A C 2.019 179.463 177.584 -0.233 0.000 1.175 215 A CA 2.147 54.045 52.037 -0.231 0.000 0.628 215 A CB -1.221 17.668 19.000 -0.185 0.000 0.814 215 A HN 0.175 nan 8.150 nan 0.000 0.444 216 V N -0.156 119.668 119.914 -0.150 0.000 2.233 216 V HA -0.293 3.833 4.120 0.011 0.000 0.247 216 V C 3.099 179.107 176.094 -0.143 0.000 1.050 216 V CA 2.149 64.399 62.300 -0.083 0.000 1.010 216 V CB -1.260 30.576 31.823 0.021 0.000 0.637 216 V HN 0.631 nan 8.190 nan 0.000 0.444 217 A N -0.112 122.564 122.820 -0.241 0.000 1.908 217 A HA -0.300 4.027 4.320 0.011 0.000 0.218 217 A C 2.283 179.627 177.584 -0.401 0.000 1.181 217 A CA 2.427 54.278 52.037 -0.309 0.000 0.627 217 A CB -0.571 18.200 19.000 -0.383 0.000 0.818 217 A HN 0.463 nan 8.150 nan 0.000 0.445 218 R N -0.170 119.980 120.500 -0.584 0.000 2.066 218 R HA 0.061 4.408 4.340 0.011 0.000 0.232 218 R C 1.948 177.991 176.300 -0.428 0.000 1.131 218 R CA 1.498 57.239 56.100 -0.598 0.000 0.955 218 R CB -0.781 29.008 30.300 -0.850 0.000 0.851 218 R HN 0.518 nan 8.270 nan 0.000 0.432 219 L N -0.163 120.857 121.223 -0.338 0.000 2.093 219 L HA -0.122 4.225 4.340 0.011 0.000 0.208 219 L C 2.120 178.852 176.870 -0.230 0.000 1.085 219 L CA 1.476 56.138 54.840 -0.296 0.000 0.755 219 L CB -0.273 41.730 42.059 -0.094 0.000 0.904 219 L HN 0.224 nan 8.230 nan 0.000 0.435 220 S N -0.841 114.786 115.700 -0.122 0.000 2.387 220 S HA -0.195 4.281 4.470 0.011 0.000 0.226 220 S C 1.870 176.376 174.600 -0.156 0.000 1.026 220 S CA 0.939 59.115 58.200 -0.039 0.000 0.972 220 S CB -0.138 63.057 63.200 -0.010 0.000 0.814 220 S HN 0.423 nan 8.310 nan 0.000 0.477 221 Q N 0.610 120.271 119.800 -0.232 0.000 2.124 221 Q HA -0.037 4.310 4.340 0.011 0.000 0.202 221 Q C 2.412 178.269 176.000 -0.238 0.000 0.977 221 Q CA 1.136 56.799 55.803 -0.234 0.000 0.850 221 Q CB -0.058 28.528 28.738 -0.253 0.000 0.901 221 Q HN 0.429 nan 8.270 nan 0.000 0.429 222 R N -0.756 119.530 120.500 -0.356 0.000 2.093 222 R HA -0.011 4.336 4.340 0.011 0.000 0.224 222 R C 0.147 176.287 176.300 -0.267 0.000 1.101 222 R CA 0.584 56.410 56.100 -0.456 0.000 0.979 222 R CB 0.334 30.121 30.300 -0.854 0.000 0.877 222 R HN 0.102 nan 8.270 nan 0.000 0.441 223 F N 1.186 121.109 119.950 -0.044 0.000 2.532 223 F HA 0.318 4.853 4.527 0.012 0.000 0.313 223 F C -1.690 174.108 175.800 -0.003 0.000 1.301 223 F CA -3.396 54.595 58.000 -0.015 0.000 1.154 223 F CB 0.784 39.790 39.000 0.009 0.000 1.335 223 F HN -0.115 nan 8.300 nan 0.000 0.542 224 P HA -0.191 nan 4.420 nan 0.000 0.216 224 P C 1.330 178.661 177.300 0.051 0.000 1.150 224 P CA 1.466 64.565 63.100 -0.001 0.000 0.837 224 P CB 0.444 32.097 31.700 -0.078 0.000 0.786 225 K N -0.241 120.206 120.400 0.078 0.000 2.283 225 K HA 0.080 4.407 4.320 0.011 0.000 0.202 225 K C 1.371 178.040 176.600 0.115 0.000 1.048 225 K CA 0.415 56.745 56.287 0.071 0.000 0.948 225 K CB -0.579 31.946 32.500 0.042 0.000 0.742 225 K HN 0.121 nan 8.250 nan 0.000 0.458 226 A N 1.221 124.138 122.820 0.162 0.000 2.455 226 A HA 0.345 4.672 4.320 0.011 0.000 0.244 226 A C 0.233 177.966 177.584 0.248 0.000 1.099 226 A CA 0.434 52.568 52.037 0.161 0.000 0.786 226 A CB -0.087 19.029 19.000 0.193 0.000 1.051 226 A HN 0.338 nan 8.150 nan 0.000 0.508 227 E N -0.862 119.426 120.200 0.146 0.000 2.227 227 E HA 0.535 4.892 4.350 0.011 0.000 0.268 227 E C 0.243 176.747 176.600 -0.160 0.000 0.907 227 E CA -0.312 56.151 56.400 0.106 0.000 0.786 227 E CB 0.636 30.384 29.700 0.080 0.000 1.191 227 E HN 0.963 nan 8.360 nan 0.000 0.411 228 F N 1.603 121.134 119.950 -0.698 0.000 2.111 228 F HA -0.236 4.298 4.527 0.011 0.000 0.300 228 F C 2.417 178.041 175.800 -0.294 0.000 1.088 228 F CA 3.142 60.673 58.000 -0.781 0.000 1.243 228 F CB -0.322 38.270 39.000 -0.681 0.000 0.996 228 F HN 0.640 nan 8.300 nan 0.000 0.483 229 A N -0.771 121.961 122.820 -0.147 0.000 1.933 229 A HA -0.213 4.114 4.320 0.011 0.000 0.218 229 A C 2.059 179.543 177.584 -0.168 0.000 1.175 229 A CA 1.867 53.827 52.037 -0.128 0.000 0.628 229 A CB -0.750 18.250 19.000 -0.000 0.000 0.814 229 A HN 0.442 nan 8.150 nan 0.000 0.444 230 E N -0.348 119.778 120.200 -0.122 0.000 2.046 230 E HA -0.057 4.300 4.350 0.011 0.000 0.190 230 E C 1.992 178.530 176.600 -0.104 0.000 0.982 230 E CA 1.146 57.514 56.400 -0.054 0.000 0.800 230 E CB -0.373 29.327 29.700 0.001 0.000 0.756 230 E HN 0.243 nan 8.360 nan 0.000 0.449 231 V N 0.631 120.436 119.914 -0.182 0.000 2.233 231 V HA -0.322 3.805 4.120 0.011 0.000 0.247 231 V C 2.229 178.158 176.094 -0.274 0.000 1.050 231 V CA 2.207 64.403 62.300 -0.174 0.000 1.010 231 V CB -0.891 30.805 31.823 -0.213 0.000 0.637 231 V HN 0.278 nan 8.190 nan 0.000 0.444 232 S N -0.475 114.906 115.700 -0.532 0.000 2.383 232 S HA -0.266 4.211 4.470 0.011 0.000 0.229 232 S C 1.949 176.416 174.600 -0.221 0.000 1.030 232 S CA 1.535 59.479 58.200 -0.428 0.000 1.002 232 S CB -0.384 62.483 63.200 -0.554 0.000 0.829 232 S HN 0.493 nan 8.310 nan 0.000 0.467 233 K N 1.567 121.849 120.400 -0.197 0.000 1.987 233 K HA -0.084 4.243 4.320 0.011 0.000 0.216 233 K C 2.095 178.599 176.600 -0.160 0.000 1.051 233 K CA 1.509 57.702 56.287 -0.158 0.000 0.942 233 K CB -0.664 31.755 32.500 -0.135 0.000 0.722 233 K HN 0.385 nan 8.250 nan 0.000 0.444 234 L N 0.728 121.878 121.223 -0.123 0.000 2.079 234 L HA -0.184 4.163 4.340 0.011 0.000 0.210 234 L C 2.510 179.361 176.870 -0.032 0.000 1.081 234 L CA 0.782 55.582 54.840 -0.068 0.000 0.752 234 L CB -0.536 41.547 42.059 0.039 0.000 0.896 234 L HN -0.043 nan 8.230 nan 0.000 0.433 235 V N -0.560 119.326 119.914 -0.045 0.000 2.490 235 V HA -0.270 3.857 4.120 0.011 0.000 0.250 235 V C 2.515 178.618 176.094 0.015 0.000 1.061 235 V CA 2.243 64.533 62.300 -0.017 0.000 1.064 235 V CB -0.669 31.126 31.823 -0.047 0.000 0.670 235 V HN 0.491 nan 8.190 nan 0.000 0.461 236 T N -0.487 114.053 114.554 -0.023 0.000 2.732 236 T HA -0.138 4.218 4.350 0.011 0.000 0.261 236 T C 1.659 176.358 174.700 -0.001 0.000 1.040 236 T CA 1.547 63.642 62.100 -0.008 0.000 1.145 236 T CB -0.320 68.524 68.868 -0.040 0.000 0.866 236 T HN 0.459 nan 8.240 nan 0.000 0.427 237 D N 1.165 121.541 120.400 -0.040 0.000 2.144 237 D HA -0.012 4.635 4.640 0.011 0.000 0.199 237 D C 2.078 178.399 176.300 0.035 0.000 0.984 237 D CA 0.461 54.440 54.000 -0.036 0.000 0.834 237 D CB -0.426 40.306 40.800 -0.112 0.000 0.955 237 D HN 0.219 nan 8.370 nan 0.000 0.465 238 L N 0.679 121.945 121.223 0.071 0.000 2.046 238 L HA -0.167 4.180 4.340 0.011 0.000 0.208 238 L C 2.074 179.097 176.870 0.255 0.000 1.077 238 L CA 1.315 56.258 54.840 0.171 0.000 0.747 238 L CB -0.393 41.751 42.059 0.142 0.000 0.896 238 L HN 0.071 nan 8.230 nan 0.000 0.432 239 T N -1.094 113.582 114.554 0.203 0.000 2.867 239 T HA -0.197 4.160 4.350 0.011 0.000 0.268 239 T C 1.998 176.742 174.700 0.073 0.000 1.057 239 T CA 1.478 63.694 62.100 0.194 0.000 1.136 239 T CB -0.072 68.901 68.868 0.175 0.000 0.874 239 T HN 0.203 nan 8.240 nan 0.000 0.466 240 K N 0.912 121.349 120.400 0.062 0.000 2.031 240 K HA -0.022 4.305 4.320 0.011 0.000 0.205 240 K C 2.362 178.982 176.600 0.033 0.000 1.049 240 K CA 1.056 57.357 56.287 0.024 0.000 0.939 240 K CB -1.043 31.462 32.500 0.008 0.000 0.717 240 K HN 0.310 nan 8.250 nan 0.000 0.438 241 V N 1.445 121.400 119.914 0.067 0.000 2.219 241 V HA -0.294 3.833 4.120 0.011 0.000 0.248 241 V C 2.600 178.711 176.094 0.028 0.000 1.053 241 V CA 2.439 64.763 62.300 0.040 0.000 1.009 241 V CB -0.836 31.018 31.823 0.051 0.000 0.636 241 V HN 0.647 nan 8.190 nan 0.000 0.445 242 H N -0.196 118.864 119.070 -0.016 0.000 2.353 242 H HA -0.186 4.377 4.556 0.012 0.000 0.298 242 H C 2.484 177.749 175.328 -0.104 0.000 1.103 242 H CA 2.067 58.087 56.048 -0.048 0.000 1.293 242 H CB -0.346 29.410 29.762 -0.009 0.000 1.372 242 H HN 0.438 nan 8.280 nan 0.000 0.501 243 T N 0.020 114.570 114.554 -0.007 0.000 2.635 243 T HA -0.213 4.144 4.350 0.011 0.000 0.267 243 T C 2.106 176.816 174.700 0.017 0.000 1.040 243 T CA 1.830 63.905 62.100 -0.041 0.000 1.156 243 T CB -0.343 68.494 68.868 -0.052 0.000 0.863 243 T HN 0.347 nan 8.240 nan 0.000 0.430 244 E N -0.299 119.905 120.200 0.006 0.000 2.077 244 E HA -0.150 4.207 4.350 0.011 0.000 0.193 244 E C 2.500 179.128 176.600 0.047 0.000 0.989 244 E CA 1.228 57.637 56.400 0.014 0.000 0.800 244 E CB -0.769 28.924 29.700 -0.012 0.000 0.746 244 E HN 0.751 nan 8.360 nan 0.000 0.452 245 c N -0.360 118.232 118.600 -0.013 0.000 2.440 245 c HA -0.040 4.537 4.570 0.011 0.000 0.278 245 c C 2.894 177.007 174.090 0.039 0.000 1.295 245 c CA 0.577 56.881 56.329 -0.041 0.000 1.738 245 c CB -1.301 41.087 42.510 -0.203 0.000 1.987 245 c HN 0.688 nan 8.230 nan 0.000 0.492 246 c N -0.721 117.908 118.600 0.048 0.000 2.425 246 c HA -0.148 4.428 4.570 0.011 0.000 0.277 246 c C 2.718 176.913 174.090 0.174 0.000 1.280 246 c CA 0.947 57.330 56.329 0.091 0.000 1.744 246 c CB -1.787 40.743 42.510 0.033 0.000 1.989 246 c HN 0.675 nan 8.230 nan 0.000 0.491 247 H N 0.365 119.480 119.070 0.075 0.000 2.460 247 H HA -0.095 4.467 4.556 0.011 0.000 0.297 247 H C 1.969 177.396 175.328 0.165 0.000 1.103 247 H CA 1.824 57.933 56.048 0.101 0.000 1.292 247 H CB -0.243 29.551 29.762 0.054 0.000 1.376 247 H HN 0.603 nan 8.280 nan 0.000 0.531 248 G N 0.657 109.577 108.800 0.201 0.000 2.176 248 G HA2 -0.233 3.734 3.960 0.011 0.000 0.232 248 G HA3 -0.233 3.734 3.960 0.011 0.000 0.232 248 G C 0.024 174.898 174.900 -0.044 0.000 0.986 248 G CA 0.318 45.390 45.100 -0.046 0.000 0.643 248 G HN 0.526 nan 8.290 nan 0.000 0.522 249 D N 0.991 121.469 120.400 0.130 0.000 2.402 249 D HA 0.337 4.984 4.640 0.011 0.000 0.235 249 D C 1.713 178.057 176.300 0.074 0.000 1.226 249 D CA -0.381 53.705 54.000 0.142 0.000 0.918 249 D CB 0.749 41.676 40.800 0.212 0.000 1.043 249 D HN 0.159 nan 8.370 nan 0.000 0.506 250 L N 5.382 126.610 121.223 0.009 0.000 2.012 250 L HA -0.189 4.158 4.340 0.011 0.000 0.210 250 L C 1.929 178.799 176.870 0.000 0.000 1.073 250 L CA 1.718 56.564 54.840 0.010 0.000 0.748 250 L CB -0.401 41.602 42.059 -0.094 0.000 0.891 250 L HN 0.503 nan 8.230 nan 0.000 0.431 251 L N -0.790 120.363 121.223 -0.117 0.000 1.970 251 L HA -0.195 4.152 4.340 0.011 0.000 0.212 251 L C 2.760 179.660 176.870 0.051 0.000 1.071 251 L CA 1.470 56.239 54.840 -0.119 0.000 0.751 251 L CB -0.872 40.933 42.059 -0.423 0.000 0.889 251 L HN 0.315 nan 8.230 nan 0.000 0.432 252 E N -0.365 119.920 120.200 0.141 0.000 2.038 252 E HA -0.295 4.061 4.350 0.011 0.000 0.195 252 E C 2.262 178.902 176.600 0.066 0.000 1.000 252 E CA 1.736 58.209 56.400 0.123 0.000 0.803 252 E CB -0.774 28.986 29.700 0.100 0.000 0.750 252 E HN 0.573 nan 8.360 nan 0.000 0.448 253 c N 0.988 119.621 118.600 0.056 0.000 2.413 253 c HA -0.102 4.475 4.570 0.011 0.000 0.277 253 c C 2.855 176.960 174.090 0.025 0.000 1.265 253 c CA 1.419 57.753 56.329 0.008 0.000 1.752 253 c CB -1.012 41.492 42.510 -0.010 0.000 1.998 253 c HN 0.451 nan 8.230 nan 0.000 0.489 254 A N 0.306 123.201 122.820 0.125 0.000 1.855 254 A HA -0.130 4.197 4.320 0.011 0.000 0.215 254 A C 1.940 179.583 177.584 0.099 0.000 1.191 254 A CA 2.181 54.326 52.037 0.180 0.000 0.613 254 A CB -0.903 18.184 19.000 0.144 0.000 0.829 254 A HN 0.606 nan 8.150 nan 0.000 0.442 255 D N 0.308 120.754 120.400 0.076 0.000 2.106 255 D HA -0.146 4.501 4.640 0.011 0.000 0.191 255 D C 1.464 177.796 176.300 0.055 0.000 0.997 255 D CA 1.604 55.646 54.000 0.069 0.000 0.834 255 D CB -0.470 40.375 40.800 0.075 0.000 0.956 255 D HN 0.375 nan 8.370 nan 0.000 0.448 256 D N -0.013 120.410 120.400 0.038 0.000 2.149 256 D HA -0.122 4.525 4.640 0.011 0.000 0.198 256 D C 2.187 178.497 176.300 0.017 0.000 0.990 256 D CA 0.746 54.758 54.000 0.020 0.000 0.839 256 D CB -0.143 40.658 40.800 0.003 0.000 0.948 256 D HN 0.182 nan 8.370 nan 0.000 0.460 257 R N 0.290 120.794 120.500 0.006 0.000 2.073 257 R HA 0.050 4.396 4.340 0.011 0.000 0.229 257 R C 2.289 178.616 176.300 0.045 0.000 1.120 257 R CA 1.072 57.174 56.100 0.004 0.000 0.967 257 R CB -0.194 30.086 30.300 -0.035 0.000 0.862 257 R HN 0.102 nan 8.270 nan 0.000 0.436 258 A N 1.429 124.286 122.820 0.062 0.000 1.883 258 A HA -0.218 4.108 4.320 0.011 0.000 0.217 258 A C 1.533 179.159 177.584 0.069 0.000 1.186 258 A CA 1.921 53.999 52.037 0.068 0.000 0.624 258 A CB -0.460 18.583 19.000 0.070 0.000 0.822 258 A HN 0.175 nan 8.150 nan 0.000 0.444 259 D N -0.501 119.939 120.400 0.067 0.000 2.084 259 D HA -0.133 4.514 4.640 0.011 0.000 0.194 259 D C 1.837 178.194 176.300 0.093 0.000 0.990 259 D CA 1.301 55.346 54.000 0.075 0.000 0.826 259 D CB -0.502 40.332 40.800 0.058 0.000 0.971 259 D HN 0.294 nan 8.370 nan 0.000 0.453 260 L N 0.815 122.080 121.223 0.070 0.000 2.079 260 L HA -0.098 4.249 4.340 0.011 0.000 0.210 260 L C 2.035 178.980 176.870 0.124 0.000 1.081 260 L CA 1.651 56.539 54.840 0.079 0.000 0.752 260 L CB -0.885 41.201 42.059 0.046 0.000 0.896 260 L HN -0.018 nan 8.230 nan 0.000 0.433 261 A N -0.406 