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 1e7c_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YICENQDSIS SKLKEcCEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA 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 0.000 175.298 175.328 -0.050 0.000 0.993 3 H CA 0.000 55.980 56.048 -0.114 0.000 1.023 3 H CB 0.000 29.638 29.762 -0.207 0.000 1.292 4 K N 0.431 120.895 120.400 0.106 0.000 2.243 4 K HA 0.160 4.490 4.320 0.016 0.000 0.201 4 K C 0.905 177.548 176.600 0.071 0.000 1.051 4 K CA 1.410 57.735 56.287 0.063 0.000 0.970 4 K CB 0.457 32.981 32.500 0.040 0.000 0.755 4 K HN 0.341 nan 8.250 nan 0.000 0.465 5 S N 0.067 115.816 115.700 0.082 0.000 2.756 5 S HA 0.271 4.751 4.470 0.016 0.000 0.303 5 S C 0.318 174.981 174.600 0.105 0.000 1.135 5 S CA -0.587 57.654 58.200 0.067 0.000 1.066 5 S CB 1.301 64.502 63.200 0.002 0.000 1.008 5 S HN 0.465 nan 8.310 nan 0.000 0.482 6 E N 2.774 123.062 120.200 0.146 0.000 2.106 6 E HA -0.117 4.243 4.350 0.016 0.000 0.192 6 E C 1.661 178.377 176.600 0.193 0.000 0.984 6 E CA 1.406 57.926 56.400 0.199 0.000 0.806 6 E CB 0.113 29.934 29.700 0.202 0.000 0.750 6 E HN 0.678 nan 8.360 nan 0.000 0.458 7 V N 1.059 121.068 119.914 0.159 0.000 2.237 7 V HA -0.241 3.888 4.120 0.016 0.000 0.245 7 V C 2.517 178.646 176.094 0.059 0.000 1.046 7 V CA 1.833 64.226 62.300 0.155 0.000 1.007 7 V CB -1.263 30.633 31.823 0.122 0.000 0.638 7 V HN 0.293 nan 8.190 nan 0.000 0.445 8 A N -0.723 122.078 122.820 -0.032 0.000 1.986 8 A HA -0.315 4.015 4.320 0.016 0.000 0.220 8 A C 2.279 179.875 177.584 0.020 0.000 1.171 8 A CA 2.250 54.242 52.037 -0.076 0.000 0.640 8 A CB -1.057 17.884 19.000 -0.099 0.000 0.811 8 A HN 0.779 nan 8.150 nan 0.000 0.451 9 H N -0.708 118.310 119.070 -0.086 0.000 2.326 9 H HA -0.090 4.475 4.556 0.016 0.000 0.301 9 H C 2.175 177.475 175.328 -0.047 0.000 1.081 9 H CA 1.385 57.338 56.048 -0.159 0.000 1.334 9 H CB 0.086 29.645 29.762 -0.338 0.000 1.385 9 H HN 0.287 nan 8.280 nan 0.000 0.504 10 R N 0.115 120.613 120.500 -0.002 0.000 2.096 10 R HA -0.135 4.215 4.340 0.016 0.000 0.235 10 R C 2.281 178.596 176.300 0.024 0.000 1.127 10 R CA 0.706 56.814 56.100 0.013 0.000 0.968 10 R CB -1.366 29.052 30.300 0.196 0.000 0.861 10 R HN 0.339 nan 8.270 nan 0.000 0.440 11 F N 2.367 122.203 119.950 -0.191 0.000 2.051 11 F HA -0.181 4.356 4.527 0.016 0.000 0.296 11 F C 2.214 177.884 175.800 -0.217 0.000 1.122 11 F CA 1.640 59.409 58.000 -0.385 0.000 1.201 11 F CB -0.084 38.557 39.000 -0.598 0.000 0.978 11 F HN -0.116 nan 8.300 nan 0.000 0.472 12 K N -0.105 120.319 120.400 0.039 0.000 2.089 12 K HA -0.255 4.075 4.320 0.016 0.000 0.210 12 K C 1.476 178.015 176.600 -0.102 0.000 1.048 12 K CA 2.214 58.490 56.287 -0.018 0.000 0.926 12 K CB -0.648 31.842 32.500 -0.016 0.000 0.714 12 K HN 0.520 nan 8.250 nan 0.000 0.448 13 D N -0.494 119.813 120.400 -0.155 0.000 2.355 13 D HA -0.065 4.584 4.640 0.016 0.000 0.206 13 D C 1.709 177.944 176.300 -0.108 0.000 1.010 13 D CA 0.036 53.958 54.000 -0.130 0.000 0.875 13 D CB -0.113 40.594 40.800 -0.155 0.000 0.966 13 D HN -0.071 nan 8.370 nan 0.000 0.512 14 L N 0.781 121.933 121.223 -0.119 0.000 2.044 14 L HA 0.289 4.639 4.340 0.016 0.000 0.205 14 L C 1.250 178.037 176.870 -0.138 0.000 1.075 14 L CA 1.976 56.768 54.840 -0.081 0.000 0.747 14 L CB -1.152 40.909 42.059 0.003 0.000 0.903 14 L HN 0.419 nan 8.230 nan 0.000 0.435 15 G N -1.207 107.418 108.800 -0.293 0.000 2.650 15 G HA2 -0.179 3.791 3.960 0.016 0.000 0.686 15 G HA3 -0.179 3.791 3.960 0.016 0.000 0.686 15 G C 0.424 175.003 174.900 -0.534 0.000 1.205 15 G CA 0.075 44.970 45.100 -0.341 0.000 0.781 15 G HN 0.241 nan 8.290 nan 0.000 0.648 16 E N -0.068 119.784 120.200 -0.580 0.000 2.058 16 E HA -0.183 4.176 4.350 0.016 0.000 0.194 16 E C 2.116 178.668 176.600 -0.080 0.000 0.997 16 E CA 1.811 57.938 56.400 -0.455 0.000 0.801 16 E CB -0.035 29.626 29.700 -0.064 0.000 0.746 16 E HN 0.516 nan 8.360 nan 0.000 0.450 17 E N 0.723 120.899 120.200 -0.040 0.000 2.038 17 E HA -0.186 4.174 4.350 0.016 0.000 0.195 17 E C 1.878 178.502 176.600 0.039 0.000 1.000 17 E CA 1.039 57.454 56.400 0.026 0.000 0.803 17 E CB -0.443 29.270 29.700 0.022 0.000 0.750 17 E HN 0.383 nan 8.360 nan 0.000 0.448 18 N N 0.119 118.826 118.700 0.012 0.000 2.216 18 N HA -0.114 4.635 4.740 0.016 0.000 0.183 18 N C 1.844 177.384 175.510 0.049 0.000 1.017 18 N CA 0.471 53.536 53.050 0.025 0.000 0.861 18 N CB -0.414 38.077 38.487 0.007 0.000 0.986 18 N HN 0.108 nan 8.380 nan 0.000 0.428 19 F N 2.598 122.473 119.950 -0.126 0.000 2.069 19 F HA -0.172 4.364 4.527 0.016 0.000 0.298 19 F C 2.232 178.045 175.800 0.022 0.000 1.113 19 F CA 1.594 59.545 58.000 -0.080 0.000 1.214 19 F CB -0.105 38.774 39.000 -0.202 0.000 0.978 19 F HN -0.143 nan 8.300 nan 0.000 0.474 20 K N 0.120 120.621 120.400 0.169 0.000 2.032 20 K HA -0.173 4.156 4.320 0.016 0.000 0.209 20 K C 2.277 178.890 176.600 0.021 0.000 1.048 20 K CA 1.460 57.807 56.287 0.100 0.000 0.927 20 K CB -0.629 31.974 32.500 0.172 0.000 0.712 20 K HN 0.379 nan 8.250 nan 0.000 0.441 21 A N 0.864 123.706 122.820 0.036 0.000 1.969 21 A HA -0.096 4.234 4.320 0.016 0.000 0.218 21 A C 2.061 179.646 177.584 0.002 0.000 1.169 21 A CA 1.172 53.234 52.037 0.042 0.000 0.635 21 A CB -0.440 18.596 19.000 0.059 0.000 0.810 21 A HN 0.165 nan 8.150 nan 0.000 0.445 22 L N -0.811 120.375 121.223 -0.061 0.000 2.131 22 L HA -0.096 4.254 4.340 0.016 0.000 0.206 22 L C 2.478 179.259 176.870 -0.149 0.000 1.087 22 L CA 0.603 55.381 54.840 -0.104 0.000 0.767 22 L CB -0.308 41.671 42.059 -0.133 0.000 0.917 22 L HN 0.230 nan 8.230 nan 0.000 0.441 23 V N 0.070 119.850 119.914 -0.222 0.000 2.287 23 V HA -0.318 3.812 4.120 0.016 0.000 0.248 23 V C 2.400 178.506 176.094 0.020 0.000 1.053 23 V CA 1.894 64.085 62.300 -0.181 0.000 1.027 23 V CB -0.457 31.246 31.823 -0.199 0.000 0.646 23 V HN 0.351 nan 8.190 nan 0.000 0.447 24 L N 0.168 121.423 121.223 0.054 0.000 1.989 24 L HA -0.187 4.162 4.340 0.016 0.000 0.211 24 L C 2.239 179.164 176.870 0.092 0.000 1.071 24 L CA 2.068 56.972 54.840 0.108 0.000 0.749 24 L CB -0.510 41.620 42.059 0.119 0.000 0.890 24 L HN 0.241 nan 8.230 nan 0.000 0.431 25 I N -0.262 120.344 120.570 0.059 0.000 2.264 25 I HA -0.324 3.856 4.170 0.016 0.000 0.248 25 I C 2.622 178.755 176.117 0.027 0.000 1.111 25 I CA 1.155 62.485 61.300 0.050 0.000 1.382 25 I CB -0.837 37.181 38.000 0.030 0.000 1.060 25 I HN 0.437 nan 8.210 nan 0.000 0.418 26 A N 0.961 123.766 122.820 -0.025 0.000 1.877 26 A