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 2xsi_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 IcTLSEKEEQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG 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 0.000 175.296 175.328 -0.053 0.000 0.993 3 H CA 0.000 55.974 56.048 -0.124 0.000 1.023 3 H CB 0.000 29.717 29.762 -0.074 0.000 1.292 4 K N 0.654 121.040 120.400 -0.024 0.000 2.459 4 K HA 0.625 4.949 4.320 0.007 0.000 0.193 4 K C 1.027 177.634 176.600 0.012 0.000 1.030 4 K CA 1.354 57.639 56.287 -0.003 0.000 1.026 4 K CB 0.032 32.530 32.500 -0.002 0.000 0.809 4 K HN 1.142 nan 8.250 nan 0.000 0.504 5 S N -0.271 115.439 115.700 0.017 0.000 2.776 5 S HA 0.268 4.742 4.470 0.007 0.000 0.284 5 S C 0.497 175.149 174.600 0.085 0.000 1.160 5 S CA -0.081 58.143 58.200 0.040 0.000 1.051 5 S CB 1.652 64.853 63.200 0.002 0.000 1.037 5 S HN 0.319 nan 8.310 nan 0.000 0.485 6 E N 3.046 123.314 120.200 0.113 0.000 2.051 6 E HA -0.123 4.232 4.350 0.007 0.000 0.192 6 E C 1.978 178.700 176.600 0.204 0.000 0.991 6 E CA 2.077 58.579 56.400 0.169 0.000 0.799 6 E CB -0.683 29.113 29.700 0.161 0.000 0.748 6 E HN 0.700 nan 8.360 nan 0.000 0.449 7 V N 1.112 121.131 119.914 0.175 0.000 2.255 7 V HA -0.208 3.916 4.120 0.007 0.000 0.247 7 V C 2.779 178.939 176.094 0.110 0.000 1.051 7 V CA 2.109 64.522 62.300 0.187 0.000 1.018 7 V CB -1.703 30.195 31.823 0.126 0.000 0.641 7 V HN 0.541 nan 8.190 nan 0.000 0.445 8 A N 0.042 122.873 122.820 0.017 0.000 1.892 8 A HA -0.345 3.979 4.320 0.007 0.000 0.218 8 A C 2.196 179.852 177.584 0.119 0.000 1.188 8 A CA 2.684 54.716 52.037 -0.009 0.000 0.631 8 A CB -0.987 17.991 19.000 -0.036 0.000 0.822 8 A HN 0.778 nan 8.150 nan 0.000 0.447 9 H N -0.196 118.907 119.070 0.055 0.000 2.293 9 H HA -0.063 4.498 4.556 0.007 0.000 0.300 9 H C 2.276 177.663 175.328 0.099 0.000 1.082 9 H CA 2.063 58.153 56.048 0.069 0.000 1.308 9 H CB -0.059 29.741 29.762 0.063 0.000 1.375 9 H HN 0.300 nan 8.280 nan 0.000 0.495 10 R N -0.514 120.021 120.500 0.058 0.000 2.105 10 R HA -0.152 4.192 4.340 0.007 0.000 0.239 10 R C 2.421 178.765 176.300 0.074 0.000 1.135 10 R CA 1.262 57.392 56.100 0.050 0.000 0.967 10 R CB -1.247 29.190 30.300 0.228 0.000 0.861 10 R HN 0.371 nan 8.270 nan 0.000 0.442 11 F N 2.184 122.081 119.950 -0.089 0.000 2.075 11 F HA -0.191 4.340 4.527 0.007 0.000 0.297 11 F C 2.262 177.962 175.800 -0.165 0.000 1.113 11 F CA 1.663 59.493 58.000 -0.285 0.000 1.218 11 F CB -0.086 38.619 39.000 -0.491 0.000 0.984 11 F HN -0.119 nan 8.300 nan 0.000 0.472 12 K N -0.098 120.343 120.400 0.068 0.000 2.063 12 K HA -0.211 4.113 4.320 0.007 0.000 0.208 12 K C 1.657 178.196 176.600 -0.102 0.000 1.048 12 K CA 1.965 58.253 56.287 0.001 0.000 0.928 12 K CB -0.377 32.148 32.500 0.042 0.000 0.713 12 K HN 0.300 nan 8.250 nan 0.000 0.442 13 D N 0.373 120.676 120.400 -0.161 0.000 2.077 13 D HA -0.121 4.523 4.640 0.007 0.000 0.197 13 D C 1.782 178.015 176.300 -0.111 0.000 0.983 13 D CA 0.830 54.738 54.000 -0.153 0.000 0.841 13 D CB -0.179 40.489 40.800 -0.220 0.000 0.992 13 D HN -0.096 nan 8.370 nan 0.000 0.450 14 L N -0.211 120.953 121.223 -0.099 0.000 2.012 14 L HA 0.103 4.447 4.340 0.007 0.000 0.210 14 L C 1.341 178.133 176.870 -0.130 0.000 1.073 14 L CA 1.897 56.694 54.840 -0.071 0.000 0.748 14 L CB -1.463 40.606 42.059 0.015 0.000 0.891 14 L HN 0.319 nan 8.230 nan 0.000 0.431 15 G N -1.634 106.996 108.800 -0.283 0.000 2.650 15 G HA2 -0.169 3.795 3.960 0.007 0.000 0.686 15 G HA3 -0.169 3.795 3.960 0.007 0.000 0.686 15 G C 0.453 175.069 174.900 -0.472 0.000 1.205 15 G CA 0.044 44.946 45.100 -0.330 0.000 0.781 15 G HN 0.190 nan 8.290 nan 0.000 0.648 16 E N -0.141 119.750 120.200 -0.515 0.000 2.058 16 E HA -0.195 4.160 4.350 0.007 0.000 0.194 16 E C 2.168 178.742 176.600 -0.043 0.000 0.997 16 E CA 1.816 57.998 56.400 -0.363 0.000 0.801 16 E CB -0.019 29.644 29.700 -0.062 0.000 0.746 16 E HN 0.537 nan 8.360 nan 0.000 0.450 17 E N 0.755 120.940 120.200 -0.025 0.000 2.012 17 E HA -0.200 4.154 4.350 0.007 0.000 0.197 17 E C 1.905 178.532 176.600 0.045 0.000 1.007 17 E CA 1.039 57.457 56.400 0.030 0.000 0.816 17 E CB -0.642 29.069 29.700 0.018 0.000 0.762 17 E HN 0.313 nan 8.360 nan 0.000 0.451 18 N N 0.462 119.172 118.700 0.017 0.000 2.104 18 N HA -0.167 4.577 4.740 0.007 0.000 0.190 18 N C 1.814 177.349 175.510 0.042 0.000 1.024 18 N CA 0.764 53.826 53.050 0.020 0.000 0.853 18 N CB -0.641 37.847 38.487 0.003 0.000 1.008 18 N HN 0.116 nan 8.380 nan 0.000 0.424 19 F N 2.100 121.984 119.950 -0.110 0.000 2.043 19 F HA -0.215 4.317 4.527 0.007 0.000 0.297 19 F C 2.165 177.979 175.800 0.022 0.000 1.121 19 F CA 1.698 59.657 58.000 -0.069 0.000 1.199 19 F CB -0.142 38.763 39.000 -0.158 0.000 0.968 19 F HN -0.082 nan 8.300 nan 0.000 0.478 20 K N -0.007 120.531 120.400 0.229 0.000 2.147 20 K HA -0.126 4.198 4.320 0.007 0.000 0.205 20 K C 2.206 178.830 176.600 0.040 0.000 1.049 20 K CA 1.083 57.460 56.287 0.150 0.000 0.936 20 K CB -0.455 32.170 32.500 0.208 0.000 0.722 20 K HN 0.400 nan 8.250 nan 0.000 0.446 21 A N 0.925 123.761 122.820 0.027 0.000 1.897 21 A HA -0.070 4.254 4.320 0.007 0.000 0.215 21 A C 2.051 179.616 177.584 -0.031 0.000 1.181 21 A CA 1.034 53.083 52.037 0.020 0.000 0.620 21 A CB -0.443 18.574 19.000 0.029 0.000 0.821 21 A HN 0.136 nan 8.150 nan 0.000 0.443 22 L N -0.522 120.641 121.223 -0.100 0.000 2.056 22 L HA -0.125 4.220 4.340 0.007 0.000 0.207 22 L C 2.509 179.261 176.870 -0.195 0.000 1.078 22 L CA 0.841 55.586 54.840 -0.159 0.000 0.749 22 L CB -0.516 41.422 42.059 -0.202 0.000 0.901 22 L HN 0.226 nan 8.230 nan 0.000 0.433 23 V N 0.061 119.817 119.914 -0.263 0.000 2.332 23 V HA -0.310 3.815 4.120 0.007 0.000 0.248 23 V C 2.427 178.556 176.094 0.058 0.000 1.055 23 V CA 1.758 63.948 62.300 -0.184 0.000 1.038 23 V CB -0.459 31.263 31.823 -0.168 0.000 0.651 23 V HN 0.323 nan 8.190 nan 0.000 0.450 24 L N 0.103 121.369 121.223 0.072 0.000 1.989 24 L HA -0.186 4.159 4.340 0.007 0.000 0.211 24 L C 2.208 179.124 176.870 0.077 0.000 1.071 24 L CA 2.054 56.967 54.840 0.122 0.000 0.749 24 L CB -0.555 41.566 42.059 0.103 0.000 0.890 24 L HN 0.229 nan 8.230 nan 0.000 0.431 25 I N -0.450 120.130 120.570 0.016 0.000 2.163 25 I HA -0.334 3.840 4.170 0.007 0.000 0.243 25 I C 2.624 178.724 176.117 -0.028 0.000 1.085 25 I CA 1.261 62.552 61.300 -0.015 0.000 1.347 25 I CB -0.752 37.222 38.000 -0.043 0.000 1.044 25 I HN 0.415 nan 8.210 nan 0.000 0.408 26 A N 0.939 123.715 122.820 -0.074 0.000 1.873 26 A HA -0.243 4.081 4.320 0.007 0.000 0.218 26 A C 2.111 179.768 177.584 0.121 0.000 1.193 26 A CA 1.812 53.787 52.037 -0.104 0.000 0.629 26 A CB -1.110 17.665 19.000 -0.375 0.000 0.826 26 A HN 0.331 nan 8.150 nan 0.000 0.447 27 F N 0.074 120.143 119.950 0.198 0.000 2.171 27 F HA -0.059 4.473 4.527 0.007 0.000 0.300 27 F C 2.765 178.589 175.800 0.041 0.000 1.090 27 F CA 0.730 58.855 58.000 0.209 0.000 1.293 27 F CB -0.630 38.481 39.000 0.184 0.000 1.013 27 F HN 0.259 nan 8.300 nan 0.000 0.486 28 A N -0.665 122.141 122.820 -0.023 0.000 2.015 28 A HA -0.191 4.134 4.320 0.007 0.000 0.219 28 A C 2.068 179.634 177.584 -0.030 0.000 1.163 28 A CA 1.302 53.229 52.037 -0.184 0.000 0.646 28 A CB -0.631 18.272 19.000 -0.163 0.000 0.806 28 A HN 0.473 nan 8.150 nan 0.000 0.448 29 Q N -2.222 117.578 119.800 -0.001 0.000 2.378 29 Q HA -0.070 4.275 4.340 0.007 0.000 0.205 29 Q C 1.256 177.133 176.000 -0.205 0.000 0.954 29 Q CA 1.125 56.849 55.803 -0.132 0.000 0.901 29 Q CB -0.072 28.526 28.738 -0.232 0.000 0.981 29 Q HN 0.873 nan 8.270 nan 0.000 0.483 30 Y N -0.541 119.759 120.300 0.000 0.000 2.351 30 Y HA 0.029 4.583 4.550 0.008 0.000 0.291 30 Y C 0.726 176.580 175.900 -0.077 0.000 1.153 30 Y CA -0.053 58.029 58.100 -0.030 0.000 1.193 30 Y CB 0.364 38.802 38.460 -0.037 0.000 1.187 30 Y HN -0.036 nan 8.280 nan 0.000 0.524 31 L N 2.468 123.814 121.223 0.204 0.000 2.533 31 L HA 0.100 4.444 4.340 0.007 0.000 0.239 31 L C 0.998 178.090 176.870 0.370 0.000 1.376 31 L CA 0.346 55.265 54.840 0.133 0.000 1.240 31 L CB -0.993 41.225 42.059 0.264 0.000 1.487 31 L HN 0.378 nan 8.230 nan 0.000 0.419 32 Q N -0.644 119.304 119.800 0.247 0.000 2.364 32 Q HA -0.174 4.170 4.340 0.007 0.000 0.209 32 Q C 1.257 177.422 176.000 0.275 0.000 0.977 32 Q CA 0.988 56.913 55.803 0.203 0.000 0.885 32 Q CB 0.181 28.982 28.738 0.105 0.000 0.941 32 Q HN 0.561 nan 8.270 nan 0.000 0.464 33 Q N -0.558 119.510 119.800 0.446 0.000 2.376 33 Q HA 0.047 4.391 4.340 0.007 0.000 0.206 33 Q C 0.604 176.742 176.000 0.230 0.000 0.921 33 Q CA 0.200 56.165 55.803 0.270 0.000 0.911 33 Q CB 0.318 29.095 28.738 0.065 0.000 1.032 33 Q HN 0.323 nan 8.270 nan 0.000 0.510 34 C N 3.804 123.299 119.300 0.324 0.000 2.676 34 C HA 0.206 4.671 4.460 0.007 0.000 0.416 34 C C -1.615 173.485 174.990 0.183 0.000 1.299 34 C CA -1.016 58.075 59.018 0.121 0.000 2.048 34 C CB 0.273 27.951 27.740 -0.104 0.000 2.713 34 C HN 0.290 nan 8.230 nan 0.000 0.624 35 P HA 0.036 nan 4.420 nan 0.000 0.274 35 P C 0.536 177.791 177.300 -0.076 0.000 1.237 35 P CA -0.069 63.072 63.100 0.070 0.000 0.793 35 P CB 0.438 32.136 31.700 -0.003 0.000 0.977 36 F N 2.123 121.802 119.950 -0.451 0.000 2.091 36 F HA -0.237 4.295 4.527 0.007 0.000 0.299 36 F C 1.993 177.599 175.800 -0.325 0.000 1.103 36 F CA 1.949 59.506 58.000 -0.739 0.000 1.228 36 F CB -0.526 37.994 39.000 -0.800 0.000 0.984 36 F HN 0.226 nan 8.300 nan 0.000 0.477 37 E N 0.346 120.363 120.200 -0.305 0.000 2.097 37 E HA -0.238 4.116 4.350 0.007 0.000 0.196 37 E C 1.900 178.295 176.600 -0.341 0.000 1.000 37 E CA 1.623 57.830 56.400 -0.322 0.000 0.804 37 E CB -0.932 28.680 29.700 -0.147 0.000 0.740 37 E HN 0.469 nan 8.360 nan 0.000 0.454 38 D N 0.201 120.418 120.400 -0.306 0.000 2.104 38 D HA -0.146 4.499 4.640 0.007 0.000 0.194 38 D C 1.944 178.008 176.300 -0.392 0.000 0.994 38 D CA 1.037 54.838 54.000 -0.331 0.000 0.830 38 D CB -0.319 40.272 40.800 -0.348 0.000 0.959 38 D HN 0.325 nan 8.370 nan 0.000 0.452 39 H N -0.042 118.839 119.070 -0.316 0.000 2.321 39 H HA -0.032 4.529 4.556 0.007 0.000 0.300 39 H C 2.404 177.527 175.328 -0.342 0.000 1.087 39 H CA 0.853 56.719 56.048 -0.303 0.000 1.319 39 H CB -0.481 29.174 29.762 -0.180 0.000 1.379 39 H HN 0.028 nan 8.280 nan 0.000 0.501 40 V N 1.480 121.169 119.914 -0.374 0.000 2.380 40 V HA -0.270 3.854 4.120 0.007 0.000 0.251 40 V C 2.589 178.563 176.094 -0.200 0.000 1.063 40 V CA 1.971 64.064 62.300 -0.343 0.000 1.055 40 V CB -0.479 31.041 31.823 -0.506 0.000 0.657 40 V HN 0.342 nan 8.190 nan 0.000 0.455 41 K N -0.142 120.127 120.400 -0.217 0.000 2.057 41 K HA -0.133 4.191 4.320 0.007 0.000 0.206 41 K C 2.186 178.695 176.600 -0.151 0.000 1.050 41 K CA 1.435 57.625 56.287 -0.162 0.000 0.935 41 K CB -0.193 32.205 32.500 -0.171 0.000 0.715 41 K HN 0.413 nan 8.250 nan 0.000 0.439 42 L N 0.580 121.665 121.223 -0.229 0.000 2.012 42 L HA -0.222 4.122 4.340 0.007 0.000 0.210 42 L C 2.456 179.265 176.870 -0.102 0.000 1.073 42 L CA 1.031 55.692 54.840 -0.300 0.000 0.748 42 L CB -0.500 41.141 42.059 -0.695 0.000 0.891 42 L HN 0.014 nan 8.230 nan 0.000 0.431 43 V N 0.290 120.190 119.914 -0.024 0.000 2.252 43 V HA -0.344 3.780 4.120 0.007 0.000 0.249 43 V C 2.307 178.482 176.094 0.135 0.000 1.056 43 V CA 2.147 64.517 62.300 0.117 0.000 1.022 43 V CB -0.724 31.152 31.823 0.089 0.000 0.641 43 V HN 0.517 nan 8.190 nan 0.000 0.445 44 N N -0.015 118.722 118.700 0.062 0.000 2.069 44 N HA -0.202 4.543 4.740 0.007 0.000 0.191 44 N C 1.831 177.394 175.510 0.088 0.000 1.031 44 N CA 1.763 54.856 53.050 0.073 0.000 0.852 44 N CB -0.332 38.166 38.487 0.017 0.000 1.018 44 N HN 0.632 nan 8.380 nan 0.000 0.423 45 E N 0.320 120.550 120.200 0.050 0.000 2.077 45 E HA -0.092 4.262 4.350 0.007 0.000 0.193 45 E C 2.054 178.743 176.600 0.148 0.000 0.989 45 E CA 0.850 57.284 56.400 0.057 0.000 0.800 45 E CB 0.047 29.739 29.700 -0.014 0.000 0.746 45 E HN 0.084 nan 8.360 nan 0.000 0.452 46 V N 1.054 121.090 119.914 0.203 0.000 2.307 46 V HA -0.235 3.889 4.120 0.007 0.000 0.245 46 V C 2.311 178.672 176.094 0.447 0.000 1.045 46 V CA 2.097 64.610 62.300 0.355 0.000 1.024 46 V CB -0.717 31.353 31.823 0.412 0.000 0.651 46 V HN 0.322 nan 8.190 nan 0.000 0.449 47 T N -0.450 114.360 114.554 0.428 0.000 2.684 47 T HA -0.195 4.159 4.350 0.007 0.000 0.267 47 T C 1.895 176.659 174.700 0.106 0.000 1.036 47 T CA 1.534 63.873 62.100 0.398 0.000 1.148 47 T CB -0.271 68.832 68.868 0.391 0.000 0.863 47 T HN 0.467 nan 8.240 nan 0.000 0.436 48 E N 0.568 120.835 120.200 0.112 0.000 2.058 48 E HA -0.128 4.227 4.350 0.007 0.000 0.194 48 E C 1.943 178.551 176.600 0.014 0.000 0.997 48 E CA 1.007 57.428 56.400 0.034 0.000 0.801 48 E CB -0.507 29.230 29.700 0.061 0.000 0.746 48 E HN 0.498 nan 8.360 nan 0.000 0.450 49 F N 1.763 121.694 119.950 -0.031 0.000 2.091 49 F HA -0.258 4.273 4.527 0.007 0.000 0.299 49 F C 2.307 178.040 175.800 -0.113 0.000 1.103 49 F CA 1.579 59.557 58.000 -0.038 0.000 1.228 49 F CB -0.713 38.303 39.000 0.025 0.000 0.984 49 F HN -0.018 nan 8.300 nan 0.000 0.477 50 A N 0.359 122.996 122.820 -0.305 0.000 1.903 50 A HA -0.297 4.028 4.320 0.007 0.000 0.219 50 A C 2.310 179.403 177.584 -0.818 0.000 1.191 50 A CA 2.352 54.020 52.037 -0.616 0.000 0.638 50 A CB -0.908 17.663 19.000 -0.715 0.000 0.823 50 A HN 0.515 nan 8.150 nan 0.000 0.451 51 K N -1.314 118.621 120.400 -0.775 0.000 2.097 51 K HA -0.098 4.226 4.320 0.007 0.000 0.206 51 K C 2.133 178.494 176.600 -0.398 0.000 1.049 51 K CA 1.584 57.493 56.287 -0.631 0.000 0.933 51 K CB -0.391 31.856 32.500 -0.422 0.000 0.717 51 K HN 0.481 nan 8.250 nan 0.000 0.442 52 T N 0.606 114.954 114.554 -0.345 0.000 2.720 52 T HA -0.178 4.176 4.350 0.007 0.000 0.268 52 T C 1.948 176.472 174.700 -0.293 0.000 1.037 52 T CA 1.307 63.255 62.100 -0.254 0.000 1.144 52 T CB -0.264 68.493 68.868 -0.186 0.000 0.864 52 T HN 0.344 nan 8.240 nan 0.000 0.444 53 c N 0.739 119.073 118.600 -0.443 0.000 2.464 53 c HA 0.113 4.687 4.570 0.007 0.000 0.278 53 c C 2.748 176.688 174.090 -0.250 0.000 1.375 53 c CA -0.203 55.911 56.329 -0.358 0.000 1.761 53 c CB -1.022 41.205 42.510 -0.471 0.000 1.944 53 c HN 0.359 nan 8.230 nan 0.000 0.509 54 V N 1.471 121.208 119.914 -0.295 0.000 2.453 54 V HA -0.145 3.980 4.120 0.007 0.000 0.247 54 V C 2.691 178.706 176.094 -0.132 0.000 1.048 54 V CA 2.130 64.311 62.300 -0.198 0.000 1.049 54 V CB -1.083 30.590 31.823 -0.249 0.000 0.672 54 V HN 0.576 nan 8.190 nan 0.000 0.457 55 A N -0.385 122.347 122.820 -0.147 0.000 1.929 55 A HA -0.102 4.222 4.320 0.007 0.000 0.216 55 A C 1.263 178.801 177.584 -0.075 0.000 1.176 55 A CA 1.681 53.660 52.037 -0.097 0.000 0.628 55 A CB -0.102 18.839 19.000 -0.097 0.000 0.816 55 A HN 0.547 nan 8.150 nan 0.000 0.444 56 D N -1.755 118.592 120.400 -0.089 0.000 2.330 56 D HA 0.260 4.905 4.640 0.007 0.000 0.249 56 D C 0.398 176.656 176.300 -0.069 0.000 1.306 56 D CA 0.168 54.130 54.000 -0.063 0.000 0.956 56 D CB 1.031 41.801 40.800 -0.051 0.000 1.261 56 D HN -0.054 nan 8.370 nan 0.000 0.544 57 E N 1.356 121.522 120.200 -0.056 0.000 2.339 57 E HA -0.145 4.209 4.350 0.007 0.000 0.201 57 E C 1.051 177.632 176.600 -0.032 0.000 1.015 57 E CA 1.571 57.942 56.400 -0.048 0.000 0.841 57 E CB -0.064 29.620 29.700 -0.026 0.000 0.754 57 E HN 0.475 nan 8.360 nan 0.000 0.508 58 S N -0.656 115.029 115.700 -0.024 0.000 2.556 58 S HA 0.515 4.990 4.470 0.007 0.000 0.216 58 S C 0.578 175.178 174.600 -0.001 0.000 0.970 58 S CA 0.128 58.324 58.200 -0.007 0.000 0.912 58 S CB 0.598 63.796 63.200 -0.004 0.000 0.790 58 S HN 0.639 nan 8.310 nan 0.000 0.504 59 A N 1.758 124.570 122.820 -0.014 0.000 2.386 59 A HA 0.247 4.572 4.320 0.007 0.000 0.246 59 A C 0.417 178.029 177.584 0.047 0.000 1.089 59 A CA -0.309 51.730 52.037 0.003 0.000 0.790 59 A CB 0.064 19.050 19.000 -0.024 0.000 1.042 59 A HN 0.410 nan 8.150 nan 0.000 0.497 60 E N 0.951 121.196 120.200 0.075 0.000 2.760 60 E HA -0.135 4.220 4.350 0.007 0.000 0.268 60 E C 0.216 176.941 176.600 0.207 0.000 0.935 60 E CA 0.854 57.322 56.400 0.113 0.000 0.960 60 E CB 0.010 29.772 29.700 0.103 0.000 0.931 60 E HN 0.677 nan 8.360 nan 0.000 0.483 61 N N 0.789 119.591 118.700 0.169 0.000 2.758 61 N HA -0.291 4.453 4.740 0.007 0.000 0.245 61 N C 0.841 176.554 175.510 0.339 0.000 1.059 61 N CA 1.270 54.449 53.050 0.216 0.000 0.900 61 N CB -1.839 36.742 38.487 0.157 0.000 1.145 61 N HN 0.494 nan 8.380 nan 0.000 0.590 62 c N 1.400 120.155 118.600 0.258 0.000 2.422 62 c HA -0.111 4.463 4.570 0.007 0.000 0.286 62 c C 2.009 176.166 174.090 0.113 0.000 1.412 62 c CA 1.057 57.464 56.329 0.129 0.000 1.786 62 c CB -0.869 41.618 42.510 -0.038 0.000 1.835 62 c HN 0.547 nan 8.230 nan 0.000 0.533 63 D N 0.187 120.653 120.400 0.110 0.000 2.350 63 D HA -0.003 4.641 4.640 0.007 0.000 0.213 63 D C 0.554 176.915 176.300 0.102 0.000 1.031 63 D CA 0.242 54.293 54.000 0.084 0.000 0.861 63 D CB -0.339 40.497 40.800 0.060 0.000 0.926 63 D HN 0.382 nan 8.370 nan 0.000 0.520 64 K N 0.996 121.478 120.400 0.137 0.000 2.258 64 K HA 0.216 4.540 4.320 0.007 0.000 0.264 64 K C 0.641 177.330 176.600 0.148 0.000 1.007 64 K CA -0.255 56.110 56.287 0.130 0.000 0.941 64 K CB 0.823 33.400 32.500 0.129 0.000 0.966 64 K HN 0.126 nan 8.250 nan 0.000 0.480 65 S N 1.691 117.472 115.700 0.134 0.000 2.592 65 S HA 0.098 4.573 4.470 0.007 0.000 0.271 65 S C 1.401 176.111 174.600 0.183 0.000 1.326 65 S CA -0.655 57.636 58.200 0.153 0.000 1.024 65 S CB 0.502 63.786 63.200 0.141 0.000 0.921 65 S HN 0.561 nan 8.310 nan 0.000 0.527 66 L N 0.803 122.141 121.223 0.191 0.000 2.043 66 L HA -0.167 4.177 4.340 0.007 0.000 0.212 66 L C 2.573 179.516 176.870 0.122 0.000 1.075 66 L CA 1.817 56.749 54.840 0.153 0.000 0.752 66 L CB -0.942 41.173 42.059 0.095 0.000 0.891 66 L HN 0.789 nan 8.230 nan 0.000 0.432 67 H N -0.714 118.397 119.070 0.069 0.000 2.319 67 H HA -0.154 4.406 4.556 0.007 0.000 0.299 67 H C 2.393 177.789 175.328 0.114 0.000 1.092 67 H CA 2.067 58.162 56.048 0.078 0.000 1.302 67 H CB -0.421 29.379 29.762 0.065 0.000 1.373 67 H HN 0.238 nan 8.280 nan 0.000 0.497 68 T N 0.578 115.263 114.554 0.218 0.000 2.737 68 T HA -0.086 4.268 4.350 0.007 0.000 0.265 68 T C 2.278 177.039 174.700 0.102 0.000 1.038 68 T CA 1.100 63.286 62.100 0.144 0.000 1.144 68 T CB -0.388 68.549 68.868 0.115 0.000 0.866 68 T HN 0.145 nan 8.240 nan 0.000 0.434 69 L N -0.075 121.216 121.223 0.113 0.000 1.989 69 L HA -0.103 4.242 4.340 0.007 0.000 0.211 69 L C 2.325 179.234 176.870 0.065 0.000 1.071 69 L CA 1.592 56.476 54.840 0.073 0.000 0.749 69 L CB -0.611 41.535 42.059 0.146 0.000 0.890 69 L HN 0.179 nan 8.230 nan 0.000 0.431 70 F N 0.805 120.711 119.950 -0.074 0.000 2.126 70 F HA -0.155 4.377 4.527 0.007 0.000 0.299 70 F C 2.246 177.935 175.800 -0.185 0.000 1.096 70 F CA 1.568 59.458 58.000 -0.183 0.000 1.255 70 F CB -0.721 38.060 39.000 -0.366 0.000 0.997 70 F HN -0.005 nan 8.300 nan 0.000 0.479 71 G N -0.156 108.616 108.800 -0.047 0.000 2.446 71 G HA2 -0.280 3.684 3.960 0.007 0.000 0.217 71 G HA3 -0.280 3.684 3.960 0.007 0.000 0.217 71 G C 1.447 176.289 174.900 -0.096 0.000 1.168 71 G CA 1.103 46.158 45.100 -0.075 0.000 0.771 71 G HN 0.344 nan 8.290 nan 0.000 0.551 72 D N 0.531 120.898 120.400 -0.054 0.000 2.097 72 D HA -0.089 4.555 4.640 0.007 0.000 0.195 72 D C 2.383 178.614 176.300 -0.114 0.000 0.989 72 D CA 1.159 55.123 54.000 -0.060 0.000 0.827 72 D CB -0.128 40.639 40.800 -0.055 0.000 0.966 72 D HN 0.152 nan 8.370 nan 0.000 0.456 73 K N 0.628 120.937 120.400 -0.152 0.000 2.103 73 K HA -0.107 4.217 4.320 0.007 0.000 0.207 73 K C 2.001 178.465 176.600 -0.227 0.000 1.048 73 K CA 0.385 56.572 56.287 -0.166 0.000 0.930 73 K CB -0.591 31.863 32.500 -0.076 0.000 0.716 73 K HN -0.011 nan 8.250 nan 0.000 0.444 74 L N 0.173 121.201 121.223 -0.325 0.000 2.046 74 L HA -0.194 4.151 4.340 0.007 0.000 0.208 74 L C 1.842 178.606 176.870 -0.178 0.000 1.077 74 L CA 1.640 56.252 54.840 -0.380 0.000 0.747 74 L CB -0.688 40.903 42.059 -0.779 0.000 0.896 74 L HN 0.251 nan 8.230 nan 0.000 0.432 75 c N -1.587 116.964 118.600 -0.082 0.000 2.491 75 c HA -0.031 4.544 4.570 0.007 0.000 0.277 75 c C 2.559 176.634 174.090 -0.025 0.000 1.455 75 c CA 0.853 57.191 56.329 0.015 0.000 1.758 75 c CB -1.401 41.144 42.510 0.058 0.000 1.745 75 c HN 0.534 nan 8.230 nan 0.000 0.558 76 T N 0.767 115.275 114.554 -0.077 0.000 2.904 76 T