122.470 122.820 0.093 0.000 1.873 261 A HA -0.155 4.172 4.320 0.011 0.000 0.215 261 A C 2.593 180.225 177.584 0.079 0.000 1.186 261 A CA 2.536 54.622 52.037 0.081 0.000 0.616 261 A CB -0.974 18.065 19.000 0.065 0.000 0.823 261 A HN 0.423 nan 8.150 nan 0.000 0.442 262 K N -0.969 119.481 120.400 0.083 0.000 2.032 262 K HA -0.217 4.110 4.320 0.011 0.000 0.209 262 K C 2.015 178.649 176.600 0.058 0.000 1.048 262 K CA 1.887 58.212 56.287 0.063 0.000 0.927 262 K CB -1.450 31.092 32.500 0.070 0.000 0.712 262 K HN 0.686 nan 8.250 nan 0.000 0.441 263 Y N 0.987 121.284 120.300 -0.004 0.000 2.014 263 Y HA -0.229 4.328 4.550 0.011 0.000 0.270 263 Y C 2.251 178.129 175.900 -0.038 0.000 1.145 263 Y CA 2.265 60.355 58.100 -0.016 0.000 1.106 263 Y CB -0.262 38.191 38.460 -0.012 0.000 0.968 263 Y HN 0.202 nan 8.280 nan 0.000 0.484 264 I N -0.754 119.912 120.570 0.162 0.000 2.185 264 I HA -0.464 3.713 4.170 0.011 0.000 0.246 264 I C 2.515 178.562 176.117 -0.118 0.000 1.088 264 I CA 1.629 62.934 61.300 0.008 0.000 1.347 264 I CB -0.812 37.211 38.000 0.037 0.000 1.041 264 I HN 0.437 nan 8.210 nan 0.000 0.415 265 c N 0.475 119.030 118.600 -0.073 0.000 2.440 265 c HA -0.109 4.468 4.570 0.011 0.000 0.278 265 c C 2.660 176.683 174.090 -0.112 0.000 1.295 265 c CA 0.670 56.952 56.329 -0.078 0.000 1.738 265 c CB -0.923 41.566 42.510 -0.034 0.000 1.987 265 c HN 0.495 nan 8.230 nan 0.000 0.492 266 E N 0.959 121.071 120.200 -0.146 0.000 2.028 266 E HA -0.124 4.232 4.350 0.011 0.000 0.191 266 E C 1.130 177.610 176.600 -0.200 0.000 0.988 266 E CA 1.054 57.359 56.400 -0.158 0.000 0.799 266 E CB -0.248 29.349 29.700 -0.172 0.000 0.755 266 E HN 0.734 nan 8.360 nan 0.000 0.447 267 N N 1.410 119.922 118.700 -0.314 0.000 2.375 267 N HA -0.051 4.696 4.740 0.011 0.000 0.220 267 N C 1.317 176.693 175.510 -0.223 0.000 1.170 267 N CA -0.248 52.625 53.050 -0.294 0.000 0.833 267 N CB 0.190 38.407 38.487 -0.451 0.000 1.069 267 N HN 0.194 nan 8.380 nan 0.000 0.479 268 Q N 1.699 121.388 119.800 -0.184 0.000 2.062 268 Q HA -0.266 4.081 4.340 0.011 0.000 0.209 268 Q C 1.093 177.008 176.000 -0.142 0.000 0.996 268 Q CA 1.657 57.363 55.803 -0.161 0.000 0.859 268 Q CB -0.001 28.668 28.738 -0.115 0.000 0.920 268 Q HN 0.334 nan 8.270 nan 0.000 0.415 269 D N -0.416 119.920 120.400 -0.108 0.000 2.265 269 D HA -0.110 4.537 4.640 0.011 0.000 0.208 269 D C 1.519 177.771 176.300 -0.079 0.000 0.977 269 D CA 1.222 55.174 54.000 -0.080 0.000 0.871 269 D CB 0.060 40.823 40.800 -0.062 0.000 0.925 269 D HN 0.240 nan 8.370 nan 0.000 0.485 270 S N -0.828 114.811 115.700 -0.101 0.000 2.575 270 S HA 0.107 4.584 4.470 0.011 0.000 0.215 270 S C 1.609 176.148 174.600 -0.101 0.000 0.966 270 S CA -0.153 57.998 58.200 -0.082 0.000 0.911 270 S CB 0.327 63.478 63.200 -0.082 0.000 0.780 270 S HN 0.154 nan 8.310 nan 0.000 0.514 271 I N -0.537 119.928 120.570 -0.175 0.000 3.570 271 I HA 0.328 4.505 4.170 0.011 0.000 0.270 271 I C 0.483 176.428 176.117 -0.288 0.000 1.162 271 I CA 0.005 61.123 61.300 -0.304 0.000 1.413 271 I CB 0.843 38.514 38.000 -0.549 0.000 1.437 271 I HN 0.252 nan 8.210 nan 0.000 0.457 272 S N -0.747 114.813 115.700 -0.234 0.000 2.558 272 S HA 0.216 4.693 4.470 0.011 0.000 0.277 272 S C 0.461 175.032 174.600 -0.048 0.000 1.143 272 S CA -0.010 58.144 58.200 -0.076 0.000 0.865 272 S CB 1.264 64.482 63.200 0.030 0.000 1.102 272 S HN 0.236 nan 8.310 nan 0.000 0.454 273 S N 2.696 118.393 115.700 -0.005 0.000 2.406 273 S HA 0.114 4.591 4.470 0.011 0.000 0.224 273 S C 0.729 175.330 174.600 0.003 0.000 1.030 273 S CA 0.233 58.429 58.200 -0.008 0.000 0.958 273 S CB -0.479 62.719 63.200 -0.003 0.000 0.811 273 S HN 0.713 nan 8.310 nan 0.000 0.489 274 K N 1.095 121.510 120.400 0.024 0.000 3.225 274 K HA 0.246 4.573 4.320 0.011 0.000 0.282 274 K C -0.273 176.348 176.600 0.035 0.000 1.060 274 K CA -0.050 56.255 56.287 0.029 0.000 1.186 274 K CB -0.140 32.383 32.500 0.039 0.000 1.214 274 K HN 0.257 nan 8.250 nan 0.000 0.428 275 L N -0.118 121.112 121.223 0.012 0.000 3.184 275 L HA 0.082 4.429 4.340 0.011 0.000 0.283 275 L C 1.767 178.632 176.870 -0.008 0.000 1.218 275 L CA 0.562 55.404 54.840 0.004 0.000 1.028 275 L CB 0.293 42.332 42.059 -0.034 0.000 1.400 275 L HN 0.109 nan 8.230 nan 0.000 0.591 276 K N -0.165 120.232 120.400 -0.006 0.000 1.984 276 K HA -0.116 4.211 4.320 0.011 0.000 0.209 276 K C 1.701 178.301 176.600 0.001 0.000 1.046 276 K CA 1.836 58.119 56.287 -0.007 0.000 0.934 276 K CB -0.795 31.701 32.500 -0.006 0.000 0.717 276 K HN 0.391 nan 8.250 nan 0.000 0.438 277 E N 0.548 120.753 120.200 0.007 0.000 2.095 277 E HA -0.216 4.141 4.350 0.011 0.000 0.212 277 E C 2.228 178.838 176.600 0.016 0.000 1.044 277 E CA 1.906 58.314 56.400 0.014 0.000 0.857 277 E CB -1.429 28.282 29.700 0.017 0.000 0.764 277 E HN 0.627 nan 8.360 nan 0.000 0.462 278 c N 0.056 118.666 118.600 0.016 0.000 2.413 278 c HA -0.161 4.416 4.570 0.011 0.000 0.277 278 c C 2.782 176.882 174.090 0.017 0.000 1.265 278 c CA 0.616 56.956 56.329 0.018 0.000 1.752 278 c CB -0.976 41.543 42.510 0.016 0.000 1.998 278 c HN 0.559 nan 8.230 nan 0.000 0.489 279 c N 0.384 118.988 118.600 0.008 0.000 2.481 279 c HA 0.078 4.654 4.570 0.011 0.000 0.275 279 c C 2.837 176.930 174.090 0.006 0.000 1.419 279 c CA 1.342 57.673 56.329 0.002 0.000 1.773 279 c CB -1.623 40.879 42.510 -0.013 0.000 1.862 279 c HN 0.805 nan 8.230 nan 0.000 0.530 280 E N 0.811 121.016 120.200 0.009 0.000 2.400 280 E HA 0.033 4.390 4.350 0.011 0.000 0.195 280 E C 0.835 177.446 176.600 0.017 0.000 1.012 280 E CA 0.251 56.657 56.400 0.011 0.000 0.875 280 E CB -0.128 29.578 29.700 0.010 0.000 0.859 280 E HN 0.660 nan 8.360 nan 0.000 0.498 281 K N 1.332 121.745 120.400 0.023 0.000 2.219 281 K HA 0.227 4.554 4.320 0.011 0.000 0.258 281 K C -2.208 174.409 176.600 0.028 0.000 1.008 281 K CA -1.507 54.798 56.287 0.030 0.000 0.928 281 K CB 0.684 33.208 32.500 0.040 0.000 0.983 281 K HN 0.197 nan 8.250 nan 0.000 0.484 282 P HA -0.057 nan 4.420 nan 0.000 0.272 282 P C 0.844 178.160 177.300 0.026 0.000 1.240 282 P CA -0.336 62.778 63.100 0.022 0.000 0.791 282 P CB 0.484 32.196 31.700 0.019 0.000 0.978 283 L N 2.109 123.343 121.223 0.017 0.000 2.011 283 L HA -0.263 4.084 4.340 0.011 0.000 0.225 283 L C 2.321 179.211 176.870 0.034 0.000 1.084 283 L CA 2.104 56.956 54.840 0.021 0.000 0.791 283 L CB -1.755 40.304 42.059 0.000 0.000 0.898 283 L HN 0.279 nan 8.230 nan 0.000 0.440 284 L N -0.258 120.980 121.223 0.027 0.000 2.043 284 L HA -0.236 4.111 4.340 0.011 0.000 0.212 284 L C 2.435 179.336 176.870 0.053 0.000 1.075 284 L CA 2.278 57.139 54.840 0.034 0.000 0.752 284 L CB -0.646 41.424 42.059 0.018 0.000 0.891 284 L HN 0.569 nan 8.230 nan 0.000 0.432 285 E N -1.939 118.294 120.200 0.055 0.000 2.479 285 E HA -0.053 4.304 4.350 0.011 0.000 0.193 285 E C 1.720 178.372 176.600 0.086 0.000 1.049 285 E CA -0.201 56.242 56.400 0.071 0.000 0.870 285 E CB 0.080 29.824 29.700 0.073 0.000 0.944 285 E HN 0.412 nan 8.360 nan 0.000 0.492 286 K N 1.403 121.844 120.400 0.068 0.000 1.978 286 K HA -0.152 4.175 4.320 0.011 0.000 0.214 286 K C 2.478 179.112 176.600 0.056 0.000 1.049 286 K CA 2.040 58.360 56.287 0.056 0.000 0.939 286 K CB -0.288 32.241 32.500 0.048 0.000 0.721 286 K HN 0.125 nan 8.250 nan 0.000 0.441 287 S N 0.360 116.102 115.700 0.070 0.000 2.382 287 S HA -0.221 4.256 4.470 0.011 0.000 0.228 287 S C 2.004 176.624 174.600 0.034 0.000 1.027 287 S CA 1.700 59.934 58.200 0.056 0.000 0.991 287 S CB -0.693 62.543 63.200 0.060 0.000 0.823 287 S HN 0.452 nan 8.310 nan 0.000 0.469 288 H N 0.746 119.798 119.070 -0.030 0.000 2.353 288 H HA -0.048 4.515 4.556 0.012 0.000 0.300 288 H C 2.410 177.664 175.328 -0.123 0.000 1.090 288 H CA 1.768 57.753 56.048 -0.105 0.000 1.327 288 H CB -0.960 28.686 29.762 -0.193 0.000 1.383 288 H HN 0.482 nan 8.280 nan 0.000 0.508 289 c N 0.142 118.687 118.600 -0.091 0.000 2.413 289 c HA -0.134 4.443 4.570 0.011 0.000 0.278 289 c C 2.808 176.830 174.090 -0.113 0.000 1.224 289 c CA 1.325 57.590 56.329 -0.107 0.000 1.732 289 c CB -1.361 41.152 42.510 0.005 0.000 2.050 289 c HN 0.721 nan 8.230 nan 0.000 0.463 290 I N 1.587 122.134 120.570 -0.039 0.000 2.194 290 I HA -0.225 3.952 4.170 0.011 0.000 0.246 290 I C 2.799 178.912 176.117 -0.006 0.000 1.093 290 I CA 1.774 63.083 61.300 0.016 0.000 1.355 290 I CB -0.683 37.354 38.000 0.062 0.000 1.046 290 I HN 0.450 nan 8.210 nan 0.000 0.413 291 A N -0.088 122.686 122.820 -0.076 0.000 2.019 291 A HA -0.191 4.136 4.320 0.011 0.000 0.219 291 A C 2.152 179.650 177.584 -0.143 0.000 1.164 291 A CA 1.548 53.528 52.037 -0.096 0.000 0.644 291 A CB -0.413 18.512 19.000 -0.126 0.000 0.805 291 A HN 0.476 nan 8.150 nan 0.000 0.449 292 E N -0.739 119.337 120.200 -0.206 0.000 2.481 292 E HA 0.166 4.522 4.350 0.011 0.000 0.198 292 E C -0.010 176.524 176.600 -0.110 0.000 1.027 292 E CA -0.390 55.899 56.400 -0.184 0.000 0.900 292 E CB 0.331 29.867 29.700 -0.272 0.000 0.993 292 E HN 0.312 nan 8.360 nan 0.000 0.482 293 V N 1.973 121.843 119.914 -0.072 0.000 3.083 293 V HA -0.155 3.972 4.120 0.011 0.000 0.303 293 V C 0.414 176.483 176.094 -0.041 0.000 1.151 293 V CA 0.950 63.238 62.300 -0.021 0.000 1.275 293 V CB 0.937 32.800 31.823 0.066 0.000 0.950 293 V HN 0.190 nan 8.190 nan 0.000 0.506 294 E N 3.545 123.734 120.200 -0.018 0.000 2.283 294 E HA 0.243 4.600 4.350 0.011 0.000 0.271 294 E C -0.183 176.395 176.600 -0.037 0.000 1.031 294 E CA -0.838 55.541 56.400 -0.035 0.000 0.868 294 E CB 0.645 30.334 29.700 -0.018 0.000 1.094 294 E HN 0.786 nan 8.360 nan 0.000 0.401 295 N N 2.664 121.321 118.700 -0.071 0.000 2.412 295 N HA -0.057 4.690 4.740 0.011 0.000 0.258 295 N C -0.617 174.878 175.510 -0.026 0.000 1.236 295 N CA 0.318 53.320 53.050 -0.080 0.000 0.882 295 N CB 0.388 38.813 38.487 -0.103 0.000 1.066 295 N HN 0.443 nan 8.380 nan 0.000 0.465 296 D N 0.840 121.249 120.400 0.014 0.000 2.358 296 D HA 0.042 4.689 4.640 0.011 0.000 0.244 296 D C -0.265 176.030 176.300 -0.008 0.000 1.163 296 D CA -0.126 53.893 54.000 0.033 0.000 0.945 296 D CB 0.701 41.555 40.800 0.089 0.000 1.152 296 D HN 0.351 nan 8.370 nan 0.000 0.451 297 E N 0.424 120.617 120.200 -0.012 0.000 2.338 297 E HA 0.155 4.512 4.350 0.011 0.000 0.272 297 E C -0.077 176.500 176.600 -0.038 0.000 1.029 297 E CA -0.351 56.029 56.400 -0.033 0.000 0.872 297 E CB 0.686 30.369 29.700 -0.028 0.000 1.015 297 E HN 0.372 nan 8.360 nan 0.000 0.417 298 M N 2.588 122.148 119.600 -0.066 0.000 2.211 298 M HA 0.418 4.904 4.480 0.011 0.000 0.356 298 M C -2.255 174.004 176.300 -0.069 0.000 1.216 298 M CA -1.951 53.301 55.300 -0.080 0.000 1.134 298 M CB 0.200 32.722 32.600 -0.130 0.000 1.564 298 M HN 0.076 nan 8.290 nan 0.000 0.463 299 P HA -0.012 nan 4.420 nan 0.000 0.263 299 P C -0.041 177.223 177.300 -0.059 0.000 1.175 299 P CA 0.301 63.374 63.100 -0.044 0.000 0.761 299 P CB 0.531 32.212 31.700 -0.031 0.000 0.794 300 A N 1.616 124.407 122.820 -0.048 0.000 2.218 300 A HA 0.221 4.548 4.320 0.011 0.000 0.209 300 A C 1.136 178.691 177.584 -0.049 0.000 1.168 300 A CA 0.983 52.988 52.037 -0.054 0.000 0.804 300 A CB -0.852 18.122 19.000 -0.043 0.000 0.834 300 A HN 0.579 nan 8.150 nan 0.000 0.482 301 D N 0.642 121.018 120.400 -0.040 0.000 2.479 301 D HA 0.590 5.237 4.640 0.011 0.000 0.247 301 D C -0.711 175.568 176.300 -0.034 0.000 1.119 301 D CA -0.336 53.645 54.000 -0.032 0.000 0.922 301 D CB -0.182 40.606 40.800 -0.019 0.000 1.014 301 D HN 0.302 nan 8.370 nan 0.000 0.510 302 L N 0.984 122.178 121.223 -0.049 0.000 2.438 302 L HA 0.575 4.922 4.340 0.011 0.000 0.270 302 L C -2.118 174.723 176.870 -0.049 0.000 0.972 302 L CA -1.762 53.047 54.840 -0.053 0.000 0.831 302 L CB 1.757 43.761 42.059 -0.092 0.000 1.273 302 L HN 0.210 nan 8.230 nan 0.000 0.405 303 P HA 0.005 nan 4.420 nan 0.000 0.273 303 P C -0.537 176.757 177.300 -0.009 0.000 1.248 303 P CA -0.273 62.824 63.100 -0.005 0.000 0.817 303 P CB 0.428 32.138 31.700 0.016 0.000 0.995 304 S N -0.584 115.129 115.700 0.022 0.000 2.433 304 S HA 0.216 4.693 4.470 0.011 0.000 0.310 304 S C 1.225 175.898 174.600 0.121 0.000 1.097 304 S CA -0.697 57.531 58.200 0.047 0.000 1.103 304 S CB -0.287 62.943 63.200 0.051 0.000 0.992 304 S HN 0.355 nan 8.310 nan 0.000 0.469 305 L N 4.498 125.822 121.223 0.169 0.000 2.151 305 L HA -0.227 4.119 4.340 0.011 0.000 0.215 305 L C 2.864 179.993 176.870 0.432 0.000 1.084 305 L CA 1.867 56.941 54.840 0.391 0.000 0.764 305 L CB -0.880 41.375 42.059 0.328 0.000 0.891 305 L HN 0.818 nan 8.230 nan 0.000 0.435 306 A N -0.186 122.770 122.820 0.226 0.000 2.076 306 A HA -0.148 4.179 4.320 0.011 0.000 0.220 306 A C 2.520 180.109 177.584 0.007 0.000 1.160 306 A CA 1.840 53.832 52.037 -0.076 0.000 0.653 306 A CB -0.558 18.361 19.000 -0.135 0.000 0.801 306 A HN 0.458 nan 8.150 nan 0.000 0.455 307 A N -0.169 122.687 122.820 0.060 0.000 1.855 307 A HA -0.042 4.285 4.320 0.011 0.000 0.213 307 A C 1.667 179.258 177.584 