HA -0.194 4.136 4.320 0.016 0.000 0.216 26 A C 2.072 179.689 177.584 0.054 0.000 1.186 26 A CA 1.556 53.562 52.037 -0.051 0.000 0.620 26 A CB -0.924 17.921 19.000 -0.259 0.000 0.822 26 A HN 0.305 nan 8.150 nan 0.000 0.443 27 F N 0.120 120.085 119.950 0.025 0.000 2.186 27 F HA -0.004 4.533 4.527 0.016 0.000 0.299 27 F C 2.755 178.420 175.800 -0.224 0.000 1.090 27 F CA 0.683 58.611 58.000 -0.119 0.000 1.307 27 F CB -0.550 38.256 39.000 -0.323 0.000 1.019 27 F HN 0.253 nan 8.300 nan 0.000 0.489 28 A N -0.626 122.161 122.820 -0.054 0.000 1.972 28 A HA -0.203 4.127 4.320 0.016 0.000 0.219 28 A C 2.083 179.699 177.584 0.054 0.000 1.169 28 A CA 1.390 53.435 52.037 0.014 0.000 0.635 28 A CB -0.659 18.408 19.000 0.111 0.000 0.810 28 A HN 0.453 nan 8.150 nan 0.000 0.446 29 Q N -2.338 117.493 119.800 0.052 0.000 2.378 29 Q HA -0.078 4.272 4.340 0.016 0.000 0.205 29 Q C 1.265 177.199 176.000 -0.109 0.000 0.954 29 Q CA 1.066 56.841 55.803 -0.046 0.000 0.901 29 Q CB -0.054 28.638 28.738 -0.076 0.000 0.981 29 Q HN 0.867 nan 8.270 nan 0.000 0.483 30 Y N -0.674 119.611 120.300 -0.025 0.000 2.333 30 Y HA 0.031 4.591 4.550 0.016 0.000 0.287 30 Y C 0.636 176.490 175.900 -0.077 0.000 1.149 30 Y CA 0.020 58.095 58.100 -0.041 0.000 1.193 30 Y CB 0.453 38.894 38.460 -0.032 0.000 1.175 30 Y HN -0.040 nan 8.280 nan 0.000 0.518 31 L N 2.398 123.710 121.223 0.148 0.000 2.480 31 L HA 0.135 4.484 4.340 0.016 0.000 0.243 31 L C 0.679 177.759 176.870 0.351 0.000 1.315 31 L CA 0.366 55.274 54.840 0.113 0.000 1.231 31 L CB -0.430 41.762 42.059 0.222 0.000 1.444 31 L HN 0.348 nan 8.230 nan 0.000 0.409 32 Q N -0.490 119.472 119.800 0.270 0.000 2.515 32 Q HA -0.082 4.268 4.340 0.016 0.000 0.212 32 Q C 0.939 177.081 176.000 0.238 0.000 0.970 32 Q CA 0.609 56.538 55.803 0.210 0.000 0.941 32 Q CB 0.254 29.041 28.738 0.083 0.000 0.998 32 Q HN 0.543 nan 8.270 nan 0.000 0.518 33 Q N -0.810 119.213 119.800 0.372 0.000 2.378 33 Q HA 0.096 4.446 4.340 0.016 0.000 0.229 33 Q C 0.481 176.559 176.000 0.129 0.000 0.882 33 Q CA 0.152 56.052 55.803 0.162 0.000 0.936 33 Q CB 0.543 29.227 28.738 -0.090 0.000 1.092 33 Q HN 0.281 nan 8.270 nan 0.000 0.535 34 C N 4.213 123.643 119.300 0.218 0.000 2.652 34 C HA 0.253 4.723 4.460 0.016 0.000 0.412 34 C C -1.777 173.169 174.990 -0.075 0.000 1.294 34 C CA -0.853 58.176 59.018 0.018 0.000 2.127 34 C CB 0.391 28.100 27.740 -0.051 0.000 2.691 34 C HN 0.262 nan 8.230 nan 0.000 0.615 35 P HA 0.059 nan 4.420 nan 0.000 0.275 35 P C 0.545 177.629 177.300 -0.360 0.000 1.228 35 P CA -0.089 62.934 63.100 -0.128 0.000 0.786 35 P CB 0.376 32.015 31.700 -0.101 0.000 0.927 36 F N 2.877 122.447 119.950 -0.633 0.000 2.087 36 F HA -0.284 4.253 4.527 0.016 0.000 0.299 36 F C 1.748 177.269 175.800 -0.465 0.000 1.100 36 F CA 2.140 59.591 58.000 -0.915 0.000 1.226 36 F CB -0.627 37.851 39.000 -0.869 0.000 0.983 36 F HN 0.304 nan 8.300 nan 0.000 0.479 37 E N 0.062 120.067 120.200 -0.326 0.000 2.209 37 E HA -0.199 4.160 4.350 0.016 0.000 0.196 37 E C 1.804 178.202 176.600 -0.337 0.000 0.993 37 E CA 1.382 57.596 56.400 -0.311 0.000 0.819 37 E CB -0.471 29.151 29.700 -0.130 0.000 0.745 37 E HN 0.452 nan 8.360 nan 0.000 0.477 38 D N -0.437 119.751 120.400 -0.353 0.000 2.097 38 D HA -0.114 4.536 4.640 0.016 0.000 0.197 38 D C 1.736 177.864 176.300 -0.288 0.000 0.984 38 D CA 0.993 54.810 54.000 -0.304 0.000 0.826 38 D CB -0.135 40.478 40.800 -0.311 0.000 0.973 38 D HN 0.258 nan 8.370 nan 0.000 0.460 39 H N 0.114 118.987 119.070 -0.329 0.000 2.321 39 H HA -0.033 4.533 4.556 0.016 0.000 0.300 39 H C 2.413 177.522 175.328 -0.365 0.000 1.087 39 H CA 0.546 56.395 56.048 -0.331 0.000 1.319 39 H CB -0.702 28.921 29.762 -0.233 0.000 1.379 39 H HN -0.007 nan 8.280 nan 0.000 0.501 40 V N 1.078 120.761 119.914 -0.386 0.000 2.380 40 V HA -0.295 3.835 4.120 0.016 0.000 0.251 40 V C 2.538 178.515 176.094 -0.196 0.000 1.063 40 V CA 2.082 64.177 62.300 -0.340 0.000 1.055 40 V CB -0.446 31.101 31.823 -0.460 0.000 0.657 40 V HN 0.312 nan 8.190 nan 0.000 0.455 41 K N -0.387 119.892 120.400 -0.202 0.000 2.026 41 K HA -0.130 4.199 4.320 0.016 0.000 0.208 41 K C 2.059 178.573 176.600 -0.144 0.000 1.048 41 K CA 1.432 57.629 56.287 -0.149 0.000 0.929 41 K CB -0.203 32.206 32.500 -0.152 0.000 0.713 41 K HN 0.380 nan 8.250 nan 0.000 0.439 42 L N -0.014 121.082 121.223 -0.212 0.000 1.994 42 L HA -0.206 4.144 4.340 0.016 0.000 0.208 42 L C 2.284 179.068 176.870 -0.143 0.000 1.071 42 L CA 1.004 55.669 54.840 -0.293 0.000 0.745 42 L CB -0.550 41.108 42.059 -0.670 0.000 0.892 42 L HN 0.020 nan 8.230 nan 0.000 0.431 43 V N 0.376 120.238 119.914 -0.086 0.000 2.278 43 V HA -0.349 3.780 4.120 0.016 0.000 0.251 43 V C 2.287 178.435 176.094 0.090 0.000 1.062 43 V CA 2.126 64.457 62.300 0.052 0.000 1.038 43 V CB -0.754 31.093 31.823 0.040 0.000 0.646 43 V HN 0.504 nan 8.190 nan 0.000 0.447 44 N N -0.356 118.366 118.700 0.037 0.000 2.166 44 N HA -0.161 4.589 4.740 0.016 0.000 0.186 44 N C 1.911 177.467 175.510 0.077 0.000 1.019 44 N CA 1.406 54.493 53.050 0.061 0.000 0.856 44 N CB -0.239 38.257 38.487 0.015 0.000 0.993 44 N HN 0.608 nan 8.380 nan 0.000 0.426 45 E N 0.160 120.382 120.200 0.037 0.000 2.051 45 E HA -0.088 4.271 4.350 0.016 0.000 0.192 45 E C 1.849 178.524 176.600 0.124 0.000 0.991 45 E CA 0.792 57.217 56.400 0.041 0.000 0.799 45 E CB 0.167 29.849 29.700 -0.030 0.000 0.748 45 E HN 0.018 nan 8.360 nan 0.000 0.449 46 V N 0.458 120.472 119.914 0.168 0.000 2.358 46 V HA -0.226 3.904 4.120 0.016 0.000 0.246 46 V C 2.243 178.594 176.094 0.429 0.000 1.047 46 V CA 2.036 64.521 62.300 0.308 0.000 1.035 46 V CB -0.507 31.517 31.823 0.336 0.000 0.658 46 V HN 0.354 nan 8.190 nan 0.000 0.452 47 T N -0.675 114.119 114.554 0.399 0.000 2.746 47 T HA -0.161 4.199 4.350 0.016 0.000 0.267 47 T C 1.907 176.706 174.700 0.165 0.000 1.039 47 T CA 1.292 63.657 62.100 0.441 0.000 1.142 47 T CB -0.220 68.895 68.868 0.411 0.000 0.866 47 T HN 0.355 nan 8.240 nan 0.000 0.444 48 E N 0.496 120.780 120.200 0.141 0.000 2.150 48 E HA -0.002 4.357 4.350 0.016 0.000 0.193 48 E C 1.725 178.359 176.600 0.057 0.000 0.985 48 E CA 0.463 56.899 56.400 0.060 0.000 0.814 48 E CB -0.427 29.315 29.700 0.070 0.000 0.752 48 E HN 0.499 nan 8.360 nan 0.000 0.466 49 F N 1.509 121.452 119.950 -0.012 0.000 2.060 49 F HA -0.121 4.416 4.527 0.016 0.000 0.295 49 F C 2.193 177.937 175.800 -0.093 0.000 1.120 49 F CA 1.489 59.476 58.000 -0.021 0.000 1.205 49 F CB -0.810 38.213 39.000 0.038 0.000 0.986 49 F HN -0.001 nan 