HA -0.039 4.315 4.350 0.007 0.000 0.267 76 T C 0.875 175.528 174.700 -0.078 0.000 1.059 76 T CA 0.710 62.759 62.100 -0.084 0.000 1.137 76 T CB -0.058 68.737 68.868 -0.121 0.000 0.879 76 T HN 0.262 nan 8.240 nan 0.000 0.467 77 V N 2.568 122.430 119.914 -0.085 0.000 2.506 77 V HA 0.059 4.184 4.120 0.007 0.000 0.296 77 V C 1.561 177.644 176.094 -0.018 0.000 1.004 77 V CA 0.113 62.376 62.300 -0.061 0.000 1.150 77 V CB -0.032 31.771 31.823 -0.033 0.000 0.911 77 V HN 0.448 nan 8.190 nan 0.000 0.476 78 A N 5.063 127.864 122.820 -0.032 0.000 1.873 78 A HA -0.118 4.207 4.320 0.007 0.000 0.215 78 A C 2.156 179.736 177.584 -0.007 0.000 1.186 78 A CA 1.886 53.910 52.037 -0.021 0.000 0.616 78 A CB -0.669 18.311 19.000 -0.034 0.000 0.823 78 A HN 0.951 nan 8.150 nan 0.000 0.442 79 T N -1.800 112.746 114.554 -0.013 0.000 3.308 79 T HA 0.090 4.445 4.350 0.007 0.000 0.255 79 T C 1.381 176.089 174.700 0.015 0.000 1.162 79 T CA 0.747 62.835 62.100 -0.020 0.000 1.031 79 T CB -0.444 68.393 68.868 -0.052 0.000 0.973 79 T HN 0.127 nan 8.240 nan 0.000 0.544 80 L N 2.311 123.583 121.223 0.083 0.000 1.951 80 L HA -0.152 4.193 4.340 0.007 0.000 0.222 80 L C 2.803 179.772 176.870 0.166 0.000 1.078 80 L CA 2.315 57.279 54.840 0.207 0.000 0.778 80 L CB -0.722 41.429 42.059 0.154 0.000 0.893 80 L HN 0.375 nan 8.230 nan 0.000 0.436 81 R N -1.117 119.431 120.500 0.080 0.000 2.120 81 R HA -0.150 4.194 4.340 0.007 0.000 0.234 81 R C 2.014 178.318 176.300 0.007 0.000 1.123 81 R CA 1.612 57.738 56.100 0.043 0.000 0.975 81 R CB -0.257 30.054 30.300 0.018 0.000 0.866 81 R HN 0.443 nan 8.270 nan 0.000 0.446 82 E N -0.273 119.916 120.200 -0.018 0.000 2.028 82 E HA -0.105 4.249 4.350 0.007 0.000 0.191 82 E C 2.080 178.619 176.600 -0.102 0.000 0.988 82 E CA 1.791 58.160 56.400 -0.051 0.000 0.799 82 E CB -0.722 28.946 29.700 -0.054 0.000 0.755 82 E HN 0.640 nan 8.360 nan 0.000 0.447 83 T N -0.044 114.400 114.554 -0.183 0.000 2.732 83 T HA -0.078 4.276 4.350 0.007 0.000 0.261 83 T C 1.600 176.014 174.700 -0.477 0.000 1.040 83 T CA 1.467 63.319 62.100 -0.414 0.000 1.145 83 T CB -0.341 68.079 68.868 -0.745 0.000 0.866 83 T HN 0.398 nan 8.240 nan 0.000 0.427 84 Y N 0.780 121.090 120.300 0.016 0.000 2.458 84 Y HA 0.401 4.955 4.550 0.007 0.000 0.254 84 Y C 2.103 177.994 175.900 -0.015 0.000 1.120 84 Y CA -0.410 57.702 58.100 0.020 0.000 1.282 84 Y CB -0.600 37.892 38.460 0.053 0.000 1.109 84 Y HN 0.361 nan 8.280 nan 0.000 0.526 85 G N 1.288 110.132 108.800 0.074 0.000 2.774 85 G HA2 -0.566 3.399 3.960 0.007 0.000 0.342 85 G HA3 -0.566 3.399 3.960 0.007 0.000 0.342 85 G C 1.401 176.295 174.900 -0.010 0.000 1.185 85 G CA 1.283 46.397 45.100 0.022 0.000 0.956 85 G HN 0.420 nan 8.290 nan 0.000 0.561 86 E N 0.167 120.337 120.200 -0.051 0.000 2.130 86 E HA -0.138 4.216 4.350 0.007 0.000 0.196 86 E C 2.583 179.007 176.600 -0.294 0.000 0.998 86 E CA 1.801 58.114 56.400 -0.144 0.000 0.806 86 E CB -0.224 29.391 29.700 -0.142 0.000 0.738 86 E HN 0.588 nan 8.360 nan 0.000 0.459 87 M N -0.049 119.380 119.600 -0.286 0.000 2.202 87 M HA -0.157 4.328 4.480 0.007 0.000 0.262 87 M C 2.081 178.304 176.300 -0.129 0.000 1.063 87 M CA 1.594 56.719 55.300 -0.291 0.000 1.097 87 M CB -0.058 32.535 32.600 -0.012 0.000 1.382 87 M HN 0.255 nan 8.290 nan 0.000 0.413 88 A N 0.012 122.818 122.820 -0.022 0.000 2.070 88 A HA -0.172 4.153 4.320 0.007 0.000 0.220 88 A C 1.490 179.044 177.584 -0.050 0.000 1.159 88 A CA 1.756 53.801 52.037 0.013 0.000 0.656 88 A CB -0.706 18.320 19.000 0.043 0.000 0.800 88 A HN 0.538 nan 8.150 nan 0.000 0.453 89 D N -0.672 119.672 120.400 -0.094 0.000 2.350 89 D HA -0.080 4.564 4.640 0.007 0.000 0.216 89 D C 1.651 177.878 176.300 -0.122 0.000 0.968 89 D CA 0.721 54.670 54.000 -0.086 0.000 0.894 89 D CB -0.410 40.345 40.800 -0.074 0.000 0.909 89 D HN 0.473 nan 8.370 nan 0.000 0.520 90 c N 0.058 118.522 118.600 -0.227 0.000 2.432 90 c HA -0.102 4.473 4.570 0.007 0.000 0.280 90 c C 2.764 176.711 174.090 -0.238 0.000 1.353 90 c CA -0.012 56.096 56.329 -0.370 0.000 1.766 90 c CB -0.915 41.009 42.510 -0.975 0.000 1.924 90 c HN 0.454 nan 8.230 nan 0.000 0.509 91 c N 0.810 119.344 118.600 -0.109 0.000 2.456 91 c HA 0.070 4.644 4.570 0.007 0.000 0.279 91 c C 2.879 176.967 174.090 -0.003 0.000 1.427 91 c CA 0.857 57.188 56.329 0.003 0.000 1.778 91 c CB -1.626 40.914 42.510 0.050 0.000 1.842 91 c HN 0.720 nan 8.230 nan 0.000 0.531 92 A N 0.509 123.315 122.820 -0.024 0.000 1.970 92 A HA -0.006 4.318 4.320 0.007 0.000 0.216 92 A C 1.094 178.674 177.584 -0.007 0.000 1.170 92 A CA 0.770 52.800 52.037 -0.012 0.000 0.645 92 A CB -0.145 18.846 19.000 -0.016 0.000 0.816 92 A HN 0.660 nan 8.150 nan 0.000 0.447 93 K N 0.551 120.940 120.400 -0.018 0.000 2.202 93 K HA 0.316 4.640 4.320 0.007 0.000 0.264 93 K C -0.181 176.428 176.600 0.015 0.000 1.010 93 K CA -0.153 56.131 56.287 -0.005 0.000 0.940 93 K CB 0.603 33.092 32.500 -0.018 0.000 0.983 93 K HN 0.379 nan 8.250 nan 0.000 0.475 94 Q N 1.136 120.950 119.800 0.023 0.000 2.221 94 Q HA 0.090 4.435 4.340 0.007 0.000 0.242 94 Q C -0.655 175.376 176.000 0.051 0.000 0.940 94 Q CA -0.601 55.224 55.803 0.037 0.000 0.896 94 Q CB 1.395 30.151 28.738 0.030 0.000 1.226 94 Q HN 0.357 nan 8.270 nan 0.000 0.463 95 E N 1.827 122.067 120.200 0.067 0.000 2.398 95 E HA -0.012 4.342 4.350 0.007 0.000 0.263 95 E C -1.726 174.907 176.600 0.055 0.000 1.046 95 E CA -0.954 55.495 56.400 0.082 0.000 0.908 95 E CB 0.626 30.384 29.700 0.097 0.000 0.963 95 E HN 0.307 nan 8.360 nan 0.000 0.431 96 P HA 0.048 nan 4.420 nan 0.000 0.255 96 P C -0.041 177.312 177.300 0.089 0.000 1.248 96 P CA 0.333 63.476 63.100 0.072 0.000 0.807 96 P CB 0.564 32.286 31.700 0.037 0.000 1.150 97 E N 0.765 121.003 120.200 0.064 0.000 2.118 97 E HA -0.176 4.179 4.350 0.007 0.000 0.195 97 E C 2.259 178.889 176.600 0.049 0.000 0.992 97 E CA 1.090 57.522 56.400 0.052 0.000 0.804 97 E CB -0.603 29.115 29.700 0.030 0.000 0.741 97 E HN 0.207 nan 8.360 nan 0.000 0.458 98 R N 0.535 121.071 120.500 0.061 0.000 2.080 98 R HA -0.208 4.136 4.340 0.007 0.000 0.236 98 R C 2.124 178.522 176.300 0.164 0.000 1.137 98 R CA 1.920 58.049 56.100 0.048 0.000 0.943 98 R CB -0.256 30.117 30.300 0.123 0.000 0.846 98 R HN 0.140 nan 8.270 nan 0.000 0.431 99 N N 0.097 118.966 118.700 0.281 0.000 2.084 99 N HA -0.214 4.531 4.740 0.007 0.000 0.190 99 N C 1.647 177.340 175.510 0.305 0.000 1.030 99 N CA 1.689 54.972 53.050 0.390 0.000 0.849 99 N CB -0.093 38.627 38.487 0.387 0.000 1.012 99 N HN 0.199 nan 8.380 nan 0.000 0.423 100 E N 0.135 120.450 120.200 0.192 0.000 2.058 100 E HA -0.172 4.183 4.350 0.007 0.000 0.194 100 E C 2.099 178.767 176.600 0.113 0.000 0.997 100 E CA 1.100 57.587 56.400 0.145 0.000 0.801 100 E CB -0.993 28.782 29.700 0.125 0.000 0.746 100 E HN 0.477 nan 8.360 nan 0.000 0.450 101 c N -0.330 118.304 118.600 0.057 0.000 2.413 101 c HA -0.155 4.419 4.570 0.007 0.000 0.277 101 c C 2.430 176.554 174.090 0.057 0.000 1.265 101 c CA 0.918 57.245 56.329 -0.004 0.000 1.752 101 c CB -1.559 40.876 42.510 -0.126 0.000 1.998 101 c HN 0.469 nan 8.230 nan 0.000 0.489 102 F N 0.436 120.513 119.950 0.210 0.000 2.113 102 F HA -0.007 4.524 4.527 0.007 0.000 0.297 102 F C 2.137 178.076 175.800 0.233 0.000 1.103 102 F CA 1.210 59.374 58.000 0.274 0.000 1.248 102 F CB -1.078 38.095 39.000 0.289 0.000 0.999 102 F HN 0.076 nan 8.300 nan 0.000 0.475 103 L N 0.219 121.649 121.223 0.345 0.000 2.043 103 L HA -0.268 4.076 4.340 0.007 0.000 0.212 103 L C 2.284 179.198 176.870 0.073 0.000 1.075 103 L CA 1.760 56.679 54.840 0.131 0.000 0.752 103 L CB -1.559 40.492 42.059 -0.012 0.000 0.891 103 L HN 0.296 nan 8.230 nan 0.000 0.432 104 Q N -1.430 118.370 119.800 -0.001 0.000 2.364 104 Q HA -0.149 4.195 4.340 0.007 0.000 0.209 104 Q C 0.672 176.473 176.000 -0.332 0.000 0.977 104 Q CA 0.898 56.593 55.803 -0.179 0.000 0.885 104 Q CB -0.084 28.464 28.738 -0.316 0.000 0.941 104 Q HN 0.641 nan 8.270 nan 0.000 0.464 105 H N -0.481 118.660 119.070 0.119 0.000 2.512 105 H HA 0.225 4.785 4.556 0.008 0.000 0.276 105 H C -0.308 175.086 175.328 0.110 0.000 1.126 105 H CA -0.086 56.031 56.048 0.115 0.000 1.060 105 H CB 0.376 30.208 29.762 0.118 0.000 1.646 105 H HN 0.001 nan 8.280 nan 0.000 0.571 106 K N 2.445 122.924 120.400 0.131 0.000 2.222 106 K HA 0.008 4.332 4.320 0.007 0.000 0.243 106 K C -0.419 176.243 176.600 0.104 0.000 1.160 106 K CA -0.459 55.837 56.287 0.015 0.000 1.090 106 K CB -0.021 32.351 32.500 -0.213 0.000 1.694 106 K HN 0.028 nan 8.250 nan 0.000 0.361 107 D N 2.813 123.283 120.400 0.117 0.000 2.536 107 D HA -0.114 4.531 4.640 0.007 0.000 0.260 107 D C 0.952 177.337 176.300 0.141 0.000 1.270 107 D CA 0.790 54.864 54.000 0.123 0.000 0.934 107 D CB 0.537 41.401 40.800 0.107 0.000 1.129 107 D HN 0.654 nan 8.370 nan 0.000 0.533 108 D N 3.583 124.105 120.400 0.203 0.000 2.384 108 D HA -0.159 4.485 4.640 0.007 0.000 0.222 108 D C 0.705 177.069 176.300 0.107 0.000 0.976 108 D CA 0.661 54.806 54.000 0.242 0.000 0.915 108 D CB -0.149 40.695 40.800 0.073 0.000 0.896 108 D HN 0.448 nan 8.370 nan 0.000 0.523 109 N N -0.482 118.252 118.700 0.057 0.000 2.969 109 N HA 0.137 4.881 4.740 0.007 0.000 0.230 109 N C -3.267 172.248 175.510 0.008 0.000 1.397 109 N CA -0.899 52.158 53.050 0.011 0.000 0.762 109 N CB 2.005 40.496 38.487 0.008 0.000 1.495 109 N HN 0.071 nan 8.380 nan 0.000 0.583 110 P HA 0.262 nan 4.420 nan 0.000 0.277 110 P C -0.682 176.614 177.300 -0.006 0.000 1.276 110 P CA -0.350 62.754 63.100 0.008 0.000 0.788 110 P CB 1.026 32.731 31.700 0.008 0.000 1.114 111 N N 0.441 119.142 118.700 0.002 0.000 3.301 111 N HA 0.282 5.026 4.740 0.007 0.000 0.289 111 N C -0.299 175.206 175.510 -0.010 0.000 1.343 111 N CA -0.050 52.997 53.050 -0.004 0.000 1.136 111 N CB 0.002 38.491 38.487 0.003 0.000 1.402 111 N HN 0.319 nan 8.380 nan 0.000 0.516 112 L N 0.946 122.155 121.223 -0.024 0.000 2.344 112 L HA 0.540 4.885 4.340 0.007 0.000 0.272 112 L C -1.773 175.082 176.870 -0.025 0.000 1.035 112 L CA -1.822 53.001 54.840 -0.028 0.000 0.807 112 L CB 0.805 42.833 42.059 -0.053 0.000 1.237 112 L HN 0.003 nan 8.230 nan 0.000 0.442 113 P HA 0.130 nan 4.420 nan 0.000 0.271 113 P C -1.111 176.182 177.300 -0.012 0.000 1.218 113 P CA -0.552 62.541 63.100 -0.011 0.000 0.780 113 P CB 0.380 32.076 31.700 -0.006 0.000 0.901 114 R N 1.858 122.357 120.500 -0.002 0.000 2.585 114 R HA 0.174 4.519 4.340 0.007 0.000 0.275 114 R C -0.474 175.834 176.300 0.013 0.000 1.018 114 R CA -0.552 55.551 56.100 0.006 0.000 1.072 114 R CB -0.214 30.094 30.300 0.014 0.000 0.953 114 R HN 0.220 nan 8.270 nan 0.000 0.419 115 L N 4.644 125.879 121.223 0.020 0.000 2.418 115 L HA 0.086 4.430 4.340 0.007 0.000 0.274 115 L C -0.174 176.732 176.870 0.060 0.000 1.135 115 L CA 0.018 54.881 54.840 0.039 0.000 0.870 115 L CB 1.237 43.325 42.059 0.050 0.000 1.154 115 L HN 0.636 nan 8.230 nan 0.000 0.462 116 V N 3.430 123.386 119.914 0.069 0.000 2.567 116 V HA 0.517 4.641 4.120 0.007 0.000 0.289 116 V C 0.287 176.443 176.094 0.102 0.000 1.049 116 V CA -0.944 61.399 62.300 0.072 0.000 0.969 116 V CB 1.191 33.049 31.823 0.059 0.000 0.995 116 V HN 0.826 nan 8.190 nan 0.000 0.471 117 R N 4.492 125.042 120.500 0.083 0.000 2.216 117 R HA 0.462 4.807 4.340 0.007 0.000 0.332 117 R C -2.267 174.091 176.300 0.097 0.000 1.056 117 R CA -1.310 54.842 56.100 0.087 0.000 0.901 117 R CB 0.694 31.033 30.300 0.065 0.000 1.039 117 R HN 0.723 nan 8.270 nan 0.000 0.456 118 P HA 0.042 nan 4.420 nan 0.000 0.282 118 P C -0.886 176.476 177.300 0.103 0.000 1.286 118 P CA -0.334 62.842 63.100 0.127 0.000 0.777 118 P CB 0.500 32.307 31.700 0.179 0.000 1.184 119 E N -0.279 119.975 120.200 0.090 0.000 2.331 119 E HA 0.052 4.407 4.350 0.007 0.000 0.272 119 E C 1.419 178.068 176.600 0.081 0.000 1.036 119 E CA -0.264 56.178 56.400 0.069 0.000 0.864 119 E CB 0.706 30.437 29.700 0.052 0.000 1.035 119 E HN 0.036 nan 8.360 nan 0.000 0.408 120 V N 2.771 122.723 119.914 0.064 0.000 2.277 120 V HA -0.335 3.789 4.120 0.007 0.000 0.253 120 V C 1.480 177.616 176.094 0.069 0.000 1.067 120 V CA 2.222 64.562 62.300 0.066 0.000 1.047 120 V CB -0.380 31.458 31.823 0.025 0.000 0.649 120 V HN 0.563 nan 8.190 nan 0.000 0.447 121 D N -0.038 120.390 120.400 0.047 0.000 2.097 121 D HA -0.137 4.507 4.640 0.007 0.000 0.195 121 D C 2.221 178.546 176.300 0.042 0.000 0.989 121 D CA 1.785 55.807 54.000 0.036 0.000 0.827 121 D CB -0.535 40.279 40.800 0.022 0.000 0.966 121 D HN 0.484 nan 8.370 nan 0.000 0.456 122 V N -0.811 119.136 119.914 0.055 0.000 2.407 122 V HA -0.250 3.875 4.120 0.007 0.000 0.248 122 V C 2.120 178.254 176.094 0.068 0.000 1.055 122 V CA 1.440 63.778 62.300 0.063 0.000 1.049 122 V CB -0.637 31.233 31.823 0.079 0.000 0.662 122 V HN 0.106 nan 8.190 nan 0.000 0.455 123 M N -0.402 119.256 119.600 0.095 0.000 2.099 123 M HA -0.134 4.351 4.480 0.007 0.000 0.262 123 M C 2.480 178.702 176.300 -0.130 0.000 1.067 123 M CA 2.324 57.661 55.300 0.062 0.000 1.124 123 M CB -0.777 31.981 32.600 0.262 0.000 1.353 123 M HN 0.515 nan 8.290 nan 0.000 0.410 124 c N 0.216 118.840 118.600 0.040 0.000 2.425 124 c HA -0.123 4.451 4.570 0.007 0.000 0.277 124 c C 2.907 177.037 174.090 0.067 0.000 1.280 124 c CA 1.411 57.795 56.329 0.091 0.000 1.744 124 c CB -1.017 41.558 42.510 0.109 0.000 1.989 124 c HN 0.570 nan 8.230 nan 0.000 0.491 125 T N 0.841 115.404 114.554 0.014 0.000 2.821 125 T HA -0.073 4.282 4.350 0.007 0.000 0.267 125 T C 2.088 176.788 174.700 0.000 0.000 1.046 125 T CA 1.481 63.588 62.100 0.012 0.000 1.139 125 T CB -0.332 68.538 68.868 0.003 0.000 0.871 125 T HN 0.635 nan 8.240 nan 0.000 0.454 126 A N 1.289 124.065 122.820 -0.074 0.000 1.873 126 A HA -0.004 4.321 4.320 0.007 0.000 0.215 126 A C 1.975 179.396 177.584 -0.271 0.000 1.186 126 A CA 1.292 53.273 52.037 -0.094 0.000 0.616 126 A CB -0.983 18.021 19.000 0.007 0.000 0.823 126 A HN 0.449 nan 8.150 nan 0.000 0.442 127 F N 0.671 120.122 119.950 -0.832 0.000 2.025 127 F HA -0.276 4.255 4.527 0.008 0.000 0.297 127 F C 2.428 178.069 175.800 -0.265 0.000 1.132 127 F CA 2.497 59.992 58.000 -0.842 0.000 1.191 127 F CB -0.830 37.655 39.000 -0.859 0.000 0.963 127 F HN 0.534 nan 8.300 nan 0.000 0.481 128 H N 0.115 118.990 119.070 -0.324 0.000 2.353 128 H HA -0.181 4.379 4.556 0.007 0.000 0.298 128 H C 1.779 176.956 175.328 -0.251 0.000 1.103 128 H CA 2.259 58.119 56.048 -0.314 0.000 1.293 128 H CB -0.623 29.093 29.762 -0.076 0.000 1.372 128 H HN 0.314 nan 8.280 nan 0.000 0.501 129 D N 0.374 120.754 120.400 -0.033 0.000 2.097 129 D HA -0.121 4.524 4.640 0.007 0.000 0.195 129 D C 0.694 176.917 176.300 -0.128 0.000 0.989 129 D CA 1.132 55.109 54.000 -0.038 0.000 0.827 129 D CB -0.120 40.704 40.800 0.041 0.000 0.966 129 D HN 0.257 nan 8.370 nan 0.000 0.456 130 N N 0.140 118.767 118.700 -0.122 0.000 2.711 130 N HA -0.015 4.730 4.740 0.007 0.000 0.263 130 N C 0.431 175.897 175.510 -0.073 0.000 1.667 130 N CA -0.081 52.921 53.050 -0.079 0.000 0.785 130 N CB 0.675 39.164 38.487 0.005 0.000 1.231 130 N HN -0.012 nan 8.380 nan 0.000 0.503 131 E N 0.700 120.760 120.200 -0.235 0.000 2.086 131 E HA -0.265 4.090 4.350 0.007 0.000 0.205 131 E C 0.953 177.570 176.600 0.029 0.000 1.027 131 E CA 1.441 57.687 56.400 -0.256 0.000 0.830 131 E CB 0.260 29.691 29.700 -0.448 0.000 0.751 131 E HN 0.495 nan 8.360 nan 0.000 0.456 132 E N -0.526 119.684 120.200 0.016 0.000 2.012 132 E HA -0.201 4.153 4.350 0.007 0.000 0.197 132 E C 2.288 178.958 176.600 0.116 0.000 1.007 132 E CA 2.091 58.535 56.400 0.074 0.000 0.816 132 E CB -0.368 29.364 29.700 0.054 0.000 0.762 132 E HN 0.472 nan 8.360 nan 0.000 0.451 133 T N -0.908 113.715 114.554 0.114 0.000 2.929 133 T HA -0.160 4.195 4.350 0.007 0.000 0.271 133 T C 1.835 176.566 174.700 0.051 0.000 1.085 133 T CA 1.067 63.242 62.100 0.123 0.000 1.125 133 T CB -0.487 68.461 68.868 0.133 0.000 0.874 133 T HN 0.174 nan 8.240 nan 0.000 0.494 134 F N 1.630 121.575 119.950 -0.009 0.000 2.113 134 F HA 0.179 4.710 4.527 0.007 0.000 0.297 134 F C 1.891 177.735 175.800 0.072 0.000 1.103 134 F CA 1.098 59.109 58.000 0.018 0.000 1.248 134 F CB -0.327 38.690 39.000 0.028 0.000 0.999 134 F HN 0.123 nan 8.300 nan 0.000 0.475 135 L N -0.054 121.188 121.223 0.031 0.000 2.072 135 L HA -0.147 4.197 4.340 0.007 0.000 0.205 135 L C 2.527 179.368 176.870 -0.048 0.000 1.079 135 L CA 0.796 55.607 54.840 -0.048 0.000 0.752 135 L CB -0.675 41.464 42.059 0.135 0.000 0.906 135 L HN -0.031 nan 8.230 nan 0.000 0.436 136 K N 0.561 120.974 120.400 0.021 0.000 2.026 136 K HA -0.208 4.117 4.320 0.007 0.000 0.208 136 K C 2.045 178.621 176.600 -0.039 0.000 1.048 136 K CA 1.273 57.621 56.287 0.101 0.000 0.929 136 K CB -0.335 32.334 32.500 0.281 0.000 0.713 136 K HN 0.033 nan 8.250 nan 0.000 0.439 137 K N 0.485 120.619 120.400 -0.443 0.000 2.074 137 K HA -0.170 4.154 4.320 0.007 0.000 0.209 137 K C 2.064 178.335 176.600 -0.548 0.000 1.048 137 K CA 1.548 57.226 56.287 -1.014 0.000 0.926 137 K CB -0.481 31.395 32.500 -1.039 0.000 0.713 137 K HN 0.143 nan 8.250 nan 0.000 0.444 138 Y N 0.070 120.125 120.300 -0.408 0.000 2.337 138 Y HA 0.018 4.572 4.550 0.007 0.000 0.293 138 Y C 2.027 177.797 175.900 -0.217 0.000 1.123 138 Y CA 0.961 58.858 58.100 -0.339 0.000 1.201 138 Y CB -0.037 38.126 38.460 -0.496 0.000 1.011 138 Y HN 0.006 nan 8.280 nan 0.000 0.545 139 L N -0.883 120.327 121.223 -0.022 0.000 2.042 139 L HA -0.310 4.034 4.340 0.007 0.000 0.210 139 L C 2.422 179.306 176.870 0.024 0.000 1.076 139 L CA 1.860 56.696 54.840 -0.006 0.000 0.749 139 L CB -0.510 41.574 42.059 0.041 0.000 0.893 139 L HN 0.368 nan 8.230 nan 0.000 0.432 140 Y N 0.856 121.126 120.300 -0.049 0.000 2.128 140 Y HA -0.289 4.266 4.550 0.008 0.000 0.284 140 Y C 2.520 178.385 175.900 -0.059 0.000 1.154 140 Y CA 1.806 59.900 58.100 -0.010 0.000 1.149 140 Y CB -0.203 38.348 38.460 0.153 0.000 0.976 140 Y HN 0.165 nan 8.280 nan 0.000 0.505 141 E N 0.432 120.489 120.200 -0.239 0.000 2.118 141 E HA -0.184 4.170 4.350 0.007 0.000 0.195 141 E C 2.272 178.733 176.600 -0.231 0.000 0.992 141 E CA 1.403 57.605 56.400 -0.331 0.000 0.804 141 E CB -0.232 29.339 29.700 -0.215 0.000 0.741 141 E HN 0.538 nan 8.360 nan 0.000 0.458 142 I N 0.764 121.250 120.570 -0.140 0.000 2.277 142 I HA -0.119 4.056 4.170 0.007 0.000 0.243 142 I C 2.450 178.529 176.117 -0.062 0.000 1.094 142 I CA 0.879 62.136 61.300 -0.072 0.000 1.393 142 I CB -1.490 36.434 38.000 -0.127 0.000 1.078 142 I HN -0.064 nan 8.210 nan 0.000 0.417 143 A N 2.335 125.088 122.820 -0.111 0.000 1.892 143 A HA -0.243 4.081 4.320 0.007 0.000 0.218 143 A C 2.421 179.937 177.584 -0.113 0.000 1.188 143 A CA 2.224 54.210 52.037 -0.085 0.000 0.631 143 A CB -0.784 18.169 19.000 -0.078 0.000 0.822 143 A HN 0.541 nan 8.150 nan 0.000 0.447 144 R N -0.705 119.663 120.500 -0.221 0.000 2.152 144 R HA -0.061 4.284 4.340 0.007 0.000 0.232 144 R C 1.867 178.061 176.300 -0.177 0.000 1.117 144 R CA 1.467 57.439 56.100 -0.213 0.000 0.981 144 R CB -0.393 29.704 30.300 -0.338 0.000 0.870 144 R HN 0.470 nan 8.270 nan 0.000 0.451 145 R N -0.095 120.275 120.500 -0.217 0.000 2.240 145 R HA 0.085 4.429 4.340 0.007 0.000 0.203 145 R C 0.096 176.076 176.300 -0.533 0.000 1.011 145 R CA 0.497 56.398 56.100 -0.333 0.000 1.007 145 R CB 0.222 30.303 30.300 -0.365 0.000 0.911 145 R HN 0.362 nan 8.270 nan 0.000 0.468 146 H N -0.556 118.507 119.070 -0.012 0.000 2.380 146 H HA 0.187 4.748 4.556 0.007 0.000 0.231 146 H C -2.139 173.232 175.328 0.071 0.000 1.415 146 H CA -2.016 54.082 56.048 0.082 0.000 1.433 146 H CB 1.477 31.309 29.762 0.118 0.000 1.544 146 H HN -0.057 nan 8.280 nan 0.000 0.503 147 P HA -0.136 nan 4.420 nan 0.000 0.223 147 P C 0.518 177.612 177.300 -0.343 0.000 1.144 147 P CA 1.361 64.347 63.100 -0.190 0.000 0.783 147 P CB 0.037 31.562 31.700 -0.291 0.000 0.771 148 Y N -3.939 116.412 120.300 0.085 0.000 2.444 148 Y HA 0.272 4.826 4.550 0.008 0.000 0.249 148 Y C 0.835 176.821 175.900 0.144 0.000 1.134 148 Y CA -0.777 57.368 58.100 0.075 0.000 1.261 148 Y CB -0.379 38.105 38.460 0.039 0.000 1.143 148 Y HN -0.189 nan 8.280 nan 0.000 0.523 149 F N 1.324 121.380 119.950 0.177 0.000 2.571 149 F HA 0.009 4.541 4.527 0.008 0.000 0.384 149 F C 0.385 176.286 175.800 0.169 0.000 1.058 149 F CA -1.033 57.065 58.000 0.163 0.000 1.200 149 F CB -0.058 39.009 39.000 0.112 0.000 1.077 149 F HN 0.034 nan 