0.012 0.000 1.195 307 A CA 1.647 53.706 52.037 0.038 0.000 0.610 307 A CB -0.445 18.573 19.000 0.030 0.000 0.837 307 A HN 0.403 nan 8.150 nan 0.000 0.444 308 D N -2.035 118.336 120.400 -0.050 0.000 2.355 308 D HA 0.137 4.784 4.640 0.011 0.000 0.218 308 D C 0.620 176.589 176.300 -0.552 0.000 1.004 308 D CA 0.754 54.570 54.000 -0.306 0.000 0.880 308 D CB 0.075 40.584 40.800 -0.484 0.000 0.911 308 D HN 0.476 nan 8.370 nan 0.000 0.528 309 F N -1.619 118.425 119.950 0.156 0.000 2.819 309 F HA 0.180 4.715 4.527 0.012 0.000 0.325 309 F C 1.556 177.399 175.800 0.073 0.000 1.041 309 F CA -0.015 58.104 58.000 0.198 0.000 1.184 309 F CB 0.583 39.698 39.000 0.191 0.000 1.019 309 F HN -0.168 nan 8.300 nan 0.000 0.590 310 V N -1.256 118.715 119.914 0.094 0.000 3.134 310 V HA 0.069 4.196 4.120 0.011 0.000 0.222 310 V C 1.747 177.884 176.094 0.073 0.000 1.247 310 V CA 0.384 62.673 62.300 -0.019 0.000 1.281 310 V CB -0.335 31.264 31.823 -0.374 0.000 1.169 310 V HN -0.029 nan 8.190 nan 0.000 0.512 311 E N 0.829 121.055 120.200 0.043 0.000 2.204 311 E HA -0.092 4.265 4.350 0.011 0.000 0.195 311 E C 1.357 178.172 176.600 0.359 0.000 0.990 311 E CA 0.943 57.439 56.400 0.159 0.000 0.821 311 E CB 0.038 29.788 29.700 0.082 0.000 0.750 311 E HN 0.442 nan 8.360 nan 0.000 0.477 312 S N -0.604 115.249 115.700 0.256 0.000 2.606 312 S HA 0.397 4.874 4.470 0.011 0.000 0.257 312 S C 0.043 174.889 174.600 0.411 0.000 1.327 312 S CA 0.157 58.503 58.200 0.243 0.000 0.984 312 S CB 0.670 63.945 63.200 0.125 0.000 0.941 312 S HN 0.209 nan 8.310 nan 0.000 0.576 313 K N -0.408 120.127 120.400 0.226 0.000 2.346 313 K HA 0.621 4.948 4.320 0.011 0.000 0.238 313 K C 0.458 177.140 176.600 0.136 0.000 1.039 313 K CA 0.293 56.704 56.287 0.206 0.000 0.861 313 K CB -0.594 31.913 32.500 0.012 0.000 1.278 313 K HN 1.470 nan 8.250 nan 0.000 0.460 314 D N -1.258 119.202 120.400 0.101 0.000 3.059 314 D HA -0.178 4.469 4.640 0.011 0.000 0.220 314 D C 1.099 177.401 176.300 0.003 0.000 1.169 314 D CA 1.481 55.503 54.000 0.038 0.000 0.902 314 D CB -2.244 38.565 40.800 0.014 0.000 1.116 314 D HN 0.829 nan 8.370 nan 0.000 0.417 315 V N -0.777 119.172 119.914 0.057 0.000 2.346 315 V HA -0.141 3.986 4.120 0.011 0.000 0.244 315 V C 2.987 178.966 176.094 -0.191 0.000 1.037 315 V CA 2.027 64.300 62.300 -0.045 0.000 1.029 315 V CB 0.010 31.832 31.823 -0.002 0.000 0.663 315 V HN 0.928 nan 8.190 nan 0.000 0.454 316 c N 0.287 118.873 118.600 -0.022 0.000 2.422 316 c HA -0.103 4.474 4.570 0.011 0.000 0.279 316 c C 3.097 177.160 174.090 -0.045 0.000 1.305 316 c CA 1.344 57.687 56.329 0.023 0.000 1.757 316 c CB -1.293 41.283 42.510 0.110 0.000 1.962 316 c HN 0.684 nan 8.230 nan 0.000 0.499 317 K N 1.033 121.391 120.400 -0.070 0.000 2.025 317 K HA -0.150 4.177 4.320 0.011 0.000 0.207 317 K C 1.488 177.996 176.600 -0.153 0.000 1.049 317 K CA 1.981 58.218 56.287 -0.083 0.000 0.933 317 K CB -1.191 31.279 32.500 -0.051 0.000 0.714 317 K HN 0.733 nan 8.250 nan 0.000 0.438 318 N N -1.080 117.467 118.700 -0.254 0.000 2.309 318 N HA -0.062 4.685 4.740 0.011 0.000 0.182 318 N C 1.771 176.968 175.510 -0.522 0.000 1.018 318 N CA 1.171 54.008 53.050 -0.354 0.000 0.876 318 N CB -0.166 38.070 38.487 -0.419 0.000 0.972 318 N HN 0.552 nan 8.380 nan 0.000 0.434 319 Y N 1.591 121.390 120.300 -0.834 0.000 2.130 319 Y HA 0.059 4.617 4.550 0.013 0.000 0.287 319 Y C 2.248 178.026 175.900 -0.203 0.000 1.124 319 Y CA 1.200 58.942 58.100 -0.596 0.000 1.118 319 Y CB -0.858 37.334 38.460 -0.446 0.000 0.994 319 Y HN 0.013 nan 8.280 nan 0.000 0.497 320 A N 0.154 122.773 122.820 -0.335 0.000 2.024 320 A HA -0.230 4.097 4.320 0.011 0.000 0.220 320 A C 2.222 179.675 177.584 -0.217 0.000 1.164 320 A CA 1.818 53.651 52.037 -0.340 0.000 0.643 320 A CB -0.901 17.989 19.000 -0.183 0.000 0.806 320 A HN 0.676 nan 8.150 nan 0.000 0.451 321 E N -0.881 119.226 120.200 -0.155 0.000 2.110 321 E HA 0.058 4.415 4.350 0.011 0.000 0.193 321 E C 0.382 176.949 176.600 -0.054 0.000 0.988 321 E CA 0.921 57.270 56.400 -0.086 0.000 0.804 321 E CB -0.052 29.611 29.700 -0.062 0.000 0.745 321 E HN 0.542 nan 8.360 nan 0.000 0.458 322 A N 0.209 123.002 122.820 -0.046 0.000 2.913 322 A HA 0.170 4.497 4.320 0.011 0.000 0.284 322 A C 0.273 177.908 177.584 0.085 0.000 1.273 322 A CA -0.597 51.454 52.037 0.023 0.000 0.899 322 A CB 0.337 19.385 19.000 0.081 0.000 1.444 322 A HN 0.012 nan 8.150 nan 0.000 0.586 323 K N 0.350 120.727 120.400 -0.038 0.000 2.015 323 K HA -0.245 4.082 4.320 0.011 0.000 0.220 323 K C 0.896 177.686 176.600 0.317 0.000 1.055 323 K CA 2.303 58.612 56.287 0.036 0.000 0.951 323 K CB -0.062 32.325 32.500 -0.188 0.000 0.725 323 K HN 0.629 nan 8.250 nan 0.000 0.449 324 D N 0.404 120.931 120.400 0.211 0.000 2.123 324 D HA -0.123 4.523 4.640 0.011 0.000 0.196 324 D C 2.015 178.476 176.300 0.270 0.000 0.992 324 D CA 0.923 55.060 54.000 0.229 0.000 0.833 324 D CB -0.309 40.593 40.800 0.169 0.000 0.954 324 D HN -0.028 nan 8.370 nan 0.000 0.455 325 V N 0.642 120.714 119.914 0.264 0.000 2.343 325 V HA -0.225 3.902 4.120 0.011 0.000 0.247 325 V C 2.125 178.366 176.094 0.245 0.000 1.051 325 V CA 1.210 63.684 62.300 0.289 0.000 1.036 325 V CB -0.560 31.417 31.823 0.257 0.000 0.654 325 V HN 0.095 nan 8.190 nan 0.000 0.451 326 F N 0.418 120.473 119.950 0.175 0.000 2.102 326 F HA -0.140 4.393 4.527 0.010 0.000 0.298 326 F C 2.070 178.049 175.800 0.299 0.000 1.105 326 F CA 1.566 59.705 58.000 0.232 0.000 1.239 326 F CB -0.340 38.865 39.000 0.341 0.000 0.991 326 F HN 0.005 nan 8.300 nan 0.000 0.474 327 L N -0.372 121.046 121.223 0.326 0.000 2.083 327 L HA -0.147 4.200 4.340 0.011 0.000 0.209 327 L C 2.724 179.709 176.870 0.191 0.000 1.083 327 L CA 1.306 56.282 54.840 0.226 0.000 0.752 327 L CB -1.442 40.775 42.059 0.263 0.000 0.899 327 L HN 0.331 nan 8.230 nan 0.000 0.433 328 G N -0.762 108.165 108.800 0.212 0.000 2.432 328 G HA2 -0.275 3.692 3.960 0.011 0.000 0.219 328 G HA3 -0.275 3.692 3.960 0.011 0.000 0.219 328 G C 1.633 176.655 174.900 0.204 0.000 1.135 328 G CA 0.494 45.766 45.100 0.286 0.000 0.767 328 G HN 0.203 nan 8.290 nan 0.000 0.550 329 M N -0.780 118.728 119.600 -0.153 0.000 2.175 329 M HA 0.126 4.613 4.480 0.011 0.000 0.264 329 M C 2.133 178.398 176.300 -0.058 0.000 1.063 329 M CA 0.940 56.051 55.300 -0.316 0.000 1.119 329 M CB -0.130 32.262 32.600 -0.348 0.000 1.377 329 M HN 0.301 nan 8.290 nan 0.000 0.415 330 F N 0.513 120.228 119.950 -0.391 0.000 2.113 330 F HA -0.194 4.340 4.527 0.011 0.000 0.297 330 F C 1.738 177.318 175.800 -0.366 0.000 1.103 330 F CA 1.542 59.060 58.000 -0.803 0.000 1.248 330 F CB -0.277 38.267 39.000 -0.760 0.000 0.999 330 F HN -0.020 nan 8.300 nan 0.000 0.475 331 L N -0.629 120.508 121.223 -0.143 0.000 1.970 331 L HA -0.277 4.070 4.340 0.011 0.000 0.212 331 L C 2.570 179.366 176.870 -0.124 0.000 1.071 331 L CA 2.191 56.935 54.840 -0.160 0.000 0.751 331 L CB -1.126 40.942 42.059 0.015 0.000 0.889 331 L HN 0.345 nan 8.230 nan 0.000 0.432 332 Y N 0.849 121.115 120.300 -0.057 0.000 2.151 332 Y HA -0.299 4.257 4.550 0.011 0.000 0.284 332 Y C 2.519 178.372 175.900 -0.078 0.000 1.166 332 Y CA 1.778 59.886 58.100 0.014 0.000 1.163 332 Y CB -0.112 38.515 38.460 0.279 0.000 0.974 332 Y HN 0.180 nan 8.280 nan 0.000 0.511 333 E N -0.470 119.580 120.200 -0.250 0.000 2.028 333 E HA -0.214 4.143 4.350 0.011 0.000 0.191 333 E C 2.107 178.438 176.600 -0.448 0.000 0.988 333 E CA 1.479 57.646 56.400 -0.388 0.000 0.799 333 E CB -1.046 28.533 29.700 -0.202 0.000 0.755 333 E HN 0.612 nan 8.360 nan 0.000 0.447 334 Y N 1.086 120.988 120.300 -0.664 0.000 2.293 334 Y HA -0.145 4.413 4.550 0.013 0.000 0.291 334 Y C 2.213 177.866 175.900 -0.413 0.000 1.137 334 Y CA 1.147 58.879 58.100 -0.613 0.000 1.202 334 Y CB -0.393 37.479 38.460 -0.980 0.000 0.990 334 Y HN 0.037 nan 8.280 nan 0.000 0.537 335 A N 0.855 123.556 122.820 -0.199 0.000 1.873 335 A HA -0.181 4.146 4.320 0.011 0.000 0.215 335 A C 2.276 179.719 177.584 -0.235 0.000 1.186 335 A CA 1.690 53.611 52.037 -0.193 0.000 0.616 335 A CB -0.637 18.241 19.000 -0.203 0.000 0.823 335 A HN 0.546 nan 8.150 nan 0.000 0.442 336 R N -0.685 119.626 120.500 -0.316 0.000 2.285 336 R HA 0.024 4.370 4.340 0.011 0.000 0.213 336 R C 1.547 177.659 176.300 -0.312 0.000 1.068 336 R CA 1.214 57.128 56.100 -0.310 0.000 1.004 336 R CB -0.288 29.779 30.300 -0.388 0.000 0.873 336 R HN 0.415 nan 8.270 nan 0.000 0.467 337 R N -0.122 120.161 120.500 -0.362 0.000 2.300 337 R HA 0.131 4.478 4.340 0.011 0.000 0.199 337 R C -0.056 175.816 176.300 -0.714 0.000 0.920 337 R CA 0.252 56.060 56.100 -0.487 0.000 1.046 337 R CB 0.408 30.389 30.300 -0.533 0.000 0.984 337 R HN 0.311 nan 8.270 nan 0.000 0.493 338 H N 0.110 118.949 119.070 -0.385 0.000 2.429 338 H HA 0.158 4.723 4.556 0.014 0.000 0.231 338 H C -2.079 173.036 175.328 -0.356 0.000 1.416 338 H CA -1.650 54.094 56.048 -0.506 0.000 1.443 338 H CB 1.660 30.860 29.762 -0.938 0.000 1.591 338 H HN 0.018 nan 8.280 nan 0.000 0.507 339 P HA -0.043 nan 4.420 nan 0.000 0.245 339 P C 0.792 178.041 177.300 -0.085 0.000 1.212 339 P CA 0.583 63.598 63.100 -0.142 0.000 0.774 339 P CB 0.349 31.960 31.700 -0.148 0.000 0.999 340 D N -2.302 118.067 120.400 -0.051 0.000 2.328 340 D HA -0.049 4.598 4.640 0.011 0.000 0.221 340 D C 0.072 176.507 176.300 0.224 0.000 1.072 340 D CA -0.134 53.894 54.000 0.047 0.000 0.850 340 D CB -0.414 40.423 40.800 0.061 0.000 0.922 340 D HN 0.068 nan 8.370 nan 0.000 0.516 341 Y N 1.514 121.778 120.300 -0.061 0.000 2.496 341 Y HA 0.371 4.930 4.550 0.016 0.000 0.331 341 Y C 1.053 176.870 175.900 -0.138 0.000 1.140 341 Y CA -2.478 55.553 58.100 -0.115 0.000 1.166 341 Y CB 1.560 39.918 38.460 -0.170 0.000 1.249 341 Y HN -0.127 nan 8.280 nan 0.000 0.479 342 S N -0.361 115.331 115.700 -0.012 0.000 2.617 342 S HA 0.276 4.753 4.470 0.011 0.000 0.269 342 S C 0.894 175.430 174.600 -0.106 0.000 1.292 342 S CA -0.706 57.456 58.200 -0.062 0.000 1.010 342 S CB 1.114 64.274 63.200 -0.066 0.000 0.944 342 S HN 0.384 nan 8.310 nan 0.000 0.536 343 V N 1.686 121.511 119.914 -0.149 0.000 2.407 343 V HA -0.163 3.964 4.120 0.011 0.000 0.248 343 V C 2.542 178.525 176.094 -0.185 0.000 1.055 343 V CA 1.895 64.023 62.300 -0.287 0.000 1.049 343 V CB -1.092 30.357 31.823 -0.623 0.000 0.662 343 V HN 0.907 nan 8.190 nan 0.000 0.455 344 V N -1.490 118.392 119.914 -0.053 0.000 2.809 344 V HA -0.109 4.018 4.120 0.011 0.000 0.256 344 V C 2.246 178.265 176.094 -0.124 0.000 1.080 344 V CA 1.747 64.021 62.300 -0.042 0.000 1.102 344 V CB -0.670 31.152 31.823 -0.000 0.000 0.705 344 V HN 0.464 nan 8.190 nan 0.000 0.475 345 L N -0.172 120.950 121.223 -0.169 0.000 2.109 345 L HA 0.117 4.463 4.340 0.011 0.000 0.207 345 L C 2.199 178.883 176.870 -0.310 0.000 1.086 345 L CA 1.687 56.370 54.840 -0.261 0.000 0.760 345 L CB -0.528 41.315 42.059 -0.359 0.000 0.910 345 L HN 0.264 nan 8.230 nan 0.000 0.437 346 L N -1.043 120.026 121.223 -0.257 0.000 2.027 346 L HA -0.208 4.138 4.340 0.011 0.000 0.206 346 L C 2.500 179.201 176.870 -0.281 0.000 1.074 346 L CA 1.376 56.033 54.840 -0.305 0.000 0.745 346 L CB -0.557 41.353 42.059 -0.249 0.000 0.898 346 L HN 0.280 nan 8.230 nan 0.000 0.433 347 L N -0.805 120.300 121.223 -0.197 0.000 2.131 347 L HA -0.215 4.132 4.340 0.011 0.000 0.210 347 L C 2.714 179.504 176.870 -0.133 0.000 1.092 347 L CA 1.115 55.880 54.840 -0.125 0.000 0.759 347 L CB -0.547 41.470 42.059 -0.070 0.000 0.903 347 L HN 0.209 nan 8.230 nan 0.000 0.435 348 R N 0.005 120.399 120.500 -0.175 0.000 2.120 348 R HA -0.099 4.248 4.340 0.011 0.000 0.234 348 R C 2.237 178.395 176.300 -0.237 0.000 1.123 348 R CA 1.087 57.082 56.100 -0.174 0.000 0.975 348 R CB -0.087 30.100 30.300 -0.187 0.000 0.866 348 R HN 0.364 nan 8.270 nan 0.000 0.446 349 L N -0.919 120.076 121.223 -0.380 0.000 2.127 349 L HA 0.008 4.355 4.340 0.011 0.000 0.203 349 L C 2.573 179.252 176.870 -0.319 0.000 1.080 349 L CA 0.874 55.335 54.840 -0.631 0.000 0.768 349 L CB -0.554 40.846 42.059 -1.098 0.000 0.924 349 L HN 0.204 nan 8.230 nan 0.000 0.444 350 A N 0.403 123.167 122.820 -0.093 0.000 1.908 350 A HA -0.265 4.062 4.320 0.011 0.000 0.218 350 A C 2.389 179.977 177.584 0.008 0.000 1.181 350 A CA 2.016 54.104 52.037 0.086 0.000 0.627 350 A CB -0.437 18.638 19.000 0.125 0.000 0.818 350 A HN 0.303 nan 8.150 nan 0.000 0.445 351 K N -1.248 119.139 120.400 -0.022 0.000 2.057 351 K HA -0.112 4.215 4.320 0.011 0.000 0.206 351 K C 2.048 178.650 176.600 0.005 0.000 1.050 351 K CA 1.682 57.966 56.287 -0.005 0.000 0.935 351 K CB -0.280 32.212 32.500 -0.012 0.000 0.715 351 K HN 0.416 nan 8.250 nan 0.000 0.439 352 T N 0.096 114.654 114.554 0.007 0.000 2.788 352 T HA -0.163 4.194 4.350 0.011 0.000 0.268 352 T C 1.331 176.125 174.700 0.157 0.000 1.044 352 T CA 1.201 63.354 62.100 0.088 0.000 1.139 352 T CB -0.320 68.632 68.868 0.140 0.000 0.867 352 T HN 0.308 nan 8.240 nan 0.000 0.454 353 Y N 2.140 122.415 120.300 -0.041 0.000 2.133 353 Y HA -0.092 4.462 4.550 0.008 0.000 0.287 353 Y C 2.479 178.252 175.900 -0.213 0.000 1.134 353 Y CA 1.743 59.743 58.100 -0.166 0.000 1.133 353 Y CB -0.584 37.481 38.460 -0.659 0.000 0.987 353 Y HN 0.358 nan 8.280 nan 0.000 0.502 354 E N -1.052 119.027 120.200 -0.203 0.000 2.097 354 E HA -0.224 4.133 4.350 0.011 0.000 0.196 354 E C 1.879 178.389 176.600 -0.150 0.000 1.000 354 E CA 2.136 58.398 56.400 -0.230 0.000 0.804 354 E CB -0.364 29.316 29.700 -0.034 0.000 0.740 354 E HN 0.443 nan 8.360 nan 0.000 0.454 355 T N 0.153 114.669 114.554 -0.063 0.000 2.746 355 T HA -0.177 4.180 4.350 0.011 0.000 0.267 355 T C 2.032 176.713 174.700 -0.033 0.000 1.039 355 T CA 2.216 64.304 62.100 -0.019 0.000 1.142 355 T CB -0.606 68.270 68.868 0.014 0.000 0.866 355 T HN 0.548 nan 8.240 nan 0.000 0.444 356 T N 1.239 115.761 114.554 -0.053 0.000 2.857 356 T HA 0.085 4.442 4.350 0.011 0.000 0.266 356 T C 2.063 176.711 174.700 -0.087 0.000 1.048 356 T CA 0.554 62.634 62.100 -0.034 0.000 1.139 356 T CB -0.667 68.209 68.868 0.014 0.000 0.874 356 T HN 0.223 nan 8.240 nan 0.000 0.455 357 L N 0.742 121.799 121.223 -0.277 0.000 2.012 357 L HA -0.108 4.239 4.340 0.011 0.000 0.210 357 L C 3.197 180.033 176.870 -0.058 0.000 1.073 357 L CA 1.773 56.408 54.840 -0.343 0.000 0.748 357 L CB -0.629 40.893 42.059 -0.895 0.000 0.891 357 L HN 0.328 nan 8.230 nan 0.000 0.431 358 E N 0.129 120.331 120.200 0.003 0.000 2.160 358 E HA -0.269 4.088 4.350 0.011 0.000 0.195 358 E C 2.048 178.687 176.600 0.066 0.000 0.991 358 E CA 1.360 57.821 56.400 0.102 0.000 0.810 358 E CB -0.052 29.701 29.700 0.089 0.000 0.742 358 E HN 0.507 nan 8.360 nan 0.000 0.466 359 K N 0.272 120.696 120.400 0.040 0.000 2.098 359 K HA -0.022 4.305 4.320 0.011 0.000 0.203 359 K C 2.240 178.870 176.600 0.051 0.000 1.051 359 K CA 1.119 57.430 56.287 0.041 0.000 0.957 359 K CB -0.111 32.407 32.500 0.031 0.000 0.738 359 K HN 0.035 nan 8.250 nan 0.000 0.447 360 c N 0.816 119.458 118.600 0.069 0.000 2.457 360 c HA 0.002 4.579 4.570 0.011 0.000 0.278 360 c C 2.698 176.859 174.090 0.118 0.000 1.309 360 c CA 0.197 56.587 56.329 0.102 0.000 1.735 360 c CB -0.838 41.791 42.510 0.198 0.000 1.992 360 c HN 0.654 nan 8.230 nan 0.000 0.493 361 c N 1.104 119.784 118.600 0.134 0.000 2.430 361 c HA 0.050 4.627 4.570 0.011 0.000 0.288 361 c C 2.694 176.835 174.090 0.084 0.000 1.448 361 c CA 1.174 57.584 56.329 0.134 0.000 1.784 361 c CB -1.715 40.891 42.510 0.159 0.000 1.776 361 c HN 0.721 nan 8.230 nan 0.000 0.547 362 A N -0.381 122.479 122.820 0.067 0.000 2.252 362 A HA 0.617 4.944 4.320 0.011 0.000 0.213 362 A C 1.140 178.743 177.584 0.032 0.000 1.188 362 A CA 0.703 52.767 52.037 0.043 0.000 0.863 362 A CB -0.141 18.882 19.000 0.039 0.000 0.893 362 A HN 0.463 nan 8.150 nan 0.000 0.495 363 A N -1.010 121.830 122.820 0.033 0.000 2.286 363 A HA 0.664 4.991 4.320 0.011 0.000 0.286 363 A C 1.593 179.182 177.584 0.009 0.000 1.097 363 A CA 0.181 52.228 52.037 0.017 0.000 0.821 363 A CB 0.108 19.115 19.000 0.012 0.000 1.076 363 A HN 1.142 nan 8.150 nan 0.000 0.490 364 A N 0.521 123.341 122.820 0.001 0.000 1.870 364 A HA -0.194 4.133 4.320 0.011 0.000 0.219 364 A C 1.064 178.642 177.584 -0.010 0.000 1.286 364 A CA 2.421 54.456 52.037 -0.004 0.000 0.682 364 A CB -0.654 18.342 19.000 -0.007 0.000 0.844 364 A HN 0.783 nan 8.150 nan 0.000 0.460 365 D N -1.105 119.281 120.400 -0.023 0.000 2.505 365 D HA 0.392 5.039 4.640 0.011 0.000 0.242 365 D C -1.768 174.489 176.300 -0.073 0.000 1.136 365 D CA -2.276 51.703 54.000 -0.036 0.000 0.954 365 D CB 0.756 41.533 40.800 -0.038 0.000 1.002 365 D HN 0.013 nan 8.370 nan 0.000 0.512 366 P HA -0.241 nan 4.420 nan 0.000 0.209 366 P C 1.188 178.193 177.300 -0.490 0.000 1.167 366 P CA 1.487 64.531 63.100 -0.092 0.000 0.941 366 P CB -0.058 31.685 31.700 0.070 0.000 0.787 367 H N -0.485 118.232 119.070 -0.587 0.000 2.450 367 H HA -0.207 4.357 4.556 0.014 0.000 0.291 367 H C 1.638 176.486 175.328 -0.801 0.000 1.128 367 H CA 2.103 57.606 56.048 -0.907 0.000 1.203 367 H CB -0.069 29.515 29.762 -0.297 0.000 1.356 367 H HN 0.161 nan 8.280 nan 0.000 0.503 368 E N -0.876 119.096 120.200 -0.380 0.000 2.190 368 E HA -0.085 4.271 4.350 0.011 0.000 0.191 368 E C 2.586 179.027 176.600 -0.265 0.000 0.978 368 E CA 0.715 56.968 56.400 -0.245 0.000 0.839 368 E CB -0.756 28.889 29.700 -0.091 0.000 0.787 368 E HN 0.540 nan 8.360 nan 0.000 0.473 369 c N 1.677 120.110 118.600 -0.278 0.000 2.432 369 c HA -0.159 4.418 4.570 0.011 0.000 0.277 369 c C 2.393 176.434 174.090 -0.082 0.000 1.249 369 c CA 1.103 57.348 56.329 -0.139 0.000 1.725 369 c CB -1.129 41.339 42.510 -0.071 0.000 2.028 369 c HN 0.523 nan 8.230 nan 0.000 0.477 370 Y N 0.866 121.118 120.300 -0.080 0.000 2.537 370 Y HA 0.635 5.190 4.550 0.008 0.000 0.303 370 Y C 1.646 177.462 175.900 -0.140 0.000 1.176 370 Y CA -0.325 57.722 58.100 -0.089 0.000 1.273 370 Y CB -1.562 36.851 38.460 -0.078 0.000 1.110 370 Y HN 0.237 nan 8.280 nan 0.000 0.518 371 A N 1.599 124.351 122.820 -0.113 0.000 1.865 371 A HA -0.066 4.261 4.320 0.011 0.000 0.217 371 A C 1.958 179.498 177.584 -0.072 0.000 1.191 371 A CA 1.926 53.880 52.037 -0.138 0.000 0.623 371 A CB -1.038 17.863 19.000 -0.166 0.000 0.826 371 A HN 0.473 nan 8.150 nan 0.000 0.444 372 K N 0.173 120.546 120.400 -0.045 0.000 2.997 372 K HA 0.609 4.936 4.320 0.011 0.000 0.249 372 K C 0.787 177.368 176.600 -0.031 0.000 1.284 372 K CA 0.404 56.668 56.287 -0.038 0.000 1.245 372 K CB -0.491 31.998 32.500 -0.018 0.000 1.670 372 K HN 0.247 nan 8.250 nan 0.000 0.385 373 V N -0.141 119.741 119.914 -0.053 0.000 2.488 373 V HA -0.026 4.100 4.120 0.011 0.000 0.246 373 V C 1.627 177.548 176.094 -0.287 0.000 1.046 373 V CA 1.250 63.503 62.300 -0.080 0.000 1.053 373 V CB -0.538 31.296 31.823 0.019 0.000 0.679 373 V HN 0.758 nan 8.190 nan 0.000 0.458 374 F N 0.562 120.179 119.950 -0.555 0.000 2.451 374 F HA -0.053 4.479 4.527 0.008 0.000 0.299 374 F C 2.094 177.737 175.800 -0.263 0.000 1.101 374 F CA 0.743 58.355 58.000 -0.648 0.000 1.436 374 F CB -0.880 37.982 39.000 -0.229 0.000 1.074 374 F HN 0.302 nan 8.300 nan 0.000 0.553 375 D N -0.039 120.376 120.400 0.025 0.000 2.224 375 D HA -0.113 4.534 4.640 0.011 0.000 0.205 375 D C 1.982 178.318 176.300 0.060 0.000 0.965 375 D CA 0.889 54.921 54.000 0.053 0.000 0.852 375 D CB -0.187 40.634 40.800 0.035 0.000 0.947 375 D HN 0.377 nan 8.370 nan 0.000 0.494 376 E N -0.476 119.746 120.200 0.037 0.000 2.285 376 E HA -0.071 4.286 4.350 0.011 0.000 0.194 376 E C 1.545 178.298 176.600 0.255 0.000 0.997 376 E CA 0.243 56.712 56.400 0.115 0.000 0.845 376 E CB 0.010 29.780 29.700 0.117 0.000 0.782 376 E HN 0.213 nan 8.360 nan 0.000 0.491 377 F N 1.727 121.710 119.950 0.054 0.000 2.146 377 F HA -0.069 4.460 4.527 0.003 0.000 0.298 377 F C 2.288 178.065 175.800 -0.038 0.000 1.096 377 F CA 0.772 58.759 58.000 -0.022 0.000 1.275 377 F CB -0.903 38.064 39.000 -0.056 0.000 1.008 377 F HN -0.087 nan 8.300 nan 0.000 0.480 378 K N 1.079 121.600 120.400 0.202 0.000 2.044 378 K HA -0.229 4.098 4.320 0.011 0.000 0.224 378 K C -0.708 175.919 176.600 0.045 0.000 1.056 378 K CA 2.682 59.033 56.287 0.106 0.000 0.962 378 K CB -1.447 31.108 32.500 0.091 0.000 0.730 378 K HN 0.106 nan 8.250 nan 0.000 0.453 379 P HA -0.152 nan 4.420 nan 0.000 0.218 379 P C 1.137 178.422 177.300 -0.026 0.000 1.149 379 P CA 1.078 64.184 63.100 0.010 0.000 0.817 379 P CB 0.025 31.737 31.700 0.021 0.000 0.785 380 L N -0.823 120.379 121.223 -0.035 0.000 2.201 380 L HA -0.084 4.263 4.340 0.011 0.000 0.212 380 L C 2.590 179.350 176.870 -0.184 0.000 1.105 380 L CA 1.388 56.167 54.840 -0.101 0.000 0.775 380 L CB -1.397 40.589 42.059 -0.121 0.000 0.913 380 L HN -0.145 nan 8.230 nan 0.000 0.440 381 V N -0.902 118.897 119.914 -0.191 0.000 2.500 381 V HA -0.105 4.022 4.120 0.011 0.000 0.243 381 V C 2.189 178.163 176.094 -0.199 0.000 1.039 381 V CA 0.997 63.115 62.300 -0.304 0.000 1.053 381 V CB -0.453 31.201 31.823 -0.282 0.000 0.695 381 V HN 0.453 nan 8.190 nan 0.000 0.463 382 E N 1.086 121.226 120.200 -0.100 0.000 2.208 382 E HA -0.251 4.106 4.350 0.011 0.000 0.193 382 E C 2.003 178.570 176.600 -0.055 0.000 0.988 382 E CA 1.267 57.633 56.400 -0.057 0.000 0.828 382 E CB -0.116 29.572 29.700 -0.020 0.000 0.763 382 E HN 0.788 nan 8.360 nan 0.000 0.478 383 E N 3.015 123.177 120.200 -0.064 0.000 2.033 383 E HA -0.169 4.188 4.350 0.011 0.000 0.199 383 E C -0.525 176.045 176.600 -0.049 0.000 1.011 383 E CA 1.876 58.247 56.400 -0.047 0.000 0.815 383 E CB -1.176 28.494 29.700 -0.050 0.000 0.755 383 E HN 0.161 nan 8.360 nan 0.000 0.451 384 P HA -0.081 nan 4.420 nan 0.000 0.225 384 P C 1.163 178.431 177.300 -0.054 0.000 1.156 384 P CA 1.240 64.299 63.100 -0.068 0.000 0.787 384 P CB 0.061 31.696 31.700 -0.108 0.000 0.802 385 Q N -0.319 119.442 119.800 -0.066 0.000 2.079 385 Q HA -0.109 4.238 4.340 0.011 0.000 0.200 385 Q C 1.990 177.984 176.000 -0.011 0.000 0.974 385 Q CA 1.253 57.034 55.803 -0.037 0.000 0.840 385 Q CB -0.296 28.420 28.738 -0.038 0.000 0.898 385 Q HN 0.255 nan 8.270 nan 0.000 0.430 386 N N 0.364 119.058 118.700 -0.009 0.000 2.171 386 N HA -0.084 4.663 4.740 0.011 0.000 0.184 386 N C 1.769 177.288 175.510 0.015 0.000 1.021 386 N CA 0.782 53.835 53.050 0.005 0.000 0.854 386 N CB -0.205 38.285 38.487 0.005 0.000 0.994 386 N HN 0.191 nan 8.380 nan 0.000 0.426 387 L N 0.887 122.119 121.223 0.015 0.000 2.042 387 L HA -0.114 4.233 4.340 0.011 0.000 0.210 387 L C 2.064 178.958 176.870 0.040 0.000 1.076 387 L CA 1.030 55.890 54.840 0.033 0.000 0.749 387 L CB -0.343 41.736 42.059 0.033 0.000 0.893 387 L HN 0.164 nan 8.230 nan 0.000 0.432 388 I N 0.183 120.766 120.570 0.022 0.000 2.286 388 I HA -0.270 3.907 4.170 0.011 0.000 0.245 388 I C 3.115 179.242 176.117 0.017 0.000 1.104 388 I CA 1.482 62.793 61.300 0.019 0.000 1.397 388 I CB -0.950 37.053 38.000 0.006 0.000 1.072 388 I HN 0.219 nan 8.210 nan 0.000 0.417 389 K N 0.912 121.322 120.400 0.017 0.000 1.991 389 K HA -0.264 4.063 4.320 0.011 0.000 0.212 389 K C 2.009 178.625 176.600 0.027 0.000 1.049 389 K CA 2.002 58.300 56.287 0.019 0.000 0.932 389 K CB -1.296 31.215 32.500 0.018 0.000 0.717 389 K HN 0.333 nan 8.250 nan 0.000 0.441 390 Q N 0.452 120.274 119.800 0.036 0.000 2.047 390 Q HA -0.191 4.156 4.340 0.011 0.000 0.211 390 Q C 2.243 178.289 176.000 0.075 0.000 1.005 390 Q CA 2.568 58.401 55.803 0.051 0.000 0.866 390 Q CB -0.195 28.575 28.738 0.053 0.000 0.938 390 Q HN 0.741 nan 8.270 nan 0.000 0.414 391 N N -1.265 117.490 118.700 0.092 0.000 2.396 391 N HA -0.092 4.655 4.740 0.011 0.000 0.180 391 N C 1.317 176.829 175.510 0.003 0.000 1.028 391 N CA 0.937 54.074 53.050 0.145 0.000 0.893 391 N CB 0.075 38.690 38.487 0.213 0.000 0.967 391 N HN 0.335 nan 8.380 nan 0.000 0.440 392 c N 0.317 118.904 118.600 -0.021 0.000 2.551 392 c HA 0.111 4.687 4.570 0.011 0.000 0.277 392 c C 2.451 176.549 174.090 0.014 0.000 1.349 392 c CA -0.244 56.051 56.329 -0.056 0.000 1.750 392 c CB -0.418 42.058 42.510 -0.057 0.000 2.058 392 c HN 0.443 nan 8.230 nan 0.000 0.518 393 E N 0.555 120.770 120.200 0.024 0.000 2.150 393 E HA -0.182 4.175 4.350 0.011 0.000 0.193 393 E C 1.940 178.560 176.600 0.033 0.000 0.985 393 E CA 0.887 57.305 56.400 0.030 0.000 0.814 393 E CB 0.002 29.720 29.700 0.030 0.000 0.752 393 E HN 0.518 nan 8.360 nan 0.000 0.466 394 L N -0.105 121.149 121.223 0.051 0.000 2.084 394 L HA -0.056 4.291 4.340 0.011 0.000 0.202 394 L C 2.119 179.003 176.870 0.023 0.000 1.074 394 L CA 1.214 56.105 54.840 0.084 0.000 0.757 394 L CB -0.538 41.645 42.059 0.207 0.000 0.918 394 L HN 0.122 nan 8.230 nan 0.000 0.444 395 F N 1.062 120.785 119.950 -0.379 0.000 2.236 395 F HA -0.219 4.314 4.527 0.011 0.000 0.302 395 F C 2.185 177.832 175.800 -0.255 0.000 1.073 395 F CA 2.023 59.635 58.000 -0.648 0.000 1.336 395 F CB -0.595 37.737 39.000 -1.113 0.000 1.040 395 F HN 0.260 nan 8.300 nan 0.000 0.507 396 E N 0.706 120.858 120.200 -0.080 0.000 2.016 396 E HA -0.219 4.138 4.350 0.011 0.000 0.190 396 E C 1.884 178.394 176.600 -0.151 0.000 0.985 396 E CA 1.501 57.841 56.400 -0.101 0.000 0.802 396 E CB -0.992 28.714 29.700 0.011 0.000 0.762 396 E HN 0.750 nan 8.360 nan 0.000 0.448 397 Q N -0.128 119.623 119.800 -0.081 0.000 1.956 397 Q HA -0.029 4.318 4.340 0.011 0.000 0.208 397 Q C 1.178 177.128 176.000 -0.082 0.000 0.998 397 Q CA 1.490 57.259 55.803 -0.057 0.000 0.855 397 Q CB -0.674 28.054 28.738 -0.016 0.000 0.928 397 Q HN 0.622 nan 8.270 nan 0.000 0.418 398 L N -0.217 120.962 121.223 -0.072 0.000 2.270 398 L HA 0.581 4.928 4.340 0.011 0.000 0.286 398 L C 0.667 177.445 176.870 -0.154 0.000 1.059 398 L CA -0.972 53.834 54.840 -0.057 0.000 0.839 398 L CB 0.443 42.513 42.059 0.018 0.000 1.221 398 L HN 0.091 nan 8.230 nan 0.000 0.431 399 G N 1.781 110.456 108.800 -0.209 0.000 2.833 399 G HA2 -0.207 3.760 3.960 0.011 0.000 0.498 399 G HA3 -0.207 3.760 3.960 0.011 