8.300 nan 0.000 0.470 50 A N 0.227 122.932 122.820 -0.192 0.000 1.915 50 A HA -0.340 3.990 4.320 0.016 0.000 0.220 50 A C 2.208 179.342 177.584 -0.750 0.000 1.198 50 A CA 2.447 54.179 52.037 -0.508 0.000 0.647 50 A CB -0.999 17.673 19.000 -0.547 0.000 0.825 50 A HN 0.438 nan 8.150 nan 0.000 0.456 51 K N -1.118 118.856 120.400 -0.710 0.000 2.209 51 K HA -0.066 4.263 4.320 0.016 0.000 0.204 51 K C 2.058 178.425 176.600 -0.388 0.000 1.048 51 K CA 1.671 57.591 56.287 -0.611 0.000 0.940 51 K CB -0.375 31.894 32.500 -0.386 0.000 0.729 51 K HN 0.536 nan 8.250 nan 0.000 0.451 52 T N -0.391 113.953 114.554 -0.350 0.000 2.777 52 T HA -0.133 4.227 4.350 0.016 0.000 0.266 52 T C 1.883 176.401 174.700 -0.302 0.000 1.040 52 T CA 1.324 63.264 62.100 -0.267 0.000 1.141 52 T CB -0.320 68.417 68.868 -0.219 0.000 0.868 52 T HN 0.311 nan 8.240 nan 0.000 0.444 53 c N 1.020 119.354 118.600 -0.443 0.000 2.440 53 c HA 0.029 4.608 4.570 0.016 0.000 0.278 53 c C 2.791 176.734 174.090 -0.246 0.000 1.295 53 c CA 0.019 56.135 56.329 -0.355 0.000 1.738 53 c CB -1.133 41.113 42.510 -0.440 0.000 1.987 53 c HN 0.342 nan 8.230 nan 0.000 0.492 54 V N 1.286 121.026 119.914 -0.290 0.000 2.594 54 V HA -0.179 3.951 4.120 0.016 0.000 0.253 54 V C 2.506 178.517 176.094 -0.139 0.000 1.069 54 V CA 2.107 64.284 62.300 -0.205 0.000 1.082 54 V CB -0.981 30.684 31.823 -0.263 0.000 0.680 54 V HN 0.633 nan 8.190 nan 0.000 0.469 55 A N -1.098 121.632 122.820 -0.150 0.000 2.030 55 A HA 0.060 4.389 4.320 0.016 0.000 0.215 55 A C 1.007 178.544 177.584 -0.078 0.000 1.164 55 A CA 0.997 52.974 52.037 -0.099 0.000 0.697 55 A CB 0.153 19.094 19.000 -0.098 0.000 0.827 55 A HN 0.495 nan 8.150 nan 0.000 0.457 56 D N -1.952 118.393 120.400 -0.092 0.000 2.351 56 D HA 0.373 5.023 4.640 0.016 0.000 0.235 56 D C 0.546 176.802 176.300 -0.074 0.000 1.331 56 D CA 0.545 54.506 54.000 -0.065 0.000 0.959 56 D CB 0.518 41.287 40.800 -0.051 0.000 1.432 56 D HN 0.118 nan 8.370 nan 0.000 0.544 57 E N 0.822 120.987 120.200 -0.058 0.000 2.455 57 E HA -0.115 4.245 4.350 0.016 0.000 0.202 57 E C 1.279 177.863 176.600 -0.027 0.000 1.045 57 E CA 1.508 57.879 56.400 -0.049 0.000 0.872 57 E CB -0.233 29.455 29.700 -0.020 0.000 0.792 57 E HN 0.340 nan 8.360 nan 0.000 0.542 58 S N -0.621 115.066 115.700 -0.022 0.000 2.517 58 S HA 0.495 4.975 4.470 0.016 0.000 0.214 58 S C 1.353 175.954 174.600 0.003 0.000 0.991 58 S CA 0.165 58.364 58.200 -0.002 0.000 0.906 58 S CB 0.358 63.559 63.200 0.001 0.000 0.789 58 S HN 0.862 nan 8.310 nan 0.000 0.513 59 A N 2.350 125.160 122.820 -0.017 0.000 2.587 59 A HA 0.392 4.722 4.320 0.016 0.000 0.235 59 A C 0.683 178.297 177.584 0.050 0.000 1.044 59 A CA 0.344 52.381 52.037 0.000 0.000 0.754 59 A CB -0.521 18.454 19.000 -0.042 0.000 0.968 59 A HN 0.589 nan 8.150 nan 0.000 0.509 60 E N 2.160 122.407 120.200 0.078 0.000 2.653 60 E HA 0.094 4.454 4.350 0.016 0.000 0.264 60 E C 0.928 177.646 176.600 0.197 0.000 0.949 60 E CA 0.570 57.035 56.400 0.109 0.000 0.953 60 E CB -0.422 29.333 29.700 0.092 0.000 0.925 60 E HN 1.002 nan 8.360 nan 0.000 0.475 61 N N -0.095 118.710 118.700 0.175 0.000 2.946 61 N HA -0.259 4.491 4.740 0.016 0.000 0.228 61 N C 1.324 177.043 175.510 0.348 0.000 0.873 61 N CA 1.472 54.667 53.050 0.241 0.000 1.029 61 N CB -2.140 36.483 38.487 0.227 0.000 1.047 61 N HN 0.730 nan 8.380 nan 0.000 0.612 62 c N 1.257 120.007 118.600 0.250 0.000 2.409 62 c HA -0.151 4.429 4.570 0.016 0.000 0.288 62 c C 2.175 176.332 174.090 0.111 0.000 1.395 62 c CA 1.419 57.806 56.329 0.098 0.000 1.792 62 c CB -1.333 41.138 42.510 -0.064 0.000 1.847 62 c HN 0.667 nan 8.230 nan 0.000 0.534 63 D N -0.091 120.381 120.400 0.120 0.000 2.305 63 D HA -0.031 4.618 4.640 0.016 0.000 0.206 63 D C 0.787 177.159 176.300 0.120 0.000 0.974 63 D CA 0.312 54.372 54.000 0.101 0.000 0.871 63 D CB -0.194 40.652 40.800 0.076 0.000 0.947 63 D HN 0.287 nan 8.370 nan 0.000 0.516 64 K N 1.070 121.559 120.400 0.148 0.000 2.397 64 K HA 0.077 4.407 4.320 0.016 0.000 0.265 64 K C 0.644 177.340 176.600 0.160 0.000 0.982 64 K CA 0.089 56.462 56.287 0.144 0.000 0.931 64 K CB 0.548 33.137 32.500 0.149 0.000 0.943 64 K HN 0.291 nan 8.250 nan 0.000 0.501 65 S N 1.082 116.874 115.700 0.152 0.000 2.603 65 S HA 0.117 4.597 4.470 0.016 0.000 0.268 65 S C 1.471 176.194 174.600 0.206 0.000 1.317 65 S CA -0.739 57.565 58.200 0.175 0.000 1.012 65 S CB 0.588 63.887 63.200 0.164 0.000 0.926 65 S HN 0.564 nan 8.310 nan 0.000 0.539 66 L N 0.802 122.154 121.223 0.215 0.000 2.046 66 L HA -0.111 4.239 4.340 0.016 0.000 0.208 66 L C 2.482 179.436 176.870 0.140 0.000 1.077 66 L CA 1.636 56.577 54.840 0.169 0.000 0.747 66 L CB -0.802 41.320 42.059 0.104 0.000 0.896 66 L HN 0.830 nan 8.230 nan 0.000 0.432 67 H N -1.152 117.982 119.070 0.105 0.000 2.387 67 H HA -0.135 4.431 4.556 0.016 0.000 0.299 67 H C 2.296 177.736 175.328 0.186 0.000 1.090 67 H CA 1.909 58.035 56.048 0.129 0.000 1.332 67 H CB -0.217 29.611 29.762 0.110 0.000 1.386 67 H HN 0.209 nan 8.280 nan 0.000 0.516 68 T N 0.374 115.091 114.554 0.272 0.000 2.732 68 T HA -0.066 4.294 4.350 0.016 0.000 0.261 68 T C 2.209 177.004 174.700 0.159 0.000 1.040 68 T CA 0.990 63.208 62.100 0.196 0.000 1.145 68 T CB -0.299 68.660 68.868 0.152 0.000 0.866 68 T HN 0.163 nan 8.240 nan 0.000 0.427 69 L N -0.036 121.283 121.223 0.160 0.000 2.017 69 L HA -0.057 4.292 4.340 0.016 0.000 0.208 69 L C 2.293 179.233 176.870 0.117 0.000 1.073 69 L CA 1.418 56.327 54.840 0.115 0.000 0.745 69 L CB -0.595 41.564 42.059 0.166 0.000 0.894 69 L HN 0.193 nan 8.230 nan 0.000 0.432 70 F N 0.982 120.916 119.950 -0.026 0.000 2.046 70 F HA -0.171 4.366 4.527 0.016 0.000 0.297 70 F C 2.301 178.032 175.800 -0.115 0.000 1.123 70 F CA 1.795 59.718 58.000 -0.129 0.000 1.199 70 F CB -0.805 38.028 39.000 -0.278 0.000 0.972 70 F HN -0.011 nan 8.300 nan 0.000 0.474 71 G N -0.385 108.453 108.800 0.062 0.000 2.442 71 G HA2 -0.292 3.677 3.960 0.016 0.000 0.219 71 G HA3 -0.292 3.677 3.960 0.016 0.000 0.219 71 G C 1.308 176.195 174.900 -0.022 0.000 1.141 71 G CA 1.145 46.261 45.100 0.027 0.000 0.763 71 G HN 0.365 nan 8.290 nan 0.000 0.554 72 D N 0.376 120.781 120.400 0.008 0.000 2.104 72 D HA -0.073 4.577 4.640 0.016 0.000 0.194 72 D C 2.346 178.601 176.300 -0.075 0.000 0.994 72 D CA 1.098 55.092 54.000 -0.011 0.000 0.830 72 D CB -0.143 40.650 40.800 -0.010 0.000 0.959 72 D HN 0.209 nan 8.370 nan 0.000 0.452 73 K N 0.127 120.458 120.400 -0.115 0.000 2.097 73 K HA -0.050 4.279 4.320 0.016 0.000 0.205 73 