8.300 nan 0.000 0.558 150 Y N 6.700 127.060 120.300 0.100 0.000 2.804 150 Y HA 0.118 4.673 4.550 0.008 0.000 0.338 150 Y C 1.114 177.160 175.900 0.243 0.000 1.252 150 Y CA -0.153 58.017 58.100 0.116 0.000 1.576 150 Y CB 0.231 38.709 38.460 0.030 0.000 1.223 150 Y HN 0.788 nan 8.280 nan 0.000 0.536 151 A N 7.715 130.407 122.820 -0.213 0.000 1.870 151 A HA -0.238 4.086 4.320 0.007 0.000 0.219 151 A C -0.259 177.184 177.584 -0.234 0.000 1.224 151 A CA 2.176 54.087 52.037 -0.211 0.000 0.650 151 A CB -1.969 16.869 19.000 -0.269 0.000 0.836 151 A HN 0.722 nan 8.150 nan 0.000 0.454 152 P HA -0.164 nan 4.420 nan 0.000 0.217 152 P C 1.373 178.680 177.300 0.012 0.000 1.148 152 P CA 1.567 64.516 63.100 -0.251 0.000 0.828 152 P CB -0.044 31.460 31.700 -0.326 0.000 0.783 153 E N -0.986 119.298 120.200 0.141 0.000 2.152 153 E HA -0.133 4.222 4.350 0.007 0.000 0.192 153 E C 1.757 178.672 176.600 0.525 0.000 0.983 153 E CA 0.499 57.107 56.400 0.347 0.000 0.818 153 E CB -0.351 29.661 29.700 0.520 0.000 0.758 153 E HN 0.056 nan 8.360 nan 0.000 0.467 154 L N 0.930 122.418 121.223 0.441 0.000 2.046 154 L HA -0.165 4.180 4.340 0.007 0.000 0.208 154 L C 2.294 179.298 176.870 0.224 0.000 1.077 154 L CA 1.179 56.177 54.840 0.263 0.000 0.747 154 L CB -0.664 41.435 42.059 0.067 0.000 0.896 154 L HN 0.225 nan 8.230 nan 0.000 0.432 155 L N -1.337 119.973 121.223 0.146 0.000 2.046 155 L HA -0.226 4.118 4.340 0.007 0.000 0.208 155 L C 2.342 179.288 176.870 0.126 0.000 1.077 155 L CA 1.706 56.608 54.840 0.103 0.000 0.747 155 L CB -1.034 41.054 42.059 0.049 0.000 0.896 155 L HN 0.347 nan 8.230 nan 0.000 0.432 156 F N -0.781 119.159 119.950 -0.015 0.000 2.126 156 F HA -0.281 4.250 4.527 0.008 0.000 0.299 156 F C 2.000 177.752 175.800 -0.080 0.000 1.096 156 F CA 1.633 59.553 58.000 -0.133 0.000 1.255 156 F CB -0.453 38.322 39.000 -0.375 0.000 0.997 156 F HN 0.097 nan 8.300 nan 0.000 0.479 157 F N 0.593 120.606 119.950 0.106 0.000 2.146 157 F HA -0.065 4.466 4.527 0.007 0.000 0.298 157 F C 2.623 178.495 175.800 0.120 0.000 1.096 157 F CA 1.294 59.345 58.000 0.085 0.000 1.275 157 F CB -1.385 37.739 39.000 0.206 0.000 1.008 157 F HN 0.076 nan 8.300 nan 0.000 0.480 158 A N 0.246 123.239 122.820 0.288 0.000 1.892 158 A HA -0.282 4.043 4.320 0.007 0.000 0.218 158 A C 2.244 179.939 177.584 0.186 0.000 1.188 158 A CA 2.186 54.351 52.037 0.213 0.000 0.631 158 A CB -0.747 18.320 19.000 0.112 0.000 0.822 158 A HN 0.387 nan 8.150 nan 0.000 0.447 159 K N -0.849 119.579 120.400 0.046 0.000 2.097 159 K HA -0.143 4.182 4.320 0.007 0.000 0.206 159 K C 2.287 178.864 176.600 -0.038 0.000 1.049 159 K CA 1.509 57.791 56.287 -0.009 0.000 0.933 159 K CB -0.206 32.233 32.500 -0.102 0.000 0.717 159 K HN 0.404 nan 8.250 nan 0.000 0.442 160 R N -0.176 120.235 120.500 -0.148 0.000 2.096 160 R HA -0.134 4.210 4.340 0.007 0.000 0.235 160 R C 2.151 178.414 176.300 -0.062 0.000 1.127 160 R CA 1.501 57.499 56.100 -0.171 0.000 0.968 160 R CB -0.311 29.831 30.300 -0.262 0.000 0.861 160 R HN 0.235 nan 8.270 nan 0.000 0.440 161 Y N 0.903 121.227 120.300 0.041 0.000 2.145 161 Y HA -0.248 4.306 4.550 0.007 0.000 0.286 161 Y C 2.486 178.508 175.900 0.204 0.000 1.145 161 Y CA 1.618 59.791 58.100 0.122 0.000 1.148 161 Y CB -0.140 38.435 38.460 0.191 0.000 0.981 161 Y HN -0.021 nan 8.280 nan 0.000 0.507 162 K N 0.261 120.867 120.400 0.342 0.000 2.063 162 K HA -0.242 4.083 4.320 0.007 0.000 0.208 162 K C 2.234 178.949 176.600 0.191 0.000 1.048 162 K CA 1.319 57.791 56.287 0.309 0.000 0.928 162 K CB -0.337 32.324 32.500 0.268 0.000 0.713 162 K HN 0.283 nan 8.250 nan 0.000 0.442 163 A N 1.128 124.006 122.820 0.096 0.000 1.877 163 A HA -0.126 4.198 4.320 0.007 0.000 0.216 163 A C 2.373 179.941 177.584 -0.026 0.000 1.186 163 A CA 1.996 54.053 52.037 0.034 0.000 0.620 163 A CB -0.928 18.062 19.000 -0.016 0.000 0.822 163 A HN 0.512 nan 8.150 nan 0.000 0.443 164 A N -1.175 121.587 122.820 -0.097 0.000 1.908 164 A HA -0.071 4.253 4.320 0.007 0.000 0.218 164 A C 1.979 179.365 177.584 -0.330 0.000 1.181 164 A CA 1.723 53.618 52.037 -0.237 0.000 0.627 164 A CB -0.784 17.997 19.000 -0.364 0.000 0.818 164 A HN 0.477 nan 8.150 nan 0.000 0.445 165 F N 0.313 120.077 119.950 -0.310 0.000 2.146 165 F HA -0.097 4.434 4.527 0.007 0.000 0.298 165 F C 2.788 178.306 175.800 -0.469 0.000 1.096 165 F CA 1.820 59.442 58.000 -0.629 0.000 1.275 165 F CB -0.882 37.267 39.000 -1.419 0.000 1.008 165 F HN 0.127 nan 8.300 nan 0.000 0.480 166 T N -0.756 113.776 114.554 -0.037 0.000 2.746 166 T HA -0.227 4.128 4.350 0.007 0.000 0.267 166 T C 1.898 176.658 174.700 0.099 0.000 1.039 166 T CA 1.646 63.870 62.100 0.206 0.000 1.142 166 T CB -0.257 68.755 68.868 0.239 0.000 0.866 166 T HN 0.346 nan 8.240 nan 0.000 0.444 167 E N -0.240 119.969 120.200 0.015 0.000 2.028 167 E HA -0.114 4.241 4.350 0.007 0.000 0.190 167 E C 2.327 178.912 176.600 -0.025 0.000 0.984 167 E CA 1.118 57.514 56.400 -0.005 0.000 0.800 167 E CB -0.130 29.549 29.700 -0.035 0.000 0.758 167 E HN 0.436 nan 8.360 nan 0.000 0.448 168 c N 0.423 118.974 118.600 -0.081 0.000 2.440 168 c HA -0.072 4.502 4.570 0.007 0.000 0.278 168 c C 2.795 176.859 174.090 -0.044 0.000 1.295 168 c CA 0.262 56.536 56.329 -0.092 0.000 1.738 168 c CB -0.859 41.542 42.510 -0.182 0.000 1.987 168 c HN 0.635 nan 8.230 nan 0.000 0.492 169 c N 0.471 119.066 118.600 -0.008 0.000 2.430 169 c HA -0.098 4.477 4.570 0.007 0.000 0.288 169 c C 2.563 176.692 174.090 0.065 0.000 1.448 169 c CA 0.941 57.305 56.329 0.059 0.000 1.784 169 c CB -1.733 40.879 42.510 0.170 0.000 1.776 169 c HN 0.667 nan 8.230 nan 0.000 0.547 170 Q N 0.568 120.401 119.800 0.056 0.000 2.297 170 Q HA 0.213 4.557 4.340 0.007 0.000 0.203 170 Q C 1.342 177.354 176.000 0.020 0.000 0.931 170 Q CA 0.334 56.166 55.803 0.048 0.000 0.885 170 Q CB -0.142 28.630 28.738 0.056 0.000 0.991 170 Q HN 0.628 nan 8.270 nan 0.000 0.498 171 A N 1.078 123.902 122.820 0.007 0.000 2.615 171 A HA 0.111 4.435 4.320 0.007 0.000 0.230 171 A C 1.247 178.828 177.584 -0.005 0.000 1.062 171 A CA 0.686 52.720 52.037 -0.005 0.000 0.758 171 A CB 0.010 18.997 19.000 -0.021 0.000 0.995 171 A HN 0.407 nan 8.150 nan 0.000 0.511 172 A N 0.892 123.708 122.820 -0.007 0.000 1.829 172 A HA -0.061 4.263 4.320 0.007 0.000 0.216 172 A C 1.208 178.786 177.584 -0.009 0.000 1.207 172 A CA 1.905 53.938 52.037 -0.006 0.000 0.622 172 A CB -0.524 18.472 19.000 -0.007 0.000 0.846 172 A HN 0.855 nan 8.150 nan 0.000 0.447 173 D N -0.440 119.952 120.400 -0.013 0.000 2.468 173 D HA 0.275 4.920 4.640 0.007 0.000 0.218 173 D C 0.873 177.160 176.300 -0.022 0.000 1.155 173 D CA -0.067 53.924 54.000 -0.015 0.000 0.924 173 D CB 0.527 41.318 40.800 -0.016 0.000 1.029 173 D HN 0.312 nan 8.370 nan 0.000 0.515 174 K N 1.939 122.327 120.400 -0.019 0.000 2.044 174 K HA -0.192 4.132 4.320 0.007 0.000 0.210 174 K C 1.895 178.470 176.600 -0.043 0.000 1.049 174 K CA 1.599 57.870 56.287 -0.028 0.000 0.927 174 K CB 0.006 32.498 32.500 -0.013 0.000 0.713 174 K HN 0.413 nan 8.250 nan 0.000 0.443 175 A N 1.425 124.227 122.820 -0.030 0.000 1.902 175 A HA -0.134 4.190 4.320 0.007 0.000 0.217 175 A C 2.355 179.914 177.584 -0.041 0.000 1.181 175 A CA 1.900 53.917 52.037 -0.034 0.000 0.623 175 A CB -0.772 18.218 19.000 -0.018 0.000 0.818 175 A HN 0.361 nan 8.150 nan 0.000 0.443 176 A N -1.645 121.154 122.820 -0.034 0.000 2.125 176 A HA -0.108 4.217 4.320 0.007 0.000 0.219 176 A C 2.245 179.802 177.584 -0.046 0.000 1.156 176 A CA 1.622 53.639 52.037 -0.034 0.000 0.671 176 A CB -1.004 17.980 19.000 -0.026 0.000 0.794 176 A HN 0.771 nan 8.150 nan 0.000 0.459 177 c N -1.963 116.601 118.600 -0.059 0.000 2.543 177 c HA 0.260 4.835 4.570 0.007 0.000 0.289 177 c C 2.303 176.323 174.090 -0.116 0.000 1.368 177 c CA 0.865 57.148 56.329 -0.077 0.000 1.778 177 c CB -1.033 41.433 42.510 -0.073 0.000 2.155 177 c HN 0.519 nan 8.230 nan 0.000 0.529 178 L N 0.934 122.071 121.223 -0.142 0.000 2.007 178 L HA 0.085 4.429 4.340 0.007 0.000 0.205 178 L C 2.280 179.045 176.870 -0.176 0.000 1.073 178 L CA 1.815 56.523 54.840 -0.219 0.000 0.744 178 L CB -1.156 40.751 42.059 -0.253 0.000 0.898 178 L HN 0.225 nan 8.230 nan 0.000 0.435 179 L N 0.608 121.764 121.223 -0.111 0.000 1.997 179 L HA -0.232 4.113 4.340 0.007 0.000 0.227 179 L C -0.328 176.499 176.870 -0.071 0.000 1.087 179 L CA 2.882 57.679 54.840 -0.073 0.000 0.797 179 L CB -2.456 39.578 42.059 -0.042 0.000 0.902 179 L HN 0.271 nan 8.230 nan 0.000 0.441 180 P HA -0.216 nan 4.420 nan 0.000 0.216 180 P C 1.477 178.732 177.300 -0.074 0.000 1.153 180 P CA 1.737 64.805 63.100 -0.054 0.000 0.858 180 P CB -0.074 31.599 31.700 -0.045 0.000 0.789 181 K N -0.333 119.998 120.400 -0.116 0.000 2.057 181 K HA -0.048 4.276 4.320 0.007 0.000 0.207 181 K C 2.412 178.904 176.600 -0.181 0.000 1.049 181 K CA 1.063 57.257 56.287 -0.155 0.000 0.931 181 K CB -0.597 31.775 32.500 -0.213 0.000 0.714 181 K HN 0.182 nan 8.250 nan 0.000 0.440 182 L N 1.218 122.339 121.223 -0.170 0.000 2.079 182 L HA -0.230 4.115 4.340 0.007 0.000 0.210 182 L C 1.902 178.747 176.870 -0.041 0.000 1.081 182 L CA 1.136 55.914 54.840 -0.103 0.000 0.752 182 L CB -0.507 41.530 42.059 -0.037 0.000 0.896 182 L HN 0.215 nan 8.230 nan 0.000 0.433 183 D N 0.259 120.639 120.400 -0.035 0.000 2.144 183 D HA -0.159 4.486 4.640 0.007 0.000 0.200 183 D C 2.340 178.640 176.300 0.000 0.000 0.978 183 D CA 1.605 55.602 54.000 -0.005 0.000 0.833 183 D CB 0.080 40.879 40.800 -0.001 0.000 0.961 183 D HN 0.453 nan 8.370 nan 0.000 0.470 184 E N 0.849 121.038 120.200 -0.018 0.000 2.204 184 E HA -0.063 4.292 4.350 0.007 0.000 0.194 184 E C 2.290 178.906 176.600 0.026 0.000 0.989 184 E CA 0.476 56.881 56.400 0.009 0.000 0.824 184 E CB -0.773 28.925 29.700 -0.002 0.000 0.756 184 E HN 0.272 nan 8.360 nan 0.000 0.477 185 L N -0.848 120.350 121.223 -0.042 0.000 2.131 185 L HA 0.023 4.367 4.340 0.007 0.000 0.206 185 L C 2.934 179.813 176.870 0.016 0.000 1.087 185 L CA 1.232 56.046 54.840 -0.042 0.000 0.767 185 L CB -0.191 41.617 42.059 -0.417 0.000 0.917 185 L HN 0.272 nan 8.230 nan 0.000 0.441 186 R N 0.583 121.102 120.500 0.031 0.000 2.070 186 R HA -0.192 4.152 4.340 0.007 0.000 0.232 186 R C 1.906 178.221 176.300 0.026 0.000 1.138 186 R CA 2.192 58.310 56.100 0.030 0.000 0.936 186 R CB -0.289 30.038 30.300 0.045 0.000 0.839 186 R HN 0.288 nan 8.270 nan 0.000 0.429 187 D N 0.387 120.819 120.400 0.052 0.000 2.116 187 D HA -0.228 4.417 4.640 0.007 0.000 0.193 187 D C 1.748 178.119 176.300 0.119 0.000 0.998 187 D CA 1.503 55.550 54.000 0.078 0.000 0.836 187 D CB -0.355 40.493 40.800 0.080 0.000 0.951 187 D HN 0.453 nan 8.370 nan 0.000 0.449 188 E N 0.050 120.344 120.200 0.157 0.000 2.160 188 E HA -0.128 4.226 4.350 0.007 0.000 0.195 188 E C 2.086 178.845 176.600 0.265 0.000 0.991 188 E CA 1.172 57.732 56.400 0.266 0.000 0.810 188 E CB -0.170 29.755 29.700 0.375 0.000 0.742 188 E HN 0.298 nan 8.360 nan 0.000 0.466 189 G N 0.650 109.463 108.800 0.022 0.000 2.396 189 G HA2 -0.214 3.751 3.960 0.007 0.000 0.214 189 G HA3 -0.214 3.751 3.960 0.007 0.000 0.214 189 G C 1.403 176.326 174.900 0.038 0.000 1.166 189 G CA 0.513 45.503 45.100 -0.184 0.000 0.793 189 G HN 0.142 nan 8.290 nan 0.000 0.533 190 K N 0.683 121.103 120.400 0.033 0.000 2.057 190 K HA 0.050 4.374 4.320 0.007 0.000 0.207 190 K C 2.908 179.564 176.600 0.094 0.000 1.049 190 K CA 1.011 57.333 56.287 0.058 0.000 0.931 190 K CB -0.202 32.332 32.500 0.057 0.000 0.714 190 K HN 0.252 nan 8.250 nan 0.000 0.440 191 A N 0.926 123.820 122.820 0.123 0.000 1.877 191 A HA -0.204 4.120 4.320 0.007 0.000 0.216 191 A C 2.244 179.894 177.584 0.109 0.000 1.186 191 A CA 2.107 54.220 52.037 0.127 0.000 0.620 191 A CB -0.770 18.332 19.000 0.169 0.000 0.822 191 A HN 0.283 nan 8.150 nan 0.000 0.443 192 S N -0.929 114.873 115.700 0.170 0.000 2.368 192 S HA -0.139 4.336 4.470 0.007 0.000 0.225 192 S C 2.330 176.910 174.600 -0.033 0.000 1.030 192 S CA 1.871 60.144 58.200 0.122 0.000 0.999 192 S CB -0.456 62.937 63.200 0.322 0.000 0.844 192 S HN 0.598 nan 8.310 nan 0.000 0.459 193 S N 0.729 116.455 115.700 0.044 0.000 2.348 193 S HA -0.035 4.440 4.470 0.007 0.000 0.221 193 S C 2.151 176.748 174.600 -0.005 0.000 1.033 193 S CA 1.497 59.699 58.200 0.002 0.000 1.010 193 S CB -0.873 62.403 63.200 0.127 0.000 0.891 193 S HN 0.707 nan 8.310 nan 0.000 0.442 194 A N 1.396 124.231 122.820 0.025 0.000 1.908 194 A HA -0.141 4.184 4.320 0.007 0.000 0.218 194 A C 2.102 179.673 177.584 -0.022 0.000 1.181 194 A CA 1.782 53.825 52.037 0.010 0.000 0.627 194 A CB -0.606 18.409 19.000 0.026 0.000 0.818 194 A HN 0.632 nan 8.150 nan 0.000 0.445 195 K N -0.717 119.667 120.400 -0.026 0.000 2.057 195 K HA -0.190 4.134 4.320 0.007 0.000 0.207 195 K C 2.365 178.915 176.600 -0.083 0.000 1.049 195 K CA 1.634 57.889 56.287 -0.054 0.000 0.931 195 K CB -0.213 32.262 32.500 -0.042 0.000 0.714 195 K HN 0.612 nan 8.250 nan 0.000 0.440 196 Q N 0.457 120.205 119.800 -0.087 0.000 2.050 196 Q HA -0.128 4.216 4.340 0.007 0.000 0.202 196 Q C 2.182 178.127 176.000 -0.090 0.000 0.980 196 Q CA 1.452 57.197 55.803 -0.096 0.000 0.840 196 Q CB 0.022 28.674 28.738 -0.143 0.000 0.898 196 Q HN 0.256 nan 8.270 nan 0.000 0.424 197 R N -0.026 120.427 120.500 -0.078 0.000 2.092 197 R HA -0.134 4.211 4.340 0.007 0.000 0.231 197 R C 2.272 178.514 176.300 -0.098 0.000 1.119 197 R CA 0.741 56.789 56.100 -0.085 0.000 0.970 197 R CB -0.367 29.899 30.300 -0.057 0.000 0.864 197 R HN 0.164 nan 8.270 nan 0.000 0.440 198 L N 1.856 123.027 121.223 -0.087 0.000 1.955 198 L HA -0.224 4.121 4.340 0.007 0.000 0.213 198 L C 1.856 178.647 176.870 -0.131 0.000 1.072 198 L CA 1.915 56.699 54.840 -0.093 0.000 0.755 198 L CB -0.468 41.542 42.059 -0.081 0.000 0.888 198 L HN -0.016 nan 8.230 nan 0.000 0.432 199 K N -1.288 119.009 120.400 -0.171 0.000 2.059 199 K HA -0.242 4.083 4.320 0.007 0.000 0.212 199 K C 2.094 178.566 176.600 -0.213 0.000 1.050 199 K CA 2.000 58.147 56.287 -0.233 0.000 0.927 199 K CB -0.710 31.616 32.500 -0.291 0.000 0.714 199 K HN 0.474 nan 8.250 nan 0.000 0.447 200 c N 0.430 118.923 118.600 -0.177 0.000 2.425 200 c HA -0.100 4.474 4.570 0.007 0.000 0.277 200 c C 2.918 176.905 174.090 -0.172 0.000 1.280 200 c CA 0.710 56.935 56.329 -0.174 0.000 1.744 200 c CB -1.040 41.387 42.510 -0.139 0.000 1.989 200 c HN 0.560 nan 8.230 nan 0.000 0.491 201 A N 0.806 123.530 122.820 -0.160 0.000 1.877 201 A HA -0.155 4.169 4.320 0.007 0.000 0.216 201 A C 2.256 179.715 177.584 -0.208 0.000 1.186 201 A CA 2.341 54.276 52.037 -0.171 0.000 0.620 201 A CB -0.876 18.035 19.000 -0.147 0.000 0.822 201 A HN 0.562 nan 8.150 nan 0.000 0.443 202 S N -0.179 115.426 115.700 -0.158 0.000 2.359 202 S HA -0.185 4.290 4.470 0.007 0.000 0.222 202 S C 1.873 176.436 174.600 -0.062 0.000 1.038 202 S CA 1.472 59.626 58.200 -0.077 0.000 1.051 202 S CB -0.652 62.576 63.200 0.047 0.000 0.944 202 S HN 0.506 nan 8.310 nan 0.000 0.433 203 L N 1.192 122.353 121.223 -0.103 0.000 2.189 203 L HA -0.281 4.063 4.340 0.007 0.000 0.214 203 L C 3.052 179.854 176.870 -0.113 0.000 1.097 203 L CA 1.798 56.560 54.840 -0.131 0.000 0.764 203 L CB -0.781 41.082 42.059 -0.327 0.000 0.900 203 L HN 0.552 nan 8.230 nan 0.000 0.436 204 Q N 0.231 119.939 119.800 -0.153 0.000 1.969 204 Q HA -0.232 4.112 4.340 0.007 0.000 0.198 204 Q C 2.137 178.039 176.000 -0.163 0.000 0.978 204 Q CA 1.762 57.475 55.803 -0.150 0.000 0.830 204 Q CB -0.571 28.071 28.738 -0.161 0.000 0.896 204 Q HN 0.550 nan 8.270 nan 0.000 0.431 205 K N -0.285 119.941 120.400 -0.290 0.000 1.973 205 K HA 0.010 4.334 4.320 0.007 0.000 0.210 205 K C 1.873 178.351 176.600 -0.203 0.000 1.045 205 K CA 1.493 57.561 56.287 -0.366 0.000 0.937 205 K CB -0.273 31.775 32.500 -0.753 0.000 0.721 205 K HN 0.406 nan 8.250 nan 0.000 0.438 206 F N 0.939 120.884 119.950 -0.007 0.000 2.604 206 F HA 0.123 4.656 4.527 0.010 0.000 0.298 206 F C 1.421 177.236 175.800 0.025 0.000 1.131 206 F CA 0.624 58.630 58.000 0.012 0.000 1.457 206 F CB -1.059 37.953 39.000 0.020 0.000 1.095 206 F HN 0.266 nan 8.300 nan 0.000 0.574 207 G N 0.242 109.134 108.800 0.152 0.000 2.814 207 G HA2 -0.299 3.666 3.960 0.007 0.000 0.677 207 G HA3 -0.299 3.666 3.960 0.007 0.000 0.677 207 G C 0.596 175.583 174.900 0.146 0.000 1.429 207 G CA 0.043 45.209 45.100 0.110 0.000 0.868 207 G HN 0.288 nan 8.290 nan 0.000 0.553 208 E N -0.123 120.145 120.200 0.113 0.000 2.049 208 E HA -0.239 4.115 4.350 0.007 0.000 0.198 208 E C 2.538 179.263 176.600 0.209 0.000 1.007 208 E CA 1.720 58.215 56.400 0.158 0.000 0.809 208 E CB -0.099 29.664 29.700 0.105 0.000 0.749 208 E HN 0.575 nan 8.360 nan 0.000 0.450 209 R N 0.020 120.610 120.500 0.151 0.000 2.143 209 R HA -0.270 4.074 4.340 0.007 0.000 0.239 209 R C 2.282 178.669 176.300 0.146 0.000 1.126 209 R CA 2.005 58.186 56.100 0.136 0.000 0.927 209 R CB -0.582 29.782 30.300 0.105 0.000 0.860 209 R HN 0.258 nan 8.270 nan 0.000 0.433 210 A N -0.060 122.848 122.820 0.148 0.000 1.986 210 A HA -0.219 4.106 4.320 0.007 0.000 0.220 210 A C 2.026 179.714 177.584 0.173 0.000 1.171 210 A CA 1.590 53.704 52.037 0.129 0.000 0.640 210 A CB -0.805 18.264 19.000 0.114 0.000 0.811 210 A HN 0.597 nan 8.150 nan 0.000 0.451 211 F N 0.482 120.494 119.950 0.103 0.000 2.098 211 F HA -0.059 4.473 4.527 0.007 0.000 0.294 211 F C 2.136 178.040 175.800 0.175 0.000 1.107 211 F CA 1.961 60.023 58.000 0.104 0.000 1.234 211 F CB -0.276 38.743 39.000 0.031 0.000 1.002 211 F HN 0.105 nan 8.300 nan 0.000 0.472 212 K N 0.296 120.762 120.400 0.110 0.000 2.074 212 K HA -0.212 4.112 4.320 0.007 0.000 0.209 212 K C 2.282 178.871 176.600 -0.018 0.000 1.048 212 K CA 1.344 57.655 56.287 0.040 0.000 0.926 212 K CB -0.624 31.951 32.500 0.125 0.000 0.713 212 K HN 0.377 nan 8.250 nan 0.000 0.444 213 A N 0.825 123.663 122.820 0.030 0.000 1.883 213 A HA -0.219 4.106 4.320 0.007 0.000 0.217 213 A C 1.952 179.512 177.584 -0.039 0.000 1.186 213 A CA 1.564 53.614 52.037 0.022 0.000 0.624 213 A CB -1.024 18.004 19.000 0.047 0.000 0.822 213 A HN 0.631 nan 8.150 nan 0.000 0.444 214 W N 0.578 121.738 121.300 -0.233 0.000 2.338 214 W HA -0.147 4.516 4.660 0.005 0.000 0.304 214 W C 2.452 178.779 176.519 -0.321 0.000 1.212 214 W CA 2.431 59.607 57.345 -0.282 0.000 1.264 214 W CB -0.184 29.065 29.460 -0.352 0.000 1.142 214 W HN 0.372 nan 8.180 nan 0.000 0.512 215 A N -0.180 122.521 122.820 -0.199 0.000 1.877 215 A HA -0.190 4.134 4.320 0.007 0.000 0.216 215 A C 2.021 179.441 177.584 -0.272 0.000 1.186 215 A CA 2.406 54.287 52.037 -0.260 0.000 0.620 215 A CB -1.318 17.584 19.000 -0.163 0.000 0.822 215 A HN 0.184 nan 8.150 nan 0.000 0.443 216 V N 0.045 119.864 119.914 -0.158 0.000 2.282 216 V HA -0.326 3.798 4.120 0.007 0.000 0.249 216 V C 3.060 179.067 176.094 -0.146 0.000 1.057 216 V CA 2.218 64.471 62.300 -0.078 0.000 1.032 216 V CB -1.396 30.446 31.823 0.032 0.000 0.645 216 V HN 0.646 nan 8.190 nan 0.000 0.447 217 A N 0.098 122.765 122.820 -0.255 0.000 1.858 217 A HA -0.274 4.051 4.320 0.007 0.000 0.216 217 A C 2.311 179.641 177.584 -0.424 0.000 1.190 217 A CA 2.304 54.150 52.037 -0.319 0.000 0.617 217 A CB -0.601 18.177 19.000 -0.370 0.000 0.827 217 A HN 0.445 nan 8.150 nan 0.000 0.443 218 R N -0.046 120.050 120.500 -0.674 0.000 2.083 218 R HA -0.018 4.326 4.340 0.007 0.000 0.237 218 R C 1.960 177.970 176.300 -0.484 0.000 1.137 218 R CA 1.699 57.385 56.100 -0.690 0.000 0.951 218 R CB -0.916 28.719 30.300 -1.108 0.000 0.851 218 R HN 0.532 nan 8.270 nan 0.000 0.434 219 L N -0.237 120.753 121.223 -0.388 0.000 2.131 219 L HA -0.142 4.203 4.340 0.007 0.000 0.210 219 L C 2.194 178.914 176.870 -0.250 0.000 1.092 219 L CA 1.445 56.095 54.840 -0.317 0.000 0.759 219 L CB -0.292 41.714 42.059 -0.089 0.000 0.903 219 L HN 0.229 nan 8.230 nan 0.000 0.435 220 S N -0.755 114.855 115.700 -0.149 0.000 2.357 220 S HA -0.180 4.295 4.470 0.007 0.000 0.221 220 S C 1.872 176.361 174.600 -0.186 0.000 1.031 220 S CA 0.964 59.118 58.200 -0.076 0.000 0.982 220 S CB -0.118 63.044 63.200 -0.063 0.000 0.853 220 S HN 0.442 nan 8.310 nan 0.000 0.458 221 Q N 0.601 120.252 119.800 -0.249 0.000 2.096 221 Q HA -0.109 4.235 4.340 0.007 0.000 0.204 221 Q C 2.416 178.266 176.000 -0.250 0.000 0.982 221 Q CA 1.181 56.839 55.803 -0.242 0.000 0.850 221 Q CB -0.157 28.431 28.738 -0.249 0.000 0.901 221 Q HN 0.370 nan 8.270 nan 0.000 0.422 222 