0.000 0.498 399 G C 0.689 175.416 174.900 -0.289 0.000 1.262 399 G CA 0.602 45.495 45.100 -0.345 0.000 1.262 399 G HN 0.932 nan 8.290 nan 0.000 0.749 400 E N -1.291 118.792 120.200 -0.194 0.000 2.058 400 E HA -0.260 4.097 4.350 0.011 0.000 0.194 400 E C 2.036 178.787 176.600 0.253 0.000 0.997 400 E CA 1.696 58.204 56.400 0.180 0.000 0.801 400 E CB -0.288 29.578 29.700 0.277 0.000 0.746 400 E HN 0.601 nan 8.360 nan 0.000 0.450 401 Y N 1.226 121.574 120.300 0.080 0.000 2.114 401 Y HA -0.214 4.344 4.550 0.013 0.000 0.284 401 Y C 2.561 178.501 175.900 0.067 0.000 1.143 401 Y CA 2.217 60.360 58.100 0.071 0.000 1.135 401 Y CB -0.489 37.996 38.460 0.042 0.000 0.980 401 Y HN -0.161 nan 8.280 nan 0.000 0.499 402 K N -0.023 120.358 120.400 -0.033 0.000 2.103 402 K HA -0.184 4.143 4.320 0.011 0.000 0.207 402 K C 1.921 178.475 176.600 -0.077 0.000 1.048 402 K CA 1.407 57.620 56.287 -0.122 0.000 0.930 402 K CB -1.342 31.172 32.500 0.023 0.000 0.716 402 K HN 0.578 nan 8.250 nan 0.000 0.444 403 F N 1.856 121.744 119.950 -0.104 0.000 2.134 403 F HA -0.143 4.390 4.527 0.010 0.000 0.299 403 F C 2.313 178.094 175.800 -0.032 0.000 1.097 403 F CA 1.594 59.577 58.000 -0.028 0.000 1.264 403 F CB -0.411 38.640 39.000 0.085 0.000 1.001 403 F HN 0.156 nan 8.300 nan 0.000 0.479 404 Q N -0.093 119.639 119.800 -0.113 0.000 2.234 404 Q HA -0.222 4.125 4.340 0.011 0.000 0.206 404 Q C 1.682 177.512 176.000 -0.282 0.000 0.980 404 Q CA 1.548 57.232 55.803 -0.199 0.000 0.869 404 Q CB -0.254 28.441 28.738 -0.072 0.000 0.912 404 Q HN 0.432 nan 8.270 nan 0.000 0.436 405 N N -0.016 118.485 118.700 -0.332 0.000 2.300 405 N HA -0.041 4.706 4.740 0.011 0.000 0.179 405 N C 1.426 176.792 175.510 -0.240 0.000 1.016 405 N CA 1.091 53.963 53.050 -0.297 0.000 0.876 405 N CB -0.240 38.035 38.487 -0.354 0.000 0.979 405 N HN 0.202 nan 8.380 nan 0.000 0.432 406 A N 1.098 123.763 122.820 -0.258 0.000 1.930 406 A HA -0.018 4.309 4.320 0.011 0.000 0.217 406 A C 2.242 179.636 177.584 -0.316 0.000 1.175 406 A CA 0.839 52.735 52.037 -0.234 0.000 0.627 406 A CB -0.613 18.279 19.000 -0.180 0.000 0.815 406 A HN 0.181 nan 8.150 nan 0.000 0.443 407 L N -1.247 119.722 121.223 -0.422 0.000 2.027 407 L HA -0.146 4.201 4.340 0.011 0.000 0.206 407 L C 2.503 179.215 176.870 -0.262 0.000 1.074 407 L CA 0.743 55.332 54.840 -0.419 0.000 0.745 407 L CB -0.656 41.221 42.059 -0.304 0.000 0.898 407 L HN 0.318 nan 8.230 nan 0.000 0.433 408 L N -0.071 121.058 121.223 -0.158 0.000 1.997 408 L HA -0.245 4.102 4.340 0.011 0.000 0.216 408 L C 2.496 179.308 176.870 -0.097 0.000 1.074 408 L CA 1.786 56.578 54.840 -0.079 0.000 0.763 408 L CB -0.712 41.289 42.059 -0.096 0.000 0.890 408 L HN -0.023 nan 8.230 nan 0.000 0.434 409 V N -0.700 119.130 119.914 -0.140 0.000 2.343 409 V HA -0.299 3.828 4.120 0.011 0.000 0.247 409 V C 2.691 178.690 176.094 -0.158 0.000 1.051 409 V CA 1.975 64.201 62.300 -0.123 0.000 1.036 409 V CB -0.704 31.049 31.823 -0.118 0.000 0.654 409 V HN 0.487 nan 8.190 nan 0.000 0.451 410 R N -0.794 119.544 120.500 -0.270 0.000 2.070 410 R HA -0.192 4.155 4.340 0.011 0.000 0.233 410 R C 2.358 178.446 176.300 -0.354 0.000 1.137 410 R CA 2.128 57.999 56.100 -0.382 0.000 0.945 410 R CB -0.387 29.530 30.300 -0.639 0.000 0.845 410 R HN 0.508 nan 8.270 nan 0.000 0.430 411 Y N 0.104 120.358 120.300 -0.076 0.000 2.286 411 Y HA -0.013 4.542 4.550 0.009 0.000 0.293 411 Y C 2.503 178.360 175.900 -0.072 0.000 1.124 411 Y CA 1.316 59.376 58.100 -0.066 0.000 1.178 411 Y CB -0.678 37.737 38.460 -0.076 0.000 1.010 411 Y HN 0.089 nan 8.280 nan 0.000 0.536 412 T N 0.020 114.595 114.554 0.035 0.000 2.759 412 T HA -0.186 4.171 4.350 0.011 0.000 0.269 412 T C 1.818 176.468 174.700 -0.083 0.000 1.042 412 T CA 1.564 63.646 62.100 -0.029 0.000 1.140 412 T CB -0.168 68.677 68.868 -0.040 0.000 0.864 412 T HN 0.280 nan 8.240 nan 0.000 0.455 413 K N 0.476 120.833 120.400 -0.071 0.000 2.288 413 K HA 0.035 4.362 4.320 0.011 0.000 0.201 413 K C 2.346 178.914 176.600 -0.054 0.000 1.048 413 K CA 0.719 56.961 56.287 -0.075 0.000 0.956 413 K CB 0.116 32.580 32.500 -0.060 0.000 0.746 413 K HN 0.236 nan 8.250 nan 0.000 0.461 414 K N 0.106 120.498 120.400 -0.013 0.000 2.098 414 K HA 0.030 4.357 4.320 0.011 0.000 0.203 414 K C 0.502 177.110 176.600 0.013 0.000 1.051 414 K CA 0.852 57.155 56.287 0.026 0.000 0.957 414 K CB 0.611 33.173 32.500 0.104 0.000 0.738 414 K HN -0.107 nan 8.250 nan 0.000 0.447 415 V N 2.932 122.846 119.914 0.000 0.000 2.384 415 V HA 0.122 4.249 4.120 0.011 0.000 0.257 415 V C -2.271 173.768 176.094 -0.091 0.000 0.969 415 V CA -0.975 61.314 62.300 -0.019 0.000 0.910 415 V CB 1.219 33.059 31.823 0.028 0.000 1.150 415 V HN -0.028 nan 8.190 nan 0.000 0.481 416 P HA -0.131 nan 4.420 nan 0.000 0.219 416 P C 1.354 178.491 177.300 -0.271 0.000 1.146 416 P CA 1.056 63.873 63.100 -0.473 0.000 0.808 416 P CB 0.278 31.181 31.700 -1.329 0.000 0.779 417 Q N -0.918 118.820 119.800 -0.104 0.000 2.437 417 Q HA -0.009 4.337 4.340 0.011 0.000 0.210 417 Q C 0.549 176.577 176.000 0.047 0.000 0.972 417 Q CA 0.443 56.274 55.803 0.046 0.000 0.903 417 Q CB -0.872 27.924 28.738 0.097 0.000 0.967 417 Q HN 0.137 nan 8.270 nan 0.000 0.486 418 V N 0.672 120.599 119.914 0.021 0.000 2.811 418 V HA 0.027 4.154 4.120 0.011 0.000 0.302 418 V C 0.584 176.693 176.094 0.025 0.000 1.063 418 V CA -0.469 61.855 62.300 0.039 0.000 1.088 418 V CB 1.509 33.350 31.823 0.030 0.000 0.982 418 V HN 0.133 nan 8.190 nan 0.000 0.485 419 S N 2.776 118.494 115.700 0.030 0.000 2.552 419 S HA -0.023 4.454 4.470 0.011 0.000 0.289 419 S C 1.483 176.090 174.600 0.011 0.000 1.304 419 S CA 0.227 58.439 58.200 0.020 0.000 1.063 419 S CB 0.642 63.853 63.200 0.019 0.000 0.848 419 S HN 0.914 nan 8.310 nan 0.000 0.499 420 T N 6.606 121.164 114.554 0.007 0.000 2.684 420 T HA -0.054 4.303 4.350 0.011 0.000 0.267 420 T C -0.951 173.751 174.700 0.003 0.000 1.036 420 T CA 1.564 63.665 62.100 0.002 0.000 1.148 420 T CB -0.932 67.933 68.868 -0.005 0.000 0.863 420 T HN 0.671 nan 8.240 nan 0.000 0.436 421 P HA 0.014 nan 4.420 nan 0.000 0.223 421 P C 1.296 178.600 177.300 0.006 0.000 1.151 421 P CA 1.058 64.162 63.100 0.006 0.000 0.787 421 P CB -0.193 31.511 31.700 0.006 0.000 0.788 422 T N 0.219 114.776 114.554 0.005 0.000 2.809 422 T HA 0.042 4.399 4.350 0.011 0.000 0.260 422 T C 1.870 176.564 174.700 -0.009 0.000 1.039 422 T CA 0.728 62.828 62.100 0.001 0.000 1.141 422 T CB -0.727 68.146 68.868 0.009 0.000 0.869 422 T HN 0.027 nan 8.240 nan 0.000 0.437 423 L N 0.955 122.175 121.223 -0.005 0.000 2.187 423 L HA -0.087 4.260 4.340 0.011 0.000 0.213 423 L C 2.448 179.316 176.870 -0.003 0.000 1.100 423 L CA 0.741 55.578 54.840 -0.006 0.000 0.765 423 L CB -0.405 41.656 42.059 0.003 0.000 0.904 423 L HN 0.167 nan 8.230 nan 0.000 0.437 424 V N -1.164 118.750 119.914 -0.000 0.000 2.346 424 V HA -0.237 3.890 4.120 0.011 0.000 0.244 424 V C 2.552 178.648 176.094 0.004 0.000 1.037 424 V CA 1.713 64.015 62.300 0.005 0.000 1.029 424 V CB -0.107 31.725 31.823 0.014 0.000 0.663 424 V HN 0.394 nan 8.190 nan 0.000 0.454 425 E N 0.226 120.427 120.200 0.001 0.000 2.058 425 E HA -0.216 4.140 4.350 0.011 0.000 0.194 425 E C 2.334 178.923 176.600 -0.018 0.000 0.997 425 E CA 1.735 58.134 56.400 -0.001 0.000 0.801 425 E CB -0.425 29.274 29.700 -0.001 0.000 0.746 425 E HN 0.675 nan 8.360 nan 0.000 0.450 426 V N -0.741 119.148 119.914 -0.041 0.000 2.261 426 V HA -0.168 3.959 4.120 0.011 0.000 0.246 426 V C 2.351 178.404 176.094 -0.068 0.000 1.047 426 V CA 2.485 64.736 62.300 -0.083 0.000 1.015 426 V CB -1.254 30.480 31.823 -0.148 0.000 0.642 426 V HN 0.406 nan 8.190 nan 0.000 0.446 427 S N 0.012 115.692 115.700 -0.034 0.000 2.400 427 S HA -0.134 4.343 4.470 0.011 0.000 0.232 427 S C 2.057 176.651 174.600 -0.010 0.000 1.025 427 S CA 1.869 60.068 58.200 -0.001 0.000 0.993 427 S CB -0.472 62.736 63.200 0.013 0.000 0.808 427 S HN 0.626 nan 8.310 nan 0.000 0.478 428 R N 1.245 121.745 120.500 0.001 0.000 2.062 428 R HA 0.030 4.377 4.340 0.011 0.000 0.229 428 R C 1.946 178.264 176.300 0.030 0.000 1.128 428 R CA 1.229 57.345 56.100 0.026 0.000 0.960 428 R CB -0.402 29.919 30.300 0.035 0.000 0.855 428 R HN 0.372 nan 8.270 nan 0.000 0.432 429 N N 0.971 119.674 118.700 0.006 0.000 2.058 429 N HA -0.146 4.601 4.740 0.011 0.000 0.191 429 N C 1.770 177.277 175.510 -0.004 0.000 1.037 429 N CA 0.993 54.040 53.050 -0.004 0.000 0.848 429 N CB -0.426 38.050 38.487 -0.018 0.000 1.021 429 N HN 0.021 nan 8.380 nan 0.000 0.422 430 L N 1.128 122.347 121.223 -0.006 0.000 2.081 430 L HA -0.088 4.258 4.340 0.011 0.000 0.212 430 L C 2.288 179.230 176.870 0.121 0.000 1.080 430 L CA 1.544 56.400 54.840 0.026 0.000 0.754 430 L CB -1.389 40.676 42.059 0.010 0.000 0.893 430 L HN 0.229 nan 8.230 nan 0.000 0.433 431 G N -1.030 107.854 108.800 0.139 0.000 2.418 431 G HA2 -0.228 3.739 3.960 0.011 0.000 0.217 431 G HA3 -0.228 3.739 3.960 0.011 0.000 0.217 431 G C 1.623 176.663 174.900 0.234 0.000 1.158 431 G CA 0.470 45.766 45.100 0.326 0.000 0.771 431 G HN 0.383 nan 8.290 nan 0.000 0.545 432 K N 0.353 120.805 120.400 0.087 0.000 2.147 432 K HA 0.004 4.331 4.320 0.011 0.000 0.205 432 K C 2.448 178.947 176.600 -0.170 0.000 1.049 432 K CA 0.856 57.133 56.287 -0.017 0.000 0.936 432 K CB -0.349 32.123 32.500 -0.046 0.000 0.722 432 K HN 0.265 nan 8.250 nan 0.000 0.446 433 V N 1.370 121.181 119.914 -0.172 0.000 2.427 433 V HA -0.165 3.962 4.120 0.011 0.000 0.248 433 V C 2.504 178.461 176.094 -0.229 0.000 1.051 433 V CA 2.165 64.302 62.300 -0.272 0.000 1.048 433 V CB -0.995 30.770 31.823 -0.097 0.000 0.666 433 V HN 0.472 nan 8.190 nan 0.000 0.456 434 G N -0.602 108.080 108.800 -0.197 0.000 2.418 434 G HA2 -0.223 3.744 3.960 0.011 0.000 0.217 434 G HA3 -0.223 3.744 3.960 0.011 0.000 0.217 434 G C 1.844 176.154 174.900 -0.983 0.000 1.158 434 G CA 1.171 45.958 45.100 -0.522 0.000 0.771 434 G HN 0.513 nan 8.290 nan 0.000 0.545 435 S N 0.291 115.545 115.700 -0.744 0.000 2.368 435 S HA -0.057 4.420 4.470 0.011 0.000 0.224 435 S C 2.226 176.651 174.600 -0.293 0.000 1.029 435 S CA 1.573 59.466 58.200 -0.512 0.000 0.988 435 S CB -0.150 63.052 63.200 0.002 0.000 0.838 435 S HN 0.336 nan 8.310 nan 0.000 0.462 436 K N 0.934 121.191 120.400 -0.238 0.000 2.025 436 K HA 0.023 4.350 4.320 0.011 0.000 0.207 436 K C 2.017 178.631 176.600 0.024 0.000 1.049 436 K CA 1.537 57.750 56.287 -0.123 0.000 0.933 436 K CB -0.575 31.763 32.500 -0.270 0.000 0.714 436 K HN 0.387 nan 8.250 nan 0.000 0.438 437 c N -0.837 117.766 118.600 0.005 0.000 2.512 437 c HA 0.114 4.691 4.570 0.011 0.000 0.276 437 c C 2.456 176.593 174.090 0.078 0.000 1.368 437 c CA -0.122 56.319 56.329 0.187 0.000 1.755 437 c CB -0.764 41.809 42.510 0.105 0.000 2.008 437 c HN 0.564 nan 8.230 nan 0.000 0.511 438 c N 1.328 119.827 118.600 -0.168 0.000 2.472 438 c HA 0.031 4.608 4.570 0.011 0.000 0.278 438 c C 2.896 176.932 174.090 -0.091 0.000 1.447 438 c CA 1.436 57.663 56.329 -0.170 0.000 1.773 438 c CB -1.641 40.647 42.510 -0.369 0.000 1.793 438 c HN 0.750 nan 8.230 nan 0.000 0.544 439 K N -0.116 120.208 120.400 -0.126 0.000 2.432 439 K HA -0.007 4.320 4.320 0.011 0.000 0.196 439 K C 0.694 177.187 176.600 -0.177 0.000 1.038 439 K CA 0.696 56.892 56.287 -0.151 0.000 0.986 439 K CB -0.535 31.837 32.500 -0.214 0.000 0.782 439 K HN 0.722 nan 8.250 nan 0.000 0.485 440 H N 0.385 119.443 119.070 -0.021 0.000 2.505 440 H HA 0.253 4.816 4.556 0.012 0.000 0.351 440 H C -2.307 173.016 175.328 -0.008 0.000 1.151 440 H CA -2.295 53.748 56.048 -0.008 0.000 1.339 440 H CB 1.297 31.058 29.762 -0.002 0.000 1.483 440 H HN 0.085 nan 8.280 nan 0.000 0.558 441 P HA -0.041 nan 4.420 nan 0.000 0.271 441 P C 1.034 178.373 177.300 0.064 0.000 1.244 441 P CA -0.007 63.135 63.100 0.070 0.000 0.793 441 P CB 0.947 32.679 31.700 0.053 0.000 0.984 442 E N 0.938 121.164 120.200 0.042 0.000 2.070 442 E HA -0.273 4.084 4.350 0.011 0.000 0.197 442 E C 1.774 178.396 176.600 0.036 0.000 1.004 442 E CA 1.661 58.084 56.400 0.037 0.000 0.805 442 E CB -0.587 29.133 29.700 0.033 0.000 0.744 442 E HN 0.453 nan 8.360 nan 0.000 0.451 443 A N 0.452 123.290 122.820 0.030 0.000 2.076 443 A HA -0.171 4.156 4.320 0.011 0.000 0.220 443 A C 1.774 179.358 177.584 -0.000 0.000 1.160 443 A CA 1.465 53.514 52.037 0.020 0.000 0.653 443 A CB -0.157 18.846 19.000 0.004 0.000 0.801 443 A HN 0.160 nan 8.150 nan 0.000 0.455 444 K N -1.468 118.927 120.400 -0.008 0.000 2.358 444 K HA 0.175 4.502 4.320 0.011 0.000 0.200 444 K C 1.772 178.304 176.600 -0.113 0.000 1.030 444 K CA -0.211 56.029 56.287 -0.077 0.000 1.097 444 K CB 0.352 32.789 32.500 -0.105 0.000 0.862 444 K HN 0.349 nan 8.250 nan 0.000 0.534 445 R N 0.978 121.459 120.500 -0.031 0.000 2.064 445 R HA -0.026 4.321 4.340 0.011 0.000 0.228 445 R C 2.314 178.598 176.300 -0.026 0.000 1.144 445 R CA 1.622 57.712 56.100 -0.016 0.000 0.932 445 R CB -0.252 30.058 30.300 0.018 