K C 1.893 178.376 176.600 -0.196 0.000 1.050 73 K CA 0.388 56.594 56.287 -0.134 0.000 0.938 73 K CB -0.488 31.978 32.500 -0.057 0.000 0.718 73 K HN -0.014 nan 8.250 nan 0.000 0.442 74 L N 0.203 121.239 121.223 -0.313 0.000 2.083 74 L HA -0.191 4.159 4.340 0.016 0.000 0.209 74 L C 1.748 178.480 176.870 -0.230 0.000 1.083 74 L CA 1.529 56.124 54.840 -0.408 0.000 0.752 74 L CB -0.563 40.981 42.059 -0.858 0.000 0.899 74 L HN 0.259 nan 8.230 nan 0.000 0.433 75 c N -1.731 116.804 118.600 -0.109 0.000 2.539 75 c HA 0.011 4.591 4.570 0.016 0.000 0.271 75 c C 2.490 176.566 174.090 -0.023 0.000 1.412 75 c CA 0.643 56.974 56.329 0.003 0.000 1.729 75 c CB -1.422 41.137 42.510 0.081 0.000 1.739 75 c HN 0.497 nan 8.230 nan 0.000 0.570 76 T N 0.548 115.061 114.554 -0.068 0.000 2.985 76 T HA -0.011 4.349 4.350 0.016 0.000 0.266 76 T C 0.895 175.560 174.700 -0.058 0.000 1.076 76 T CA 0.644 62.704 62.100 -0.066 0.000 1.135 76 T CB -0.008 68.802 68.868 -0.097 0.000 0.890 76 T HN 0.236 nan 8.240 nan 0.000 0.480 77 V N 2.721 122.596 119.914 -0.066 0.000 2.486 77 V HA 0.042 4.172 4.120 0.016 0.000 0.290 77 V C 1.573 177.670 176.094 0.006 0.000 0.991 77 V CA 0.124 62.404 62.300 -0.033 0.000 1.142 77 V CB 0.020 31.837 31.823 -0.010 0.000 0.926 77 V HN 0.464 nan 8.190 nan 0.000 0.472 78 A N 5.107 127.925 122.820 -0.003 0.000 1.902 78 A HA -0.124 4.206 4.320 0.016 0.000 0.217 78 A C 2.095 179.691 177.584 0.020 0.000 1.181 78 A CA 2.008 54.047 52.037 0.003 0.000 0.623 78 A CB -0.535 18.458 19.000 -0.012 0.000 0.818 78 A HN 0.894 nan 8.150 nan 0.000 0.443 79 T N -1.895 112.675 114.554 0.027 0.000 3.194 79 T HA 0.155 4.514 4.350 0.016 0.000 0.251 79 T C 1.426 176.174 174.700 0.079 0.000 1.132 79 T CA 0.603 62.718 62.100 0.025 0.000 1.028 79 T CB -0.226 68.636 68.868 -0.010 0.000 0.976 79 T HN 0.129 nan 8.240 nan 0.000 0.535 80 L N 1.980 123.290 121.223 0.144 0.000 2.010 80 L HA -0.205 4.144 4.340 0.016 0.000 0.219 80 L C 2.750 179.768 176.870 0.247 0.000 1.077 80 L CA 2.143 57.148 54.840 0.273 0.000 0.773 80 L CB -0.507 41.645 42.059 0.157 0.000 0.892 80 L HN 0.296 nan 8.230 nan 0.000 0.436 81 R N -0.825 119.749 120.500 0.123 0.000 2.075 81 R HA -0.127 4.223 4.340 0.016 0.000 0.232 81 R C 2.235 178.562 176.300 0.045 0.000 1.126 81 R CA 1.722 57.871 56.100 0.082 0.000 0.963 81 R CB -0.455 29.874 30.300 0.048 0.000 0.858 81 R HN 0.497 nan 8.270 nan 0.000 0.435 82 E N -0.215 119.996 120.200 0.018 0.000 2.106 82 E HA -0.104 4.255 4.350 0.016 0.000 0.192 82 E C 1.850 178.406 176.600 -0.073 0.000 0.984 82 E CA 1.712 58.099 56.400 -0.022 0.000 0.806 82 E CB -0.918 28.765 29.700 -0.027 0.000 0.750 82 E HN 0.621 nan 8.360 nan 0.000 0.458 83 T N -0.841 113.637 114.554 -0.128 0.000 2.939 83 T HA 0.078 4.437 4.350 0.016 0.000 0.254 83 T C 1.530 175.955 174.700 -0.458 0.000 1.041 83 T CA 1.194 63.074 62.100 -0.367 0.000 1.142 83 T CB -0.218 68.261 68.868 -0.649 0.000 0.874 83 T HN 0.603 nan 8.240 nan 0.000 0.452 84 Y N 0.652 120.960 120.300 0.014 0.000 2.462 84 Y HA 0.432 4.992 4.550 0.016 0.000 0.253 84 Y C 2.061 177.958 175.900 -0.005 0.000 1.095 84 Y CA -0.247 57.864 58.100 0.017 0.000 1.283 84 Y CB -0.263 38.222 38.460 0.043 0.000 1.138 84 Y HN 0.351 nan 8.280 nan 0.000 0.522 85 G N 1.199 110.069 108.800 0.117 0.000 2.620 85 G HA2 -0.533 3.437 3.960 0.016 0.000 0.315 85 G HA3 -0.533 3.437 3.960 0.016 0.000 0.315 85 G C 1.203 176.113 174.900 0.017 0.000 1.179 85 G CA 0.965 46.094 45.100 0.050 0.000 0.971 85 G HN 0.362 nan 8.290 nan 0.000 0.544 86 E N -0.050 120.127 120.200 -0.038 0.000 2.136 86 E HA -0.271 4.089 4.350 0.016 0.000 0.202 86 E C 2.593 179.039 176.600 -0.256 0.000 1.019 86 E CA 2.266 58.584 56.400 -0.137 0.000 0.819 86 E CB -0.224 29.368 29.700 -0.180 0.000 0.739 86 E HN 0.551 nan 8.360 nan 0.000 0.458 87 M N -0.182 119.265 119.600 -0.255 0.000 2.202 87 M HA -0.199 4.291 4.480 0.016 0.000 0.262 87 M C 2.045 178.374 176.300 0.048 0.000 1.063 87 M CA 1.762 56.968 55.300 -0.157 0.000 1.097 87 M CB -0.053 32.585 32.600 0.065 0.000 1.382 87 M HN 0.215 nan 8.290 nan 0.000 0.413 88 A N -0.015 122.844 122.820 0.065 0.000 2.070 88 A HA -0.167 4.163 4.320 0.016 0.000 0.220 88 A C 1.534 179.146 177.584 0.047 0.000 1.159 88 A CA 1.784 53.878 52.037 0.095 0.000 0.656 88 A CB -0.688 18.363 19.000 0.086 0.000 0.800 88 A HN 0.571 nan 8.150 nan 0.000 0.453 89 D N -0.629 119.768 120.400 -0.004 0.000 2.269 89 D HA -0.073 4.576 4.640 0.016 0.000 0.208 89 D C 1.794 178.071 176.300 -0.039 0.000 0.963 89 D CA 0.839 54.830 54.000 -0.014 0.000 0.864 89 D CB -0.407 40.381 40.800 -0.019 0.000 0.936 89 D HN 0.467 nan 8.370 nan 0.000 0.505 90 c N 0.377 118.924 118.600 -0.088 0.000 2.411 90 c HA -0.153 4.426 4.570 0.016 0.000 0.279 90 c C 2.838 176.790 174.090 -0.231 0.000 1.288 90 c CA 0.153 56.325 56.329 -0.262 0.000 1.764 90 c CB -1.038 41.051 42.510 -0.701 0.000 1.974 90 c HN 0.439 nan 8.230 nan 0.000 0.498 91 c N 1.054 119.617 118.600 -0.061 0.000 2.430 91 c HA 0.039 4.619 4.570 0.016 0.000 0.288 91 c C 2.784 176.881 174.090 0.013 0.000 1.448 91 c CA 0.930 57.283 56.329 0.040 0.000 1.784 91 c CB -1.792 40.787 42.510 0.116 0.000 1.776 91 c HN 0.723 nan 8.230 nan 0.000 0.547 92 A N 0.232 123.046 122.820 -0.010 0.000 2.123 92 A HA 0.046 4.375 4.320 0.016 0.000 0.214 92 A C 1.087 178.666 177.584 -0.008 0.000 1.152 92 A CA 0.517 52.553 52.037 -0.002 0.000 0.728 92 A CB -0.070 18.929 19.000 -0.002 0.000 0.814 92 A HN 0.672 nan 8.150 nan 0.000 0.464 93 K N -0.713 119.670 120.400 -0.029 0.000 2.127 93 K HA 0.551 4.881 4.320 0.016 0.000 0.240 93 K C 0.181 176.777 176.600 -0.006 0.000 1.024 93 K CA 0.066 56.339 56.287 -0.024 0.000 0.918 93 K CB 0.104 32.575 32.500 -0.047 0.000 1.108 93 K HN 0.242 nan 8.250 nan 0.000 0.485 94 Q N 0.937 120.739 119.800 0.003 0.000 2.222 94 Q HA 0.080 4.429 4.340 0.016 0.000 0.252 94 Q C 0.815 176.832 176.000 0.029 0.000 0.926 94 Q CA -0.451 55.364 55.803 0.020 0.000 0.899 94 Q CB 0.987 29.736 28.738 0.018 0.000 1.250 94 Q HN 0.697 nan 8.270 nan 0.000 0.441 95 E N 1.142 121.373 120.200 0.052 0.000 2.245 95 E HA -0.212 4.148 4.350 0.016 0.000 0.217 95 E C -0.808 175.829 176.600 0.062 0.000 1.069 95 E CA 2.774 59.220 56.400 0.078 0.000 0.877 95 E CB -1.122 28.632 29.700 0.089 0.000 0.757 95 E HN 0.721 nan 8.360 nan 0.000 0.464 96 P HA -0.115 nan 4.420 nan 0.000 0.213 96 P C 1.017 178.335 177.300 0.031 0.000 1.170 96 P CA 1.772 64.884 63.100 0.020 0.000 0.898 96 P CB -0.067 31.637 31.700 0.007 0.000 0.787 97 E N -0.877 119.333 