R N -0.377 119.895 120.500 -0.381 0.000 2.093 222 R HA -0.037 4.308 4.340 0.007 0.000 0.224 222 R C -0.027 176.050 176.300 -0.372 0.000 1.101 222 R CA 0.704 56.496 56.100 -0.514 0.000 0.979 222 R CB 0.381 30.138 30.300 -0.906 0.000 0.877 222 R HN 0.089 nan 8.270 nan 0.000 0.441 223 F N 0.866 120.791 119.950 -0.041 0.000 2.471 223 F HA 0.349 4.881 4.527 0.008 0.000 0.318 223 F C -1.737 174.062 175.800 -0.003 0.000 1.308 223 F CA -3.226 54.767 58.000 -0.012 0.000 1.162 223 F CB 1.380 40.389 39.000 0.015 0.000 1.383 223 F HN -0.048 nan 8.300 nan 0.000 0.552 224 P HA -0.144 nan 4.420 nan 0.000 0.222 224 P C 0.846 178.172 177.300 0.044 0.000 1.147 224 P CA 1.266 64.359 63.100 -0.010 0.000 0.790 224 P CB 0.364 32.013 31.700 -0.086 0.000 0.780 225 K N -0.587 119.868 120.400 0.093 0.000 2.400 225 K HA 0.235 4.559 4.320 0.007 0.000 0.194 225 K C 1.152 177.826 176.600 0.124 0.000 1.033 225 K CA -0.136 56.201 56.287 0.085 0.000 1.021 225 K CB 0.150 32.681 32.500 0.051 0.000 0.808 225 K HN 0.072 nan 8.250 nan 0.000 0.505 226 A N 1.774 124.700 122.820 0.176 0.000 2.322 226 A HA 0.141 4.465 4.320 0.007 0.000 0.269 226 A C -0.197 177.525 177.584 0.230 0.000 1.094 226 A CA -0.379 51.753 52.037 0.157 0.000 0.807 226 A CB 0.330 19.412 19.000 0.137 0.000 1.047 226 A HN 0.159 nan 8.150 nan 0.000 0.487 227 E N -0.254 120.022 120.200 0.127 0.000 2.392 227 E HA 0.136 4.491 4.350 0.007 0.000 0.256 227 E C 0.222 176.768 176.600 -0.089 0.000 1.145 227 E CA -0.088 56.363 56.400 0.086 0.000 0.929 227 E CB 0.357 30.088 29.700 0.052 0.000 0.998 227 E HN 0.630 nan 8.360 nan 0.000 0.442 228 F N 1.827 121.477 119.950 -0.499 0.000 2.293 228 F HA -0.096 4.435 4.527 0.007 0.000 0.300 228 F C 1.767 177.396 175.800 -0.285 0.000 1.086 228 F CA 1.517 59.064 58.000 -0.755 0.000 1.375 228 F CB -0.035 38.484 39.000 -0.801 0.000 1.045 228 F HN 0.492 nan 8.300 nan 0.000 0.516 229 A N -0.394 122.320 122.820 -0.178 0.000 1.968 229 A HA -0.128 4.197 4.320 0.007 0.000 0.217 229 A C 2.033 179.512 177.584 -0.175 0.000 1.169 229 A CA 1.564 53.501 52.037 -0.166 0.000 0.638 229 A CB -0.659 18.333 19.000 -0.013 0.000 0.812 229 A HN 0.409 nan 8.150 nan 0.000 0.446 230 E N -0.222 119.910 120.200 -0.114 0.000 2.072 230 E HA -0.067 4.287 4.350 0.007 0.000 0.190 230 E C 1.842 178.398 176.600 -0.073 0.000 0.982 230 E CA 1.227 57.604 56.400 -0.039 0.000 0.803 230 E CB -0.264 29.444 29.700 0.014 0.000 0.755 230 E HN 0.236 nan 8.360 nan 0.000 0.453 231 V N 0.110 119.932 119.914 -0.152 0.000 2.427 231 V HA -0.203 3.922 4.120 0.007 0.000 0.248 231 V C 2.207 178.153 176.094 -0.247 0.000 1.051 231 V CA 1.843 64.064 62.300 -0.133 0.000 1.048 231 V CB -0.427 31.332 31.823 -0.108 0.000 0.666 231 V HN 0.220 nan 8.190 nan 0.000 0.456 232 S N -0.716 114.701 115.700 -0.472 0.000 2.368 232 S HA -0.163 4.311 4.470 0.007 0.000 0.224 232 S C 2.099 176.584 174.600 -0.191 0.000 1.029 232 S CA 1.085 59.048 58.200 -0.395 0.000 0.988 232 S CB -0.262 62.626 63.200 -0.520 0.000 0.838 232 S HN 0.413 nan 8.310 nan 0.000 0.462 233 K N 1.698 121.996 120.400 -0.169 0.000 2.009 233 K HA -0.053 4.271 4.320 0.007 0.000 0.210 233 K C 1.995 178.525 176.600 -0.118 0.000 1.049 233 K CA 1.354 57.560 56.287 -0.135 0.000 0.929 233 K CB -0.762 31.659 32.500 -0.131 0.000 0.714 233 K HN 0.352 nan 8.250 nan 0.000 0.440 234 L N 0.575 121.757 121.223 -0.069 0.000 2.012 234 L HA -0.191 4.153 4.340 0.007 0.000 0.210 234 L C 2.551 179.438 176.870 0.028 0.000 1.073 234 L CA 0.972 55.811 54.840 -0.001 0.000 0.748 234 L CB -0.603 41.513 42.059 0.095 0.000 0.891 234 L HN -0.064 nan 8.230 nan 0.000 0.431 235 V N -0.385 119.534 119.914 0.009 0.000 2.392 235 V HA -0.285 3.839 4.120 0.007 0.000 0.249 235 V C 2.556 178.698 176.094 0.080 0.000 1.059 235 V CA 2.294 64.621 62.300 0.046 0.000 1.051 235 V CB -0.777 31.044 31.823 -0.002 0.000 0.658 235 V HN 0.504 nan 8.190 nan 0.000 0.455 236 T N -0.311 114.258 114.554 0.025 0.000 2.643 236 T HA -0.182 4.172 4.350 0.007 0.000 0.264 236 T C 1.678 176.404 174.700 0.043 0.000 1.045 236 T CA 1.712 63.832 62.100 0.032 0.000 1.155 236 T CB -0.393 68.466 68.868 -0.014 0.000 0.863 236 T HN 0.483 nan 8.240 nan 0.000 0.420 237 D N 1.014 121.415 120.400 0.001 0.000 2.144 237 D HA -0.047 4.597 4.640 0.007 0.000 0.199 237 D C 2.026 178.359 176.300 0.055 0.000 0.984 237 D CA 0.571 54.569 54.000 -0.004 0.000 0.834 237 D CB -0.439 40.321 40.800 -0.066 0.000 0.955 237 D HN 0.158 nan 8.370 nan 0.000 0.465 238 L N 0.823 122.116 121.223 0.117 0.000 2.141 238 L HA -0.091 4.254 4.340 0.007 0.000 0.209 238 L C 2.087 179.159 176.870 0.337 0.000 1.094 238 L CA 1.609 56.579 54.840 0.217 0.000 0.763 238 L CB -0.760 41.474 42.059 0.291 0.000 0.908 238 L HN -0.083 nan 8.230 nan 0.000 0.437 239 T N -0.715 114.035 114.554 0.327 0.000 2.857 239 T HA -0.182 4.173 4.350 0.007 0.000 0.266 239 T C 1.866 176.626 174.700 0.099 0.000 1.048 239 T CA 1.508 63.799 62.100 0.319 0.000 1.139 239 T CB -0.102 68.955 68.868 0.315 0.000 0.874 239 T HN 0.341 nan 8.240 nan 0.000 0.455 240 K N 0.923 121.365 120.400 0.069 0.000 2.057 240 K HA -0.069 4.255 4.320 0.007 0.000 0.206 240 K C 2.197 178.792 176.600 -0.009 0.000 1.050 240 K CA 0.955 57.252 56.287 0.016 0.000 0.935 240 K CB -0.294 32.212 32.500 0.009 0.000 0.715 240 K HN 0.116 nan 8.250 nan 0.000 0.439 241 V N 1.444 121.349 119.914 -0.015 0.000 2.255 241 V HA -0.281 3.844 4.120 0.007 0.000 0.247 241 V C 2.397 178.394 176.094 -0.162 0.000 1.051 241 V CA 1.960 64.203 62.300 -0.096 0.000 1.018 241 V CB -0.685 31.056 31.823 -0.137 0.000 0.641 241 V HN 0.464 nan 8.190 nan 0.000 0.445 242 H N -0.098 118.916 119.070 -0.093 0.000 2.353 242 H HA -0.136 4.425 4.556 0.008 0.000 0.300 242 H C 2.487 177.690 175.328 -0.209 0.000 1.090 242 H CA 2.098 58.033 56.048 -0.189 0.000 1.327 242 H CB -0.494 29.065 29.762 -0.338 0.000 1.383 242 H HN 0.422 nan 8.280 nan 0.000 0.508 243 T N 0.850 115.347 114.554 -0.094 0.000 2.607 243 T HA -0.162 4.193 4.350 0.007 0.000 0.267 243 T C 1.943 176.626 174.700 -0.028 0.000 1.049 243 T CA 1.587 63.629 62.100 -0.096 0.000 1.162 243 T CB -0.202 68.615 68.868 -0.086 0.000 0.863 243 T HN 0.461 nan 8.240 nan 0.000 0.424 244 E N -0.107 120.087 120.200 -0.009 0.000 2.038 244 E HA -0.146 4.209 4.350 0.007 0.000 0.195 244 E C 2.569 179.203 176.600 0.057 0.000 1.000 244 E CA 1.375 57.803 56.400 0.047 0.000 0.803 244 E CB -0.269 29.450 29.700 0.032 0.000 0.750 244 E HN 0.462 nan 8.360 nan 0.000 0.448 245 c N 0.233 118.820 118.600 -0.021 0.000 2.413 245 c HA -0.165 4.409 4.570 0.007 0.000 0.277 245 c C 2.851 176.961 174.090 0.033 0.000 1.265 245 c CA 0.237 56.544 56.329 -0.035 0.000 1.752 245 c CB -0.886 41.515 42.510 -0.181 0.000 1.998 245 c HN 0.612 nan 8.230 nan 0.000 0.489 246 c N -1.105 117.511 118.600 0.027 0.000 2.446 246 c HA -0.117 4.457 4.570 0.007 0.000 0.279 246 c C 2.534 176.705 174.090 0.136 0.000 1.366 246 c CA 0.859 57.214 56.329 0.044 0.000 1.763 246 c CB -1.924 40.566 42.510 -0.032 0.000 1.929 246 c HN 0.712 nan 8.230 nan 0.000 0.509 247 H N 0.146 119.234 119.070 0.030 0.000 2.518 247 H HA 0.004 4.564 4.556 0.007 0.000 0.289 247 H C 1.896 177.312 175.328 0.147 0.000 1.051 247 H CA 0.913 56.998 56.048 0.061 0.000 1.280 247 H CB -0.069 29.720 29.762 0.045 0.000 1.380 247 H HN 0.556 nan 8.280 nan 0.000 0.566 248 G N 0.760 109.662 108.800 0.170 0.000 2.194 248 G HA2 -0.246 3.718 3.960 0.007 0.000 0.236 248 G HA3 -0.246 3.718 3.960 0.007 0.000 0.236 248 G C -0.034 174.845 174.900 -0.035 0.000 0.987 248 G CA 0.217 45.384 45.100 0.111 0.000 0.635 248 G HN 0.535 nan 8.290 nan 0.000 0.520 249 D N 1.159 121.544 120.400 -0.025 0.000 2.352 249 D HA 0.319 4.964 4.640 0.007 0.000 0.245 249 D C 1.717 178.039 176.300 0.036 0.000 1.224 249 D CA -0.371 53.634 54.000 0.008 0.000 0.879 249 D CB 1.010 41.852 40.800 0.069 0.000 1.057 249 D HN 0.111 nan 8.370 nan 0.000 0.491 250 L N 5.862 127.080 121.223 -0.009 0.000 1.990 250 L HA -0.213 4.131 4.340 0.007 0.000 0.213 250 L C 2.028 178.915 176.870 0.029 0.000 1.072 250 L CA 1.756 56.603 54.840 0.012 0.000 0.755 250 L CB -0.653 41.339 42.059 -0.112 0.000 0.889 250 L HN 0.561 nan 8.230 nan 0.000 0.432 251 L N -0.742 120.450 121.223 -0.052 0.000 1.970 251 L HA -0.250 4.094 4.340 0.007 0.000 0.212 251 L C 2.655 179.589 176.870 0.106 0.000 1.071 251 L CA 1.823 56.669 54.840 0.011 0.000 0.751 251 L CB -0.717 41.337 42.059 -0.009 0.000 0.889 251 L HN 0.364 nan 8.230 nan 0.000 0.432 252 E N -0.176 120.114 120.200 0.151 0.000 2.049 252 E HA -0.287 4.068 4.350 0.007 0.000 0.198 252 E C 2.274 178.924 176.600 0.084 0.000 1.007 252 E CA 1.952 58.425 56.400 0.122 0.000 0.809 252 E CB -0.668 29.108 29.700 0.126 0.000 0.749 252 E HN 0.515 nan 8.360 nan 0.000 0.450 253 c N 0.150 118.798 118.600 0.081 0.000 2.401 253 c HA -0.111 4.464 4.570 0.007 0.000 0.276 253 c C 2.769 176.894 174.090 0.058 0.000 1.233 253 c CA 1.796 58.149 56.329 0.040 0.000 1.753 253 c CB -1.436 41.103 42.510 0.049 0.000 2.029 253 c HN 0.555 nan 8.230 nan 0.000 0.478 254 A N 0.127 123.045 122.820 0.163 0.000 1.873 254 A HA -0.130 4.195 4.320 0.007 0.000 0.215 254 A C 1.944 179.598 177.584 0.117 0.000 1.186 254 A CA 2.120 54.279 52.037 0.204 0.000 0.616 254 A CB -0.794 18.313 19.000 0.178 0.000 0.823 254 A HN 0.637 nan 8.150 nan 0.000 0.442 255 D N 0.335 120.792 120.400 0.095 0.000 2.117 255 D HA -0.126 4.518 4.640 0.007 0.000 0.197 255 D C 1.364 177.699 176.300 0.060 0.000 0.987 255 D CA 1.383 55.432 54.000 0.082 0.000 0.829 255 D CB -0.374 40.476 40.800 0.083 0.000 0.961 255 D HN 0.393 nan 8.370 nan 0.000 0.460 256 D N 0.393 120.817 120.400 0.039 0.000 2.117 256 D HA -0.095 4.549 4.640 0.007 0.000 0.197 256 D C 2.184 178.489 176.300 0.008 0.000 0.987 256 D CA 0.616 54.625 54.000 0.015 0.000 0.829 256 D CB -0.121 40.674 40.800 -0.008 0.000 0.961 256 D HN 0.230 nan 8.370 nan 0.000 0.460 257 R N 0.724 121.222 120.500 -0.004 0.000 2.081 257 R HA -0.057 4.288 4.340 0.007 0.000 0.235 257 R C 2.323 178.648 176.300 0.042 0.000 1.131 257 R CA 1.239 57.334 56.100 -0.008 0.000 0.960 257 R CB -0.306 29.974 30.300 -0.033 0.000 0.856 257 R HN 0.104 nan 8.270 nan 0.000 0.436 258 A N 1.588 124.448 122.820 0.066 0.000 1.877 258 A HA -0.200 4.125 4.320 0.007 0.000 0.216 258 A C 1.684 179.312 177.584 0.074 0.000 1.186 258 A CA 1.680 53.762 52.037 0.075 0.000 0.620 258 A CB -0.441 18.609 19.000 0.083 0.000 0.822 258 A HN 0.190 nan 8.150 nan 0.000 0.443 259 D N -0.328 120.114 120.400 0.070 0.000 2.103 259 D HA -0.177 4.467 4.640 0.007 0.000 0.190 259 D C 1.843 178.204 176.300 0.101 0.000 0.997 259 D CA 1.650 55.696 54.000 0.078 0.000 0.833 259 D CB -0.506 40.328 40.800 0.056 0.000 0.961 259 D HN 0.300 nan 8.370 nan 0.000 0.447 260 L N 0.871 122.141 121.223 0.078 0.000 2.127 260 L HA -0.123 4.222 4.340 0.007 0.000 0.211 260 L C 2.121 179.074 176.870 0.138 0.000 1.089 260 L CA 1.620 56.521 54.840 0.102 0.000 0.757 260 L CB -0.738 41.354 42.059 0.055 0.000 0.899 260 L HN -0.032 nan 8.230 nan 0.000 0.434 261 A N -0.880 121.997 122.820 0.096 0.000 1.897 261 A HA -0.199 4.126 4.320 0.007 0.000 0.215 261 A C 2.429 180.054 177.584 0.069 0.000 1.181 261 A CA 1.576 53.660 52.037 0.078 0.000 0.620 261 A CB -0.518 18.521 19.000 0.064 0.000 0.821 261 A HN 0.458 nan 8.150 nan 0.000 0.443 262 K N -1.423 119.025 120.400 0.079 0.000 2.009 262 K HA -0.242 4.083 4.320 0.007 0.000 0.210 262 K C 1.948 178.576 176.600 0.047 0.000 1.049 262 K CA 1.979 58.302 56.287 0.060 0.000 0.929 262 K CB -0.507 32.038 32.500 0.076 0.000 0.714 262 K HN 0.465 nan 8.250 nan 0.000 0.440 263 Y N 1.725 122.024 120.300 -0.001 0.000 2.014 263 Y HA -0.293 4.261 4.550 0.007 0.000 0.272 263 Y C 2.020 177.901 175.900 -0.031 0.000 1.164 263 Y CA 2.213 60.306 58.100 -0.012 0.000 1.114 263 Y CB -0.488 37.967 38.460 -0.008 0.000 0.961 263 Y HN 0.080 nan 8.280 nan 0.000 0.489 264 I N -0.743 119.841 120.570 0.023 0.000 2.185 264 I HA -0.468 3.707 4.170 0.007 0.000 0.246 264 I C 2.566 178.568 176.117 -0.192 0.000 1.088 264 I CA 1.622 62.860 61.300 -0.104 0.000 1.347 264 I CB -0.681 37.320 38.000 0.001 0.000 1.041 264 I HN 0.440 nan 8.210 nan 0.000 0.415 265 c N 0.588 119.117 118.600 -0.119 0.000 2.432 265 c HA -0.139 4.436 4.570 0.007 0.000 0.277 265 c C 2.625 176.629 174.090 -0.143 0.000 1.249 265 c CA 0.767 57.032 56.329 -0.106 0.000 1.725 265 c CB -1.065 41.414 42.510 -0.051 0.000 2.028 265 c HN 0.502 nan 8.230 nan 0.000 0.477 266 E N 0.797 120.895 120.200 -0.169 0.000 2.118 266 E HA -0.164 4.191 4.350 0.007 0.000 0.195 266 E C 1.064 177.529 176.600 -0.224 0.000 0.992 266 E CA 1.026 57.322 56.400 -0.174 0.000 0.804 266 E CB -0.315 29.280 29.700 -0.174 0.000 0.741 266 E HN 0.721 nan 8.360 nan 0.000 0.458 267 N N 1.240 119.729 118.700 -0.352 0.000 2.279 267 N HA -0.028 4.716 4.740 0.007 0.000 0.226 267 N C 1.330 176.691 175.510 -0.249 0.000 1.126 267 N CA 0.008 52.861 53.050 -0.329 0.000 0.846 267 N CB 0.481 38.657 38.487 -0.519 0.000 1.050 267 N HN 0.317 nan 8.380 nan 0.000 0.502 268 Q N 0.773 120.448 119.800 -0.208 0.000 2.297 268 Q HA -0.147 4.198 4.340 0.007 0.000 0.208 268 Q C 0.625 176.538 176.000 -0.145 0.000 0.981 268 Q CA 1.373 57.067 55.803 -0.182 0.000 0.876 268 Q CB -0.055 28.601 28.738 -0.137 0.000 0.921 268 Q HN 0.181 nan 8.270 nan 0.000 0.446 269 D N 1.371 121.701 120.400 -0.116 0.000 2.178 269 D HA -0.103 4.542 4.640 0.007 0.000 0.202 269 D C 1.346 177.601 176.300 -0.075 0.000 0.974 269 D CA 1.638 55.589 54.000 -0.081 0.000 0.841 269 D CB 0.029 40.791 40.800 -0.064 0.000 0.953 269 D HN 0.482 nan 8.370 nan 0.000 0.478 270 S N -0.599 115.047 115.700 -0.091 0.000 2.573 270 S HA 0.267 4.742 4.470 0.007 0.000 0.244 270 S C 1.276 175.826 174.600 -0.084 0.000 0.984 270 S CA -0.399 57.762 58.200 -0.065 0.000 1.001 270 S CB -0.131 63.040 63.200 -0.049 0.000 0.788 270 S HN 0.182 nan 8.310 nan 0.000 0.456 271 I N -0.472 120.011 120.570 -0.145 0.000 4.193 271 I HA 0.322 4.497 4.170 0.007 0.000 0.287 271 I C 0.508 176.467 176.117 -0.264 0.000 1.175 271 I CA 0.020 61.165 61.300 -0.257 0.000 1.320 271 I CB 0.939 38.676 38.000 -0.439 0.000 1.523 271 I HN 0.378 nan 8.210 nan 0.000 0.450 272 S N -0.460 115.121 115.700 -0.200 0.000 2.586 272 S HA 0.190 4.665 4.470 0.007 0.000 0.277 272 S C 0.350 174.922 174.600 -0.047 0.000 1.131 272 S CA 0.065 58.222 58.200 -0.071 0.000 0.848 272 S CB 1.249 64.433 63.200 -0.027 0.000 1.091 272 S HN 0.234 nan 8.310 nan 0.000 0.453 273 S N 2.436 118.135 115.700 -0.003 0.000 2.458 273 S HA 0.140 4.615 4.470 0.007 0.000 0.223 273 S C 1.077 175.679 174.600 0.004 0.000 1.019 273 S CA -0.024 58.172 58.200 -0.007 0.000 0.937 273 S CB -0.236 62.964 63.200 -0.000 0.000 0.788 273 S HN 0.632 nan 8.310 nan 0.000 0.511 274 K N 1.483 121.899 120.400 0.027 0.000 2.574 274 K HA 0.232 4.556 4.320 0.007 0.000 0.193 274 K C 1.291 177.910 176.600 0.032 0.000 1.035 274 K CA 0.231 56.540 56.287 0.036 0.000 0.982 274 K CB -0.480 32.055 32.500 0.058 0.000 0.795 274 K HN 0.485 nan 8.250 nan 0.000 0.491 275 L N 0.395 121.624 121.223 0.010 0.000 2.446 275 L HA -0.053 4.291 4.340 0.007 0.000 0.219 275 L C 2.742 179.608 176.870 -0.006 0.000 1.116 275 L CA 0.586 55.425 54.840 -0.001 0.000 0.844 275 L CB -0.689 41.342 42.059 -0.046 0.000 0.970 275 L HN 0.085 nan 8.230 nan 0.000 0.457 276 K N 1.194 121.589 120.400 -0.009 0.000 2.030 276 K HA -0.331 3.993 4.320 0.007 0.000 0.222 276 K C 1.874 178.476 176.600 0.003 0.000 1.056 276 K CA 2.425 58.708 56.287 -0.007 0.000 0.957 276 K CB -1.326 31.171 32.500 -0.005 0.000 0.727 276 K HN 0.542 nan 8.250 nan 0.000 0.452 277 E N -0.382 119.825 120.200 0.011 0.000 2.048 277 E HA -0.254 4.100 4.350 0.007 0.000 0.202 277 E C 2.221 178.835 176.600 0.024 0.000 1.021 277 E CA 2.014 58.425 56.400 0.019 0.000 0.825 277 E CB -0.521 29.194 29.700 0.024 0.000 0.756 277 E HN 0.625 nan 8.360 nan 0.000 0.454 278 c N 0.317 118.932 118.600 0.025 0.000 2.413 278 c HA -0.155 4.420 4.570 0.007 0.000 0.277 278 c C 2.841 176.946 174.090 0.025 0.000 1.265 278 c CA 0.775 57.122 56.329 0.030 0.000 1.752 278 c CB -0.980 41.547 42.510 0.029 0.000 1.998 278 c HN 0.658 nan 8.230 nan 0.000 0.489 279 c N 0.356 118.963 118.600 0.012 0.000 2.522 279 c HA -0.008 4.566 4.570 0.007 0.000 0.271 279 c C 2.310 176.406 174.090 0.010 0.000 1.425 279 c CA 0.572 56.904 56.329 0.005 0.000 1.751 279 c CB -1.596 40.905 42.510 -0.014 0.000 1.775 279 c HN 0.641 nan 8.230 nan 0.000 0.557 280 E N 0.586 120.795 120.200 0.015 0.000 2.102 280 E HA -0.006 4.349 4.350 0.007 0.000 0.190 280 E C 0.746 177.361 176.600 0.025 0.000 0.971 280 E CA 0.280 56.690 56.400 0.016 0.000 0.821 280 E CB 0.097 29.806 29.700 0.016 0.000 0.777 280 E HN 0.591 nan 8.360 nan 0.000 0.460 281 K N 1.773 122.193 120.400 0.034 0.000 2.505 281 K HA -0.042 4.282 4.320 0.007 0.000 0.272 281 K C -2.348 174.277 176.600 0.041 0.000 0.963 281 K CA -0.495 55.818 56.287 0.044 0.000 0.932 281 K CB -0.542 31.994 32.500 0.061 0.000 0.924 281 K HN -0.055 nan 8.250 nan 0.000 0.520 282 P HA -0.071 nan 4.420 nan 0.000 0.272 282 P C 1.071 178.397 177.300 0.043 0.000 1.223 282 P CA -0.394 62.728 63.100 0.036 0.000 0.784 282 P CB 0.422 32.142 31.700 0.034 0.000 0.923 283 L N 2.940 124.182 121.223 0.032 0.000 2.030 283 L HA -0.217 4.127 4.340 0.007 0.000 0.222 283 L C 1.603 178.505 176.870 0.054 0.000 1.082 283 L CA 2.406 57.269 54.840 0.038 0.000 0.785 283 L CB -1.476 40.595 42.059 0.020 0.000 0.895 283 L HN 0.350 nan 8.230 nan 0.000 0.439 284 L N 0.065 121.318 121.223 0.049 0.000 2.265 284 L HA -0.134 4.210 4.340 0.007 0.000 0.215 284 L C 2.310 179.234 176.870 0.091 0.000 1.117 284 L CA 1.585 56.462 54.840 0.062 0.000 0.782 284 L CB -0.435 41.650 42.059 0.043 0.000 0.914 284 L HN 0.389 nan 8.230 nan 0.000 0.441 285 E N -1.734 118.522 120.200 0.094 0.000 2.473 285 E HA -0.029 4.325 4.350 0.007 0.000 0.204 285 E C 1.669 178.337 176.600 0.113 0.000 0.994 285 E CA -0.182 56.291 56.400 0.121 0.000 0.945 285 E CB 0.366 30.145 29.700 0.132 0.000 0.990 285 E HN 0.443 nan 8.360 nan 0.000 0.493 286 K N 0.950 121.403 120.400 0.087 0.000 1.977 286 K HA -0.149 4.175 4.320 0.007 0.000 0.218 286 K C 2.268 178.910 176.600 0.070 0.000 1.051 286 K CA 1.655 57.984 56.287 0.070 0.000 0.953 286 K CB -0.204 32.332 32.500 0.059 0.000 0.727 286 K HN -0.078 nan 8.250 nan 0.000 0.445 287 S N 0.257 116.006 115.700 0.081 0.000 2.389 287 S HA -0.281 4.193 4.470 0.007 0.000 0.229 287 S C 1.885 176.512 174.600 0.044 0.000 1.048 287 S CA 1.999 60.240 58.200 0.068 0.000 1.117 287 S CB -0.693 62.559 63.200 0.087 0.000 1.020 287 S HN 0.409 nan 8.310 nan 0.000 0.430 288 H N 0.201 119.255 119.070 -0.028 0.000 2.321 288 H HA -0.173 4.387 4.556 0.008 0.000 0.295 288 H C 2.531 177.793 175.328 -0.110 0.000 1.102 288 H CA 1.951 57.927 56.048 -0.121 0.000 1.266 288 H CB -0.911 28.695 29.762 -0.259 0.000 1.363 288 H HN 0.456 nan 8.280 nan 0.000 0.492 289 c N -0.190 118.371 118.600 -0.065 0.000 2.442 289 c HA -0.129 4.446 4.570 0.007 0.000 0.279 289 c C 2.906 176.957 174.090 -0.066 0.000 1.237 289 c CA 1.237 57.526 56.329 -0.067 0.000 1.722 289 c CB -1.360 41.168 42.510 0.031 0.000 2.056 289 c HN 0.689 nan 8.230 nan 0.000 0.469 290 I N 1.488 122.053 120.570 -0.008 0.000 2.163 290 I HA -0.226 3.948 4.170 0.007 0.000 0.243 290 I C 2.801 178.941 176.117 0.038 0.000 1.085 290 I CA 1.833 63.158 61.300 0.043 0.000 1.347 290 I CB -0.718 37.323 38.000 0.068 0.000 1.044 290 I HN 0.435 nan 8.210 nan 0.000 0.408 291 A N -0.028 122.781 122.820 -0.019 0.000 2.076 291 A HA -0.207 4.117 4.320 0.007 0.000 0.220 291 A C 2.054 179.592 177.584 -0.077 0.000 1.160 291 A CA 1.732 53.751 52.037 -0.029 0.000 0.653 291 A CB -0.461 18.505 19.000 -0.058 0.000 0.801 291 A HN 0.551 nan 8.150 nan 0.000 0.455 292 E N -1.087 119.032 120.200 -0.134 0.000 2.511 292 E HA 0.163 4.517 4.350 0.007 0.000 0.209 292 E C 0.006 176.562 176.600 -0.073 0.000 0.986 292 E CA -0.346 55.975 56.400 -0.133 0.000 0.974 292 E CB 0.517 30.087 29.700 -0.217 0.000 1.030 292 E HN 0.274 nan 8.360 nan 0.000 0.490 293 V N 2.855 122.752 119.914 -0.028 0.000 2.726 293 V HA -0.131 3.994 4.120 0.007 0.000 0.304 293 V C 0.380 176.473 176.094 -0.002 0.000 1.115 293 V CA 0.727 63.037 62.300 0.016 0.000 1.264 293 V CB 0.805 32.686 31.823 0.096 0.000 0.867 293 V HN 0.196 nan 8.190 nan 0.000 0.498 294 E N 6.197 126.399 120.200 0.003 0.000 2.436 294 E HA -0.013 