0.000 0.833 445 R HN 0.103 nan 8.270 nan 0.000 0.429 446 M N 0.909 120.501 119.600 -0.013 0.000 2.089 446 M HA -0.137 4.350 4.480 0.011 0.000 0.257 446 M C -1.010 175.271 176.300 -0.033 0.000 1.071 446 M CA 2.075 57.364 55.300 -0.019 0.000 1.096 446 M CB -0.666 31.925 32.600 -0.014 0.000 1.330 446 M HN -0.030 nan 8.290 nan 0.000 0.403 447 P HA -0.116 nan 4.420 nan 0.000 0.217 447 P C 1.682 178.927 177.300 -0.092 0.000 1.150 447 P CA 1.188 64.243 63.100 -0.075 0.000 0.832 447 P CB -0.385 31.256 31.700 -0.099 0.000 0.787 448 c N -0.129 118.409 118.600 -0.104 0.000 2.462 448 c HA -0.003 4.574 4.570 0.011 0.000 0.278 448 c C 2.862 176.981 174.090 0.048 0.000 1.253 448 c CA 1.524 57.806 56.329 -0.078 0.000 1.713 448 c CB -1.631 40.823 42.510 -0.094 0.000 2.049 448 c HN 0.223 nan 8.230 nan 0.000 0.477 449 A N 0.032 122.891 122.820 0.066 0.000 1.883 449 A HA -0.268 4.059 4.320 0.011 0.000 0.217 449 A C 2.213 179.840 177.584 0.073 0.000 1.186 449 A CA 2.153 54.249 52.037 0.100 0.000 0.624 449 A CB -1.039 17.991 19.000 0.050 0.000 0.822 449 A HN 0.831 nan 8.150 nan 0.000 0.444 450 E N -0.407 119.803 120.200 0.018 0.000 2.085 450 E HA -0.282 4.075 4.350 0.011 0.000 0.194 450 E C 1.645 178.241 176.600 -0.006 0.000 0.994 450 E CA 1.557 57.963 56.400 0.009 0.000 0.801 450 E CB -0.247 29.455 29.700 0.003 0.000 0.743 450 E HN 0.592 nan 8.360 nan 0.000 0.453 451 D N -1.076 119.283 120.400 -0.069 0.000 2.104 451 D HA -0.186 4.461 4.640 0.011 0.000 0.194 451 D C 1.621 177.810 176.300 -0.184 0.000 0.994 451 D CA 1.435 55.330 54.000 -0.174 0.000 0.830 451 D CB -0.065 40.521 40.800 -0.358 0.000 0.959 451 D HN 0.267 nan 8.370 nan 0.000 0.452 452 Y N -0.481 119.820 120.300 0.002 0.000 2.206 452 Y HA 0.012 4.569 4.550 0.011 0.000 0.292 452 Y C 2.022 177.912 175.900 -0.016 0.000 1.123 452 Y CA 0.257 58.357 58.100 0.000 0.000 1.142 452 Y CB -0.618 37.843 38.460 0.003 0.000 1.006 452 Y HN -0.005 nan 8.280 nan 0.000 0.518 453 L N 0.186 121.493 121.223 0.139 0.000 2.012 453 L HA -0.266 4.081 4.340 0.011 0.000 0.210 453 L C 2.679 179.550 176.870 0.001 0.000 1.073 453 L CA 2.224 57.087 54.840 0.040 0.000 0.748 453 L CB -1.596 40.474 42.059 0.019 0.000 0.891 453 L HN 0.385 nan 8.230 nan 0.000 0.431 454 S N -0.998 114.705 115.700 0.005 0.000 2.389 454 S HA -0.240 4.237 4.470 0.011 0.000 0.231 454 S C 1.910 176.500 174.600 -0.017 0.000 1.052 454 S CA 2.071 60.262 58.200 -0.015 0.000 1.053 454 S CB -1.370 61.815 63.200 -0.026 0.000 0.886 454 S HN 0.297 nan 8.310 nan 0.000 0.456 455 V N 0.758 120.674 119.914 0.002 0.000 2.346 455 V HA -0.015 4.112 4.120 0.011 0.000 0.244 455 V C 2.574 178.668 176.094 -0.000 0.000 1.037 455 V CA 1.198 63.505 62.300 0.011 0.000 1.029 455 V CB -1.385 30.463 31.823 0.042 0.000 0.663 455 V HN 0.424 nan 8.190 nan 0.000 0.454 456 V N 0.097 120.009 119.914 -0.002 0.000 2.282 456 V HA -0.254 3.873 4.120 0.011 0.000 0.249 456 V C 2.568 178.599 176.094 -0.105 0.000 1.057 456 V CA 2.148 64.421 62.300 -0.046 0.000 1.032 456 V CB -0.713 31.073 31.823 -0.061 0.000 0.645 456 V HN 0.413 nan 8.190 nan 0.000 0.447 457 L N 0.128 121.274 121.223 -0.128 0.000 2.131 457 L HA -0.120 4.227 4.340 0.011 0.000 0.210 457 L C 2.111 178.938 176.870 -0.072 0.000 1.092 457 L CA 1.887 56.615 54.840 -0.188 0.000 0.759 457 L CB -1.145 40.819 42.059 -0.157 0.000 0.903 457 L HN 0.408 nan 8.230 nan 0.000 0.435 458 N N -1.180 117.505 118.700 -0.025 0.000 2.173 458 N HA -0.145 4.602 4.740 0.011 0.000 0.184 458 N C 1.811 177.328 175.510 0.011 0.000 1.025 458 N CA 0.948 54.005 53.050 0.013 0.000 0.852 458 N CB 0.083 38.578 38.487 0.013 0.000 0.998 458 N HN 0.341 nan 8.380 nan 0.000 0.427 459 Q N -0.117 119.681 119.800 -0.004 0.000 2.045 459 Q HA -0.190 4.157 4.340 0.011 0.000 0.206 459 Q C 1.968 177.967 176.000 -0.002 0.000 0.991 459 Q CA 1.330 57.135 55.803 0.002 0.000 0.851 459 Q CB -0.337 28.399 28.738 -0.003 0.000 0.911 459 Q HN 0.323 nan 8.270 nan 0.000 0.418 460 L N 0.439 121.638 121.223 -0.040 0.000 1.997 460 L HA -0.262 4.085 4.340 0.011 0.000 0.216 460 L C 2.333 179.218 176.870 0.025 0.000 1.074 460 L CA 1.830 56.638 54.840 -0.054 0.000 0.763 460 L CB -0.607 41.342 42.059 -0.183 0.000 0.890 460 L HN 0.339 nan 8.230 nan 0.000 0.434 461 c N -2.096 116.535 118.600 0.052 0.000 2.432 461 c HA -0.076 4.501 4.570 0.011 0.000 0.280 461 c C 2.670 176.828 174.090 0.112 0.000 1.353 461 c CA 0.650 57.051 56.329 0.121 0.000 1.766 461 c CB -0.754 41.837 42.510 0.135 0.000 1.924 461 c HN 0.484 nan 8.230 nan 0.000 0.509 462 V N 0.952 120.909 119.914 0.070 0.000 2.358 462 V HA -0.200 3.927 4.120 0.011 0.000 0.246 462 V C 2.303 178.431 176.094 0.056 0.000 1.047 462 V CA 1.667 63.999 62.300 0.053 0.000 1.035 462 V CB -0.636 31.206 31.823 0.032 0.000 0.658 462 V HN 0.535 nan 8.190 nan 0.000 0.452 463 L N -0.699 120.563 121.223 0.064 0.000 1.976 463 L HA -0.217 4.130 4.340 0.011 0.000 0.209 463 L C 2.660 179.579 176.870 0.082 0.000 1.071 463 L CA 2.162 57.038 54.840 0.059 0.000 0.746 463 L CB -1.048 41.046 42.059 0.057 0.000 0.890 463 L HN 0.394 nan 8.230 nan 0.000 0.432 464 H N -0.019 119.065 119.070 0.023 0.000 2.431 464 H HA -0.254 4.310 4.556 0.013 0.000 0.297 464 H C 2.206 177.548 175.328 0.024 0.000 1.115 464 H CA 2.090 58.156 56.048 0.031 0.000 1.277 464 H CB 0.330 30.124 29.762 0.053 0.000 1.372 464 H HN 0.342 nan 8.280 nan 0.000 0.516 465 E N 1.061 121.306 120.200 0.075 0.000 2.012 465 E HA -0.187 4.170 4.350 0.011 0.000 0.197 465 E C 2.206 178.786 176.600 -0.035 0.000 1.007 465 E CA 2.172 58.583 56.400 0.019 0.000 0.816 465 E CB 0.026 29.746 29.700 0.032 0.000 0.762 465 E HN 0.463 nan 8.360 nan 0.000 0.451 466 K N -0.705 119.681 120.400 -0.022 0.000 2.097 466 K HA -0.044 4.282 4.320 0.011 0.000 0.206 466 K C 0.867 177.435 176.600 -0.054 0.000 1.049 466 K CA 1.609 57.878 56.287 -0.030 0.000 0.933 466 K CB -0.166 32.325 32.500 -0.015 0.000 0.717 466 K HN 0.279 nan 8.250 nan 0.000 0.442 467 T N -0.504 114.003 114.554 -0.078 0.000 3.410 467 T HA 0.291 4.648 4.350 0.011 0.000 0.328 467 T C -2.821 171.750 174.700 -0.216 0.000 1.567 467 T CA -2.199 59.841 62.100 -0.100 0.000 1.626 467 T CB 0.633 69.471 68.868 -0.050 0.000 0.939 467 T HN -0.179 nan 8.240 nan 0.000 0.656 468 P HA 0.089 nan 4.420 nan 0.000 0.267 468 P C 0.344 177.430 177.300 -0.357 0.000 1.195 468 P CA -0.123 62.629 63.100 -0.578 0.000 0.773 468 P CB 1.206 32.729 31.700 -0.294 0.000 0.837 469 V N -0.250 119.486 119.914 -0.297 0.000 3.157 469 V HA 0.111 4.238 4.120 0.011 0.000 0.253 469 V C 0.502 176.714 176.094 0.195 0.000 1.637 469 V CA 0.655 62.990 62.300 0.059 0.000 1.058 469 V CB 0.840 32.745 31.823 0.137 0.000 0.917 469 V HN 0.667 nan 8.190 nan 0.000 0.417 470 S N 0.464 116.412 115.700 0.413 0.000 2.572 470 S HA 0.311 4.788 4.470 0.011 0.000 0.274 470 S C 0.312 175.049 174.600 0.228 0.000 1.150 470 S CA -0.058 58.286 58.200 0.240 0.000 0.944 470 S CB 1.730 65.020 63.200 0.149 0.000 1.071 470 S HN 0.521 nan 8.310 nan 0.000 0.479 471 D N 4.460 124.932 120.400 0.119 0.000 2.144 471 D HA -0.155 4.492 4.640 0.011 0.000 0.199 471 D C 1.541 177.858 176.300 0.028 0.000 0.984 471 D CA 0.991 55.039 54.000 0.080 0.000 0.834 471 D CB -0.147 40.680 40.800 0.044 0.000 0.955 471 D HN 0.503 nan 8.370 nan 0.000 0.465 472 R N 0.347 120.847 120.500 -0.000 0.000 2.083 472 R HA -0.072 4.275 4.340 0.011 0.000 0.237 472 R C 2.587 178.795 176.300 -0.153 0.000 1.137 472 R CA 1.369 57.431 56.100 -0.063 0.000 0.951 472 R CB -0.458 29.817 30.300 -0.042 0.000 0.851 472 R HN 0.111 nan 8.270 nan 0.000 0.434 473 V N 0.037 119.847 119.914 -0.173 0.000 2.358 473 V HA -0.240 3.886 4.120 0.011 0.000 0.246 473 V C 2.080 178.011 176.094 -0.271 0.000 1.047 473 V CA 2.185 64.295 62.300 -0.317 0.000 1.035 473 V CB -0.540 30.915 31.823 -0.615 0.000 0.658 473 V HN 0.432 nan 8.190 nan 0.000 0.452 474 T N -0.174 114.328 114.554 -0.087 0.000 2.720 474 T HA -0.259 4.098 4.350 0.011 0.000 0.268 474 T C 1.954 176.641 174.700 -0.022 0.000 1.037 474 T CA 2.040 64.182 62.100 0.071 0.000 1.144 474 T CB -0.216 68.749 68.868 0.161 0.000 0.864 474 T HN 0.445 nan 8.240 nan 0.000 0.444 475 K N 0.972 121.330 120.400 -0.070 0.000 1.991 475 K HA -0.104 4.223 4.320 0.011 0.000 0.212 475 K C 2.343 178.856 176.600 -0.144 0.000 1.049 475 K CA 1.898 58.132 56.287 -0.088 0.000 0.932 475 K CB -1.049 31.393 32.500 -0.096 0.000 0.717 475 K HN 0.370 nan 8.250 nan 0.000 0.441 476 c N 0.076 118.495 118.600 -0.302 0.000 2.413 476 c HA -0.119 4.458 4.570 0.011 0.000 0.277 476 c C 2.879 176.831 174.090 -0.230 0.000 1.265 476 c CA 0.776 56.833 56.329 -0.453 0.000 1.752 476 c CB -1.223 40.550 42.510 -1.227 0.000 1.998 476 c HN 0.669 nan 8.230 nan 0.000 0.489 477 c N 0.851 119.377 118.600 -0.123 0.000 2.446 477 c HA -0.044 4.533 4.570 0.011 0.000 0.279 477 c C 2.486 176.621 174.090 0.076 0.000 1.366 477 c CA 1.815 58.181 56.329 0.062 0.000 1.763 477 c CB -1.492 41.080 42.510 0.104 0.000 1.929 477 c HN 0.813 nan 8.230 nan 0.000 0.509 478 T N -2.218 112.358 114.554 0.037 0.000 3.176 478 T HA 0.201 4.558 4.350 0.011 0.000 0.263 478 T C -0.149 174.590 174.700 0.065 0.000 1.021 478 T CA 0.002 62.129 62.100 0.046 0.000 0.905 478 T CB 0.078 68.956 68.868 0.017 0.000 1.057 478 T HN 0.517 nan 8.240 nan 0.000 0.558 479 E N 1.978 122.223 120.200 0.076 0.000 2.267 479 E HA 0.514 4.871 4.350 0.011 0.000 0.258 479 E C -0.045 176.674 176.600 0.199 0.000 1.074 479 E CA -0.664 55.787 56.400 0.085 0.000 0.915 479 E CB 1.137 30.840 29.700 0.005 0.000 1.186 479 E HN 0.387 nan 8.360 nan 0.000 0.439 480 S N 1.543 117.340 115.700 0.162 0.000 2.562 480 S HA 0.033 4.510 4.470 0.011 0.000 0.281 480 S C 1.358 175.901 174.600 -0.096 0.000 1.333 480 S CA -0.563 57.710 58.200 0.122 0.000 1.052 480 S CB 0.481 63.711 63.200 0.050 0.000 0.884 480 S HN 0.583 nan 8.310 nan 0.000 0.506 481 L N 2.421 123.370 121.223 -0.457 0.000 2.447 481 L HA -0.082 4.264 4.340 0.011 0.000 0.225 481 L C 1.937 178.702 176.870 -0.176 0.000 1.148 481 L CA 0.795 55.428 54.840 -0.345 0.000 0.808 481 L CB -0.645 41.066 42.059 -0.579 0.000 0.928 481 L HN 0.688 nan 8.230 nan 0.000 0.448 482 V N -0.370 119.454 119.914 -0.151 0.000 3.052 482 V HA -0.098 4.029 4.120 0.011 0.000 0.254 482 V C 1.672 177.734 176.094 -0.052 0.000 1.100 482 V CA 1.065 63.315 62.300 -0.084 0.000 1.112 482 V CB -0.197 31.581 31.823 -0.075 0.000 0.738 482 V HN 0.519 nan 8.190 nan 0.000 0.469 483 N N -0.456 118.220 118.700 -0.039 0.000 2.322 483 N HA 0.070 4.817 4.740 0.011 0.000 0.181 483 N C 1.672 177.175 175.510 -0.011 0.000 1.088 483 N CA 0.057 53.093 53.050 -0.024 0.000 0.885 483 N CB -0.117 38.357 38.487 -0.021 0.000 1.013 483 N HN 0.347 nan 8.380 nan 0.000 0.472 484 R N 1.485 121.990 120.500 0.008 0.000 2.179 484 R HA -0.171 4.176 4.340 0.011 0.000 0.238 484 R C 2.144 178.543 176.300 0.165 0.000 1.119 484 R CA 1.746 57.885 56.100 0.066 0.000 0.915 484 R CB -0.012 30.351 30.300 0.105 0.000 0.870 484 R HN 0.019 nan 8.270 nan 0.000 0.432 485 R N -0.059 120.536 120.500 0.158 0.000 2.070 485 R HA -0.074 4.273 4.340 0.011 0.000 0.233 485 R C -0.805 175.583 176.300 0.148 0.000 1.137 485 R CA 1.891 58.104 56.100 0.189 0.000 0.945 485 R CB -1.494 28.856 30.300 0.083 0.000 0.845 485 R HN 0.304 nan 8.270 nan 0.000 0.430 486 P HA -0.103 nan 4.420 nan 0.000 0.221 486 P C 1.579 178.892 177.300 0.022 0.000 1.145 486 P CA 0.805 63.925 63.100 0.034 0.000 0.795 486 P CB -0.298 31.401 31.700 -0.002 0.000 0.775 487 c N -1.905 116.686 118.600 -0.015 0.000 2.453 487 c HA -0.105 4.472 4.570 0.011 0.000 0.277 487 c C 2.376 176.392 174.090 -0.123 0.000 1.262 487 c CA 0.572 56.831 56.329 -0.117 0.000 1.718 487 c CB -2.012 40.352 42.510 -0.245 0.000 2.031 487 c HN 0.062 nan 8.230 nan 0.000 0.480 488 F N 1.661 121.600 119.950 -0.019 0.000 2.134 488 F HA -0.086 4.449 4.527 0.013 0.000 0.299 488 F C 2.794 178.604 175.800 0.017 0.000 1.097 488 F CA 2.028 60.016 58.000 -0.020 0.000 1.264 488 F CB -0.855 38.114 39.000 -0.051 0.000 1.001 488 F HN 0.125 nan 8.300 nan 0.000 0.479 489 S N -0.356 115.471 115.700 0.212 0.000 2.440 489 S HA -0.150 4.327 4.470 0.011 0.000 0.238 489 S C 2.116 176.774 174.600 0.097 0.000 1.010 489 S CA 0.931 59.219 58.200 0.147 0.000 0.972 489 S CB -0.528 62.732 63.200 0.101 0.000 0.774 489 S HN 0.368 nan 8.310 nan 0.000 0.501 490 A N 0.525 123.383 122.820 0.063 0.000 2.178 490 A HA 0.346 4.673 4.320 0.011 0.000 0.211 490 A C 0.756 178.356 177.584 0.028 0.000 1.157 490 A CA -0.108 51.947 52.037 0.030 0.000 0.780 490 A CB -0.227 18.773 19.000 0.000 0.000 0.828 490 A HN 0.390 nan 8.150 nan 0.000 0.476 491 L N 1.187 122.438 121.223 0.047 0.000 2.543 491 L HA 0.001 4.348 4.340 0.011 0.000 0.285 491 L C 0.327 177.227 176.870 0.049 0.000 1.236 491 L CA 0.458 55.325 54.840 0.046 0.000 0.871 491 L CB 0.238 42.354 42.059 0.094 0.000 1.121 491 L HN 0.450 nan 8.230 nan 0.000 0.501 492 E N 1.317 121.536 120.200 0.031 0.000 2.299 492 E HA 0.371 