120.200 0.017 0.000 2.112 97 E HA -0.085 4.275 4.350 0.016 0.000 0.190 97 E C 2.149 178.734 176.600 -0.025 0.000 0.979 97 E CA 0.552 56.954 56.400 0.004 0.000 0.814 97 E CB -0.636 29.059 29.700 -0.007 0.000 0.762 97 E HN 0.123 nan 8.360 nan 0.000 0.460 98 R N 0.973 121.448 120.500 -0.041 0.000 2.115 98 R HA -0.262 4.088 4.340 0.016 0.000 0.239 98 R C 2.038 178.222 176.300 -0.194 0.000 1.133 98 R CA 2.184 58.187 56.100 -0.161 0.000 0.935 98 R CB -0.381 29.888 30.300 -0.053 0.000 0.853 98 R HN 0.163 nan 8.270 nan 0.000 0.433 99 N N -0.324 118.455 118.700 0.132 0.000 2.166 99 N HA -0.212 4.537 4.740 0.016 0.000 0.186 99 N C 1.668 177.361 175.510 0.304 0.000 1.019 99 N CA 1.501 54.782 53.050 0.386 0.000 0.856 99 N CB -0.034 38.717 38.487 0.439 0.000 0.993 99 N HN 0.286 nan 8.380 nan 0.000 0.426 100 E N -0.085 120.218 120.200 0.171 0.000 2.110 100 E HA -0.151 4.209 4.350 0.016 0.000 0.193 100 E C 1.937 178.583 176.600 0.076 0.000 0.988 100 E CA 0.878 57.366 56.400 0.146 0.000 0.804 100 E CB -0.685 29.077 29.700 0.103 0.000 0.745 100 E HN 0.445 nan 8.360 nan 0.000 0.458 101 c N -0.432 118.159 118.600 -0.015 0.000 2.446 101 c HA -0.080 4.500 4.570 0.016 0.000 0.277 101 c C 2.278 176.400 174.090 0.053 0.000 1.275 101 c CA 0.667 56.955 56.329 -0.069 0.000 1.727 101 c CB -1.476 40.933 42.510 -0.169 0.000 2.010 101 c HN 0.490 nan 8.230 nan 0.000 0.486 102 F N 0.425 120.520 119.950 0.242 0.000 2.134 102 F HA -0.042 4.494 4.527 0.016 0.000 0.299 102 F C 2.131 178.091 175.800 0.266 0.000 1.097 102 F CA 1.055 59.250 58.000 0.324 0.000 1.264 102 F CB -1.263 37.981 39.000 0.407 0.000 1.001 102 F HN 0.103 nan 8.300 nan 0.000 0.479 103 L N 0.174 121.636 121.223 0.399 0.000 2.042 103 L HA -0.229 4.120 4.340 0.016 0.000 0.210 103 L C 2.347 179.256 176.870 0.065 0.000 1.076 103 L CA 1.702 56.654 54.840 0.187 0.000 0.749 103 L CB -1.388 40.749 42.059 0.130 0.000 0.893 103 L HN 0.239 nan 8.230 nan 0.000 0.432 104 Q N -1.122 118.663 119.800 -0.026 0.000 2.061 104 Q HA -0.191 4.158 4.340 0.016 0.000 0.204 104 Q C 0.978 176.864 176.000 -0.190 0.000 0.984 104 Q CA 1.419 57.109 55.803 -0.187 0.000 0.846 104 Q CB -0.106 28.393 28.738 -0.399 0.000 0.902 104 Q HN 0.590 nan 8.270 nan 0.000 0.421 105 H N 0.285 119.426 119.070 0.118 0.000 2.842 105 H HA 0.201 4.767 4.556 0.016 0.000 0.312 105 H C -0.366 175.015 175.328 0.088 0.000 1.137 105 H CA 0.317 56.433 56.048 0.113 0.000 1.176 105 H CB -0.261 29.587 29.762 0.143 0.000 1.361 105 H HN 0.042 nan 8.280 nan 0.000 0.557 106 K N 1.611 122.076 120.400 0.109 0.000 2.234 106 K HA 0.069 4.398 4.320 0.016 0.000 0.277 106 K C -0.306 176.306 176.600 0.019 0.000 1.038 106 K CA -0.526 55.750 56.287 -0.018 0.000 0.888 106 K CB 1.299 33.701 32.500 -0.162 0.000 1.091 106 K HN 0.152 nan 8.250 nan 0.000 0.467 107 D N 2.898 123.287 120.400 -0.018 0.000 2.339 107 D HA -0.033 4.617 4.640 0.016 0.000 0.241 107 D C 0.512 176.798 176.300 -0.024 0.000 1.183 107 D CA 0.195 54.205 54.000 0.017 0.000 0.859 107 D CB 1.241 42.058 40.800 0.027 0.000 1.067 107 D HN 0.584 nan 8.370 nan 0.000 0.484 108 D N 2.894 123.354 120.400 0.101 0.000 2.224 108 D HA -0.135 4.515 4.640 0.016 0.000 0.205 108 D C 0.300 176.636 176.300 0.060 0.000 0.965 108 D CA 0.870 54.968 54.000 0.163 0.000 0.852 108 D CB 0.164 41.167 40.800 0.337 0.000 0.947 108 D HN 0.433 nan 8.370 nan 0.000 0.494 109 N N 0.322 119.040 118.700 0.030 0.000 2.750 109 N HA 0.373 5.123 4.740 0.016 0.000 0.253 109 N C -2.795 172.705 175.510 -0.015 0.000 1.408 109 N CA -1.176 51.872 53.050 -0.004 0.000 0.780 109 N CB 0.492 38.988 38.487 0.015 0.000 1.191 109 N HN 0.017 nan 8.380 nan 0.000 0.511 110 P HA 0.254 nan 4.420 nan 0.000 0.272 110 P C -0.586 176.694 177.300 -0.033 0.000 1.240 110 P CA -0.131 62.952 63.100 -0.028 0.000 0.791 110 P CB 0.719 32.395 31.700 -0.040 0.000 0.978 111 N N 0.386 119.073 118.700 -0.022 0.000 2.955 111 N HA 0.332 5.081 4.740 0.016 0.000 0.242 111 N C -0.868 174.625 175.510 -0.029 0.000 1.123 111 N CA -0.231 52.804 53.050 -0.024 0.000 0.949 111 N CB -0.255 38.223 38.487 -0.014 0.000 1.214 111 N HN 0.232 nan 8.380 nan 0.000 0.504 112 L N 1.561 122.758 121.223 -0.042 0.000 2.322 112 L HA 0.661 5.011 4.340 0.016 0.000 0.269 112 L C -1.868 174.978 176.870 -0.040 0.000 1.012 112 L CA -1.986 52.828 54.840 -0.044 0.000 0.815 112 L CB 1.000 43.020 42.059 -0.065 0.000 1.295 112 L HN 0.250 nan 8.230 nan 0.000 0.438 113 P HA 0.188 nan 4.420 nan 0.000 0.271 113 P C -1.211 176.073 177.300 -0.026 0.000 1.218 113 P CA -0.655 62.431 63.100 -0.025 0.000 0.780 113 P CB 0.353 32.042 31.700 -0.019 0.000 0.901 114 R N 1.612 122.102 120.500 -0.017 0.000 2.570 114 R HA 0.199 4.548 4.340 0.016 0.000 0.277 114 R C -0.515 175.785 176.300 0.000 0.000 1.039 114 R CA -0.470 55.623 56.100 -0.010 0.000 1.065 114 R CB -0.287 30.012 30.300 -0.002 0.000 0.964 114 R HN 0.217 nan 8.270 nan 0.000 0.428 115 L N 4.744 125.972 121.223 0.008 0.000 2.385 115 L HA 0.118 4.467 4.340 0.016 0.000 0.281 115 L C -0.231 176.670 176.870 0.052 0.000 1.106 115 L CA -0.080 54.781 54.840 0.036 0.000 0.856 115 L CB 1.279 43.371 42.059 0.055 0.000 1.186 115 L HN 0.648 nan 8.230 nan 0.000 0.453 116 V N 2.945 122.894 119.914 0.058 0.000 2.607 116 V HA 0.474 4.603 4.120 0.016 0.000 0.289 116 V C 0.444 176.587 176.094 0.082 0.000 1.053 116 V CA -0.921 61.413 62.300 0.057 0.000 0.996 116 V CB 1.037 32.887 31.823 0.045 0.000 0.995 116 V HN 0.765 nan 8.190 nan 0.000 0.476 117 R N 4.517 125.055 120.500 0.063 0.000 2.248 117 R HA 0.430 4.780 4.340 0.016 0.000 0.328 117 R C -2.110 174.235 176.300 0.074 0.000 1.067 117 R CA -1.321 54.817 56.100 0.063 0.000 0.924 117 R CB 0.641 30.968 30.300 0.044 0.000 1.013 117 R HN 0.758 nan 8.270 nan 0.000 0.454 118 P HA 0.042 nan 4.420 nan 0.000 0.288 118 P C -0.862 176.485 177.300 0.077 0.000 1.291 118 P CA -0.318 62.839 63.100 0.096 0.000 0.766 118 P CB 0.470 32.250 31.700 0.134 0.000 1.242 119 E N -0.234 120.005 120.200 0.065 0.000 2.289 119 E HA 0.057 4.416 4.350 0.016 0.000 0.278 119 E C 1.426 178.061 176.600 0.057 0.000 1.032 119 E CA -0.253 56.178 56.400 0.051 0.000 0.854 119 E CB 0.913 30.635 29.700 0.036 0.000 1.046 119 E HN 0.050 nan 8.360 nan 0.000 0.409 120 V N 3.741 123.691 119.914 0.059 0.000 2.277 120 V HA -0.369 3.761 4.120 0.016 0.000 0.255 120 V C 1.308 177.434 176.094 0.054 0.000 1.074 120 V CA 2.528 64.871 62.300 0.070 0.000 1.058 120 V CB -0.502 31.351 31.823 0.051 0.000 0.656 120 V HN 0.654 nan 8.190 nan 0.000 0.449 121 D N -0.723 119.696 120.400 