4.341 4.350 0.007 0.000 0.262 294 E C 0.245 176.836 176.600 -0.014 0.000 1.063 294 E CA -0.254 56.140 56.400 -0.010 0.000 0.944 294 E CB 0.427 30.130 29.700 0.004 0.000 0.950 294 E HN 0.894 nan 8.360 nan 0.000 0.444 295 N N 3.083 121.754 118.700 -0.047 0.000 2.458 295 N HA 0.056 4.801 4.740 0.007 0.000 0.258 295 N C -0.326 175.176 175.510 -0.012 0.000 1.219 295 N CA 0.047 53.059 53.050 -0.064 0.000 0.902 295 N CB 0.486 38.917 38.487 -0.094 0.000 1.076 295 N HN 0.596 nan 8.380 nan 0.000 0.455 296 D N 0.870 121.286 120.400 0.027 0.000 2.360 296 D HA 0.050 4.694 4.640 0.007 0.000 0.242 296 D C -0.397 175.904 176.300 0.001 0.000 1.184 296 D CA -0.062 53.965 54.000 0.044 0.000 0.930 296 D CB 0.697 41.558 40.800 0.102 0.000 1.161 296 D HN 0.246 nan 8.370 nan 0.000 0.447 297 E N 0.607 120.805 120.200 -0.002 0.000 2.376 297 E HA 0.151 4.506 4.350 0.007 0.000 0.266 297 E C -0.164 176.417 176.600 -0.031 0.000 1.009 297 E CA 0.063 56.449 56.400 -0.023 0.000 0.902 297 E CB 0.443 30.132 29.700 -0.018 0.000 0.972 297 E HN 0.344 nan 8.360 nan 0.000 0.439 298 M N 1.844 121.408 119.600 -0.060 0.000 2.235 298 M HA 0.510 4.995 4.480 0.007 0.000 0.351 298 M C -2.077 174.183 176.300 -0.066 0.000 1.178 298 M CA -1.956 53.299 55.300 -0.076 0.000 1.143 298 M CB 0.448 32.971 32.600 -0.128 0.000 1.530 298 M HN 0.078 nan 8.290 nan 0.000 0.461 299 P HA 0.018 nan 4.420 nan 0.000 0.264 299 P C -0.135 177.132 177.300 -0.055 0.000 1.179 299 P CA 0.240 63.315 63.100 -0.042 0.000 0.763 299 P CB 0.647 32.328 31.700 -0.031 0.000 0.806 300 A N 1.941 124.736 122.820 -0.041 0.000 1.943 300 A HA 0.106 4.430 4.320 0.007 0.000 0.213 300 A C 1.491 179.052 177.584 -0.039 0.000 1.181 300 A CA 1.325 53.336 52.037 -0.043 0.000 0.653 300 A CB -1.251 17.730 19.000 -0.032 0.000 0.833 300 A HN 0.586 nan 8.150 nan 0.000 0.451 301 D N 0.352 120.735 120.400 -0.028 0.000 2.688 301 D HA 0.531 5.176 4.640 0.007 0.000 0.228 301 D C -0.321 175.965 176.300 -0.023 0.000 1.116 301 D CA -0.056 53.931 54.000 -0.021 0.000 1.023 301 D CB -0.685 40.108 40.800 -0.011 0.000 1.100 301 D HN 0.347 nan 8.370 nan 0.000 0.487 302 L N 1.092 122.291 121.223 -0.039 0.000 2.298 302 L HA 0.421 4.766 4.340 0.007 0.000 0.284 302 L C -1.920 174.927 176.870 -0.039 0.000 1.013 302 L CA -1.667 53.145 54.840 -0.046 0.000 0.824 302 L CB 1.911 43.920 42.059 -0.083 0.000 1.221 302 L HN 0.245 nan 8.230 nan 0.000 0.418 303 P HA 0.003 nan 4.420 nan 0.000 0.270 303 P C -0.337 176.963 177.300 0.001 0.000 1.227 303 P CA -0.163 62.936 63.100 -0.000 0.000 0.788 303 P CB 0.542 32.253 31.700 0.019 0.000 0.926 304 S N 0.610 116.321 115.700 0.018 0.000 2.565 304 S HA 0.095 4.569 4.470 0.007 0.000 0.276 304 S C 1.394 176.053 174.600 0.098 0.000 1.326 304 S CA -0.710 57.513 58.200 0.038 0.000 1.045 304 S CB -0.101 63.121 63.200 0.037 0.000 0.918 304 S HN 0.272 nan 8.310 nan 0.000 0.505 305 L N 4.293 125.608 121.223 0.152 0.000 2.042 305 L HA -0.107 4.237 4.340 0.007 0.000 0.210 305 L C 2.890 180.015 176.870 0.424 0.000 1.076 305 L CA 2.299 57.339 54.840 0.333 0.000 0.749 305 L CB -2.291 39.941 42.059 0.288 0.000 0.893 305 L HN 0.925 nan 8.230 nan 0.000 0.432 306 A N -0.005 122.915 122.820 0.167 0.000 2.042 306 A HA -0.251 4.073 4.320 0.007 0.000 0.222 306 A C 2.545 180.133 177.584 0.006 0.000 1.167 306 A CA 1.917 53.862 52.037 -0.152 0.000 0.649 306 A CB -0.541 18.267 19.000 -0.320 0.000 0.809 306 A HN 0.457 nan 8.150 nan 0.000 0.457 307 A N 0.096 122.949 122.820 0.054 0.000 1.841 307 A HA -0.221 4.104 4.320 0.007 0.000 0.216 307 A C 1.713 179.296 177.584 -0.001 0.000 1.199 307 A CA 2.049 54.103 52.037 0.029 0.000 0.621 307 A CB -0.774 18.243 19.000 0.029 0.000 0.835 307 A HN 0.485 nan 8.150 nan 0.000 0.445 308 D N -2.192 118.166 120.400 -0.070 0.000 2.349 308 D HA 0.157 4.802 4.640 0.007 0.000 0.215 308 D C 0.640 176.590 176.300 -0.584 0.000 1.016 308 D CA 0.555 54.344 54.000 -0.351 0.000 0.870 308 D CB 0.057 40.518 40.800 -0.566 0.000 0.917 308 D HN 0.492 nan 8.370 nan 0.000 0.524 309 F N -1.324 118.739 119.950 0.189 0.000 2.767 309 F HA 0.226 4.758 4.527 0.008 0.000 0.323 309 F C 1.436 177.353 175.800 0.195 0.000 1.091 309 F CA -0.076 58.078 58.000 0.257 0.000 1.192 309 F CB 0.741 39.903 39.000 0.269 0.000 1.056 309 F HN -0.152 nan 8.300 nan 0.000 0.571 310 V N -1.583 118.457 119.914 0.211 0.000 3.141 310 V HA 0.057 4.182 4.120 0.007 0.000 0.225 310 V C 1.670 177.920 176.094 0.260 0.000 1.352 310 V CA 0.357 62.774 62.300 0.194 0.000 1.316 310 V CB 0.193 31.923 31.823 -0.155 0.000 1.126 310 V HN 0.002 nan 8.190 nan 0.000 0.493 311 E N 0.883 121.169 120.200 0.143 0.000 2.046 311 E HA -0.039 4.315 4.350 0.007 0.000 0.190 311 E C 1.279 178.001 176.600 0.203 0.000 0.982 311 E CA 1.003 57.508 56.400 0.176 0.000 0.800 311 E CB -0.043 29.701 29.700 0.074 0.000 0.756 311 E HN 0.399 nan 8.360 nan 0.000 0.449 312 S N 0.058 115.842 115.700 0.141 0.000 2.554 312 S HA -0.009 4.465 4.470 0.007 0.000 0.290 312 S C 0.791 175.494 174.600 0.172 0.000 1.309 312 S CA 0.798 59.063 58.200 0.109 0.000 1.047 312 S CB 0.819 64.055 63.200 0.061 0.000 0.828 312 S HN 0.273 nan 8.310 nan 0.000 0.509 313 K N 1.954 122.411 120.400 0.094 0.000 2.410 313 K HA 0.194 4.518 4.320 0.007 0.000 0.200 313 K C 0.440 177.089 176.600 0.081 0.000 1.023 313 K CA 0.442 56.783 56.287 0.089 0.000 1.149 313 K CB -0.126 nan 32.500 nan 0.000 0.859 313 K HN 0.776 nan 8.250 nan 0.000 0.514 314 D N -0.394 120.047 120.400 0.069 0.000 2.479 314 D HA 0.097 4.741 4.640 0.007 0.000 0.218 314 D C 1.323 177.607 176.300 -0.026 0.000 1.177 314 D CA 0.108 54.120 54.000 0.020 0.000 0.830 314 D CB 0.825 41.625 40.800 0.000 0.000 1.014 314 D HN 0.075 nan 8.370 nan 0.000 0.503 315 V N 0.762 120.692 119.914 0.025 0.000 2.215 315 V HA -0.361 3.763 4.120 0.007 0.000 0.249 315 V C 2.578 178.514 176.094 -0.262 0.000 1.054 315 V CA 1.852 64.099 62.300 -0.089 0.000 1.012 315 V CB -0.628 31.130 31.823 -0.108 0.000 0.639 315 V HN 0.356 nan 8.190 nan 0.000 0.448 316 c N -0.421 118.121 118.600 -0.097 0.000 2.403 316 c HA -0.193 4.382 4.570 0.007 0.000 0.277 316 c C 2.708 176.757 174.090 -0.068 0.000 1.248 316 c CA 1.400 57.713 56.329 -0.027 0.000 1.762 316 c CB -1.146 41.402 42.510 0.063 0.000 2.014 316 c HN 0.634 nan 8.230 nan 0.000 0.486 317 K N 1.344 121.696 120.400 -0.080 0.000 1.969 317 K HA -0.188 4.137 4.320 0.007 0.000 0.216 317 K C 1.768 178.274 176.600 -0.156 0.000 1.048 317 K CA 2.011 58.247 56.287 -0.085 0.000 0.948 317 K CB -0.566 31.901 32.500 -0.054 0.000 0.726 317 K HN 0.583 nan 8.250 nan 0.000 0.442 318 N N -0.767 117.799 118.700 -0.223 0.000 2.132 318 N HA -0.252 4.492 4.740 0.007 0.000 0.191 318 N C 1.858 177.102 175.510 -0.444 0.000 1.015 318 N CA 1.513 54.388 53.050 -0.293 0.000 0.864 318 N CB -0.235 38.062 38.487 -0.316 0.000 1.006 318 N HN 0.281 nan 8.380 nan 0.000 0.430 319 Y N 1.455 121.261 120.300 -0.824 0.000 2.153 319 Y HA -0.006 4.549 4.550 0.009 0.000 0.289 319 Y C 2.320 178.078 175.900 -0.236 0.000 1.127 319 Y CA 1.205 58.920 58.100 -0.642 0.000 1.131 319 Y CB -0.663 37.432 38.460 -0.608 0.000 0.995 319 Y HN 0.007 nan 8.280 nan 0.000 0.505 320 A N 0.107 122.732 122.820 -0.326 0.000 1.972 320 A HA -0.208 4.117 4.320 0.007 0.000 0.219 320 A C 2.203 179.654 177.584 -0.222 0.000 1.169 320 A CA 1.669 53.506 52.037 -0.334 0.000 0.635 320 A CB -0.913 17.982 19.000 -0.176 0.000 0.810 320 A HN 0.656 nan 8.150 nan 0.000 0.446 321 E N -0.481 119.626 120.200 -0.155 0.000 2.118 321 E HA -0.007 4.347 4.350 0.007 0.000 0.195 321 E C 0.409 176.971 176.600 -0.063 0.000 0.992 321 E CA 1.110 57.458 56.400 -0.086 0.000 0.804 321 E CB -0.105 29.562 29.700 -0.055 0.000 0.741 321 E HN 0.546 nan 8.360 nan 0.000 0.458 322 A N -0.023 122.757 122.820 -0.066 0.000 2.664 322 A HA 0.202 4.526 4.320 0.007 0.000 0.300 322 A C 0.147 177.747 177.584 0.028 0.000 1.210 322 A CA -0.624 51.411 52.037 -0.002 0.000 0.863 322 A CB 0.559 19.602 19.000 0.070 0.000 1.464 322 A HN 0.057 nan 8.150 nan 0.000 0.438 323 K N 0.413 120.744 120.400 -0.115 0.000 2.001 323 K HA -0.202 4.122 4.320 0.007 0.000 0.214 323 K C 0.820 177.565 176.600 0.242 0.000 1.050 323 K CA 2.147 58.368 56.287 -0.109 0.000 0.934 323 K CB 0.017 32.330 32.500 -0.312 0.000 0.718 323 K HN 0.664 nan 8.250 nan 0.000 0.443 324 D N 0.429 120.931 120.400 0.171 0.000 2.117 324 D HA -0.107 4.538 4.640 0.007 0.000 0.198 324 D C 2.034 178.491 176.300 0.262 0.000 0.982 324 D CA 0.834 54.961 54.000 0.212 0.000 0.828 324 D CB -0.264 40.628 40.800 0.153 0.000 0.967 324 D HN -0.052 nan 8.370 nan 0.000 0.464 325 V N 0.953 121.020 119.914 0.255 0.000 2.343 325 V HA -0.238 3.887 4.120 0.007 0.000 0.247 325 V C 2.153 178.414 176.094 0.278 0.000 1.051 325 V CA 1.208 63.685 62.300 0.294 0.000 1.036 325 V CB -0.549 31.428 31.823 0.258 0.000 0.654 325 V HN 0.062 nan 8.190 nan 0.000 0.451 326 F N 0.424 120.486 119.950 0.187 0.000 2.051 326 F HA -0.159 4.372 4.527 0.006 0.000 0.296 326 F C 2.145 178.133 175.800 0.313 0.000 1.122 326 F CA 1.661 59.805 58.000 0.240 0.000 1.201 326 F CB -0.454 38.750 39.000 0.339 0.000 0.978 326 F HN -0.014 nan 8.300 nan 0.000 0.472 327 L N -0.209 121.247 121.223 0.388 0.000 2.043 327 L HA -0.226 4.118 4.340 0.007 0.000 0.212 327 L C 2.733 179.744 176.870 0.235 0.000 1.075 327 L CA 1.445 56.458 54.840 0.289 0.000 0.752 327 L CB -1.632 40.605 42.059 0.296 0.000 0.891 327 L HN 0.380 nan 8.230 nan 0.000 0.432 328 G N -0.418 108.526 108.800 0.239 0.000 2.440 328 G HA2 -0.278 3.686 3.960 0.007 0.000 0.218 328 G HA3 -0.278 3.686 3.960 0.007 0.000 0.218 328 G C 1.619 176.653 174.900 0.223 0.000 1.154 328 G CA 0.754 46.030 45.100 0.293 0.000 0.767 328 G HN 0.231 nan 8.290 nan 0.000 0.552 329 M N -0.686 118.842 119.600 -0.121 0.000 2.175 329 M HA 0.072 4.556 4.480 0.007 0.000 0.264 329 M C 2.297 178.584 176.300 -0.022 0.000 1.063 329 M CA 0.919 56.014 55.300 -0.343 0.000 1.119 329 M CB -0.353 31.975 32.600 -0.454 0.000 1.377 329 M HN 0.256 nan 8.290 nan 0.000 0.415 330 F N 1.608 121.388 119.950 -0.282 0.000 2.046 330 F HA -0.233 4.297 4.527 0.005 0.000 0.297 330 F C 1.971 177.571 175.800 -0.333 0.000 1.123 330 F CA 1.694 59.304 58.000 -0.649 0.000 1.199 330 F CB -0.569 38.124 39.000 -0.511 0.000 0.972 330 F HN -0.053 nan 8.300 nan 0.000 0.474 331 L N -0.931 120.225 121.223 -0.111 0.000 2.013 331 L HA -0.300 4.044 4.340 0.007 0.000 0.212 331 L C 2.510 179.318 176.870 -0.104 0.000 1.073 331 L CA 2.027 56.773 54.840 -0.157 0.000 0.753 331 L CB -1.005 41.056 42.059 0.003 0.000 0.890 331 L HN 0.358 nan 8.230 nan 0.000 0.432 332 Y N 0.898 121.168 120.300 -0.050 0.000 2.081 332 Y HA -0.308 4.246 4.550 0.007 0.000 0.280 332 Y C 2.591 178.444 175.900 -0.077 0.000 1.163 332 Y CA 1.894 60.011 58.100 0.028 0.000 1.135 332 Y CB -0.178 38.453 38.460 0.285 0.000 0.970 332 Y HN 0.154 nan 8.280 nan 0.000 0.498 333 E N -0.694 119.371 120.200 -0.225 0.000 2.051 333 E HA -0.239 4.115 4.350 0.007 0.000 0.192 333 E C 2.126 178.467 176.600 -0.433 0.000 0.991 333 E CA 1.555 57.733 56.400 -0.371 0.000 0.799 333 E CB -0.939 28.657 29.700 -0.174 0.000 0.748 333 E HN 0.614 nan 8.360 nan 0.000 0.449 334 Y N 0.956 120.874 120.300 -0.636 0.000 2.314 334 Y HA -0.058 4.497 4.550 0.008 0.000 0.293 334 Y C 2.263 177.907 175.900 -0.427 0.000 1.129 334 Y CA 0.875 58.611 58.100 -0.607 0.000 1.201 334 Y CB -0.366 37.520 38.460 -0.957 0.000 0.999 334 Y HN 0.015 nan 8.280 nan 0.000 0.541 335 A N 0.857 123.557 122.820 -0.200 0.000 1.873 335 A HA -0.188 4.137 4.320 0.007 0.000 0.215 335 A C 2.233 179.674 177.584 -0.238 0.000 1.186 335 A CA 1.731 53.647 52.037 -0.202 0.000 0.616 335 A CB -0.639 18.232 19.000 -0.215 0.000 0.823 335 A HN 0.562 nan 8.150 nan 0.000 0.442 336 R N -0.847 119.461 120.500 -0.320 0.000 2.280 336 R HA 0.068 4.412 4.340 0.007 0.000 0.207 336 R C 1.500 177.609 176.300 -0.318 0.000 1.043 336 R CA 1.150 57.059 56.100 -0.318 0.000 1.006 336 R CB -0.240 29.821 30.300 -0.398 0.000 0.885 336 R HN 0.385 nan 8.270 nan 0.000 0.467 337 R N -0.130 120.150 120.500 -0.367 0.000 2.312 337 R HA 0.157 4.502 4.340 0.007 0.000 0.205 337 R C -0.125 175.711 176.300 -0.774 0.000 0.904 337 R CA 0.194 55.994 56.100 -0.499 0.000 1.052 337 R CB 0.463 30.452 30.300 -0.519 0.000 1.014 337 R HN 0.304 nan 8.270 nan 0.000 0.503 338 H N -0.496 118.346 119.070 -0.380 0.000 2.488 338 H HA 0.184 4.746 4.556 0.010 0.000 0.237 338 H C -2.220 172.919 175.328 -0.314 0.000 1.395 338 H CA -1.853 53.905 56.048 -0.483 0.000 1.491 338 H CB 1.710 30.870 29.762 -1.002 0.000 1.567 338 H HN -0.057 nan 8.280 nan 0.000 0.508 339 P HA -0.081 nan 4.420 nan 0.000 0.233 339 P C 1.147 178.417 177.300 -0.050 0.000 1.167 339 P CA 0.748 63.776 63.100 -0.119 0.000 0.770 339 P CB 0.369 31.996 31.700 -0.122 0.000 0.837 340 D N -2.730 117.669 120.400 -0.002 0.000 2.349 340 D HA -0.087 4.557 4.640 0.007 0.000 0.224 340 D C 0.189 176.644 176.300 0.257 0.000 1.029 340 D CA 0.285 54.344 54.000 0.100 0.000 0.879 340 D CB -0.547 40.328 40.800 0.126 0.000 0.906 340 D HN 0.105 nan 8.370 nan 0.000 0.528 341 Y N 1.710 121.986 120.300 -0.040 0.000 2.376 341 Y HA 0.345 4.902 4.550 0.011 0.000 0.325 341 Y C 1.064 176.886 175.900 -0.130 0.000 1.199 341 Y CA -2.460 55.579 58.100 -0.101 0.000 1.206 341 Y CB 1.381 39.750 38.460 -0.151 0.000 1.229 341 Y HN -0.139 nan 8.280 nan 0.000 0.480 342 S N 0.010 115.701 115.700 -0.016 0.000 2.584 342 S HA 0.249 4.724 4.470 0.007 0.000 0.273 342 S C 0.931 175.470 174.600 -0.102 0.000 1.311 342 S CA -0.747 57.412 58.200 -0.068 0.000 1.034 342 S CB 1.104 64.255 63.200 -0.082 0.000 0.939 342 S HN 0.420 nan 8.310 nan 0.000 0.513 343 V N 2.934 122.765 119.914 -0.139 0.000 2.282 343 V HA -0.173 3.951 4.120 0.007 0.000 0.249 343 V C 2.505 178.502 176.094 -0.161 0.000 1.057 343 V CA 2.017 64.177 62.300 -0.233 0.000 1.032 343 V CB -0.964 30.613 31.823 -0.410 0.000 0.645 343 V HN 0.844 nan 8.190 nan 0.000 0.447 344 V N -0.208 119.663 119.914 -0.072 0.000 2.490 344 V HA -0.206 3.919 4.120 0.007 0.000 0.250 344 V C 2.260 178.275 176.094 -0.131 0.000 1.061 344 V CA 2.333 64.598 62.300 -0.059 0.000 1.064 344 V CB -0.091 31.724 31.823 -0.014 0.000 0.670 344 V HN 0.544 nan 8.190 nan 0.000 0.461 345 L N -0.301 120.819 121.223 -0.171 0.000 2.056 345 L HA -0.052 4.293 4.340 0.007 0.000 0.207 345 L C 2.165 178.849 176.870 -0.309 0.000 1.078 345 L CA 2.035 56.720 54.840 -0.258 0.000 0.749 345 L CB -0.524 41.325 42.059 -0.349 0.000 0.901 345 L HN 0.309 nan 8.230 nan 0.000 0.433 346 L N -1.131 119.934 121.223 -0.264 0.000 2.083 346 L HA -0.225 4.120 4.340 0.007 0.000 0.209 346 L C 2.477 179.164 176.870 -0.304 0.000 1.083 346 L CA 1.164 55.803 54.840 -0.335 0.000 0.752 346 L CB -0.499 41.399 42.059 -0.269 0.000 0.899 346 L HN 0.320 nan 8.230 nan 0.000 0.433 347 L N -0.795 120.302 121.223 -0.211 0.000 2.046 347 L HA -0.200 4.145 4.340 0.007 0.000 0.208 347 L C 2.823 179.600 176.870 -0.155 0.000 1.077 347 L CA 1.244 55.996 54.840 -0.147 0.000 0.747 347 L CB -0.530 41.473 42.059 -0.094 0.000 0.896 347 L HN 0.217 nan 8.230 nan 0.000 0.432 348 R N 0.056 120.443 120.500 -0.188 0.000 2.091 348 R HA -0.157 4.187 4.340 0.007 0.000 0.238 348 R C 2.249 178.409 176.300 -0.232 0.000 1.136 348 R CA 1.232 57.223 56.100 -0.182 0.000 0.959 348 R CB -0.507 29.680 30.300 -0.189 0.000 0.856 348 R HN 0.349 nan 8.270 nan 0.000 0.437 349 L N 0.242 121.224 121.223 -0.402 0.000 1.961 349 L HA -0.141 4.204 4.340 0.007 0.000 0.210 349 L C 2.815 179.530 176.870 -0.258 0.000 1.072 349 L CA 1.362 55.812 54.840 -0.649 0.000 0.749 349 L CB -0.932 40.419 42.059 -1.180 0.000 0.889 349 L HN 0.214 nan 8.230 nan 0.000 0.432 350 A N 0.447 123.218 122.820 -0.082 0.000 1.903 350 A HA -0.325 3.999 4.320 0.007 0.000 0.219 350 A C 2.306 179.928 177.584 0.064 0.000 1.191 350 A CA 2.508 54.643 52.037 0.162 0.000 0.638 350 A CB -0.585 18.498 19.000 0.138 0.000 0.823 350 A HN 0.300 nan 8.150 nan 0.000 0.451 351 K N -0.596 119.800 120.400 -0.007 0.000 2.009 351 K HA -0.114 4.210 4.320 0.007 0.000 0.210 351 K C 2.045 178.652 176.600 0.012 0.000 1.049 351 K CA 2.454 58.737 56.287 -0.006 0.000 0.929 351 K CB -1.269 31.207 32.500 -0.039 0.000 0.714 351 K HN 0.397 nan 8.250 nan 0.000 0.440 352 T N 0.289 114.855 114.554 0.019 0.000 2.665 352 T HA -0.195 4.159 4.350 0.007 0.000 0.268 352 T C 1.451 176.246 174.700 0.157 0.000 1.035 352 T CA 1.768 63.923 62.100 0.092 0.000 1.151 352 T CB -0.641 68.315 68.868 0.147 0.000 0.862 352 T HN 0.315 nan 8.240 nan 0.000 0.438 353 Y N 1.964 122.273 120.300 0.015 0.000 2.081 353 Y HA -0.208 4.344 4.550 0.003 0.000 0.280 353 Y C 2.524 178.318 175.900 -0.177 0.000 1.163 353 Y CA 1.956 59.990 58.100 -0.111 0.000 1.135 353 Y CB -0.648 37.491 38.460 -0.535 0.000 0.970 353 Y HN 0.380 nan 8.280 nan 0.000 0.498 354 E N -1.049 119.050 120.200 -0.168 0.000 2.070 354 E HA -0.231 4.123 4.350 0.007 0.000 0.197 354 E C 1.986 178.500 176.600 -0.142 0.000 1.004 354 E CA 2.256 58.533 56.400 -0.205 0.000 0.805 354 E CB -0.298 29.386 29.700 -0.026 0.000 0.744 354 E HN 0.495 nan 8.360 nan 0.000 0.451 355 T N 0.254 114.773 114.554 -0.058 0.000 2.665 355 T HA -0.178 4.176 4.350 0.007 0.000 0.268 355 T C 1.899 176.570 174.700 -0.049 0.000 1.035 355 T CA 1.946 64.031 62.100 -0.026 0.000 1.151 355 T CB -0.657 68.212 68.868 0.003 0.000 0.862 355 T HN 0.287 nan 8.240 nan 0.000 0.438 356 T N 2.572 117.087 114.554 -0.064 0.000 2.622 356 T HA -0.036 4.318 4.350 0.007 0.000 0.266 356 T C 1.994 176.615 174.700 -0.132 0.000 1.047 356 T CA 1.064 63.128 62.100 -0.060 0.000 1.159 356 T CB -0.622 68.237 68.868 -0.015 0.000 0.863 356 T HN 0.235 nan 8.240 nan 0.000 0.422 357 L N 0.890 121.905 121.223 -0.346 0.000 2.081 357 L HA -0.153 4.191 4.340 0.007 0.000 0.212 357 L C 2.893 179.687 176.870 -0.126 0.000 1.080 357 L CA 1.308 55.896 54.840 -0.420 0.000 0.754 357 L CB -0.613 40.852 42.059 -0.990 0.000 0.893 357 L HN 0.263 nan 8.230 nan 0.000 0.433 358 E N 0.029 120.200 120.200 -0.048 0.000 2.077 358 E HA -0.150 4.204 4.350 0.007 0.000 0.193 358 E C 2.318 178.940 176.600 0.038 0.000 0.989 358 E CA 1.033 57.468 56.400 0.059 0.000 0.800 358 E CB 0.004 29.738 29.700 0.055 0.000 0.746 358 E HN 0.376 nan 8.360 nan 0.000 0.452 359 K N 0.190 120.600 120.400 0.016 0.000 1.995 359 K HA -0.033 4.292 4.320 0.007 0.000 0.207 359 K C 2.486 179.108 176.600 0.037 0.000 1.041 359 K CA 1.045 57.347 56.287 0.024 0.000 0.942 359 K CB -1.196 31.316 32.500 0.019 0.000 0.731 359 K HN 0.292 nan 8.250 nan 0.000 0.439 360 c N 0.623 119.251 118.600 0.048 0.000 2.391 360 c HA -0.188 4.386 4.570 0.007 0.000 0.276 360 c C 2.824 176.980 174.090 0.110 0.000 1.217 360 c CA 0.776 57.161 56.329 0.093 0.000 1.766 360 c CB -1.305 41.316 42.510 0.186 0.000 2.046 360 c HN 0.658 nan 8.230 nan 0.000 0.475 361 c N 0.813 119.471 118.600 0.097 0.000 2.485 361 c HA 0.230 4.804 4.570 0.007 0.000 0.283 361 c C 1.849 175.982 174.090 0.071 0.000 1.478 361 c CA 0.728 57.119 56.329 0.103 0.000 1.741 361 c CB -2.031 40.547 42.510 0.114 0.000 1.675 361 c HN 0.683 nan 8.230 nan 0.000 0.573 362 A N -0.133 122.720 122.820 0.056 0.000 2.985 362 A HA 0.748 5.072 4.320 0.007 0.000 0.303 362 A C 0.158 177.760 177.584 0.030 0.000 1.048 362 A CA 0.278 52.338 52.037 0.037 0.000 1.016 362 A CB -0.217 18.801 19.000 0.031 0.000 1.118 362 A HN 0.455 nan 8.150 nan 0.000 0.529 363 A N -0.846 121.994 122.820 0.033 0.000 2.539 363 A HA 0.773 5.098 4.320 0.007 0.000 0.296 363 A C 1.101 178.695 177.584 0.016 0.000 1.073 363 A CA 0.071 52.120 52.037 0.021 0.000 0.700 363 A CB 0.376 19.388 19.000 0.020 0.000 1.296 363 A HN 1.628 nan 8.150 nan 0.000 0.405 364 A N 1.072 123.897 122.820 0.008 0.000 1.861 364 A HA -0.206 4.118 4.320 0.007 0.000 0.248 364 A C 0.741 178.328 177.584 0.004 0.000 2.075 364 A CA 2.616 54.655 52.037 0.003 0.000 0.818 364 A CB -0.880 18.118 19.000 -0.002 0.000 0.844 364 A HN 1.438 nan 8.150 nan 0.000 0.498 365 D N -2.797 117.602 120.400 -0.003 0.000 2.473 365 D HA 0.461 5.105 4.640 0.007 0.000 0.253 365 D C -2.467 173.818 176.300 -0.024 0.000 1.233 365 D CA -1.762 52.235 54.000 -0.004 0.000 0.908 365 D CB 1.350 42.145 40.800 -0.009 0.000 1.170 365 D HN 0.037 nan 8.370 nan 0.000 0.558 366 P HA -0.262 nan 4.420 nan 0.000 0.209 366 P C 1.293 178.346 177.300 -0.411 0.000 1.167 366 P CA 1.869 64.974 63.100 0.007 0.000 0.941 366 P CB -0.153 31.680 31.700 0.223 0.000 0.787 