4.728 4.350 0.011 0.000 0.260 492 E C -0.941 175.673 176.600 0.023 0.000 0.944 492 E CA -1.125 55.290 56.400 0.024 0.000 0.815 492 E CB 2.067 31.777 29.700 0.016 0.000 1.252 492 E HN 0.202 nan 8.360 nan 0.000 0.418 493 V N 1.937 121.859 119.914 0.014 0.000 2.617 493 V HA -0.100 4.027 4.120 0.011 0.000 0.304 493 V C 0.051 176.159 176.094 0.023 0.000 1.040 493 V CA 0.650 62.957 62.300 0.010 0.000 1.149 493 V CB 0.418 32.244 31.823 0.005 0.000 0.914 493 V HN 0.601 nan 8.190 nan 0.000 0.487 494 D N 4.728 125.143 120.400 0.026 0.000 2.402 494 D HA 0.285 4.932 4.640 0.011 0.000 0.235 494 D C 0.870 177.222 176.300 0.087 0.000 1.226 494 D CA 0.448 54.480 54.000 0.053 0.000 0.918 494 D CB 1.315 42.145 40.800 0.050 0.000 1.043 494 D HN 0.806 nan 8.370 nan 0.000 0.506 495 E N 2.029 122.270 120.200 0.069 0.000 2.445 495 E HA 0.014 4.371 4.350 0.011 0.000 0.189 495 E C 1.386 178.030 176.600 0.073 0.000 1.069 495 E CA 0.271 56.712 56.400 0.068 0.000 0.871 495 E CB -0.177 29.548 29.700 0.041 0.000 0.991 495 E HN 0.423 nan 8.360 nan 0.000 0.481 496 T N -0.570 114.040 114.554 0.095 0.000 3.033 496 T HA 0.112 4.469 4.350 0.011 0.000 0.248 496 T C 0.605 175.370 174.700 0.109 0.000 1.040 496 T CA -0.025 62.124 62.100 0.083 0.000 1.133 496 T CB -0.379 68.536 68.868 0.078 0.000 0.895 496 T HN 0.592 nan 8.240 nan 0.000 0.465 497 Y N 3.980 124.292 120.300 0.020 0.000 2.987 497 Y HA 0.112 4.669 4.550 0.011 0.000 0.339 497 Y C -0.231 175.682 175.900 0.022 0.000 1.272 497 Y CA -0.807 57.307 58.100 0.025 0.000 1.562 497 Y CB 0.242 38.719 38.460 0.028 0.000 1.253 497 Y HN -0.063 nan 8.280 nan 0.000 0.604 498 V N 7.016 126.548 119.914 -0.637 0.000 2.328 498 V HA 0.367 4.494 4.120 0.011 0.000 0.278 498 V C -2.269 173.337 176.094 -0.813 0.000 1.021 498 V CA -2.533 59.463 62.300 -0.507 0.000 0.838 498 V CB 0.637 32.297 31.823 -0.272 0.000 0.999 498 V HN 0.711 nan 8.190 nan 0.000 0.447 499 P HA -0.023 nan 4.420 nan 0.000 0.261 499 P C -0.101 177.136 177.300 -0.105 0.000 1.158 499 P CA 0.347 63.320 63.100 -0.212 0.000 0.758 499 P CB 0.330 31.986 31.700 -0.074 0.000 0.763 500 K N 2.062 122.505 120.400 0.072 0.000 2.237 500 K HA 0.205 4.532 4.320 0.011 0.000 0.270 500 K C 0.132 176.875 176.600 0.238 0.000 1.015 500 K CA -0.624 55.742 56.287 0.130 0.000 0.949 500 K CB 0.521 33.134 32.500 0.188 0.000 0.976 500 K HN 0.138 nan 8.250 nan 0.000 0.472 501 E N 2.110 122.394 120.200 0.140 0.000 2.502 501 E HA -0.062 4.295 4.350 0.011 0.000 0.261 501 E C -1.084 175.552 176.600 0.060 0.000 0.974 501 E CA 0.027 56.510 56.400 0.139 0.000 0.936 501 E CB 0.070 29.813 29.700 0.071 0.000 0.926 501 E HN 0.483 nan 8.360 nan 0.000 0.459 502 F N 4.831 124.720 119.950 -0.102 0.000 2.572 502 F HA 0.130 4.664 4.527 0.011 0.000 0.370 502 F C 0.196 175.932 175.800 -0.107 0.000 1.103 502 F CA 0.343 58.119 58.000 -0.373 0.000 1.286 502 F CB 0.441 39.267 39.000 -0.289 0.000 1.105 502 F HN 0.347 nan 8.300 nan 0.000 0.583 503 N N 4.944 123.025 118.700 -1.032 0.000 2.540 503 N HA 0.317 5.063 4.740 0.011 0.000 0.275 503 N C 0.303 175.325 175.510 -0.813 0.000 1.053 503 N CA 0.243 52.896 53.050 -0.662 0.000 0.876 503 N CB 1.782 40.012 38.487 -0.428 0.000 1.284 503 N HN 0.834 nan 8.380 nan 0.000 0.518 504 A N 3.442 126.023 122.820 -0.397 0.000 1.892 504 A HA -0.218 4.109 4.320 0.011 0.000 0.218 504 A C 1.993 179.466 177.584 -0.186 0.000 1.188 504 A CA 2.605 54.598 52.037 -0.073 0.000 0.631 504 A CB -0.997 18.099 19.000 0.159 0.000 0.822 504 A HN 0.775 nan 8.150 nan 0.000 0.447 505 E N -1.021 119.061 120.200 -0.196 0.000 2.130 505 E HA -0.230 4.127 4.350 0.011 0.000 0.196 505 E C 2.017 178.421 176.600 -0.327 0.000 0.998 505 E CA 2.186 58.463 56.400 -0.205 0.000 0.806 505 E CB -1.772 27.837 29.700 -0.151 0.000 0.738 505 E HN 0.632 nan 8.360 nan 0.000 0.459 506 T N -0.267 114.001 114.554 -0.478 0.000 2.708 506 T HA -0.027 4.329 4.350 0.011 0.000 0.266 506 T C 0.757 174.948 174.700 -0.847 0.000 1.037 506 T CA 1.357 63.024 62.100 -0.721 0.000 1.146 506 T CB -0.330 67.897 68.868 -1.068 0.000 0.865 506 T HN 0.474 nan 8.240 nan 0.000 0.435 507 F N 1.589 121.317 119.950 -0.371 0.000 2.986 507 F HA 0.341 4.875 4.527 0.011 0.000 0.297 507 F C 0.489 175.681 175.800 -1.014 0.000 1.210 507 F CA -0.392 57.354 58.000 -0.423 0.000 1.346 507 F CB -0.211 38.717 39.000 -0.120 0.000 1.007 507 F HN -0.181 nan 8.300 nan 0.000 0.512 508 T N 1.876 115.880 114.554 -0.917 0.000 2.791 508 T HA 0.540 4.897 4.350 0.011 0.000 0.288 508 T C -0.693 173.440 174.700 -0.945 0.000 0.999 508 T CA -0.314 61.266 62.100 -0.868 0.000 0.952 508 T CB 0.407 69.028 68.868 -0.413 0.000 0.938 508 T HN -0.049 nan 8.240 nan 0.000 0.444 509 F N 1.760 121.694 119.950 -0.026 0.000 2.546 509 F HA 0.618 5.151 4.527 0.011 0.000 0.320 509 F C 0.627 176.240 175.800 -0.312 0.000 1.076 509 F CA -1.341 56.612 58.000 -0.078 0.000 0.928 509 F CB 1.089 40.258 39.000 0.281 0.000 1.189 509 F HN 0.429 nan 8.300 nan 0.000 0.465 510 H N 0.335 119.384 119.070 -0.036 0.000 2.748 510 H HA 0.573 5.136 4.556 0.012 0.000 0.315 510 H C 0.483 175.224 175.328 -0.979 0.000 1.429 510 H CA -0.363 55.487 56.048 -0.330 0.000 1.444 510 H CB 1.483 31.155 29.762 -0.150 0.000 1.827 510 H HN 0.720 nan 8.280 nan 0.000 0.754 511 A N 0.224 122.669 122.820 -0.625 0.000 2.206 511 A HA -0.092 4.235 4.320 0.011 0.000 0.211 511 A C 1.459 178.881 177.584 -0.271 0.000 1.158 511 A CA 0.773 52.441 52.037 -0.615 0.000 0.761 511 A CB -0.470 18.469 19.000 -0.101 0.000 0.801 511 A HN 0.697 nan 8.150 nan 0.000 0.473 512 D N 1.454 121.752 120.400 -0.170 0.000 2.182 512 D HA -0.255 4.392 4.640 0.011 0.000 0.201 512 D C 1.859 178.121 176.300 -0.063 0.000 0.986 512 D CA 1.709 55.664 54.000 -0.075 0.000 0.847 512 D CB -0.769 40.014 40.800 -0.027 0.000 0.942 512 D HN 0.760 nan 8.370 nan 0.000 0.467 513 I N 0.189 120.703 120.570 -0.094 0.000 2.248 513 I HA -0.265 3.912 4.170 0.011 0.000 0.248 513 I C 2.242 178.352 176.117 -0.011 0.000 1.107 513 I CA 1.287 62.569 61.300 -0.029 0.000 1.373 513 I CB -1.031 36.967 38.000 -0.005 0.000 1.055 513 I HN -0.024 nan 8.210 nan 0.000 0.418 514 c N 1.419 120.010 118.600 -0.015 0.000 2.419 514 c HA -0.077 4.500 4.570 0.011 0.000 0.283 514 c C 3.087 177.179 174.090 0.002 0.000 1.373 514 c CA 1.199 57.538 56.329 0.016 0.000 1.781 514 c CB -1.974 40.565 42.510 0.050 0.000 1.886 514 c HN 0.758 nan 8.230 nan 0.000 0.520 515 T N -0.680 113.870 114.554 -0.007 0.000 2.976 515 T HA 0.147 4.504 4.350 0.011 0.000 0.257 515 T C 0.683 175.382 174.700 -0.003 0.000 1.051 515 T CA 0.239 62.336 62.100 -0.005 0.000 1.141 515 T CB -0.503 68.360 68.868 -0.009 0.000 0.881 515 T HN 0.428 nan 8.240 nan 0.000 0.461 516 L N 3.258 124.480 121.223 -0.001 0.000 2.489 516 L HA 0.204 4.550 4.340 0.011 0.000 0.285 516 L C 1.076 177.947 176.870 0.002 0.000 1.259 516 L CA -0.457 54.386 54.840 0.005 0.000 0.828 516 L CB 0.051 42.118 42.059 0.013 0.000 1.094 516 L HN 0.416 nan 8.230 nan 0.000 0.524 517 S N -0.047 115.655 115.700 0.003 0.000 2.603 517 S HA 0.258 4.735 4.470 0.011 0.000 0.268 517 S C 1.140 175.735 174.600 -0.008 0.000 1.317 517 S CA -0.158 58.041 58.200 -0.002 0.000 1.012 517 S CB 1.452 64.654 63.200 0.002 0.000 0.926 517 S HN 0.688 nan 8.310 nan 0.000 0.539 518 E N 1.399 121.586 120.200 -0.021 0.000 2.147 518 E HA -0.255 4.102 4.350 0.011 0.000 0.199 518 E C 1.785 178.367 176.600 -0.031 0.000 1.005 518 E CA 2.140 58.513 56.400 -0.044 0.000 0.810 518 E CB -1.002 28.665 29.700 -0.055 0.000 0.736 518 E HN 0.784 nan 8.360 nan 0.000 0.460 519 K N 0.522 120.919 120.400 -0.004 0.000 2.026 519 K HA -0.149 4.178 4.320 0.011 0.000 0.208 519 K C 2.192 178.811 176.600 0.032 0.000 1.048 519 K CA 1.815 58.114 56.287 0.019 0.000 0.929 519 K CB 0.051 32.564 32.500 0.023 0.000 0.713 519 K HN 0.463 nan 8.250 nan 0.000 0.439 520 E N 0.145 120.361 120.200 0.026 0.000 2.107 520 E HA -0.107 4.250 4.350 0.011 0.000 0.191 520 E C 2.177 178.805 176.600 0.048 0.000 0.982 520 E CA 0.796 57.218 56.400 0.037 0.000 0.809 520 E CB -0.113 29.605 29.700 0.029 0.000 0.756 520 E HN 0.329 nan 8.360 nan 0.000 0.459 521 R N 0.899 121.418 120.500 0.032 0.000 2.083 521 R HA -0.149 4.198 4.340 0.011 0.000 0.237 521 R C 2.496 178.839 176.300 0.072 0.000 1.137 521 R CA 1.432 57.557 56.100 0.043 0.000 0.951 521 R CB -0.237 30.065 30.300 0.003 0.000 0.851 521 R HN 0.255 nan 8.270 nan 0.000 0.434 522 Q N 0.184 120.013 119.800 0.047 0.000 1.993 522 Q HA -0.150 4.197 4.340 0.011 0.000 0.202 522 Q C 2.143 178.253 176.000 0.183 0.000 0.984 522 Q CA 1.240 57.129 55.803 0.143 0.000 0.837 522 Q CB -0.092 28.730 28.738 0.141 0.000 0.902 522 Q HN 0.223 nan 8.270 nan 0.000 0.423 523 I N 1.213 121.857 120.570 0.124 0.000 2.248 523 I HA -0.284 3.893 4.170 0.011 0.000 0.248 523 I C 2.055 178.228 176.117 0.093 0.000 1.107 523 I CA 1.498 62.857 61.300 0.098 0.000 1.373 523 I CB -1.161 36.881 38.000 0.069 0.000 1.055 523 I HN 0.171 nan 8.210 nan 0.000 0.418 524 K N 1.399 121.861 120.400 0.103 0.000 1.984 524 K HA -0.142 4.185 4.320 0.011 0.000 0.209 524 K C 2.081 178.760 176.600 0.132 0.000 1.046 524 K CA 1.367 57.724 56.287 0.117 0.000 0.934 524 K CB -0.339 32.242 32.500 0.134 0.000 0.717 524 K HN 0.350 nan 8.250 nan 0.000 0.438 525 K N 0.964 121.459 120.400 0.157 0.000 2.097 525 K HA -0.155 4.172 4.320 0.011 0.000 0.206 525 K C 2.351 178.981 176.600 0.049 0.000 1.049 525 K CA 1.238 57.592 56.287 0.111 0.000 0.933 525 K CB -0.097 32.535 32.500 0.220 0.000 0.717 525 K HN 0.178 nan 8.250 nan 0.000 0.442 526 Q N 0.146 120.005 119.800 0.099 0.000 2.084 526 Q HA -0.119 4.228 4.340 0.011 0.000 0.202 526 Q C 1.826 177.839 176.000 0.021 0.000 0.978 526 Q CA 1.840 57.673 55.803 0.050 0.000 0.844 526 Q CB 0.049 28.831 28.738 0.073 0.000 0.898 526 Q HN 0.312 nan 8.270 nan 0.000 0.426 527 T N 0.126 114.701 114.554 0.034 0.000 2.867 527 T HA -0.089 4.268 4.350 0.011 0.000 0.268 527 T C 1.719 176.423 174.700 0.007 0.000 1.057 527 T CA 0.980 63.090 62.100 0.016 0.000 1.136 527 T CB -0.178 68.699 68.868 0.015 0.000 0.874 527 T HN 0.370 nan 8.240 nan 0.000 0.466 528 A N 1.337 124.170 122.820 0.020 0.000 1.930 528 A HA 0.049 4.376 4.320 0.011 0.000 0.217 528 A C 2.186 179.821 177.584 0.086 0.000 1.175 528 A CA 0.944 53.010 52.037 0.049 0.000 0.627 528 A CB -0.675 18.363 19.000 0.063 0.000 0.815 528 A HN 0.380 nan 8.150 nan 0.000 0.443 529 L N 0.016 121.242 121.223 0.004 0.000 2.056 529 L HA -0.085 4.262 4.340 0.011 0.000 0.207 529 L C 2.410 179.301 176.870 0.034 0.000 1.078 529 L CA 1.758 56.596 54.840 -0.003 0.000 0.749 529 L CB -0.721 41.307 42.059 -0.052 0.000 0.901 529 L HN 0.164 nan 8.230 nan 0.000 0.433 530 V N -0.097 119.831 119.914 0.023 0.000 2.255 530 V HA -0.264 3.863 4.120 0.011 0.000 0.247 530 V C 2.641 178.776 176.094 0.067 0.000 1.051 530 V CA 1.923 64.237 62.300 0.024 0.000 1.018 530 V CB -0.675 31.154 31.823 0.009 0.000 0.641 530 V HN 0.446 nan 8.190 nan 0.000 0.445 531 E N -0.142 120.108 120.200 0.082 0.000 2.160 531 E HA -0.227 4.130 4.350 0.011 0.000 0.195 531 E C 2.111 178.912 176.600 0.336 0.000 0.991 531 E CA 1.252 57.730 56.400 0.130 0.000 0.810 531 E CB -0.418 29.257 29.700 -0.041 0.000 0.742 531 E HN 0.493 nan 8.360 nan 0.000 0.466 532 L N 0.596 122.042 121.223 0.373 0.000 2.046 532 L HA -0.125 4.222 4.340 0.011 0.000 0.208 532 L C 2.205 179.193 176.870 0.197 0.000 1.077 532 L CA 1.327 56.361 54.840 0.324 0.000 0.747 532 L CB -0.465 41.694 42.059 0.167 0.000 0.896 532 L HN -0.123 nan 8.230 nan 0.000 0.432 533 V N -0.177 119.814 119.914 0.128 0.000 2.427 533 V HA -0.218 3.909 4.120 0.011 0.000 0.248 533 V C 2.579 178.746 176.094 0.121 0.000 1.051 533 V CA 1.717 64.064 62.300 0.078 0.000 1.048 533 V CB -0.753 31.082 31.823 0.020 0.000 0.666 533 V HN 0.442 nan 8.190 nan 0.000 0.456 534 K N -0.547 119.949 120.400 0.160 0.000 2.211 534 K HA -0.201 4.126 4.320 0.011 0.000 0.203 534 K C 2.133 178.961 176.600 0.379 0.000 1.050 534 K CA 1.535 57.966 56.287 0.240 0.000 0.945 534 K CB -0.199 32.422 32.500 0.202 0.000 0.732 534 K HN 0.575 nan 8.250 nan 0.000 0.451 535 H N 0.581 119.788 119.070 0.228 0.000 2.399 535 H HA 0.139 4.702 4.556 0.012 0.000 0.300 535 H C 0.094 175.513 175.328 0.152 0.000 1.048 535 H CA 1.052 57.224 56.048 0.207 0.000 1.370 535 H CB 0.571 30.484 29.762 0.252 0.000 1.428 535 H HN -0.213 nan 8.280 nan 0.000 0.534 536 K N 1.462 121.820 120.400 -0.071 0.000 2.762 536 K HA 0.166 4.493 4.320 0.011 0.000 0.180 536 K C -2.298 174.294 176.600 -0.014 0.000 1.067 536 K CA -1.402 54.798 56.287 -0.146 0.000 0.973 536 K CB 1.923 34.319 32.500 -0.174 0.000 1.290 536 K HN 0.309 nan 8.250 nan 0.000 0.604 537 P HA -0.178 nan 4.420 nan 0.000 0.220 537 P C 0.893 178.212 177.300 0.030 0.000 1.148 537 P CA 1.193 64.335 63.100 0.069 0.000 0.803 537 P CB 0.228 32.032 31.700 0.172 0.000 0.782 538 K N -0.269 120.139 120.400 0.013 0.000 2.504 538 K HA 0.470 4.797 4.320 0.011 0.000 0.199 538 K C 1.112 177.705 