0.032 0.000 2.178 121 D HA -0.112 4.537 4.640 0.016 0.000 0.202 121 D C 1.987 178.287 176.300 -0.000 0.000 0.974 121 D CA 1.131 55.139 54.000 0.014 0.000 0.841 121 D CB -0.139 40.666 40.800 0.007 0.000 0.953 121 D HN 0.320 nan 8.370 nan 0.000 0.478 122 V N 0.321 120.240 119.914 0.008 0.000 2.379 122 V HA -0.205 3.925 4.120 0.016 0.000 0.245 122 V C 2.222 178.295 176.094 -0.035 0.000 1.044 122 V CA 1.234 63.534 62.300 0.000 0.000 1.036 122 V CB -0.319 31.521 31.823 0.028 0.000 0.664 122 V HN 0.253 nan 8.190 nan 0.000 0.453 123 M N -0.882 118.705 119.600 -0.022 0.000 2.059 123 M HA -0.236 4.254 4.480 0.016 0.000 0.259 123 M C 2.382 178.491 176.300 -0.319 0.000 1.072 123 M CA 2.155 57.378 55.300 -0.129 0.000 1.117 123 M CB -0.524 32.108 32.600 0.053 0.000 1.320 123 M HN 0.400 nan 8.290 nan 0.000 0.408 124 c N 0.026 118.567 118.600 -0.098 0.000 2.410 124 c HA -0.139 4.440 4.570 0.016 0.000 0.281 124 c C 2.691 176.780 174.090 -0.002 0.000 1.318 124 c CA 1.463 57.789 56.329 -0.005 0.000 1.776 124 c CB -1.216 41.340 42.510 0.077 0.000 1.942 124 c HN 0.607 nan 8.230 nan 0.000 0.508 125 T N 0.500 115.015 114.554 -0.064 0.000 2.937 125 T HA 0.020 4.379 4.350 0.016 0.000 0.260 125 T C 2.141 176.801 174.700 -0.067 0.000 1.051 125 T CA 1.238 63.307 62.100 -0.051 0.000 1.141 125 T CB -0.269 68.566 68.868 -0.055 0.000 0.879 125 T HN 0.609 nan 8.240 nan 0.000 0.459 126 A N 1.360 124.065 122.820 -0.192 0.000 1.898 126 A HA 0.010 4.339 4.320 0.016 0.000 0.216 126 A C 1.956 179.337 177.584 -0.337 0.000 1.181 126 A CA 1.104 52.997 52.037 -0.240 0.000 0.620 126 A CB -0.939 17.885 19.000 -0.293 0.000 0.819 126 A HN 0.410 nan 8.150 nan 0.000 0.442 127 F N 0.641 120.092 119.950 -0.833 0.000 2.043 127 F HA -0.258 4.279 4.527 0.016 0.000 0.297 127 F C 2.244 177.920 175.800 -0.206 0.000 1.121 127 F CA 2.313 59.918 58.000 -0.659 0.000 1.199 127 F CB -1.130 37.479 39.000 -0.651 0.000 0.968 127 F HN 0.556 nan 8.300 nan 0.000 0.478 128 H N -0.446 118.480 119.070 -0.241 0.000 2.319 128 H HA -0.166 4.400 4.556 0.016 0.000 0.297 128 H C 1.988 177.198 175.328 -0.196 0.000 1.097 128 H CA 2.338 58.234 56.048 -0.252 0.000 1.285 128 H CB -0.458 29.239 29.762 -0.108 0.000 1.368 128 H HN 0.278 nan 8.280 nan 0.000 0.495 129 D N 0.066 120.463 120.400 -0.005 0.000 2.083 129 D HA -0.130 4.520 4.640 0.016 0.000 0.199 129 D C 0.440 176.671 176.300 -0.114 0.000 0.980 129 D CA 1.101 55.082 54.000 -0.033 0.000 0.851 129 D CB -0.353 40.476 40.800 0.048 0.000 0.997 129 D HN 0.283 nan 8.370 nan 0.000 0.449 130 N N 0.734 119.398 118.700 -0.060 0.000 2.851 130 N HA 0.005 4.754 4.740 0.016 0.000 0.248 130 N C 0.497 176.019 175.510 0.020 0.000 1.221 130 N CA -0.031 53.006 53.050 -0.022 0.000 0.847 130 N CB 1.122 39.629 38.487 0.033 0.000 1.150 130 N HN 0.110 nan 8.380 nan 0.000 0.507 131 E N 1.430 121.581 120.200 -0.081 0.000 2.058 131 E HA -0.210 4.150 4.350 0.016 0.000 0.194 131 E C 0.954 177.654 176.600 0.166 0.000 0.997 131 E CA 1.296 57.669 56.400 -0.044 0.000 0.801 131 E CB 0.294 29.819 29.700 -0.293 0.000 0.746 131 E HN 0.555 nan 8.360 nan 0.000 0.450 132 E N -0.523 119.739 120.200 0.103 0.000 2.015 132 E HA -0.169 4.191 4.350 0.016 0.000 0.191 132 E C 2.258 178.957 176.600 0.164 0.000 0.991 132 E CA 1.898 58.379 56.400 0.135 0.000 0.802 132 E CB -0.176 29.583 29.700 0.097 0.000 0.759 132 E HN 0.443 nan 8.360 nan 0.000 0.447 133 T N -0.808 113.839 114.554 0.154 0.000 2.929 133 T HA -0.178 4.181 4.350 0.016 0.000 0.271 133 T C 1.724 176.472 174.700 0.079 0.000 1.085 133 T CA 0.974 63.164 62.100 0.150 0.000 1.125 133 T CB -0.436 68.516 68.868 0.141 0.000 0.874 133 T HN 0.156 nan 8.240 nan 0.000 0.494 134 F N 1.638 121.603 119.950 0.025 0.000 2.113 134 F HA 0.239 4.776 4.527 0.016 0.000 0.297 134 F C 1.862 177.718 175.800 0.093 0.000 1.103 134 F CA 0.808 58.832 58.000 0.041 0.000 1.248 134 F CB -0.372 38.675 39.000 0.078 0.000 0.999 134 F HN 0.122 nan 8.300 nan 0.000 0.475 135 L N -0.008 121.213 121.223 -0.003 0.000 2.131 135 L HA -0.124 4.226 4.340 0.016 0.000 0.206 135 L C 2.402 179.263 176.870 -0.014 0.000 1.087 135 L CA 0.798 55.598 54.840 -0.066 0.000 0.767 135 L CB -0.612 41.529 42.059 0.138 0.000 0.917 135 L HN -0.065 nan 8.230 nan 0.000 0.441 136 K N 0.223 120.662 120.400 0.066 0.000 2.155 136 K HA -0.109 4.221 4.320 0.016 0.000 0.203 136 K C 1.988 178.648 176.600 0.100 0.000 1.052 136 K CA 0.913 57.305 56.287 0.175 0.000 0.948 136 K CB -0.152 32.541 32.500 0.321 0.000 0.728 136 K HN 0.208 nan 8.250 nan 0.000 0.448 137 K N -0.173 120.023 120.400 -0.340 0.000 2.103 137 K HA -0.093 4.237 4.320 0.016 0.000 0.204 137 K C 1.891 178.238 176.600 -0.422 0.000 1.052 137 K CA 1.065 56.809 56.287 -0.905 0.000 0.945 137 K CB 0.009 31.896 32.500 -1.021 0.000 0.722 137 K HN 0.086 nan 8.250 nan 0.000 0.443 138 Y N 0.250 120.358 120.300 -0.320 0.000 2.420 138 Y HA -0.113 4.447 4.550 0.016 0.000 0.292 138 Y C 1.886 177.688 175.900 -0.164 0.000 1.119 138 Y CA 0.333 58.263 58.100 -0.284 0.000 1.229 138 Y CB 0.028 38.200 38.460 -0.481 0.000 1.026 138 Y HN -0.009 nan 8.280 nan 0.000 0.554 139 L N -0.680 120.577 121.223 0.057 0.000 2.027 139 L HA -0.221 4.129 4.340 0.016 0.000 0.206 139 L C 2.305 179.247 176.870 0.121 0.000 1.074 139 L CA 1.835 56.719 54.840 0.073 0.000 0.745 139 L CB -1.175 40.952 42.059 0.113 0.000 0.898 139 L HN 0.383 nan 8.230 nan 0.000 0.433 140 Y N 0.037 120.385 120.300 0.079 0.000 2.274 140 Y HA -0.177 4.383 4.550 0.016 0.000 0.290 140 Y C 2.194 178.137 175.900 0.072 0.000 1.145 140 Y CA 1.855 60.045 58.100 0.150 0.000 1.203 140 Y CB -0.180 38.509 38.460 0.382 0.000 0.984 140 Y HN 0.292 nan 8.280 nan 0.000 0.533 141 E N 0.322 120.419 120.200 -0.172 0.000 2.107 141 E HA -0.123 4.236 4.350 0.016 0.000 0.191 141 E C 2.186 178.671 176.600 -0.191 0.000 0.982 141 E CA 1.052 57.274 56.400 -0.297 0.000 0.809 141 E CB -0.038 29.556 29.700 -0.177 0.000 0.756 141 E HN 0.524 nan 8.360 nan 0.000 0.459 142 I N 1.033 121.548 120.570 -0.092 0.000 2.353 142 I HA -0.114 4.066 4.170 0.016 0.000 0.248 142 I C 2.449 178.554 176.117 -0.021 0.000 1.119 142 I CA 0.742 62.020 61.300 -0.037 0.000 1.417 142 I CB -1.555 36.398 38.000 -0.078 0.000 1.078 142 I HN -0.090 nan 8.210 nan 0.000 0.421 143 A N 2.392 125.175 122.820 -0.061 0.000 1.858 143 A HA -0.215 4.115 4.320 0.016 0.000 0.216 143 A C 2.441 179.977 177.584 -0.080 0.000 1.190 143 A CA 1.880 53.895 52.037 -0.036 0.000 0.617 143 A CB -0.713 18.285 19.000 -0.003 0.000 0.827 143 A HN 0.508 nan 8.150 nan 0.000 