367 H N -0.790 117.914 119.070 -0.610 0.000 2.450 367 H HA -0.243 4.320 4.556 0.010 0.000 0.291 367 H C 1.879 176.810 175.328 -0.660 0.000 1.128 367 H CA 2.293 57.796 56.048 -0.907 0.000 1.203 367 H CB -0.308 29.242 29.762 -0.353 0.000 1.356 367 H HN 0.061 nan 8.280 nan 0.000 0.503 368 E N -0.671 119.319 120.200 -0.351 0.000 2.076 368 E HA -0.087 4.267 4.350 0.007 0.000 0.190 368 E C 2.461 178.911 176.600 -0.251 0.000 0.979 368 E CA 0.960 57.219 56.400 -0.235 0.000 0.807 368 E CB -0.720 28.931 29.700 -0.082 0.000 0.761 368 E HN 0.554 nan 8.360 nan 0.000 0.454 369 c N 0.375 118.842 118.600 -0.222 0.000 2.457 369 c HA -0.064 4.510 4.570 0.007 0.000 0.278 369 c C 2.296 176.357 174.090 -0.049 0.000 1.309 369 c CA 1.080 57.348 56.329 -0.101 0.000 1.735 369 c CB -1.111 41.384 42.510 -0.025 0.000 1.992 369 c HN 0.639 nan 8.230 nan 0.000 0.493 370 Y N 0.022 120.271 120.300 -0.084 0.000 2.467 370 Y HA 0.616 5.168 4.550 0.004 0.000 0.250 370 Y C 1.822 177.653 175.900 -0.114 0.000 1.155 370 Y CA 0.052 58.109 58.100 -0.072 0.000 1.249 370 Y CB -1.364 37.069 38.460 -0.045 0.000 1.146 370 Y HN 0.118 nan 8.280 nan 0.000 0.524 371 A N 1.630 124.294 122.820 -0.260 0.000 2.032 371 A HA -0.066 4.258 4.320 0.007 0.000 0.221 371 A C 1.986 179.498 177.584 -0.119 0.000 1.165 371 A CA 2.061 53.925 52.037 -0.288 0.000 0.645 371 A CB -0.872 17.841 19.000 -0.478 0.000 0.807 371 A HN 0.491 nan 8.150 nan 0.000 0.453 372 K N -0.541 119.822 120.400 -0.061 0.000 2.699 372 K HA 0.609 4.933 4.320 0.007 0.000 0.210 372 K C 1.129 177.724 176.600 -0.008 0.000 1.076 372 K CA 0.462 56.727 56.287 -0.038 0.000 1.109 372 K CB -0.808 31.672 32.500 -0.034 0.000 0.862 372 K HN 0.328 nan 8.250 nan 0.000 0.470 373 V N -0.268 119.662 119.914 0.025 0.000 2.358 373 V HA -0.113 4.011 4.120 0.007 0.000 0.246 373 V C 1.865 177.791 176.094 -0.280 0.000 1.047 373 V CA 1.799 64.090 62.300 -0.016 0.000 1.035 373 V CB -0.683 31.210 31.823 0.117 0.000 0.658 373 V HN 0.652 nan 8.190 nan 0.000 0.452 374 F N 0.889 120.476 119.950 -0.606 0.000 2.287 374 F HA -0.176 4.354 4.527 0.005 0.000 0.301 374 F C 2.305 177.872 175.800 -0.387 0.000 1.069 374 F CA 1.563 59.077 58.000 -0.811 0.000 1.372 374 F CB -0.793 38.034 39.000 -0.288 0.000 1.056 374 F HN 0.350 nan 8.300 nan 0.000 0.523 375 D N -0.438 119.946 120.400 -0.026 0.000 2.224 375 D HA -0.136 4.508 4.640 0.007 0.000 0.205 375 D C 1.940 178.263 176.300 0.039 0.000 0.965 375 D CA 0.819 54.836 54.000 0.029 0.000 0.852 375 D CB -0.141 40.674 40.800 0.025 0.000 0.947 375 D HN 0.380 nan 8.370 nan 0.000 0.494 376 E N -0.473 119.732 120.200 0.009 0.000 2.347 376 E HA -0.097 4.257 4.350 0.007 0.000 0.196 376 E C 1.557 178.309 176.600 0.254 0.000 1.008 376 E CA 0.333 56.795 56.400 0.103 0.000 0.852 376 E CB 0.128 29.895 29.700 0.112 0.000 0.783 376 E HN 0.137 nan 8.360 nan 0.000 0.505 377 F N 1.097 121.066 119.950 0.032 0.000 2.128 377 F HA -0.046 4.481 4.527 -0.001 0.000 0.295 377 F C 2.163 177.941 175.800 -0.037 0.000 1.100 377 F CA 0.858 58.839 58.000 -0.032 0.000 1.260 377 F CB -1.063 37.900 39.000 -0.061 0.000 1.009 377 F HN -0.035 nan 8.300 nan 0.000 0.476 378 K N 1.059 121.584 120.400 0.209 0.000 2.044 378 K HA -0.236 4.089 4.320 0.007 0.000 0.224 378 K C -0.679 175.951 176.600 0.051 0.000 1.056 378 K CA 2.639 58.992 56.287 0.111 0.000 0.962 378 K CB -1.534 31.021 32.500 0.093 0.000 0.730 378 K HN 0.132 nan 8.250 nan 0.000 0.453 379 P HA -0.147 nan 4.420 nan 0.000 0.222 379 P C 1.435 178.726 177.300 -0.015 0.000 1.147 379 P CA 0.968 64.077 63.100 0.016 0.000 0.790 379 P CB 0.085 31.799 31.700 0.024 0.000 0.780 380 L N -0.417 120.795 121.223 -0.020 0.000 2.068 380 L HA -0.051 4.293 4.340 0.007 0.000 0.204 380 L C 2.813 179.588 176.870 -0.159 0.000 1.076 380 L CA 1.331 56.122 54.840 -0.083 0.000 0.753 380 L CB -1.535 40.467 42.059 -0.095 0.000 0.910 380 L HN -0.194 nan 8.230 nan 0.000 0.439 381 V N -0.513 119.291 119.914 -0.183 0.000 2.343 381 V HA -0.271 3.854 4.120 0.007 0.000 0.247 381 V C 2.424 178.392 176.094 -0.210 0.000 1.051 381 V CA 1.552 63.669 62.300 -0.306 0.000 1.036 381 V CB -0.453 31.214 31.823 -0.259 0.000 0.654 381 V HN 0.476 nan 8.190 nan 0.000 0.451 382 E N -0.485 119.652 120.200 -0.105 0.000 2.110 382 E HA -0.230 4.124 4.350 0.007 0.000 0.193 382 E C 2.314 178.876 176.600 -0.062 0.000 0.988 382 E CA 1.010 57.372 56.400 -0.064 0.000 0.804 382 E CB -0.152 29.534 29.700 -0.023 0.000 0.745 382 E HN 0.565 nan 8.360 nan 0.000 0.458 383 E N 0.764 120.925 120.200 -0.065 0.000 2.048 383 E HA -0.190 4.165 4.350 0.007 0.000 0.202 383 E C -0.621 175.946 176.600 -0.054 0.000 1.021 383 E CA 1.873 58.243 56.400 -0.049 0.000 0.825 383 E CB -0.931 28.739 29.700 -0.049 0.000 0.756 383 E HN 0.195 nan 8.360 nan 0.000 0.454 384 P HA -0.149 nan 4.420 nan 0.000 0.218 384 P C 1.365 178.624 177.300 -0.069 0.000 1.149 384 P CA 1.490 64.540 63.100 -0.084 0.000 0.817 384 P CB -0.178 31.439 31.700 -0.138 0.000 0.785 385 Q N -0.379 119.372 119.800 -0.081 0.000 2.046 385 Q HA -0.107 4.237 4.340 0.007 0.000 0.200 385 Q C 2.148 178.135 176.000 -0.021 0.000 0.975 385 Q CA 1.199 56.972 55.803 -0.050 0.000 0.836 385 Q CB -0.517 28.191 28.738 -0.050 0.000 0.896 385 Q HN 0.269 nan 8.270 nan 0.000 0.428 386 N N 0.757 119.447 118.700 -0.017 0.000 2.223 386 N HA -0.097 4.648 4.740 0.007 0.000 0.185 386 N C 1.763 177.278 175.510 0.008 0.000 1.016 386 N CA 0.825 53.875 53.050 -0.001 0.000 0.863 386 N CB -0.150 38.338 38.487 0.000 0.000 0.983 386 N HN 0.199 nan 8.380 nan 0.000 0.429 387 L N 0.427 121.654 121.223 0.007 0.000 2.027 387 L HA -0.098 4.246 4.340 0.007 0.000 0.206 387 L C 2.000 178.889 176.870 0.031 0.000 1.074 387 L CA 0.735 55.591 54.840 0.026 0.000 0.745 387 L CB -0.258 41.817 42.059 0.027 0.000 0.898 387 L HN 0.113 nan 8.230 nan 0.000 0.433 388 I N 0.709 121.287 120.570 0.012 0.000 2.127 388 I HA -0.333 3.841 4.170 0.007 0.000 0.241 388 I C 3.105 179.225 176.117 0.005 0.000 1.075 388 I CA 2.070 63.373 61.300 0.005 0.000 1.334 388 I CB -1.382 36.611 38.000 -0.011 0.000 1.040 388 I HN 0.229 nan 8.210 nan 0.000 0.405 389 K N 0.480 120.884 120.400 0.007 0.000 1.985 389 K HA -0.255 4.070 4.320 0.007 0.000 0.210 389 K C 2.189 178.800 176.600 0.018 0.000 1.047 389 K CA 1.974 58.267 56.287 0.010 0.000 0.932 389 K CB -1.612 nan 32.500 nan 0.000 0.716 389 K HN 0.355 nan 8.250 nan 0.000 0.439 390 Q N 0.963 120.779 119.800 0.027 0.000 2.133 390 Q HA -0.221 4.123 4.340 0.007 0.000 0.208 390 Q C 2.121 178.158 176.000 0.061 0.000 0.991 390 Q CA 2.303 58.130 55.803 0.040 0.000 0.867 390 Q CB -0.695 28.068 28.738 0.042 0.000 0.911 390 Q HN 0.826 nan 8.270 nan 0.000 0.417 391 N N -1.055 117.687 118.700 0.069 0.000 2.251 391 N HA -0.019 4.725 4.740 0.007 0.000 0.181 391 N C 1.879 177.369 175.510 -0.034 0.000 1.019 391 N CA 1.371 54.486 53.050 0.107 0.000 0.862 391 N CB -0.483 38.110 38.487 0.177 0.000 0.992 391 N HN 0.473 nan 8.380 nan 0.000 0.429 392 c N 1.381 119.950 118.600 -0.052 0.000 2.432 392 c HA 0.017 4.591 4.570 0.007 0.000 0.280 392 c C 2.499 176.581 174.090 -0.013 0.000 1.353 392 c CA 0.282 56.557 56.329 -0.090 0.000 1.766 392 c CB -0.732 41.737 42.510 -0.069 0.000 1.924 392 c HN 0.471 nan 8.230 nan 0.000 0.509 393 E N 0.291 120.490 120.200 -0.000 0.000 2.028 393 E HA -0.209 4.146 4.350 0.007 0.000 0.191 393 E C 2.033 178.635 176.600 0.003 0.000 0.988 393 E CA 0.946 57.354 56.400 0.013 0.000 0.799 393 E CB -0.318 29.393 29.700 0.018 0.000 0.755 393 E HN 0.393 nan 8.360 nan 0.000 0.447 394 L N 0.805 122.036 121.223 0.014 0.000 2.043 394 L HA -0.200 4.144 4.340 0.007 0.000 0.212 394 L C 2.081 178.921 176.870 -0.050 0.000 1.075 394 L CA 1.620 56.487 54.840 0.045 0.000 0.752 394 L CB -0.677 41.493 42.059 0.185 0.000 0.891 394 L HN 0.132 nan 8.230 nan 0.000 0.432 395 F N 0.631 120.304 119.950 -0.463 0.000 2.293 395 F HA -0.080 4.451 4.527 0.007 0.000 0.300 395 F C 2.304 177.954 175.800 -0.250 0.000 1.086 395 F CA 1.773 59.389 58.000 -0.639 0.000 1.375 395 F CB -0.549 37.836 39.000 -1.025 0.000 1.045 395 F HN 0.237 nan 8.300 nan 0.000 0.516 396 E N 0.680 120.835 120.200 -0.075 0.000 2.072 396 E HA -0.191 4.163 4.350 0.007 0.000 0.191 396 E C 1.864 178.375 176.600 -0.148 0.000 0.985 396 E CA 1.595 57.948 56.400 -0.078 0.000 0.801 396 E CB -0.797 28.915 29.700 0.020 0.000 0.750 396 E HN 0.752 nan 8.360 nan 0.000 0.452 397 Q N -0.373 119.364 119.800 -0.105 0.000 1.896 397 Q HA 0.172 4.516 4.340 0.007 0.000 0.205 397 Q C 1.353 177.287 176.000 -0.110 0.000 0.978 397 Q CA 0.499 56.257 55.803 -0.075 0.000 0.850 397 Q CB -0.469 28.251 28.738 -0.030 0.000 0.908 397 Q HN 0.483 nan 8.270 nan 0.000 0.431 398 L N 0.625 121.796 121.223 -0.086 0.000 2.472 398 L HA 0.064 4.408 4.340 0.007 0.000 0.273 398 L C 0.878 177.624 176.870 -0.207 0.000 1.254 398 L CA -0.061 54.739 54.840 -0.068 0.000 0.823 398 L CB -0.244 41.837 42.059 0.035 0.000 1.096 398 L HN 0.278 nan 8.230 nan 0.000 0.521 399 G N -0.900 107.819 108.800 -0.135 0.000 2.557 399 G HA2 0.204 4.168 3.960 0.007 0.000 0.302 399 G HA3 0.204 4.168 3.960 0.007 0.000 0.302 399 G C 0.464 175.267 174.900 -0.163 0.000 1.311 399 G CA -0.308 44.655 45.100 -0.227 0.000 1.030 399 G HN 0.808 nan 8.290 nan 0.000 0.509 400 E N -1.254 118.898 120.200 -0.082 0.000 2.033 400 E HA -0.295 4.060 4.350 0.007 0.000 0.199 400 E C 1.860 178.626 176.600 0.277 0.000 1.011 400 E CA 1.671 58.224 56.400 0.254 0.000 0.815 400 E CB -0.307 29.579 29.700 0.311 0.000 0.755 400 E HN 0.513 nan 8.360 nan 0.000 0.451 401 Y N 1.366 121.727 120.300 0.101 0.000 2.053 401 Y HA -0.243 4.312 4.550 0.008 0.000 0.277 401 Y C 2.142 178.090 175.900 0.081 0.000 1.159 401 Y CA 2.259 60.410 58.100 0.084 0.000 1.125 401 Y CB -0.197 38.297 38.460 0.057 0.000 0.969 401 Y HN -0.062 nan 8.280 nan 0.000 0.492 402 K N -1.055 119.348 120.400 0.006 0.000 2.147 402 K HA -0.202 4.123 4.320 0.007 0.000 0.205 402 K C 2.012 178.598 176.600 -0.024 0.000 1.049 402 K CA 1.474 57.715 56.287 -0.077 0.000 0.936 402 K CB -0.523 31.997 32.500 0.035 0.000 0.722 402 K HN 0.360 nan 8.250 nan 0.000 0.446 403 F N 2.433 122.338 119.950 -0.076 0.000 2.259 403 F HA -0.122 4.409 4.527 0.006 0.000 0.298 403 F C 1.973 177.771 175.800 -0.003 0.000 1.088 403 F CA 1.329 59.325 58.000 -0.007 0.000 1.358 403 F CB -0.061 38.998 39.000 0.098 0.000 1.040 403 F HN -0.001 nan 8.300 nan 0.000 0.505 404 Q N -0.097 119.601 119.800 -0.171 0.000 2.119 404 Q HA -0.166 4.178 4.340 0.007 0.000 0.201 404 Q C 1.769 177.603 176.000 -0.278 0.000 0.972 404 Q CA 1.353 57.002 55.803 -0.256 0.000 0.847 404 Q CB -0.333 28.340 28.738 -0.109 0.000 0.903 404 Q HN 0.392 nan 8.270 nan 0.000 0.433 405 N N 1.006 119.522 118.700 -0.306 0.000 2.188 405 N HA -0.112 4.633 4.740 0.007 0.000 0.184 405 N C 1.640 177.033 175.510 -0.195 0.000 1.018 405 N CA 1.282 54.179 53.050 -0.254 0.000 0.858 405 N CB -0.354 37.958 38.487 -0.291 0.000 0.989 405 N HN 0.234 nan 8.380 nan 0.000 0.426 406 A N 1.384 124.081 122.820 -0.205 0.000 1.877 406 A HA -0.063 4.262 4.320 0.007 0.000 0.216 406 A C 2.330 179.760 177.584 -0.257 0.000 1.186 406 A CA 0.955 52.883 52.037 -0.182 0.000 0.620 406 A CB -0.777 18.149 19.000 -0.123 0.000 0.822 406 A HN 0.212 nan 8.150 nan 0.000 0.443 407 L N -1.205 119.808 121.223 -0.351 0.000 2.083 407 L HA -0.175 4.170 4.340 0.007 0.000 0.209 407 L C 2.548 179.317 176.870 -0.169 0.000 1.083 407 L CA 0.737 55.387 54.840 -0.316 0.000 0.752 407 L CB -0.588 41.332 42.059 -0.230 0.000 0.899 407 L HN 0.330 nan 8.230 nan 0.000 0.433 408 L N -0.322 120.830 121.223 -0.120 0.000 1.970 408 L HA -0.192 4.152 4.340 0.007 0.000 0.212 408 L C 2.492 179.320 176.870 -0.070 0.000 1.071 408 L CA 1.688 56.498 54.840 -0.050 0.000 0.751 408 L CB -0.664 41.352 42.059 -0.070 0.000 0.889 408 L HN -0.051 nan 8.230 nan 0.000 0.432 409 V N -0.552 119.297 119.914 -0.109 0.000 2.332 409 V HA -0.317 3.808 4.120 0.007 0.000 0.248 409 V C 2.714 178.724 176.094 -0.140 0.000 1.055 409 V CA 2.005 64.246 62.300 -0.098 0.000 1.038 409 V CB -0.726 31.043 31.823 -0.091 0.000 0.651 409 V HN 0.458 nan 8.190 nan 0.000 0.450 410 R N -1.049 119.299 120.500 -0.253 0.000 2.073 410 R HA -0.178 4.167 4.340 0.007 0.000 0.234 410 R C 2.324 178.394 176.300 -0.384 0.000 1.134 410 R CA 1.997 57.870 56.100 -0.380 0.000 0.952 410 R CB -0.261 29.671 30.300 -0.613 0.000 0.850 410 R HN 0.555 nan 8.270 nan 0.000 0.433 411 Y N -0.515 119.750 120.300 -0.058 0.000 2.420 411 Y HA 0.025 4.577 4.550 0.005 0.000 0.292 411 Y C 2.409 178.276 175.900 -0.055 0.000 1.119 411 Y CA 1.045 59.116 58.100 -0.049 0.000 1.229 411 Y CB -0.449 37.975 38.460 -0.060 0.000 1.026 411 Y HN 0.039 nan 8.280 nan 0.000 0.554 412 T N 0.091 114.674 114.554 0.048 0.000 2.788 412 T HA -0.157 4.197 4.350 0.007 0.000 0.268 412 T C 1.805 176.466 174.700 -0.065 0.000 1.044 412 T CA 1.385 63.478 62.100 -0.013 0.000 1.139 412 T CB -0.121 68.734 68.868 -0.022 0.000 0.867 412 T HN 0.300 nan 8.240 nan 0.000 0.454 413 K N 0.793 121.160 120.400 -0.054 0.000 2.148 413 K HA -0.005 4.319 4.320 0.007 0.000 0.204 413 K C 2.347 178.924 176.600 -0.038 0.000 1.050 413 K CA 0.896 57.149 56.287 -0.057 0.000 0.942 413 K CB -0.002 32.469 32.500 -0.049 0.000 0.724 413 K HN 0.300 nan 8.250 nan 0.000 0.446 414 K N 0.404 120.805 120.400 0.001 0.000 2.044 414 K HA -0.007 4.317 4.320 0.007 0.000 0.204 414 K C 0.597 177.216 176.600 0.031 0.000 1.049 414 K CA 0.872 57.185 56.287 0.044 0.000 0.945 414 K CB 0.449 33.028 32.500 0.131 0.000 0.724 414 K HN -0.107 nan 8.250 nan 0.000 0.440 415 V N 2.239 122.168 119.914 0.026 0.000 2.320 415 V HA 0.142 4.267 4.120 0.007 0.000 0.257 415 V C -2.350 173.700 176.094 -0.074 0.000 0.996 415 V CA -1.095 61.207 62.300 0.002 0.000 0.928 415 V CB 0.954 32.808 31.823 0.052 0.000 1.169 415 V HN 0.015 nan 8.190 nan 0.000 0.475 416 P HA -0.132 nan 4.420 nan 0.000 0.219 416 P C 1.420 178.545 177.300 -0.290 0.000 1.146 416 P CA 1.108 63.920 63.100 -0.480 0.000 0.808 416 P CB 0.295 31.225 31.700 -1.283 0.000 0.779 417 Q N -0.877 118.858 119.800 -0.109 0.000 2.224 417 Q HA -0.031 4.313 4.340 0.007 0.000 0.203 417 Q C 0.688 176.716 176.000 0.046 0.000 0.970 417 Q CA 0.549 56.376 55.803 0.040 0.000 0.865 417 Q CB -1.228 27.566 28.738 0.093 0.000 0.922 417 Q HN 0.117 nan 8.270 nan 0.000 0.445 418 V N 2.039 121.974 119.914 0.035 0.000 2.763 418 V HA -0.011 4.113 4.120 0.007 0.000 0.306 418 V C 0.610 176.722 176.094 0.031 0.000 1.059 418 V CA -0.072 62.262 62.300 0.056 0.000 1.138 418 V CB 0.861 32.715 31.823 0.052 0.000 0.940 418 V HN 0.400 nan 8.190 nan 0.000 0.489 419 S N 3.085 118.805 115.700 0.034 0.000 2.560 419 S HA 0.017 4.491 4.470 0.007 0.000 0.284 419 S C 1.214 175.820 174.600 0.011 0.000 1.327 419 S CA 0.177 58.389 58.200 0.019 0.000 1.055 419 S CB 0.944 64.153 63.200 0.015 0.000 0.868 419 S HN 0.791 nan 8.310 nan 0.000 0.506 420 T N 3.728 118.284 114.554 0.003 0.000 2.720 420 T HA -0.030 4.324 4.350 0.007 0.000 0.268 420 T C -0.716 173.985 174.700 0.001 0.000 1.037 420 T CA 1.648 63.748 62.100 -0.001 0.000 1.144 420 T CB -1.353 67.508 68.868 -0.011 0.000 0.864 420 T HN 0.717 nan 8.240 nan 0.000 0.444 421 P HA -0.030 nan 4.420 nan 0.000 0.220 421 P C 1.341 178.644 177.300 0.004 0.000 1.148 421 P CA 1.142 64.244 63.100 0.002 0.000 0.803 421 P CB -0.268 31.432 31.700 -0.001 0.000 0.782 422 T N 0.574 115.131 114.554 0.005 0.000 2.812 422 T HA -0.015 4.340 4.350 0.007 0.000 0.264 422 T C 1.981 176.675 174.700 -0.009 0.000 1.042 422 T CA 0.852 62.953 62.100 0.003 0.000 1.140 422 T CB -0.757 68.121 68.868 0.015 0.000 0.870 422 T HN 0.043 nan 8.240 nan 0.000 0.445 423 L N 0.843 122.064 121.223 -0.004 0.000 2.042 423 L HA -0.108 4.237 4.340 0.007 0.000 0.210 423 L C 2.623 179.491 176.870 -0.004 0.000 1.076 423 L CA 0.928 55.765 54.840 -0.006 0.000 0.749 423 L CB -0.615 41.450 42.059 0.010 0.000 0.893 423 L HN 0.154 nan 8.230 nan 0.000 0.432 424 V N -0.266 119.650 119.914 0.003 0.000 2.343 424 V HA -0.309 3.816 4.120 0.007 0.000 0.247 424 V C 2.439 178.537 176.094 0.006 0.000 1.051 424 V CA 2.054 64.360 62.300 0.010 0.000 1.036 424 V CB -0.442 31.393 31.823 0.022 0.000 0.654 424 V HN 0.505 nan 8.190 nan 0.000 0.451 425 E N 0.088 120.288 120.200 0.000 0.000 2.028 425 E HA -0.186 4.169 4.350 0.007 0.000 0.191 425 E C 2.238 178.824 176.600 -0.024 0.000 0.988 425 E CA 1.738 58.136 56.400 -0.003 0.000 0.799 425 E CB -0.051 29.648 29.700 -0.002 0.000 0.755 425 E HN 0.380 nan 8.360 nan 0.000 0.447 426 V N 0.915 120.798 119.914 -0.052 0.000 2.282 426 V HA -0.298 3.826 4.120 0.007 0.000 0.249 426 V C 2.439 178.473 176.094 -0.100 0.000 1.057 426 V CA 2.106 64.344 62.300 -0.102 0.000 1.032 426 V CB -0.651 31.073 31.823 -0.164 0.000 0.645 426 V HN 0.268 nan 8.190 nan 0.000 0.447 427 S N -0.495 115.166 115.700 -0.065 0.000 2.370 427 S HA -0.201 4.274 4.470 0.007 0.000 0.226 427 S C 2.046 176.629 174.600 -0.029 0.000 1.033 427 S CA 1.531 59.712 58.200 -0.031 0.000 1.011 427 S CB -0.341 62.863 63.200 0.007 0.000 0.852 427 S HN 0.553 nan 8.310 nan 0.000 0.457 428 R N 1.381 121.875 120.500 -0.009 0.000 2.070 428 R HA -0.036 4.308 4.340 0.007 0.000 0.233 428 R C 2.052 178.364 176.300 0.021 0.000 1.137 428 R CA 1.660 57.772 56.100 0.021 0.000 0.945 428 R CB -0.606 29.718 30.300 0.040 0.000 0.845 428 R HN 0.365 nan 8.270 nan 0.000 0.430 429 N N 0.747 119.446 118.700 -0.001 0.000 2.104 429 N HA -0.154 4.590 4.740 0.007 0.000 0.190 429 N C 1.604 177.107 175.510 -0.013 0.000 1.024 429 N CA 0.828 53.873 53.050 -0.007 0.000 0.853 429 N CB -0.236 38.240 38.487 -0.018 0.000 1.008 429 N HN 0.011 nan 8.380 nan 0.000 0.424 430 L N 0.470 121.676 121.223 -0.028 0.000 2.042 430 L HA -0.052 4.293 4.340 0.007 0.000 0.210 430 L C 2.238 179.147 176.870 0.065 0.000 1.076 430 L CA 1.686 56.518 54.840 -0.014 0.000 0.749 430 L CB -1.241 40.787 42.059 -0.052 0.000 0.893 430 L HN 0.258 nan 8.230 nan 0.000 0.432 431 G N -1.234 107.610 108.800 0.074 0.000 2.418 431 G HA2 -0.272 3.692 3.960 0.007 0.000 0.217 431 G HA3 -0.272 3.692 3.960 0.007 0.000 0.217 431 G C 1.718 176.743 174.900 0.207 0.000 1.158 431 G CA 0.793 46.031 45.100 0.230 0.000 0.771 431 G HN 0.357 nan 8.290 nan 0.000 0.545 432 K N 0.012 120.462 120.400 0.084 0.000 2.063 432 K HA -0.063 4.262 4.320 0.007 0.000 0.208 432 K C 2.552 179.077 176.600 -0.124 0.000 1.048 432 K CA 1.218 57.505 56.287 0.000 0.000 0.928 432 K CB -0.377 32.102 32.500 -0.036 0.000 0.713 432 K HN 0.221 nan 8.250 nan 0.000 0.442 433 V N 1.012 120.849 119.914 -0.128 0.000 2.332 433 V HA -0.237 3.887 4.120 0.007 0.000 0.248 433 V C 2.398 178.383 176.094 -0.182 0.000 1.055 433 V CA 2.208 64.386 62.300 -0.203 0.000 1.038 433 V CB -1.159 30.633 31.823 -0.052 0.000 0.651 433 V HN 0.528 nan 8.190 nan 0.000 0.450 434 G N 0.296 109.037 108.800 -0.097 0.000 2.440 434 G HA2 -0.289 3.675 3.960 0.007 0.000 0.218 434 G HA3 -0.289 3.675 3.960 0.007 0.000 0.218 434 G C 1.833 176.215 174.900 -0.863 0.000 1.154 434 G CA 1.455 46.369 45.100 -0.309 0.000 0.767 434 G HN 0.674 nan 8.290 nan 0.000 0.552 435 S N -0.136 115.180 115.700 -0.640 0.000 2.446 435 S HA 0.088 4.562 4.470 0.007 0.000 0.225 435 S C 1.999 176.441 174.600 -0.264 0.000 1.016 435 S CA 1.374 59.221 58.200 -0.588 0.000 0.943 435 S CB 0.004 63.267 63.200 0.105 0.000 0.786 435 S HN 0.421 nan 8.310 nan 0.000 0.508 436 K N 0.162 120.428 120.400 -0.223 0.000 2.167 436 K HA 0.148 4.472 4.320 0.007 0.000 0.203 436 K C 1.602 178.226 176.600 0.040 0.000 1.052 436 K CA 1.203 57.418 56.287 -0.121 0.000 0.956 436 K CB -0.196 32.103 32.500 -0.334 0.000 0.735 436 K HN 0.481 nan 8.250 nan 0.000 0.451 437 c N -0.699 117.860 118.600 -0.068 0.000 2.513 437 c HA 0.108 4.683 4.570 0.007 0.000 0.292 437 c C 2.515 176.635 174.090 0.051 0.000 1.359 437 c CA -0.326 55.994 56.329 -0.016 0.000 1.778 437 c CB -0.518 41.937 42.510 -0.092 0.000 2.180 437 c HN 0.610 nan 8.230 nan 0.000 0.509 438 c N 1.724 120.239 118.600 -0.142 0.000 2.403 438 c HA -0.098 4.477 4.570 0.007 0.000 0.282 438 c C 3.027 177.111 174.090 -0.010 0.000 1.297 438 c CA 1.837 58.086 56.329 -0.134 0.000 1.785 438 c CB -1.584 40.716 42.510 -0.350 0.000 1.963 438 c HN 0.754 nan 8.230 nan 0.000 0.507 439 K N 0.055 120.468 120.400 0.023 0.000 2.362 439 K HA -0.079 4.246 4.320 0.007 0.000 0.200 439 K C 0.739 177.330 176.600 -0.015 0.000 1.046 439 K CA 0.891 57.184 56.287 0.010 0.000 0.952 439 K CB -0.810 31.672 32.500 -0.031 0.000 0.753 439 K HN 0.779 nan 8.250 nan 0.000 0.466 440 H N 0.136 119.194 119.070 -0.021 0.000 2.547 440 H HA 0.194 4.754 4.556 0.008 0.000 0.362 440 H C -2.314 173.011 175.328 -0.004 0.000 1.181 440 H CA -2.135 53.909 56.048 -0.005 0.000 1.376 440 H CB 1.102 30.865 29.762 0.002 0.000 1.488 440 H HN 0.097 nan 8.280 nan 0.000 0.583 441 P HA -0.025 nan 4.420 nan 0.000 0.271 441 P C 0.872 178.215 177.300 0.071 0.000 1.216 441 P CA 0.010 63.151 63.100 0.068 0.000 0.776 441 P CB 0.704 32.433 31.700 0.048 0.000 0.881 442 E N 2.815 123.044 120.200 0.048 0.000 2.324 442 E HA -0.323 4.032 4.350 0.007 0.000 0.205 442 E C 1.309 177.934 176.600 0.043 0.000 1.031 442 E CA 1.557 57.981 56.400 0.040 0.000 0.836 442 E CB -0.150 29.569 29.700 0.033 0.000 0.742 442 E HN 0.519 nan 8.360 nan 0.000 0.491 443 A N -0.203 122.643 122.820 0.044 0.000 2.167 443 A HA -0.001 4.323 4.320 0.007 0.000 0.214 443 A C 2.013 179.619 177.584 0.036 0.000 1.151 443 A CA 1.520 53.581 52.037 0.041 0.000 0.735 443 A CB -0.218 18.798 19.000 0.026 0.000 0.802 443 A HN 0.257 nan 8.150 nan 0.000 0.467 444 K N -0.310 120.113 120.400 0.039 0.000 2.440 444 K HA 0.285 4.610 4.320 0.007 0.000 0.207 444 K C 1.697 178.266 176.600 -0.051 0.000 1.112 444 K CA 0.365 56.658 56.287 0.011 0.000 1.036 444 K CB -0.298 32.240 32.500 0.064 0.000 0.935 444 K HN 0.512 nan 8.250 nan 0.000 0.564 445 R N -0.049 120.436 120.500 -0.024 0.000 2.082 445 R HA 0.001 4.346 4.340 0.007 0.000 0.234 445 R C 2.416 178.678 176.300 -0.064 0.000 1.136 445 R CA 2.004 58.069 56.100 -0.058 0.000 0.935 445 R CB -0.371 29.918 30.300 -0.017 0.000 0.842 445 R HN 0.358 nan 8.270 nan 0.000 0.430 446 M N 0.161 119.740 119.600 -0.035 0.000 2.082 446 M HA -0.126 4.358 4.480 0.007 0.000 0.258 446 M C -0.794 175.477 176.300 -0.049 0.000 1.069 446 M CA 2.032 57.308 55.300 -0.039 0.000 1.102 446 M CB -0.970 31.610 32.600 -0.034 0.000 1.336 446 M HN -0.028 nan 8.290 nan 0.000 0.404 447 P HA -0.134 nan 4.420 nan 0.000 0.217 447 P C 1.663 178.906 177.300 -0.094 0.000 1.150 447 P CA 1.128 64.185 63.100 -0.071 0.000 0.832 447 P CB -0.248 31.408 31.700 -0.073 0.000 0.787 448 c N -0.263 118.266 118.600 -0.117 0.000 2.436 448 c HA -0.076 4.499 4.570 0.007 0.000 0.277 448 c C 2.824 176.915 174.090 0.001 0.000 1.241 448 c CA 1.622 57.879 56.329 -0.119 0.000 1.721 448 c CB -1.631 40.737 42.510 -0.237 0.000 2.043 448 c HN 0.212 nan 8.230 nan 0.000 0.472 449 A N -0.052 122.772 122.820 0.008 0.000 1.883 449 A HA -0.250 4.074 4.320 0.007 0.000 0.217 449 A C 2.177 179.781 177.584 0.033 0.000 1.186 449 A CA 2.110 54.177 52.037 0.050 0.000 0.624 449 A CB -1.056 17.951 19.000 0.011 0.000 0.822 449 A HN 0.826 nan 8.150 nan 0.000 0.444 450 E N -0.401 119.793 120.200 -0.011 0.000 2.049 450 E HA -0.309 4.045 4.350 0.007 0.000 0.198 450 E C 1.609 178.198 176.600 -0.018 0.000 1.007 450 E CA 1.781 58.174 56.400 -0.012 0.000 0.809 450 E CB -0.237 29.451 29.700 -0.021 0.000 0.749 450 E HN 0.543 nan 8.360 nan 0.000 0.450 451 D N -1.127 119.225 120.400 -0.080 0.000 2.117 451 D HA -0.149 4.496 4.640 0.007 0.000 0.197 451 D C 1.697 177.896 176.300 -0.168 0.000 0.987 451 D CA 1.121 55.026 54.000 -0.159 0.000 0.829 451 D CB -0.159 40.458 40.800 -0.305 0.000 0.961 451 D HN 0.296 nan 8.370 nan 0.000 0.460 452 Y N -0.343 119.949 120.300 -0.014 0.000 2.243 452 Y HA 0.017 4.570 4.550 0.006 0.000 0.293 452 Y C 2.012 177.899 175.900 -0.022 0.000 1.124 452 Y CA 0.283 58.376 58.100 -0.012 0.000 1.159 452 Y CB -0.457 37.993 38.460 -0.017 0.000 1.008 452 Y HN -0.023 nan 8.280 nan 0.000 0.527 453 L N -0.061 121.238 121.223 0.127 0.000 2.191 453 L HA -0.185 4.159 4.340 0.007 0.000 0.212 453 L C 2.538 179.413 176.870 0.008 0.000 1.103 453 L CA 1.899 56.764 54.840 0.042 0.000 0.769 453 L CB -1.024 41.049 42.059 0.024 0.000 0.908 453 L HN 0.315 nan 8.230 nan 0.000 0.438 454 S N -1.759 113.950 115.700 0.015 0.000 2.368 454 S HA -0.170 4.305 4.470 0.007 0.000 0.224 454 S C 2.067 176.666 174.600 -0.001 0.000 1.029 454 S CA 1.319 59.523 58.200 0.006 0.000 0.988 454 S CB -1.303 61.901 63.200 0.006 0.000 0.838 454 S HN 0.342 nan 8.310 nan 0.000 0.462 455 V N 1.564 121.484 119.914 0.009 0.000 2.323 455 V HA -0.045 4.079 4.120 0.007 0.000 0.244 455 V C 2.224 178.317 176.094 -0.001 0.000 1.041 455 V CA 1.763 64.069 62.300 0.010 0.000 1.025 455 V CB -0.907 30.937 31.823 0.035 0.000 0.656 455 V HN 0.399 nan 8.190 nan 0.000 0.451 456 V N 0.243 120.156 119.914 -0.001 0.000 2.324 456 V HA -0.232 3.892 4.120 0.007 0.000 0.250 456 V C 2.674 178.705 176.094 -0.105 0.000 1.060 456 V CA 2.363 64.638 62.300 -0.043 0.000 1.042 456 V CB -0.882 30.912 31.823 -0.049 0.000 0.650 456 V HN 0.510 nan 8.190 nan 0.000 0.450 457 L N 0.145 121.296 121.223 -0.120 0.000 2.156 457 L HA -0.058 4.286 4.340 0.007 0.000 0.208 457 L C 2.141 178.960 176.870 -0.085 0.000 1.095 457 L CA 1.835 56.565 54.840 -0.184 0.000 0.770 457 L CB -1.272 40.696 42.059 -0.151 0.000 0.914 457 L HN 0.435 nan 8.230 nan 0.000 0.439 458 N N -0.788 117.892 118.700 -0.033 0.000 2.171 458 N HA -0.194 4.551 4.740 0.007 0.000 0.184 458 N C 1.951 177.457 175.510 -0.008 0.000 1.021 458 N CA 1.541 54.589 53.050 -0.004 0.000 0.854 458 N CB 0.052 38.537 38.487 -0.004 0.000 0.994 458 N HN 0.394 nan 8.380 nan 0.000 0.426 459 Q N 0.532 120.321 119.800 -0.018 0.000 2.084 459 Q HA -0.057 4.288 4.340 0.007 0.000 0.202 459 Q C 2.163 178.154 176.000 -0.015 0.000 0.978 459 Q CA 1.649 57.446 55.803 -0.010 0.000 0.844 459 Q CB -1.192 27.540 28.738 -0.010 0.000 0.898 459 Q HN 0.492 nan 8.270 nan 0.000 0.426 460 L N 0.215 121.406 121.223 -0.055 0.000 2.012 460 L HA -0.135 4.209 4.340 0.007 0.000 0.210 460 L C 2.604 179.478 176.870 0.007 0.000 1.073 460 L CA 2.452 57.251 54.840 -0.069 0.000 0.748 460 L CB -0.992 40.944 42.059 -0.205 0.000 0.891 460 L HN 0.580 nan 8.230 nan 0.000 0.431 461 c N -1.725 116.888 118.600 0.022 0.000 2.429 461 c HA -0.123 4.451 4.570 0.007 0.000 0.277 461 c C 2.751 176.901 174.090 0.101 0.000 1.262 461 c CA 0.864 57.245 56.329 0.088 0.000 1.733 461 c CB -0.862 41.703 42.510 0.092 0.000 2.010 461 c HN 0.514 nan 8.230 nan 0.000 0.483 462 V N 1.985 121.933 119.914 0.057 0.000 2.255 462 V HA -0.193 3.931 4.120 0.007 0.000 0.247 462 V C 1.973 178.100 176.094 0.055 0.000 1.051 462 V CA 2.302 64.628 62.300 0.044 0.000 1.018 462 V CB -0.754 31.082 31.823 0.021 0.000 0.641 462 V HN 0.708 nan 8.190 nan 0.000 0.445 463 L N -1.434 119.823 121.223 0.057 0.000 2.713 463 L HA 0.136 4.480 4.340 0.007 0.000 0.245 463 L C 1.504 178.430 176.870 0.093 0.000 1.169 463 L CA 1.501 56.373 54.840 0.053 0.000 0.962 463 L CB -0.875 41.206 42.059 0.036 0.000 1.161 463 L HN 0.408 nan 8.230 nan 0.000 0.427 464 H N -1.476 117.603 119.070 0.014 0.000 3.436 464 H HA 0.038 4.599 4.556 0.009 0.000 0.244 464 H C 1.646 176.986 175.328 0.021 0.000 1.009 464 H CA 0.905 56.967 56.048 0.023 0.000 1.129 464 H CB 0.687 30.474 29.762 0.042 0.000 1.473 464 H HN 0.428 nan 8.280 nan 0.000 0.510 465 E N 1.526 121.791 120.200 0.109 0.000 2.051 465 E HA -0.131 4.223 4.350 0.007 0.000 0.192 465 E C 1.948 178.534 176.600 -0.024 0.000 0.991 465 E CA 1.751 58.184 56.400 0.054 0.000 0.799 465 E CB -0.025 29.703 29.700 0.047 0.000 0.748 465 E HN 0.654 nan 8.360 nan 0.000 0.449 466 K N -0.500 119.887 120.400 -0.021 0.000 1.991 466 K HA -0.051 4.274 4.320 0.007 0.000 0.212 466 K C 1.390 177.946 176.600 -0.074 0.000 1.049 466 K CA 1.662 57.927 56.287 -0.036 0.000 0.932 466 K CB -0.252 32.238 32.500 -0.018 0.000 0.717 466 K HN 0.214 nan 8.250 nan 0.000 0.441 467 T N 3.086 117.574 114.554 -0.110 0.000 3.368 467 T HA 0.231 4.585 4.350 0.007 0.000 0.321 467 T C -2.648 171.867 174.700 -0.308 0.000 1.830 467 T CA -1.409 60.605 62.100 -0.144 0.000 1.494 467 T CB 0.849 69.667 68.868 -0.084 0.000 1.045 467 T HN -0.069 nan 8.240 nan 0.000 0.729 468 P HA 0.026 nan 4.420 nan 0.000 0.255 468 P C 0.433 177.543 177.300 -0.316 0.000 1.161 468 P CA 0.345 63.139 63.100 -0.511 0.000 0.768 468 P CB 0.647 32.226 31.700 -0.202 0.000 0.746 469 V N 1.793 121.530 119.914 -0.294 0.000 3.371 469 V HA 0.117 4.241 4.120 0.007 0.000 0.246 469 V C 0.766 176.960 176.094 0.166 0.000 1.303 469 V CA 0.770 63.086 62.300 0.027 0.000 1.156 469 V CB 0.812 32.690 31.823 0.091 0.000 0.929 469 V HN 0.482 nan 8.190 nan 0.000 0.459 470 S N 0.266 116.191 115.700 0.375 0.000 2.541 470 S HA 0.297 4.772 4.470 0.007 0.000 0.280 470 S C 0.443 175.161 174.600 0.196 0.000 1.112 470 S CA -0.261 58.075 58.200 0.227 0.000 0.925 470 S CB 1.762 65.057 63.200 0.158 0.000 1.067 470 S HN 0.522 nan 8.310 nan 0.000 0.479 471 D N 4.222 124.682 120.400 0.101 0.000 2.123 471 D HA -0.123 4.521 4.640 0.007 0.000 0.200 471 D C 1.450 177.759 176.300 0.015 0.000 0.976 471 D CA 0.771 54.809 54.000 0.064 0.000 0.831 471 D CB -0.178 40.645 40.800 0.039 0.000 0.974 471 D HN 0.545 nan 8.370 nan 0.000 0.469 472 R N 0.633 121.128 120.500 -0.008 0.000 2.096 472 R HA -0.031 4.314 4.340 0.007 0.000 0.235 472 R C 2.587 178.789 176.300 -0.164 0.000 1.127 472 R CA 1.011 57.068 56.100 -0.072 0.000 0.968 472 R CB -0.381 29.889 30.300 -0.049 0.000 0.861 472 R HN 0.116 nan 8.270 nan 0.000 0.440 473 V N 0.393 120.217 119.914 -0.150 0.000 2.548 473 V HA -0.164 3.960 4.120 0.007 0.000 0.249 473 V C 1.923 177.866 176.094 -0.252 0.000 1.055 473 V CA 1.969 64.104 62.300 -0.274 0.000 1.065 473 V CB -0.377 31.171 31.823 -0.458 0.000 0.681 473 V HN 0.386 nan 8.190 nan 0.000 0.462 474 T N -0.279 114.223 114.554 -0.087 0.000 2.857 474 T HA -0.172 4.182 4.350 0.007 0.000 0.266 474 T C 1.912 176.592 174.700 -0.034 0.000 1.048 474 T CA 1.525 63.641 62.100 0.027 0.000 1.139 474 T CB -0.092 68.855 68.868 0.131 0.000 0.874 474 T HN 0.485 nan 8.240 nan 0.000 0.455 475 K N 0.530 120.883 120.400 -0.079 0.000 2.026 475 K HA -0.093 4.231 4.320 0.007 0.000 0.208 475 K C 2.354 178.869 176.600 -0.141 0.000 1.048 475 K CA 1.378 57.612 56.287 -0.088 0.000 0.929 475 K CB -0.458 31.986 32.500 -0.093 0.000 0.713 475 K HN 0.285 nan 8.250 nan 0.000 0.439 476 c N 0.448 118.873 118.600 -0.291 0.000 2.429 476 c HA -0.108 4.466 4.570 0.007 0.000 0.277 476 c C 2.859 176.839 174.090 -0.185 0.000 1.262 476 c CA 0.543 56.613 56.329 -0.432 0.000 1.733 476 c CB -0.931 40.849 42.510 -1.217 0.000 2.010 476 c HN 0.675 nan 8.230 nan 0.000 0.483 477 c N 0.840 119.387 118.600 -0.088 0.000 2.432 477 c HA -0.060 4.515 4.570 0.007 0.000 0.280 477 c C 2.546 176.678 174.090 0.070 0.000 1.353 477 c CA 1.889 58.259 56.329 0.069 0.000 1.766 477 c CB -1.550 41.013 42.510 0.088 0.000 1.924 477 c HN 0.831 nan 8.230 nan 0.000 0.509 478 T N -2.328 112.250 114.554 0.041 0.000 3.092 478 T HA 0.153 4.507 4.350 0.007 0.000 0.258 478 T C 0.048 174.801 174.700 0.089 0.000 1.031 478 T CA 0.039 62.178 62.100 0.065 0.000 0.925 478 T CB 0.124 69.017 68.868 0.042 0.000 1.036 478 T HN 0.472 nan 8.240 nan 0.000 0.544 479 E N 1.975 122.209 120.200 0.057 0.000 2.376 479 E HA 0.436 4.790 4.350 0.007 0.000 0.254 479 E C 0.199 176.844 176.600 0.075 0.000 1.213 479 E CA -0.420 56.001 56.400 0.036 0.000 0.945 479 E CB 0.905 30.587 29.700 -0.030 0.000 1.057 479 E HN 0.191 nan 8.360 nan 0.000 0.479 480 S N 0.100 115.789 115.700 -0.018 0.000 2.558 480 S HA 0.006 4.481 4.470 0.007 0.000 0.291 480 S C 1.483 175.986 174.600 -0.162 0.000 1.306 480 S CA 0.303 58.399 58.200 -0.173 0.000 1.056 480 S CB -0.087 63.002 63.200 -0.185 0.000 0.836 480 S HN 0.682 nan 8.310 nan 0.000 0.504 481 L N 5.339 126.340 121.223 -0.370 0.000 2.261 481 L HA 0.056 4.401 4.340 0.007 0.000 0.216 481 L C 2.259 179.081 176.870 -0.080 0.000 1.114 481 L CA 2.156 56.933 54.840 -0.105 0.000 0.777 481 L CB -1.505 40.504 42.059 -0.084 0.000 0.910 481 L HN 0.824 nan 8.230 nan 0.000 0.440 482 V N -0.796 119.032 119.914 -0.143 0.000 3.608 482 V HA -0.006 4.119 4.120 0.007 0.000 0.269 482 V C 1.791 177.842 176.094 -0.071 0.000 1.245 482 V CA 1.149 63.394 62.300 -0.092 0.000 1.138 482 V CB -0.338 31.416 31.823 -0.114 0.000 0.841 482 V HN 0.779 nan 8.190 nan 0.000 0.451 483 N N -0.252 118.408 118.700 -0.067 0.000 2.220 483 N HA 0.110 4.855 4.740 0.007 0.000 0.195 483 N C 1.679 177.177 175.510 -0.021 0.000 1.123 483 N CA 0.033 53.054 53.050 -0.049 0.000 0.874 483 N CB 0.037 38.489 38.487 -0.059 0.000 0.995 483 N HN 0.329 nan 8.380 nan 0.000 0.498 484 R N 0.846 121.354 120.500 0.013 0.000 2.103 484 R HA -0.063 4.281 4.340 0.007 0.000 0.234 484 R C 2.045 178.435 176.300 0.149 0.000 1.132 484 R CA 1.415 57.562 56.100 0.078 0.000 0.925 484 R CB -0.023 30.354 30.300 0.128 0.000 0.842 484 R HN 0.004 nan 8.270 nan 0.000 0.430 485 R N 0.078 120.655 120.500 0.129 0.000 2.083 485 R HA -0.081 4.264 4.340 0.007 0.000 0.237 485 R C -0.777 175.594 176.300 0.119 0.000 1.137 485 R CA 1.835 58.022 56.100 0.145 0.000 0.951 485 R CB -1.415 28.925 30.300 0.066 0.000 0.851 485 R HN 0.300 nan 8.270 nan 0.000 0.434 486 P HA -0.093 nan 4.420 nan 0.000 0.218 486 P C 1.609 178.917 177.300 0.013 0.000 1.149 486 P CA 0.859 63.973 63.100 0.023 0.000 0.817 486 P CB -0.243 31.450 31.700 -0.012 0.000 0.785 487 c N -1.818 116.767 118.600 -0.026 0.000 2.413 487 c HA -0.163 4.412 4.570 0.007 0.000 0.276 487 c C 2.351 176.343 174.090 -0.163 0.000 1.248 487 c CA 0.838 57.092 56.329 -0.126 0.000 1.742 487 c CB -2.124 40.252 42.510 -0.224 0.000 2.017 487 c HN 0.065 nan 8.230 nan 0.000 0.481 488 F N 1.283 121.221 119.950 -0.019 0.000 2.163 488 F HA -0.027 4.506 4.527 0.009 0.000 0.297 488 F C 2.769 178.582 175.800 0.023 0.000 1.094 488 F CA 1.866 59.855 58.000 -0.017 0.000 1.290 488 F CB -0.726 38.244 39.000 -0.050 0.000 1.017 488 F HN 0.101 nan 8.300 nan 0.000 0.483 489 S N -0.200 115.621 115.700 0.202 0.000 2.419 489 S HA -0.156 4.318 4.470 0.007 0.000 0.233 489 S C 2.194 176.850 174.600 0.094 0.000 1.016 489 S CA 0.936 59.223 58.200 0.145 0.000 0.974 489 S CB -0.552 62.705 63.200 0.096 0.000 0.786 489 S HN 0.351 nan 8.310 nan 0.000 0.492 490 A N 0.787 123.640 122.820 0.054 0.000 2.119 490 A HA 0.260 4.585 4.320 0.007 0.000 0.216 490 A C 0.790 178.387 177.584 0.022 0.000 1.152 490 A CA 0.134 52.184 52.037 0.021 0.000 0.708 490 A CB -0.395 18.598 19.000 -0.012 0.000 0.805 490 A HN 0.415 nan 8.150 nan 0.000 0.460 491 L N 1.027 122.277 121.223 0.044 0.000 2.525 491 L HA 0.050 4.394 4.340 0.007 0.000 0.278 491 L C 0.332 177.233 176.870 0.052 0.000 1.218 491 L CA 0.406 55.275 54.840 0.048 0.000 0.878 491 L CB 0.202 42.324 42.059 0.104 0.000 1.127 491 L HN 0.406 nan 8.230 nan 0.000 0.492 492 E N 1.307 121.527 120.200 0.033 0.000 2.320 492 E HA 0.383 4.738 4.350 0.007 0.000 0.264 492 E C -0.931 175.683 176.600 0.025 0.000 0.923 492 E CA -1.119 55.296 56.400 0.025 0.000 0.796 492 E CB 2.291 32.001 29.700 0.016 0.000 1.262 492 E HN 0.209 nan 8.360 nan 0.000 0.428 493 V N 1.909 121.832 119.914 0.016 0.000 2.843 493 V HA -0.133 3.992 4.120 0.007 0.000 0.305 493 V C 0.319 176.430 176.094 0.028 0.000 1.120 493 V CA 0.746 63.055 62.300 0.015 0.000 1.254 493 V CB 0.122 31.951 31.823 0.010 0.000 0.901 493 V HN 0.652 nan 8.190 nan 0.000 0.503 494 D N 4.226 124.647 120.400 0.035 0.000 2.365 494 D HA 0.325 4.970 4.640 0.007 0.000 0.237 494 D C 0.938 177.293 176.300 0.092 0.000 1.190 494 D CA 0.506 54.543 54.000 0.062 0.000 0.867 494 D CB 1.619 42.458 40.800 0.065 0.000 1.050 494 D HN 0.795 nan 8.370 nan 0.000 0.491 495 E N 2.056 122.299 120.200 0.072 0.000 2.299 495 E HA -0.081 4.274 4.350 0.007 0.000 0.193 495 E C 1.719 178.365 176.600 0.077 0.000 0.998 495 E CA 0.855 57.295 56.400 0.067 0.000 0.851 495 E CB -0.528 nan 29.700 nan 0.000 0.795 495 E HN 0.512 nan 8.360 nan 0.000 0.492 496 T N -0.169 114.437 114.554 0.086 0.000 2.951 496 T HA 0.040 4.395 4.350 0.007 0.000 0.268 496 T C 0.646 175.407 174.700 0.102 0.000 1.073 496 T CA 0.432 62.579 62.100 0.077 0.000 1.134 496 T CB -0.446 68.466 68.868 0.073 0.000 0.884 496 T HN 0.551 nan 8.240 nan 0.000 0.479 497 Y N 2.817 123.130 120.300 0.022 0.000 2.717 497 Y HA 0.218 4.772 4.550 0.007 0.000 0.330 497 Y C -0.341 175.574 175.900 0.025 0.000 1.217 497 Y CA -0.709 57.408 58.100 0.027 0.000 1.506 497 Y CB 0.283 38.763 38.460 0.032 0.000 1.268 497 Y HN -0.157 nan 8.280 nan 0.000 0.561 498 V N 9.385 128.858 119.914 -0.735 0.000 2.370 498 V HA 0.286 4.411 4.120 0.007 0.000 0.283 498 V C -1.954 173.613 176.094 -0.878 0.000 1.023 498 V CA -2.147 59.815 62.300 -0.563 0.000 0.857 498 V CB 1.038 32.679 31.823 -0.302 0.000 0.985 498 V HN 0.772 nan 8.190 nan 0.000 0.443 499 P HA -0.075 nan 4.420 nan 0.000 0.269 499 P C -0.387 176.884 177.300 -0.047 0.000 1.185 499 P CA 0.227 63.248 63.100 -0.131 0.000 0.769 499 P CB 0.471 32.140 31.700 -0.052 0.000 0.809 500 K N 1.892 122.413 120.400 0.201 0.000 2.276 500 K HA 0.330 4.654 4.320 0.007 0.000 0.285 500 K C 0.278 177.064 176.600 0.310 0.000 1.062 500 K CA -0.297 56.122 56.287 0.221 0.000 0.918 500 K CB 0.228 32.888 32.500 0.267 0.000 1.055 500 K HN 0.505 nan 8.250 nan 0.000 0.477 501 E N 4.212 124.523 120.200 0.185 0.000 2.608 501 E HA -0.130 4.225 4.350 0.007 0.000 0.259 501 E C -0.421 176.259 176.600 0.133 0.000 0.951 501 E CA 0.139 56.658 56.400 0.198 0.000 0.945 501 E CB -0.042 29.726 29.700 0.114 0.000 0.916 501 E HN 0.518 nan 8.360 nan 0.000 0.477 502 F N 3.030 122.956 119.950 -0.040 0.000 2.629 502 F HA 0.147 4.678 4.527 0.007 0.000 0.377 502 F C 0.606 176.358 175.800 -0.079 0.000 1.101 502 F CA 0.769 58.599 58.000 -0.283 0.000 1.301 502 F CB 0.745 39.634 39.000 -0.185 0.000 1.062 502 F HN 0.558 nan 8.300 nan 0.000 0.583 503 N N 4.483 122.611 118.700 -0.953 0.000 2.448 503 N HA 0.385 5.129 4.740 0.007 0.000 0.279 503 N C 0.091 175.086 175.510 -0.858 0.000 1.025 503 N CA 0.092 52.765 53.050 -0.629 0.000 0.898 503 N CB 1.778 40.011 38.487 -0.425 0.000 1.303 503 N HN 0.732 nan 8.380 nan 0.000 0.495 504 A N 3.443 126.058 122.820 -0.341 0.000 1.898 504 A HA -0.076 4.249 4.320 0.007 0.000 0.216 504 A C 1.925 179.458 177.584 -0.085 0.000 1.181 504 A CA 2.228 54.248 52.037 -0.027 0.000 0.620 504 A CB -1.062 18.055 19.000 0.194 0.000 0.819 504 A HN 0.784 nan 8.150 nan 0.000 0.442 505 E N -0.626 119.494 120.200 -0.133 0.000 2.118 505 E HA -0.191 4.163 4.350 0.007 0.000 0.195 505 E C 1.901 178.345 176.600 -0.260 0.000 0.992 505 E CA 2.009 58.327 56.400 -0.136 0.000 0.804 505 E CB -1.729 27.899 29.700 -0.121 0.000 0.741 505 E HN 0.629 nan 8.360 nan 0.000 0.458 506 T N -0.652 113.639 114.554 -0.438 0.000 3.007 506 T HA 0.075 4.429 4.350 0.007 0.000 0.270 506 T C 0.514 174.653 174.700 -0.936 0.000 1.107 506 T CA 0.952 62.619 62.100 -0.721 0.000 1.118 506 T CB -0.221 68.055 68.868 -0.986 0.000 0.889 506 T HN 0.452 nan 8.240 nan 0.000 0.506 507 F N 1.339 121.148 119.950 -0.236 0.000 2.735 507 F HA 0.248 4.779 4.527 0.007 0.000 0.308 507 F C 0.918 176.719 175.800 0.003 0.000 1.112 507 F CA -0.958 56.994 58.000 -0.080 0.000 1.235 507 F CB -0.004 39.049 39.000 0.088 0.000 1.027 507 F HN -0.052 nan 8.300 nan 0.000 0.528 508 T N -1.595 112.907 114.554 -0.086 0.000 2.795 508 T HA 0.647 5.002 4.350 0.007 0.000 0.282 508 T C -0.661 173.930 174.700 -0.182 0.000 0.980 508 T CA -0.355 61.777 62.100 0.053 0.000 1.012 508 T CB 1.054 69.947 68.868 0.040 0.000 0.936 508 T HN -0.098 nan 8.240 nan 0.000 0.457 509 F N 1.102 121.188 119.950 0.226 0.000 2.522 509 F HA 0.574 5.105 4.527 0.007 0.000 0.324 509 F C 0.417 176.123 175.800 -0.156 0.000 1.077 509 F CA -1.100 57.022 58.000 0.203 0.000 0.944 509 F CB 1.630 40.923 39.000 0.489 0.000 1.175 509 F HN 0.633 nan 8.300 nan 0.000 0.468 510 H N -0.231 118.829 119.070 -0.016 0.000 2.616 510 H HA 0.576 5.136 4.556 0.007 0.000 0.353 510 H C 0.631 175.425 175.328 -0.891 0.000 1.170 510 H CA -0.483 55.380 56.048 -0.308 0.000 1.212 510 H CB 1.509 31.187 29.762 -0.141 0.000 1.653 510 H HN 0.694 nan 8.280 nan 0.000 0.537 511 A N 1.075 123.392 122.820 -0.838 0.000 2.139 511 A HA -0.219 4.106 4.320 0.007 0.000 0.221 511 A C 1.685 179.039 177.584 -0.384 0.000 1.159 511 A CA 1.728 53.270 52.037 -0.825 0.000 0.662 511 A CB -0.724 18.146 19.000 -0.216 0.000 0.796 511 A HN 0.911 nan 8.150 nan 0.000 0.463 512 D N -0.316 119.949 120.400 -0.225 0.000 2.354 512 D HA -0.125 4.519 4.640 0.007 0.000 0.216 512 D C 1.475 177.719 176.300 -0.093 0.000 0.970 512 D CA 1.223 55.155 54.000 -0.114 0.000 0.905 512 D CB -0.669 40.085 40.800 -0.077 0.000 0.903 512 D HN 0.342 nan 8.370 