176.600 -0.012 0.000 1.028 538 K CA 0.358 56.646 56.287 0.002 0.000 1.164 538 K CB -0.926 31.572 32.500 -0.002 0.000 0.877 538 K HN 0.350 nan 8.250 nan 0.000 0.508 539 A N 1.343 124.154 122.820 -0.016 0.000 2.409 539 A HA 0.498 4.825 4.320 0.011 0.000 0.262 539 A C 0.650 178.223 177.584 -0.018 0.000 1.113 539 A CA -0.188 51.837 52.037 -0.020 0.000 0.790 539 A CB -0.092 18.894 19.000 -0.023 0.000 1.046 539 A HN 0.377 nan 8.150 nan 0.000 0.496 540 T N 1.801 116.345 114.554 -0.017 0.000 2.791 540 T HA 0.039 4.396 4.350 0.011 0.000 0.323 540 T C 1.397 176.085 174.700 -0.019 0.000 1.082 540 T CA 0.207 62.297 62.100 -0.017 0.000 1.084 540 T CB 0.421 69.280 68.868 -0.014 0.000 0.992 540 T HN 0.679 nan 8.240 nan 0.000 0.547 541 K N 0.346 120.733 120.400 -0.021 0.000 2.288 541 K HA -0.038 4.289 4.320 0.011 0.000 0.201 541 K C 2.248 178.838 176.600 -0.017 0.000 1.048 541 K CA 0.681 56.954 56.287 -0.024 0.000 0.956 541 K CB 0.143 32.627 32.500 -0.027 0.000 0.746 541 K HN 0.461 nan 8.250 nan 0.000 0.461 542 E N 0.934 121.126 120.200 -0.012 0.000 2.028 542 E HA -0.162 4.195 4.350 0.011 0.000 0.190 542 E C 2.001 178.597 176.600 -0.006 0.000 0.984 542 E CA 1.144 57.540 56.400 -0.007 0.000 0.800 542 E CB 0.049 29.746 29.700 -0.006 0.000 0.758 542 E HN 0.325 nan 8.360 nan 0.000 0.448 543 Q N 0.195 119.990 119.800 -0.009 0.000 2.077 543 Q HA -0.191 4.156 4.340 0.011 0.000 0.206 543 Q C 2.215 178.210 176.000 -0.009 0.000 0.989 543 Q CA 1.102 56.900 55.803 -0.010 0.000 0.853 543 Q CB -0.117 28.612 28.738 -0.015 0.000 0.907 543 Q HN 0.102 nan 8.270 nan 0.000 0.418 544 L N 0.625 121.840 121.223 -0.013 0.000 2.083 544 L HA -0.204 4.143 4.340 0.011 0.000 0.209 544 L C 2.410 179.276 176.870 -0.007 0.000 1.083 544 L CA 1.744 56.575 54.840 -0.014 0.000 0.752 544 L CB -0.907 41.139 42.059 -0.023 0.000 0.899 544 L HN 0.013 nan 8.230 nan 0.000 0.433 545 K N -0.647 119.751 120.400 -0.003 0.000 2.002 545 K HA -0.117 4.209 4.320 0.011 0.000 0.209 545 K C 2.227 178.839 176.600 0.020 0.000 1.048 545 K CA 1.182 57.473 56.287 0.007 0.000 0.930 545 K CB -0.773 31.730 32.500 0.006 0.000 0.714 545 K HN 0.484 nan 8.250 nan 0.000 0.438 546 A N 0.433 123.262 122.820 0.016 0.000 1.869 546 A HA -0.148 4.179 4.320 0.011 0.000 0.218 546 A C 2.455 180.059 177.584 0.035 0.000 1.203 546 A CA 2.436 54.486 52.037 0.022 0.000 0.638 546 A CB -1.157 17.851 19.000 0.012 0.000 0.831 546 A HN 0.374 nan 8.150 nan 0.000 0.450 547 V N -0.486 119.444 119.914 0.025 0.000 2.568 547 V HA -0.300 3.827 4.120 0.011 0.000 0.253 547 V C 2.528 178.663 176.094 0.069 0.000 1.072 547 V CA 2.233 64.554 62.300 0.035 0.000 1.084 547 V CB -0.659 31.167 31.823 0.005 0.000 0.676 547 V HN 0.576 nan 8.190 nan 0.000 0.469 548 M N -1.001 118.635 119.600 0.059 0.000 2.447 548 M HA -0.058 4.429 4.480 0.011 0.000 0.264 548 M C 1.689 178.081 176.300 0.154 0.000 1.095 548 M CA 1.050 56.404 55.300 0.091 0.000 1.125 548 M CB -0.179 32.448 32.600 0.045 0.000 1.389 548 M HN 0.300 nan 8.290 nan 0.000 0.459 549 D N 0.552 121.017 120.400 0.109 0.000 2.137 549 D HA -0.123 4.524 4.640 0.011 0.000 0.202 549 D C 1.444 177.813 176.300 0.115 0.000 0.970 549 D CA 1.154 55.214 54.000 0.100 0.000 0.837 549 D CB -0.289 40.549 40.800 0.062 0.000 0.981 549 D HN 0.214 nan 8.370 nan 0.000 0.475 550 D N -0.073 120.395 120.400 0.113 0.000 2.149 550 D HA -0.156 4.491 4.640 0.011 0.000 0.198 550 D C 1.756 178.156 176.300 0.166 0.000 0.990 550 D CA 0.475 54.541 54.000 0.110 0.000 0.839 550 D CB -0.385 40.467 40.800 0.086 0.000 0.948 550 D HN 0.191 nan 8.370 nan 0.000 0.460 551 F N 1.233 121.216 119.950 0.054 0.000 2.206 551 F HA -0.035 4.499 4.527 0.012 0.000 0.298 551 F C 2.191 178.068 175.800 0.128 0.000 1.090 551 F CA 1.176 59.228 58.000 0.087 0.000 1.323 551 F CB -0.143 38.867 39.000 0.018 0.000 1.028 551 F HN -0.069 nan 8.300 nan 0.000 0.492 552 A N 0.594 123.546 122.820 0.221 0.000 1.865 552 A HA -0.162 4.164 4.320 0.011 0.000 0.217 552 A C 2.429 180.001 177.584 -0.020 0.000 1.191 552 A CA 2.112 54.212 52.037 0.104 0.000 0.623 552 A CB -1.625 17.447 19.000 0.119 0.000 0.826 552 A HN 0.488 nan 8.150 nan 0.000 0.444 553 A N -1.055 121.770 122.820 0.009 0.000 1.877 553 A HA -0.039 4.288 4.320 0.011 0.000 0.216 553 A C 2.064 179.596 177.584 -0.087 0.000 1.186 553 A CA 1.715 53.735 52.037 -0.027 0.000 0.620 553 A CB -0.824 18.182 19.000 0.010 0.000 0.822 553 A HN 0.844 nan 8.150 nan 0.000 0.443 554 F N 1.101 120.910 119.950 -0.235 0.000 2.065 554 F HA -0.221 4.313 4.527 0.011 0.000 0.298 554 F C 2.146 177.671 175.800 -0.458 0.000 1.112 554 F CA 2.330 60.131 58.000 -0.331 0.000 1.212 554 F CB -0.655 38.136 39.000 -0.350 0.000 0.975 554 F HN 0.021 nan 8.300 nan 0.000 0.476 555 V N 0.683 120.123 119.914 -0.789 0.000 2.407 555 V HA -0.287 3.840 4.120 0.011 0.000 0.248 555 V C 2.424 178.230 176.094 -0.480 0.000 1.055 555 V CA 2.222 64.078 62.300 -0.739 0.000 1.049 555 V CB -0.813 30.760 31.823 -0.418 0.000 0.662 555 V HN 0.511 nan 8.190 nan 0.000 0.455 556 E N 0.722 120.727 120.200 -0.326 0.000 2.001 556 E HA -0.248 4.109 4.350 0.011 0.000 0.193 556 E C 2.334 178.784 176.600 -0.251 0.000 0.994 556 E CA 1.634 57.906 56.400 -0.214 0.000 0.815 556 E CB -0.166 29.454 29.700 -0.135 0.000 0.770 556 E HN 0.314 nan 8.360 nan 0.000 0.453 557 K N -0.493 119.756 120.400 -0.251 0.000 2.589 557 K HA -0.110 4.217 4.320 0.011 0.000 0.195 557 K C 1.363 177.761 176.600 -0.336 0.000 1.042 557 K CA 1.102 57.252 56.287 -0.228 0.000 0.940 557 K CB -1.010 31.390 32.500 -0.167 0.000 0.776 557 K HN 0.436 nan 8.250 nan 0.000 0.487 558 c N -2.043 116.236 118.600 -0.535 0.000 3.123 558 c HA 0.353 4.930 4.570 0.011 0.000 0.399 558 c C 1.962 175.815 174.090 -0.395 0.000 1.320 558 c CA -0.022 55.859 56.329 -0.746 0.000 1.949 558 c CB -0.154 41.245 42.510 -1.851 0.000 2.692 558 c HN 0.735 nan 8.230 nan 0.000 0.623 559 c N 0.630 119.094 118.600 -0.228 0.000 2.614 559 c HA 0.148 4.725 4.570 0.011 0.000 0.299 559 c C 1.690 175.754 174.090 -0.042 0.000 1.293 559 c CA 0.384 56.706 56.329 -0.012 0.000 1.713 559 c CB -1.591 40.941 42.510 0.037 0.000 1.890 559 c HN 0.495 nan 8.230 nan 0.000 0.602 560 K N 0.059 120.407 120.400 -0.086 0.000 2.589 560 K HA 0.561 4.888 4.320 0.011 0.000 0.198 560 K C -0.006 176.556 176.600 -0.064 0.000 1.114 560 K CA 0.339 56.587 56.287 -0.064 0.000 1.070 560 K CB 0.581 33.038 32.500 -0.073 0.000 0.860 560 K HN 0.475 nan 8.250 nan 0.000 0.536 561 A N 0.790 123.567 122.820 -0.071 0.000 2.337 561 A HA 0.657 4.984 4.320 0.011 0.000 0.329 561 A C -0.941 176.627 177.584 -0.026 0.000 1.146 561 A CA -0.566 51.434 52.037 -0.061 0.000 0.800 561 A CB 0.591 19.530 19.000 -0.100 0.000 1.220 561 A HN 0.338 nan 8.150 nan 0.000 0.472 562 D N 1.577 121.966 120.400 -0.019 0.000 2.458 562 D HA 0.318 4.964 4.640 0.011 0.000 0.243 562 D C 0.054 176.357 176.300 0.005 0.000 1.146 562 D CA 1.838 55.835 54.000 -0.005 0.000 0.877 562 D CB 0.501 41.298 40.800 -0.005 0.000 1.176 562 D HN 0.748 nan 8.370 nan 0.000 0.461 563 D N 0.885 121.295 120.400 0.018 0.000 3.187 563 D HA -0.244 4.403 4.640 0.011 0.000 0.244 563 D C 1.003 177.334 176.300 0.052 0.000 1.114 563 D CA 1.376 55.395 54.000 0.033 0.000 0.920 563 D CB -0.820 39.997 40.800 0.029 0.000 0.970 563 D HN 0.414 nan 8.370 nan 0.000 0.418 564 K N 2.007 122.450 120.400 0.072 0.000 2.044 564 K HA -0.205 4.122 4.320 0.011 0.000 0.210 564 K C 1.982 178.732 176.600 0.250 0.000 1.049 564 K CA 2.123 58.492 56.287 0.135 0.000 0.927 564 K CB -0.665 31.923 32.500 0.148 0.000 0.713 564 K HN 0.520 nan 8.250 nan 0.000 0.443 565 E N -0.272 120.051 120.200 0.204 0.000 2.478 565 E HA 0.033 4.390 4.350 0.011 0.000 0.198 565 E C 2.118 178.860 176.600 0.237 0.000 1.046 565 E CA 1.568 58.116 56.400 0.246 0.000 0.870 565 E CB -0.364 29.427 29.700 0.150 0.000 0.818 565 E HN 0.683 nan 8.360 nan 0.000 0.527 566 T N -1.261 113.392 114.554 0.165 0.000 2.983 566 T HA -0.082 4.274 4.350 0.011 0.000 0.250 566 T C 2.064 176.843 174.700 0.132 0.000 1.037 566 T CA 0.904 63.084 62.100 0.134 0.000 1.142 566 T CB -0.963 67.955 68.868 0.083 0.000 0.876 566 T HN 0.293 nan 8.240 nan 0.000 0.455 567 c N 0.301 118.946 118.600 0.074 0.000 2.411 567 c HA 0.019 4.595 4.570 0.011 0.000 0.279 567 c C 2.196 176.286 174.090 0.001 0.000 1.288 567 c CA 0.653 56.967 56.329 -0.024 0.000 1.764 567 c CB -1.802 40.607 42.510 -0.169 0.000 1.974 567 c HN 0.541 nan 8.230 nan 0.000 0.498 568 F N 0.994 121.011 119.950 0.111 0.000 2.512 568 F HA 0.213 4.746 4.527 0.011 0.000 0.296 568 F C 2.403 178.395 175.800 0.321 0.000 1.110 568 F CA 1.186 59.326 58.000 0.234 0.000 1.446 568 F CB -0.332 38.763 39.000 0.159 0.000 1.092 568 F HN 0.301 nan 8.300 nan 0.000 0.554 569 A N -0.327 122.717 122.820 0.374 0.000 1.956 569 A HA 0.150 4.477 4.320 0.011 0.000 0.212 569 A C 2.036 179.735 177.584 0.193 0.000 1.188 569 A CA 1.185 53.377 52.037 0.258 0.000 0.675 569 A CB -0.913 18.210 19.000 0.205 0.000 0.845 569 A HN 0.274 nan 8.150 nan 0.000 0.455 570 E N 0.009 120.311 120.200 0.169 0.000 2.042 570 E HA -0.083 4.274 4.350 0.011 0.000 0.189 570 E C 1.811 178.487 176.600 0.128 0.000 0.974 570 E CA 1.164 57.636 56.400 0.120 0.000 0.806 570 E CB -0.570 29.183 29.700 0.087 0.000 0.769 570 E HN 0.447 nan 8.360 nan 0.000 0.451 571 E N 0.362 120.662 120.200 0.167 0.000 2.204 571 E HA -0.030 4.327 4.350 0.011 0.000 0.194 571 E C 2.329 179.047 176.600 0.197 0.000 0.989 571 E CA 0.941 57.453 56.400 0.188 0.000 0.824 571 E CB -0.486 29.341 29.700 0.211 0.000 0.756 571 E HN 0.518 nan 8.360 nan 0.000 0.477 572 G N 1.108 110.082 108.800 0.290 0.000 2.421 572 G HA2 -0.283 3.683 3.960 0.011 0.000 0.216 572 G HA3 -0.283 3.683 3.960 0.011 0.000 0.216 572 G C 1.930 176.844 174.900 0.024 0.000 1.171 572 G CA 0.879 46.007 45.100 0.046 0.000 0.775 572 G HN 0.182 nan 8.290 nan 0.000 0.543 573 K N 0.363 120.810 120.400 0.079 0.000 2.074 573 K HA -0.058 4.269 4.320 0.011 0.000 0.209 573 K C 2.629 179.247 176.600 0.031 0.000 1.048 573 K CA 1.728 58.048 56.287 0.055 0.000 0.926 573 K CB -0.402 32.135 32.500 0.061 0.000 0.713 573 K HN 0.517 nan 8.250 nan 0.000 0.444 574 K N -0.155 120.263 120.400 0.031 0.000 2.002 574 K HA -0.079 4.248 4.320 0.011 0.000 0.209 574 K C 2.215 178.815 176.600 -0.001 0.000 1.048 574 K CA 1.558 57.855 56.287 0.017 0.000 0.930 574 K CB -0.446 32.072 32.500 0.029 0.000 0.714 574 K HN 0.040 nan 8.250 nan 0.000 0.438 575 L N 1.264 122.473 121.223 -0.024 0.000 1.956 575 L HA -0.229 4.117 4.340 0.011 0.000 0.216 575 L C 2.162 179.026 176.870 -0.009 0.000 1.073 575 L CA 1.610 56.426 54.840 -0.040 0.000 0.762 575 L CB -0.602 41.364 42.059 -0.156 0.000 0.889 575 L HN -0.055 nan 8.230 nan 0.000 0.433 576 V N -0.061 119.862 119.914 0.015 0.000 2.527 576 V HA -0.362 3.765 4.120 0.011 0.000 0.255 576 V C 2.631 178.716 176.094 -0.016 0.000 1.081 576 V CA 1.734 64.062 62.300 0.046 0.000 1.092 576 V CB -1.418 30.481 31.823 0.126 0.000 0.673 576 V HN 0.645 nan 8.190 nan 0.000 0.470 577 A N -0.415 122.391 122.820 -0.023 0.000 1.874 577 A HA 0.097 4.424 4.320 0.011 0.000 0.214 577 A C 2.423 179.979 177.584 -0.046 0.000 1.189 577 A CA 1.570 53.578 52.037 -0.049 0.000 0.615 577 A CB -0.695 18.287 19.000 -0.031 0.000 0.830 577 A HN 0.528 nan 8.150 nan 0.000 0.443 578 A N -0.351 122.453 122.820 -0.026 0.000 1.858 578 A HA -0.095 4.232 4.320 0.011 0.000 0.216 578 A C 2.454 180.022 177.584 -0.026 0.000 1.190 578 A CA 2.169 54.193 52.037 -0.020 0.000 0.617 578 A CB -1.115 17.881 19.000 -0.007 0.000 0.827 578 A HN 0.426 nan 8.150 nan 0.000 0.443 579 S N -0.337 115.349 115.700 -0.023 0.000 2.359 579 S HA -0.275 4.202 4.470 0.011 0.000 0.223 579 S C 2.148 176.722 174.600 -0.044 0.000 1.039 579 S CA 1.767 59.950 58.200 -0.027 0.000 1.042 579 S CB -0.462 62.723 63.200 -0.025 0.000 0.915 579 S HN 0.658 nan 8.310 nan 0.000 0.439 580 Q N 0.340 120.100 119.800 -0.067 0.000 2.112 580 Q HA -0.180 4.167 4.340 0.011 0.000 0.206 580 Q C 2.494 178.453 176.000 -0.068 0.000 0.987 580 Q CA 1.606 57.355 55.803 -0.089 0.000 0.858 580 Q CB -0.370 28.260 28.738 -0.181 0.000 0.905 580 Q HN 0.632 nan 8.270 nan 0.000 0.420 581 A N 0.823 123.606 122.820 -0.060 0.000 1.897 581 A HA -0.046 4.281 4.320 0.011 0.000 0.215 581 A C 2.290 179.852 177.584 -0.035 0.000 1.181 581 A CA 1.385 53.394 52.037 -0.046 0.000 0.620 581 A CB -0.705 18.271 19.000 -0.040 0.000 0.821 581 A HN 0.401 nan 8.150 nan 0.000 0.443 582 A N 0.114 122.916 122.820 -0.030 0.000 1.851 582 A HA 0.069 4.396 4.320 0.011 0.000 0.216 582 A C 1.398 178.966 177.584 -0.026 0.000 1.195 582 A CA 1.100 53.123 52.037 -0.023 0.000 0.622 582 A CB -0.777 18.213 19.000 -0.016 0.000 0.831 582 A HN 0.474 nan 8.150 nan 0.000 0.444 583 L N 0.000 121.204 121.223 -0.032 0.000 2.949 583 L HA 0.000 4.347 4.340 0.011 0.000 0.249 583 L CA 0.000 54.818 54.840 -0.037 0.000 0.813 583 L CB 0.000 42.033 42.059 -0.042 0.000 0.961 583 L HN 0.000 nan 8.230 nan 0.000 0.502