0.443 144 R N -0.515 119.879 120.500 -0.176 0.000 2.193 144 R HA -0.065 4.285 4.340 0.016 0.000 0.229 144 R C 1.764 177.961 176.300 -0.171 0.000 1.110 144 R CA 1.584 57.579 56.100 -0.174 0.000 0.988 144 R CB -0.361 29.778 30.300 -0.268 0.000 0.871 144 R HN 0.475 nan 8.270 nan 0.000 0.458 145 R N -0.326 120.052 120.500 -0.204 0.000 2.246 145 R HA 0.082 4.432 4.340 0.016 0.000 0.199 145 R C -0.027 175.997 176.300 -0.461 0.000 0.984 145 R CA 0.612 56.526 56.100 -0.310 0.000 1.015 145 R CB 0.253 30.343 30.300 -0.350 0.000 0.930 145 R HN 0.397 nan 8.270 nan 0.000 0.475 146 H N -0.629 118.398 119.070 -0.072 0.000 2.348 146 H HA 0.181 4.746 4.556 0.016 0.000 0.232 146 H C -2.035 173.276 175.328 -0.027 0.000 1.419 146 H CA -1.827 54.217 56.048 -0.005 0.000 1.416 146 H CB 1.312 31.083 29.762 0.016 0.000 1.510 146 H HN -0.033 nan 8.280 nan 0.000 0.507 147 P HA -0.173 nan 4.420 nan 0.000 0.222 147 P C 0.174 177.256 177.300 -0.363 0.000 1.147 147 P CA 1.227 64.130 63.100 -0.328 0.000 0.790 147 P CB 0.156 31.496 31.700 -0.600 0.000 0.780 148 Y N -2.976 117.384 120.300 0.100 0.000 2.524 148 Y HA 0.305 4.865 4.550 0.017 0.000 0.266 148 Y C 0.613 176.604 175.900 0.153 0.000 1.180 148 Y CA -1.210 56.940 58.100 0.083 0.000 1.244 148 Y CB -0.776 37.705 38.460 0.035 0.000 1.125 148 Y HN -0.154 nan 8.280 nan 0.000 0.524 149 F N 0.647 120.701 119.950 0.174 0.000 2.445 149 F HA 0.164 4.701 4.527 0.016 0.000 0.359 149 F C 0.282 176.197 175.800 0.193 0.000 1.101 149 F CA -1.322 56.777 58.000 0.164 0.000 1.177 149 F CB 0.167 39.226 39.000 0.098 0.000 1.110 149 F HN 0.032 nan 8.300 nan 0.000 0.522 150 Y N 6.653 126.952 120.300 -0.003 0.000 2.846 150 Y HA 0.077 4.637 4.550 0.017 0.000 0.352 150 Y C 1.131 177.164 175.900 0.221 0.000 1.298 150 Y CA -0.091 58.051 58.100 0.070 0.000 1.634 150 Y CB 0.089 38.534 38.460 -0.025 0.000 1.214 150 Y HN 0.796 nan 8.280 nan 0.000 0.529 151 A N 7.636 130.375 122.820 -0.136 0.000 1.881 151 A HA -0.246 4.083 4.320 0.016 0.000 0.219 151 A C -0.216 177.266 177.584 -0.171 0.000 1.215 151 A CA 2.158 54.121 52.037 -0.123 0.000 0.648 151 A CB -1.933 16.970 19.000 -0.162 0.000 0.832 151 A HN 0.702 nan 8.150 nan 0.000 0.455 152 P HA -0.151 nan 4.420 nan 0.000 0.218 152 P C 1.349 178.642 177.300 -0.012 0.000 1.146 152 P CA 1.466 64.420 63.100 -0.243 0.000 0.813 152 P CB -0.031 31.462 31.700 -0.345 0.000 0.778 153 E N -1.142 119.117 120.200 0.100 0.000 2.230 153 E HA -0.075 4.284 4.350 0.016 0.000 0.192 153 E C 1.725 178.700 176.600 0.625 0.000 0.987 153 E CA 0.397 57.009 56.400 0.353 0.000 0.841 153 E CB -0.351 29.630 29.700 0.469 0.000 0.783 153 E HN 0.109 nan 8.360 nan 0.000 0.481 154 L N 1.064 122.620 121.223 0.555 0.000 2.093 154 L HA -0.129 4.221 4.340 0.016 0.000 0.208 154 L C 2.214 179.265 176.870 0.301 0.000 1.085 154 L CA 1.049 56.132 54.840 0.406 0.000 0.755 154 L CB -0.465 41.714 42.059 0.201 0.000 0.904 154 L HN 0.149 nan 8.230 nan 0.000 0.435 155 L N -1.255 120.097 121.223 0.215 0.000 2.141 155 L HA -0.174 4.176 4.340 0.016 0.000 0.209 155 L C 2.251 179.222 176.870 0.168 0.000 1.094 155 L CA 1.702 56.633 54.840 0.152 0.000 0.763 155 L CB -0.970 41.142 42.059 0.088 0.000 0.908 155 L HN 0.381 nan 8.230 nan 0.000 0.437 156 F N -1.039 118.917 119.950 0.011 0.000 2.234 156 F HA -0.158 4.378 4.527 0.016 0.000 0.299 156 F C 1.748 177.482 175.800 -0.109 0.000 1.087 156 F CA 1.247 59.171 58.000 -0.125 0.000 1.340 156 F CB -0.358 38.426 39.000 -0.360 0.000 1.031 156 F HN 0.071 nan 8.300 nan 0.000 0.500 157 F N 0.532 120.449 119.950 -0.056 0.000 2.234 157 F HA 0.075 4.612 4.527 0.016 0.000 0.296 157 F C 2.599 178.424 175.800 0.042 0.000 1.089 157 F CA 1.090 59.025 58.000 -0.107 0.000 1.343 157 F CB -1.237 37.824 39.000 0.102 0.000 1.040 157 F HN 0.068 nan 8.300 nan 0.000 0.498 158 A N 0.384 123.369 122.820 0.276 0.000 1.873 158 A HA -0.265 4.065 4.320 0.016 0.000 0.218 158 A C 2.239 179.933 177.584 0.185 0.000 1.193 158 A CA 2.050 54.227 52.037 0.234 0.000 0.629 158 A CB -0.720 18.370 19.000 0.150 0.000 0.826 158 A HN 0.339 nan 8.150 nan 0.000 0.447 159 K N -0.849 119.587 120.400 0.061 0.000 2.147 159 K HA -0.116 4.213 4.320 0.016 0.000 0.205 159 K C 2.207 178.785 176.600 -0.037 0.000 1.049 159 K CA 1.417 57.717 56.287 0.022 0.000 0.936 159 K CB -0.177 32.309 32.500 -0.023 0.000 0.722 159 K HN 0.403 nan 8.250 nan 0.000 0.446 160 R N -0.557 119.836 120.500 -0.177 0.000 2.189 160 R HA -0.095 4.255 4.340 0.016 0.000 0.223 160 R C 1.825 178.005 176.300 -0.199 0.000 1.092 160 R CA 1.089 57.032 56.100 -0.261 0.000 0.989 160 R CB -0.109 29.912 30.300 -0.464 0.000 0.876 160 R HN 0.234 nan 8.270 nan 0.000 0.457 161 Y N 0.707 120.981 120.300 -0.043 0.000 2.206 161 Y HA -0.115 4.445 4.550 0.016 0.000 0.292 161 Y C 2.349 178.296 175.900 0.079 0.000 1.123 161 Y CA 1.255 59.347 58.100 -0.014 0.000 1.142 161 Y CB -0.039 38.470 38.460 0.081 0.000 1.006 161 Y HN -0.122 nan 8.280 nan 0.000 0.518 162 K N 0.203 120.793 120.400 0.317 0.000 2.281 162 K HA -0.168 4.162 4.320 0.016 0.000 0.203 162 K C 1.943 178.689 176.600 0.244 0.000 1.046 162 K CA 1.086 57.577 56.287 0.341 0.000 0.938 162 K CB -0.161 32.522 32.500 0.305 0.000 0.737 162 K HN 0.294 nan 8.250 nan 0.000 0.458 163 A N 0.465 123.346 122.820 0.102 0.000 1.975 163 A HA 0.126 4.455 4.320 0.016 0.000 0.215 163 A C 2.197 179.773 177.584 -0.013 0.000 1.170 163 A CA 1.059 53.127 52.037 0.051 0.000 0.656 163 A CB -0.363 18.633 19.000 -0.008 0.000 0.821 163 A HN 0.403 nan 8.150 nan 0.000 0.449 164 A N -0.925 121.817 122.820 -0.129 0.000 1.930 164 A HA 0.078 4.408 4.320 0.016 0.000 0.217 164 A C 1.824 179.236 177.584 -0.287 0.000 1.175 164 A CA 1.312 53.192 52.037 -0.263 0.000 0.627 164 A CB -0.658 18.071 19.000 -0.450 0.000 0.815 164 A HN 0.424 nan 8.150 nan 0.000 0.443 165 F N 0.088 119.924 119.950 -0.191 0.000 2.325 165 F HA -0.038 4.499 4.527 0.016 0.000 0.299 165 F C 2.677 178.408 175.800 -0.115 0.000 1.090 165 F CA 1.511 59.260 58.000 -0.417 0.000 1.392 165 F CB -0.875 37.368 39.000 -1.261 0.000 1.053 165 F HN 0.102 nan 8.300 nan 0.000 0.521 166 T N -0.693 114.013 114.554 0.252 0.000 2.737 166 T HA -0.192 4.168 4.350 0.016 0.000 0.265 166 T C 1.957 176.778 174.700 0.202 0.000 1.038 166 T CA 1.593 63.912 62.100 0.365 0.000 1.144 166 T CB -0.123 68.917 68.868 0.286 0.000 0.866 166 T HN 0.343 nan 8.240 nan 0.000 0.434 167 E N -0.299 119.961 120.200 0.100 0.000 2.008 167 E HA -0.109 4.251 4.350 0.016 0.000 0.191 167 E C 2.428 179.058 176.600 0.050 0.000 0.986 167 E