nan 0.000 0.508 513 I N 0.421 120.903 120.570 -0.145 0.000 3.291 513 I HA -0.091 4.083 4.170 0.007 0.000 0.279 513 I C 1.944 178.049 176.117 -0.020 0.000 1.294 513 I CA 0.197 61.476 61.300 -0.035 0.000 1.428 513 I CB -1.121 36.896 38.000 0.028 0.000 1.070 513 I HN 0.388 nan 8.210 nan 0.000 0.478 514 c N 0.111 118.681 118.600 -0.051 0.000 2.518 514 c HA 0.004 4.579 4.570 0.007 0.000 0.283 514 c C 2.890 176.974 174.090 -0.010 0.000 1.351 514 c CA 1.026 57.351 56.329 -0.005 0.000 1.745 514 c CB -1.287 41.233 42.510 0.017 0.000 2.107 514 c HN 0.704 nan 8.230 nan 0.000 0.502 515 T N -0.504 114.037 114.554 -0.021 0.000 3.023 515 T HA 0.125 4.480 4.350 0.007 0.000 0.266 515 T C 0.602 175.296 174.700 -0.010 0.000 1.093 515 T CA 0.491 62.582 62.100 -0.015 0.000 1.129 515 T CB -0.489 68.368 68.868 -0.019 0.000 0.899 515 T HN 0.378 nan 8.240 nan 0.000 0.491 516 L N 3.177 124.395 121.223 -0.007 0.000 2.467 516 L HA 0.269 4.613 4.340 0.007 0.000 0.270 516 L C 1.044 177.915 176.870 0.002 0.000 1.205 516 L CA -0.653 54.188 54.840 0.001 0.000 0.828 516 L CB 0.473 42.540 42.059 0.013 0.000 1.101 516 L HN 0.376 nan 8.230 nan 0.000 0.479 517 S N 0.613 116.315 115.700 0.003 0.000 2.603 517 S HA 0.103 4.578 4.470 0.007 0.000 0.268 517 S C 0.892 175.490 174.600 -0.003 0.000 1.317 517 S CA -0.797 57.403 58.200 -0.001 0.000 1.012 517 S CB 1.454 64.655 63.200 0.002 0.000 0.926 517 S HN 0.584 nan 8.310 nan 0.000 0.539 518 E N 1.694 121.884 120.200 -0.017 0.000 2.072 518 E HA -0.262 4.093 4.350 0.007 0.000 0.218 518 E C 1.788 178.377 176.600 -0.019 0.000 1.051 518 E CA 1.985 58.363 56.400 -0.036 0.000 0.880 518 E CB -0.624 29.049 29.700 -0.045 0.000 0.783 518 E HN 0.884 nan 8.360 nan 0.000 0.473 519 K N 0.265 120.667 120.400 0.002 0.000 2.173 519 K HA -0.206 4.119 4.320 0.007 0.000 0.207 519 K C 1.758 178.383 176.600 0.042 0.000 1.046 519 K CA 1.612 57.916 56.287 0.028 0.000 0.929 519 K CB 0.140 32.657 32.500 0.029 0.000 0.720 519 K HN 0.039 nan 8.250 nan 0.000 0.453 520 E N 0.226 120.446 120.200 0.034 0.000 2.190 520 E HA -0.093 4.261 4.350 0.007 0.000 0.191 520 E C 1.797 178.437 176.600 0.067 0.000 0.978 520 E CA 0.778 57.206 56.400 0.046 0.000 0.839 520 E CB 0.090 29.810 29.700 0.032 0.000 0.787 520 E HN 0.477 nan 8.360 nan 0.000 0.473 521 E N 1.408 121.640 120.200 0.054 0.000 2.028 521 E HA -0.177 4.178 4.350 0.007 0.000 0.191 521 E C 2.189 178.864 176.600 0.124 0.000 0.988 521 E CA 0.862 57.312 56.400 0.083 0.000 0.799 521 E CB -0.183 29.540 29.700 0.038 0.000 0.755 521 E HN 0.284 nan 8.360 nan 0.000 0.447 522 Q N 0.879 120.727 119.800 0.080 0.000 2.014 522 Q HA -0.189 4.155 4.340 0.007 0.000 0.207 522 Q C 2.440 178.588 176.000 0.246 0.000 0.993 522 Q CA 1.501 57.417 55.803 0.187 0.000 0.850 522 Q CB -0.422 28.410 28.738 0.157 0.000 0.916 522 Q HN 0.326 nan 8.270 nan 0.000 0.417 523 I N 0.711 121.382 120.570 0.169 0.000 2.530 523 I HA -0.298 3.876 4.170 0.007 0.000 0.257 523 I C 2.351 178.548 176.117 0.133 0.000 1.179 523 I CA 1.693 63.074 61.300 0.135 0.000 1.440 523 I CB -0.152 37.903 38.000 0.092 0.000 1.087 523 I HN 0.187 nan 8.210 nan 0.000 0.440 524 K N 0.860 121.356 120.400 0.159 0.000 2.137 524 K HA -0.084 4.241 4.320 0.007 0.000 0.202 524 K C 1.984 178.744 176.600 0.266 0.000 1.052 524 K CA 1.299 57.699 56.287 0.188 0.000 0.961 524 K CB -0.490 32.135 32.500 0.209 0.000 0.741 524 K HN 0.438 nan 8.250 nan 0.000 0.452 525 K N 0.510 121.084 120.400 0.289 0.000 2.031 525 K HA -0.074 4.250 4.320 0.007 0.000 0.205 525 K C 2.583 179.285 176.600 0.171 0.000 1.049 525 K CA 1.415 57.872 56.287 0.284 0.000 0.939 525 K CB 0.006 32.721 32.500 0.359 0.000 0.717 525 K HN 0.466 nan 8.250 nan 0.000 0.438 526 Q N 0.221 120.124 119.800 0.172 0.000 2.135 526 Q HA -0.136 4.209 4.340 0.007 0.000 0.204 526 Q C 1.982 178.023 176.000 0.069 0.000 0.981 526 Q CA 1.656 57.515 55.803 0.093 0.000 0.856 526 Q CB -0.238 28.554 28.738 0.091 0.000 0.902 526 Q HN 0.308 nan 8.270 nan 0.000 0.425 527 T N 0.849 115.451 114.554 0.080 0.000 2.821 527 T HA -0.101 4.253 4.350 0.007 0.000 0.267 527 T C 1.919 176.641 174.700 0.036 0.000 1.046 527 T CA 1.142 63.268 62.100 0.042 0.000 1.139 527 T CB -0.192 68.691 68.868 0.026 0.000 0.871 527 T HN 0.399 nan 8.240 nan 0.000 0.454 528 A N 1.242 124.113 122.820 0.086 0.000 1.930 528 A HA 0.019 4.344 4.320 0.007 0.000 0.217 528 A C 2.196 179.891 177.584 0.185 0.000 1.175 528 A CA 1.039 53.157 52.037 0.135 0.000 0.627 528 A CB -0.694 18.489 19.000 0.304 0.000 0.815 528 A HN 0.391 nan 8.150 nan 0.000 0.443 529 L N 0.032 121.310 121.223 0.092 0.000 2.017 529 L HA -0.094 4.250 4.340 0.007 0.000 0.208 529 L C 2.380 179.299 176.870 0.081 0.000 1.073 529 L CA 1.934 56.812 54.840 0.062 0.000 0.745 529 L CB -0.673 41.390 42.059 0.007 0.000 0.894 529 L HN 0.156 nan 8.230 nan 0.000 0.432 530 V N -0.315 119.635 119.914 0.060 0.000 2.407 530 V HA -0.199 3.925 4.120 0.007 0.000 0.248 530 V C 2.611 178.757 176.094 0.087 0.000 1.055 530 V CA 1.572 63.901 62.300 0.049 0.000 1.049 530 V CB -0.681 31.157 31.823 0.025 0.000 0.662 530 V HN 0.432 nan 8.190 nan 0.000 0.455 531 E N -0.185 120.078 120.200 0.106 0.000 2.204 531 E HA -0.145 4.210 4.350 0.007 0.000 0.194 531 E C 2.031 178.867 176.600 0.393 0.000 0.989 531 E CA 0.807 57.289 56.400 0.138 0.000 0.824 531 E CB -0.250 29.396 29.700 -0.089 0.000 0.756 531 E HN 0.476 nan 8.360 nan 0.000 0.477 532 L N 0.375 121.851 121.223 0.422 0.000 2.005 532 L HA -0.104 4.241 4.340 0.007 0.000 0.207 532 L C 2.220 179.225 176.870 0.226 0.000 1.072 532 L CA 1.368 56.410 54.840 0.337 0.000 0.744 532 L CB -0.726 41.428 42.059 0.159 0.000 0.895 532 L HN -0.119 nan 8.230 nan 0.000 0.433 533 V N -0.059 119.943 119.914 0.147 0.000 2.407 533 V HA -0.276 3.849 4.120 0.007 0.000 0.248 533 V C 2.514 178.689 176.094 0.134 0.000 1.055 533 V CA 1.881 64.239 62.300 0.096 0.000 1.049 533 V CB -0.764 31.082 31.823 0.038 0.000 0.662 533 V HN 0.449 nan 8.190 nan 0.000 0.455 534 K N -0.888 119.609 120.400 0.163 0.000 2.442 534 K HA -0.183 4.142 4.320 0.007 0.000 0.198 534 K C 1.972 178.800 176.600 0.380 0.000 1.044 534 K CA 1.128 57.542 56.287 0.211 0.000 0.948 534 K CB -0.126 32.475 32.500 0.168 0.000 0.762 534 K HN 0.588 nan 8.250 nan 0.000 0.472 535 H N 0.042 119.250 119.070 0.230 0.000 2.604 535 H HA 0.180 4.740 4.556 0.008 0.000 0.273 535 H C -0.192 175.235 175.328 0.165 0.000 0.971 535 H CA 0.525 56.707 56.048 0.222 0.000 1.249 535 H CB 0.770 30.694 29.762 0.269 0.000 1.449 535 H HN -0.238 nan 8.280 nan 0.000 0.512 536 K N 1.316 121.724 120.400 0.013 0.000 3.098 536 K HA 0.182 4.506 4.320 0.007 0.000 0.170 536 K C -2.369 174.239 176.600 0.013 0.000 1.106 536 K CA -1.416 54.827 56.287 -0.075 0.000 0.864 536 K CB 1.660 34.101 32.500 -0.098 0.000 1.047 536 K HN 0.252 nan 8.250 nan 0.000 0.609 537 P HA -0.158 nan 4.420 nan 0.000 0.219 537 P C 0.603 177.921 177.300 0.031 0.000 1.146 537 P CA 0.912 64.052 63.100 0.067 0.000 0.808 537 P CB 0.431 32.217 31.700 0.144 0.000 0.779 538 K N -0.158 120.251 120.400 0.016 0.000 2.525 538 K HA 0.167 4.491 4.320 0.007 0.000 0.192 538 K C 1.095 177.691 176.600 -0.007 0.000 1.029 538 K CA -0.034 56.255 56.287 0.003 0.000 1.029 538 K CB -0.437 32.060 32.500 -0.005 0.000 0.814 538 K HN 0.098 nan 8.250 nan 0.000 0.503 539 A N 2.355 125.170 122.820 -0.009 0.000 2.488 539 A HA 0.151 4.475 4.320 0.007 0.000 0.249 539 A C 0.710 178.287 177.584 -0.012 0.000 1.083 539 A CA -0.169 51.860 52.037 -0.013 0.000 0.768 539 A CB -0.102 18.890 19.000 -0.013 0.000 1.017 539 A HN 0.343 nan 8.150 nan 0.000 0.496 540 T N 0.703 115.249 114.554 -0.013 0.000 2.828 540 T HA 0.275 4.629 4.350 0.007 0.000 0.290 540 T C 1.006 175.698 174.700 -0.014 0.000 1.019 540 T CA -0.255 61.837 62.100 -0.013 0.000 1.031 540 T CB 0.751 69.613 68.868 -0.011 0.000 1.001 540 T HN 0.634 nan 8.240 nan 0.000 0.531 541 K N 0.386 120.777 120.400 -0.015 0.000 2.074 541 K HA -0.149 4.175 4.320 0.007 0.000 0.209 541 K C 2.357 178.951 176.600 -0.010 0.000 1.048 541 K CA 1.612 57.889 56.287 -0.015 0.000 0.926 541 K CB -0.081 32.410 32.500 -0.015 0.000 0.713 541 K HN 0.614 nan 8.250 nan 0.000 0.444 542 E N 1.218 121.414 120.200 -0.008 0.000 2.023 542 E HA -0.236 4.118 4.350 0.007 0.000 0.196 542 E C 2.111 178.708 176.600 -0.005 0.000 1.003 542 E CA 1.433 57.830 56.400 -0.005 0.000 0.809 542 E CB -0.380 29.317 29.700 -0.005 0.000 0.755 542 E HN 0.425 nan 8.360 nan 0.000 0.449 543 Q N 0.073 119.868 119.800 -0.008 0.000 2.045 543 Q HA -0.188 4.156 4.340 0.007 0.000 0.206 543 Q C 2.359 178.354 176.000 -0.008 0.000 0.991 543 Q CA 1.205 57.002 55.803 -0.010 0.000 0.851 543 Q CB -0.295 28.434 28.738 -0.015 0.000 0.911 543 Q HN 0.119 nan 8.270 nan 0.000 0.418 544 L N 1.258 122.476 121.223 -0.009 0.000 1.989 544 L HA -0.225 4.120 4.340 0.007 0.000 0.211 544 L C 2.362 179.233 176.870 0.001 0.000 1.071 544 L CA 1.949 56.785 54.840 -0.007 0.000 0.749 544 L CB -0.755 41.297 42.059 -0.012 0.000 0.890 544 L HN 0.142 nan 8.230 nan 0.000 0.431 545 K N -0.144 120.257 120.400 0.002 0.000 2.218 545 K HA -0.165 4.159 4.320 0.007 0.000 0.205 545 K C 1.857 178.470 176.600 0.021 0.000 1.046 545 K CA 1.644 57.938 56.287 0.012 0.000 0.933 545 K CB -0.366 32.139 32.500 0.008 0.000 0.728 545 K HN 0.294 nan 8.250 nan 0.000 0.454 546 A N 0.145 122.973 122.820 0.013 0.000 1.854 546 A HA -0.051 4.274 4.320 0.007 0.000 0.214 546 A C 2.328 179.928 177.584 0.028 0.000 1.192 546 A CA 1.633 53.679 52.037 0.016 0.000 0.611 546 A CB -0.831 18.171 19.000 0.004 0.000 0.832 546 A HN 0.108 nan 8.150 nan 0.000 0.442 547 V N 0.434 120.360 119.914 0.021 0.000 2.287 547 V HA -0.364 3.760 4.120 0.007 0.000 0.248 547 V C 2.708 178.856 176.094 0.089 0.000 1.053 547 V CA 2.391 64.711 62.300 0.034 0.000 1.027 547 V CB -0.842 30.981 31.823 -0.000 0.000 0.646 547 V HN 0.562 nan 8.190 nan 0.000 0.447 548 M N -0.456 119.188 119.600 0.074 0.000 2.108 548 M HA -0.223 4.262 4.480 0.007 0.000 0.261 548 M C 1.947 178.349 176.300 0.169 0.000 1.066 548 M CA 2.029 57.404 55.300 0.123 0.000 1.107 548 M CB -0.765 31.879 32.600 0.074 0.000 1.356 548 M HN 0.340 nan 8.290 nan 0.000 0.406 549 D N 0.629 121.093 120.400 0.106 0.000 2.084 549 D HA -0.135 4.509 4.640 0.007 0.000 0.196 549 D C 1.581 177.938 176.300 0.094 0.000 0.985 549 D CA 1.252 55.305 54.000 0.088 0.000 0.826 549 D CB -0.353 40.478 40.800 0.052 0.000 0.978 549 D HN 0.210 nan 8.370 nan 0.000 0.456 550 D N -0.498 119.954 120.400 0.086 0.000 2.106 550 D HA -0.181 4.463 4.640 0.007 0.000 0.191 550 D C 1.762 178.134 176.300 0.120 0.000 0.997 550 D CA 0.640 54.683 54.000 0.071 0.000 0.834 550 D CB -0.462 40.364 40.800 0.044 0.000 0.956 550 D HN 0.125 nan 8.370 nan 0.000 0.448 551 F N 1.369 121.333 119.950 0.023 0.000 2.025 551 F HA -0.250 4.281 4.527 0.008 0.000 0.297 551 F C 2.277 178.141 175.800 0.107 0.000 1.132 551 F CA 2.042 60.087 58.000 0.075 0.000 1.191 551 F CB -0.793 38.231 39.000 0.040 0.000 0.963 551 F HN -0.017 nan 8.300 nan 0.000 0.481 552 A N 0.540 123.478 122.820 0.197 0.000 1.923 552 A HA -0.341 3.984 4.320 0.007 0.000 0.222 552 A C 2.414 179.951 177.584 -0.078 0.000 1.258 552 A CA 3.090 55.164 52.037 0.063 0.000 0.670 552 A CB -1.836 17.236 19.000 0.120 0.000 0.834 552 A HN 0.677 nan 8.150 nan 0.000 0.470 553 A N -1.231 121.569 122.820 -0.033 0.000 1.834 553 A HA -0.014 4.311 4.320 0.007 0.000 0.216 553 A C 1.962 179.470 177.584 -0.127 0.000 1.203 553 A CA 1.943 53.945 52.037 -0.058 0.000 0.621 553 A CB -1.100 17.890 19.000 -0.016 0.000 0.841 553 A HN 1.058 nan 8.150 nan 0.000 0.446 554 F N 0.906 120.679 119.950 -0.295 0.000 2.068 554 F HA -0.334 4.197 4.527 0.007 0.000 0.289 554 F C 2.098 177.570 175.800 -0.546 0.000 1.089 554 F CA 2.227 59.977 58.000 -0.416 0.000 1.263 554 F CB -1.156 37.551 39.000 -0.488 0.000 0.955 554 F HN 0.058 nan 8.300 nan 0.000 0.501 555 V N 0.248 119.691 119.914 -0.785 0.000 2.232 555 V HA -0.330 3.795 4.120 0.007 0.000 0.241 555 V C 2.740 178.566 176.094 -0.447 0.000 1.036 555 V CA 3.321 65.185 62.300 -0.726 0.000 0.993 555 V CB -1.797 29.730 31.823 -0.494 0.000 0.639 555 V HN 0.582 nan 8.190 nan 0.000 0.459 556 E N 0.255 120.299 120.200 -0.260 0.000 2.132 556 E HA -0.424 3.931 4.350 0.007 0.000 0.218 556 E C 2.247 178.733 176.600 -0.190 0.000 1.058 556 E CA 2.500 58.801 56.400 -0.165 0.000 0.882 556 E CB -0.957 28.677 29.700 -0.109 0.000 0.774 556 E HN 0.500 nan 8.360 nan 0.000 0.467 557 K N -0.196 120.072 120.400 -0.220 0.000 2.034 557 K HA -0.141 4.183 4.320 0.007 0.000 0.214 557 K C 2.299 178.736 176.600 -0.271 0.000 1.051 557 K CA 1.845 58.011 56.287 -0.202 0.000 0.931 557 K CB -1.032 31.368 32.500 -0.168 0.000 0.715 557 K HN 0.566 nan 8.250 nan 0.000 0.446 558 c N 0.124 118.415 118.600 -0.516 0.000 2.472 558 c HA 0.007 4.581 4.570 0.007 0.000 0.278 558 c C 2.176 176.112 174.090 -0.256 0.000 1.447 558 c CA 0.064 56.016 56.329 -0.628 0.000 1.773 558 c CB -1.005 40.498 42.510 -1.679 0.000 1.793 558 c HN 0.517 nan 8.230 nan 0.000 0.544 559 c N 0.167 118.679 118.600 -0.147 0.000 2.688 559 c HA 0.134 4.708 4.570 0.007 0.000 0.297 559 c C 1.752 175.834 174.090 -0.013 0.000 1.308 559 c CA 0.238 56.585 56.329 0.030 0.000 1.726 559 c CB -1.472 41.068 42.510 0.050 0.000 1.982 559 c HN 0.536 nan 8.230 nan 0.000 0.604 560 K N 0.139 120.511 120.400 -0.047 0.000 2.644 560 K HA 0.642 4.966 4.320 0.007 0.000 0.198 560 K C -0.247 176.334 176.600 -0.031 0.000 1.113 560 K CA 0.519 56.785 56.287 -0.036 0.000 1.073 560 K CB 0.470 32.941 32.500 -0.048 0.000 0.811 560 K HN 0.474 nan 8.250 nan 0.000 0.508 561 A N -0.123 122.681 122.820 -0.026 0.000 2.475 561 A HA 0.695 5.019 4.320 0.007 0.000 0.301 561 A C -0.164 177.422 177.584 0.004 0.000 1.059 561 A CA -0.020 52.006 52.037 -0.018 0.000 0.710 561 A CB 1.190 20.168 19.000 -0.037 0.000 1.288 561 A HN 0.524 nan 8.150 nan 0.000 0.408 562 D N -0.031 120.373 120.400 0.007 0.000 2.364 562 D HA 0.445 5.090 4.640 0.007 0.000 0.236 562 D C 0.856 177.173 176.300 0.028 0.000 1.221 562 D CA 1.358 55.367 54.000 0.017 0.000 0.891 562 D CB -0.270 40.537 40.800 0.012 0.000 1.190 562 D HN 2.248 nan 8.370 nan 0.000 0.449 563 D N 0.091 120.513 120.400 0.035 0.000 2.697 563 D HA -0.212 4.432 4.640 0.007 0.000 0.235 563 D C 1.440 177.785 176.300 0.074 0.000 1.167 563 D CA 1.330 55.359 54.000 0.048 0.000 0.656 563 D CB -1.754 39.070 40.800 0.041 0.000 1.025 563 D HN 0.550 nan 8.370 nan 0.000 0.419 564 K N -0.173 120.281 120.400 0.091 0.000 2.013 564 K HA -0.253 4.072 4.320 0.007 0.000 0.225 564 K C 2.122 178.863 176.600 0.235 0.000 1.056 564 K CA 2.012 58.400 56.287 0.169 0.000 0.971 564 K CB -0.644 31.956 32.500 0.166 0.000 0.731 564 K HN 0.713 nan 8.250 nan 0.000 0.450 565 E N 0.238 120.541 120.200 0.171 0.000 2.164 565 E HA -0.254 4.100 4.350 0.007 0.000 0.206 565 E C 2.099 178.804 176.600 0.175 0.000 1.032 565 E CA 2.928 59.428 56.400 0.168 0.000 0.832 565 E CB -0.693 29.074 29.700 0.113 0.000 0.742 565 E HN 0.570 nan 8.360 nan 0.000 0.460 566 T N -0.125 114.507 114.554 0.129 0.000 2.622 566 T HA -0.266 4.089 4.350 0.007 0.000 0.266 566 T C 2.298 177.069 174.700 0.118 0.000 1.047 566 T CA 2.229 64.392 62.100 0.104 0.000 1.159 566 T CB -1.394 nan 68.868 nan 0.000 0.863 566 T HN 0.381 nan 8.240 nan 0.000 0.422 567 c N 0.047 118.707 118.600 0.100 0.000 2.359 567 c HA -0.138 4.436 4.570 0.007 0.000 0.279 567 c C 2.398 176.540 174.090 0.086 0.000 1.191 567 c CA 1.373 57.725 56.329 0.039 0.000 1.764 567 c CB -1.718 40.748 42.510 -0.072 0.000 2.026 567 c HN 0.613 nan 8.230 nan 0.000 0.442 568 F N 1.318 121.296 119.950 0.046 0.000 2.236 568 F HA -0.132 4.399 4.527 0.007 0.000 0.302 568 F C 2.411 178.350 175.800 0.231 0.000 1.073 568 F CA 1.690 59.764 58.000 0.123 0.000 1.336 568 F CB -0.480 38.528 39.000 0.012 0.000 1.040 568 F HN 0.381 nan 8.300 nan 0.000 0.507 569 A N -0.488 122.505 122.820 0.288 0.000 1.997 569 A HA 0.103 4.427 4.320 0.007 0.000 0.212 569 A C 2.065 179.741 177.584 0.154 0.000 1.178 569 A CA 1.144 53.295 52.037 0.190 0.000 0.698 569 A CB -0.952 18.125 19.000 0.129 0.000 0.842 569 A HN 0.319 nan 8.150 nan 0.000 0.458 570 E N 0.594 120.877 120.200 0.138 0.000 2.008 570 E HA -0.168 4.186 4.350 0.007 0.000 0.191 570 E C 1.771 178.422 176.600 0.084 0.000 0.986 570 E CA 1.358 57.813 56.400 0.092 0.000 0.807 570 E CB -0.718 29.024 29.700 0.070 0.000 0.766 570 E HN 0.538 nan 8.360 nan 0.000 0.450 571 E N 0.411 120.685 120.200 0.122 0.000 2.153 571 E HA -0.073 4.281 4.350 0.007 0.000 0.194 571 E C 2.389 178.945 176.600 -0.074 0.000 0.988 571 E CA 0.981 57.425 56.400 0.073 0.000 0.811 571 E CB -0.933 28.912 29.700 0.241 0.000 0.746 571 E HN 0.536 nan 8.360 nan 0.000 0.466 572 G N 1.825 110.680 108.800 0.091 0.000 2.529 572 G HA2 -0.425 3.540 3.960 0.007 0.000 0.219 572 G HA3 -0.425 3.540 3.960 0.007 0.000 0.219 572 G C 1.935 176.836 174.900 0.002 0.000 1.177 572 G CA 2.692 47.814 45.100 0.037 0.000 0.773 572 G HN 0.499 nan 8.290 nan 0.000 0.573 573 K N 0.716 121.143 120.400 0.046 0.000 2.009 573 K HA -0.063 4.261 4.320 0.007 0.000 0.210 573 K C 2.348 178.940 176.600 -0.012 0.000 1.049 573 K CA 2.033 58.342 56.287 0.037 0.000 0.929 573 K CB -0.806 nan 32.500 nan 0.000 0.714 573 K HN 0.462 nan 8.250 nan 0.000 0.440 574 K N -0.550 119.827 120.400 -0.038 0.000 2.020 574 K HA -0.128 4.197 4.320 0.007 0.000 0.212 574 K C 2.268 178.809 176.600 -0.099 0.000 1.050 574 K CA 1.554 57.804 56.287 -0.062 0.000 0.929 574 K CB -0.422 32.042 32.500 -0.060 0.000 0.714 574 K HN 0.243 nan 8.250 nan 0.000 0.443 575 L N 0.989 122.099 121.223 -0.189 0.000 1.956 575 L HA -0.237 4.108 4.340 0.007 0.000 0.216 575 L C 2.176 178.984 176.870 -0.103 0.000 1.073 575 L CA 1.604 56.317 54.840 -0.212 0.000 0.762 575 L CB -0.692 41.093 42.059 -0.457 0.000 0.889 575 L HN -0.022 nan 8.230 nan 0.000 0.433 576 V N 0.044 119.929 119.914 -0.049 0.000 2.317 576 V HA -0.397 3.728 4.120 0.007 0.000 0.251 576 V C 2.711 178.778 176.094 -0.045 0.000 1.065 576 V CA 1.927 64.238 62.300 0.018 0.000 1.049 576 V CB -1.476 30.435 31.823 0.146 0.000 0.651 576 V HN 0.669 nan 8.190 nan 0.000 0.450 577 A N -0.211 122.579 122.820 -0.050 0.000 1.845 577 A HA -0.097 4.227 4.320 0.007 0.000 0.215 577 A C 2.457 179.998 177.584 -0.071 0.000 1.195 577 A CA 2.227 54.223 52.037 -0.068 0.000 0.616 577 A CB -0.983 17.987 19.000 -0.049 0.000 0.832 577 A HN 0.590 nan 8.150 nan 0.000 0.443 578 A N -0.568 122.215 122.820 -0.062 0.000 1.883 578 A HA -0.107 4.218 4.320 0.007 0.000 0.217 578 A C 2.467 180.017 177.584 -0.057 0.000 1.186 578 A CA 2.267 54.271 52.037 -0.055 0.000 0.624 578 A CB -1.060 17.908 19.000 -0.053 0.000 0.822 578 A HN 0.466 nan 8.150 nan 0.000 0.444 579 S N -0.332 115.332 115.700 -0.061 0.000 2.370 579 S HA -0.233 4.242 4.470 0.007 0.000 0.226 579 S C 2.111 176.670 174.600 -0.067 0.000 1.033 579 S CA 1.618 59.782 58.200 -0.059 0.000 1.011 579 S CB -0.391 62.771 63.200 -0.063 0.000 0.852 579 S HN 0.679 nan 8.310 nan 0.000 0.457 580 Q N 0.531 120.278 119.800 -0.089 0.000 2.135 580 Q HA -0.099 4.246 4.340 0.007 0.000 0.204 580 Q C 2.501 178.452 176.000 -0.081 0.000 0.981 580 Q CA 1.434 57.175 55.803 -0.103 0.000 0.856 580 Q CB -0.349 28.276 28.738 -0.188 0.000 0.902 580 Q HN 0.620 nan 8.270 nan 0.000 0.425 581 A N 0.985 123.761 122.820 -0.073 0.000 1.898 581 A HA -0.059 4.265 4.320 0.007 0.000 0.216 581 A C 2.307 179.863 177.584 -0.046 0.000 1.181 581 A CA 1.395 53.398 52.037 -0.058 0.000 0.620 581 A CB -0.702 18.267 19.000 -0.051 0.000 0.819 581 A HN 0.390 nan 8.150 nan 0.000 0.442 582 A N -0.134 122.660 122.820 -0.043 0.000 1.940 582 A HA -0.013 4.311 4.320 0.007 0.000 0.219 582 A C 1.678 179.241 177.584 -0.035 0.000 1.176 582 A CA 1.391 53.407 52.037 -0.035 0.000 0.631 582 A CB -0.565 18.416 19.000 -0.031 0.000 0.814 582 A HN 0.490 nan 8.150 nan 0.000 0.446 583 L N 0.016 121.214 121.223 -0.042 0.000 2.737 583 L HA 0.322 4.666 4.340 0.007 0.000 0.236 583 L C 1.291 178.131 176.870 -0.051 0.000 1.219 583 L CA -0.177 54.637 54.840 -0.044 0.000 1.021 583 L CB -1.336 40.696 42.059 -0.045 0.000 1.291 583 L HN 0.508 nan 8.230 nan 0.000 0.470 584 G N 0.000 108.772 108.800 -0.046 0.000 5.446 584 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 584 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 584 G CA 0.000 45.073 45.100 -0.046 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925