CA 1.203 57.637 56.400 0.056 0.000 0.807 167 E CB -0.181 29.524 29.700 0.009 0.000 0.766 167 E HN 0.433 nan 8.360 nan 0.000 0.450 168 c N 0.747 119.355 118.600 0.014 0.000 2.425 168 c HA -0.111 4.469 4.570 0.016 0.000 0.277 168 c C 2.636 176.762 174.090 0.060 0.000 1.280 168 c CA 0.320 56.654 56.329 0.009 0.000 1.744 168 c CB -0.944 41.534 42.510 -0.054 0.000 1.989 168 c HN 0.612 nan 8.230 nan 0.000 0.491 169 c N 0.896 119.569 118.600 0.122 0.000 2.503 169 c HA -0.041 4.539 4.570 0.016 0.000 0.285 169 c C 2.081 176.240 174.090 0.116 0.000 1.473 169 c CA 0.884 57.304 56.329 0.150 0.000 1.708 169 c CB -2.256 40.414 42.510 0.267 0.000 1.638 169 c HN 0.674 nan 8.230 nan 0.000 0.585 170 Q N -0.312 119.541 119.800 0.089 0.000 2.185 170 Q HA 0.285 4.635 4.340 0.016 0.000 0.234 170 Q C 0.773 176.799 176.000 0.044 0.000 0.819 170 Q CA -0.150 55.693 55.803 0.068 0.000 0.961 170 Q CB 0.481 29.263 28.738 0.073 0.000 1.140 170 Q HN 0.570 nan 8.270 nan 0.000 0.492 171 A N 0.674 123.517 122.820 0.039 0.000 2.386 171 A HA 0.497 4.827 4.320 0.016 0.000 0.248 171 A C 1.172 178.769 177.584 0.020 0.000 1.082 171 A CA 0.544 52.596 52.037 0.025 0.000 0.789 171 A CB 0.443 19.453 19.000 0.017 0.000 1.025 171 A HN 0.324 nan 8.150 nan 0.000 0.490 172 A N 0.807 123.636 122.820 0.014 0.000 1.877 172 A HA -0.025 4.304 4.320 0.016 0.000 0.216 172 A C 0.981 178.570 177.584 0.009 0.000 1.186 172 A CA 1.896 53.939 52.037 0.011 0.000 0.620 172 A CB -0.235 18.770 19.000 0.008 0.000 0.822 172 A HN 0.731 nan 8.150 nan 0.000 0.443 173 D N -0.622 119.783 120.400 0.008 0.000 2.505 173 D HA 0.294 4.944 4.640 0.016 0.000 0.242 173 D C 0.898 177.201 176.300 0.006 0.000 1.136 173 D CA -0.200 53.803 54.000 0.006 0.000 0.954 173 D CB 0.395 41.197 40.800 0.003 0.000 1.002 173 D HN 0.319 nan 8.370 nan 0.000 0.512 174 K N 1.186 121.593 120.400 0.012 0.000 1.987 174 K HA -0.197 4.133 4.320 0.016 0.000 0.216 174 K C 1.936 178.538 176.600 0.004 0.000 1.051 174 K CA 1.427 57.723 56.287 0.015 0.000 0.942 174 K CB -0.272 32.246 32.500 0.030 0.000 0.722 174 K HN 0.303 nan 8.250 nan 0.000 0.444 175 A N 1.895 124.720 122.820 0.008 0.000 1.915 175 A HA -0.255 4.074 4.320 0.016 0.000 0.220 175 A C 2.494 180.073 177.584 -0.007 0.000 1.198 175 A CA 2.523 54.562 52.037 0.003 0.000 0.647 175 A CB -1.061 17.944 19.000 0.008 0.000 0.825 175 A HN 0.454 nan 8.150 nan 0.000 0.456 176 A N -1.805 121.012 122.820 -0.006 0.000 2.019 176 A HA -0.129 4.201 4.320 0.016 0.000 0.219 176 A C 2.329 179.902 177.584 -0.018 0.000 1.164 176 A CA 1.762 53.794 52.037 -0.009 0.000 0.644 176 A CB -1.145 17.852 19.000 -0.005 0.000 0.805 176 A HN 0.796 nan 8.150 nan 0.000 0.449 177 c N -1.616 116.971 118.600 -0.021 0.000 2.739 177 c HA 0.163 4.742 4.570 0.016 0.000 0.285 177 c C 2.336 176.389 174.090 -0.062 0.000 1.301 177 c CA 0.942 57.251 56.329 -0.035 0.000 1.700 177 c CB -1.168 41.327 42.510 -0.026 0.000 2.147 177 c HN 0.547 nan 8.230 nan 0.000 0.510 178 L N 1.186 122.364 121.223 -0.074 0.000 1.971 178 L HA -0.087 4.263 4.340 0.016 0.000 0.215 178 L C 2.320 179.121 176.870 -0.115 0.000 1.072 178 L CA 2.022 56.784 54.840 -0.129 0.000 0.758 178 L CB -1.206 40.785 42.059 -0.114 0.000 0.889 178 L HN 0.302 nan 8.230 nan 0.000 0.433 179 L N 0.255 121.442 121.223 -0.061 0.000 2.010 179 L HA -0.216 4.134 4.340 0.016 0.000 0.219 179 L C -0.346 176.497 176.870 -0.045 0.000 1.077 179 L CA 2.669 57.485 54.840 -0.040 0.000 0.773 179 L CB -2.555 39.495 42.059 -0.015 0.000 0.892 179 L HN 0.315 nan 8.230 nan 0.000 0.436 180 P HA -0.156 nan 4.420 nan 0.000 0.223 180 P C 1.399 178.663 177.300 -0.060 0.000 1.151 180 P CA 1.360 64.437 63.100 -0.038 0.000 0.787 180 P CB 0.027 31.710 31.700 -0.028 0.000 0.788 181 K N -0.283 120.059 120.400 -0.097 0.000 2.076 181 K HA 0.041 4.371 4.320 0.016 0.000 0.204 181 K C 2.287 178.788 176.600 -0.164 0.000 1.051 181 K CA 0.875 57.078 56.287 -0.141 0.000 0.949 181 K CB -0.456 31.928 32.500 -0.195 0.000 0.726 181 K HN 0.160 nan 8.250 nan 0.000 0.443 182 L N 1.117 122.254 121.223 -0.143 0.000 2.093 182 L HA -0.181 4.169 4.340 0.016 0.000 0.208 182 L C 1.688 178.540 176.870 -0.030 0.000 1.085 182 L CA 0.986 55.778 54.840 -0.081 0.000 0.755 182 L CB -0.403 41.639 42.059 -0.029 0.000 0.904 182 L HN 0.148 nan 8.230 nan 0.000 0.435 183 D N 0.347 120.729 120.400 -0.030 0.000 2.144 183 D HA -0.159 4.490 4.640 0.016 0.000 0.200 183 D C 2.356 178.649 176.300 -0.013 0.000 0.978 183 D CA 1.521 55.515 54.000 -0.010 0.000 0.833 183 D CB 0.001 40.798 40.800 -0.006 0.000 0.961 183 D HN 0.426 nan 8.370 nan 0.000 0.470 184 E N 0.872 121.053 120.200 -0.031 0.000 2.017 184 E HA -0.141 4.219 4.350 0.016 0.000 0.193 184 E C 2.074 178.666 176.600 -0.013 0.000 0.997 184 E CA 0.843 57.231 56.400 -0.020 0.000 0.804 184 E CB -0.976 28.703 29.700 -0.035 0.000 0.757 184 E HN 0.065 nan 8.360 nan 0.000 0.448 185 L N 0.665 121.844 121.223 -0.073 0.000 2.043 185 L HA -0.133 4.216 4.340 0.016 0.000 0.212 185 L C 2.657 179.529 176.870 0.004 0.000 1.075 185 L CA 2.245 57.036 54.840 -0.082 0.000 0.752 185 L CB -0.768 41.031 42.059 -0.434 0.000 0.891 185 L HN 0.431 nan 8.230 nan 0.000 0.432 186 R N -0.361 120.152 120.500 0.021 0.000 2.080 186 R HA -0.195 4.155 4.340 0.016 0.000 0.236 186 R C 1.915 178.215 176.300 0.001 0.000 1.137 186 R CA 2.006 58.120 56.100 0.023 0.000 0.943 186 R CB -0.302 30.016 30.300 0.029 0.000 0.846 186 R HN 0.360 nan 8.270 nan 0.000 0.431 187 D N 0.277 120.686 120.400 0.015 0.000 2.123 187 D HA -0.159 4.491 4.640 0.016 0.000 0.196 187 D C 1.823 178.159 176.300 0.059 0.000 0.992 187 D CA 1.199 55.212 54.000 0.021 0.000 0.833 187 D CB -0.176 40.627 40.800 0.006 0.000 0.954 187 D HN 0.411 nan 8.370 nan 0.000 0.455 188 E N 0.048 120.310 120.200 0.104 0.000 2.023 188 E HA -0.125 4.235 4.350 0.016 0.000 0.196 188 E C 2.194 178.919 176.600 0.208 0.000 1.003 188 E CA 1.107 57.642 56.400 0.224 0.000 0.809 188 E CB -0.299 29.609 29.700 0.346 0.000 0.755 188 E HN 0.271 nan 8.360 nan 0.000 0.449 189 G N 1.214 109.983 108.800 -0.051 0.000 2.450 189 G HA2 -0.269 3.701 3.960 0.016 0.000 0.220 189 G HA3 -0.269 3.701 3.960 0.016 0.000 0.220 189 G C 1.434 176.274 174.900 -0.100 0.000 1.130 189 G CA 0.613 45.458 45.100 -0.425 0.000 0.760 189 G HN 0.110 nan 8.290 nan 0.000 0.557 190 K N 0.421 120.797 120.400 -0.040 0.000 2.062 190 K HA 0.094 4.424 4.320 0.016 0.000 0.205 190 K C 2.962 179.613 176.600 0.086 0.000 1.051 190 K CA 0.900 57.196 56.287 0.015 0.000 0.941 190 K CB -0.168 32.342 32.500 0.017 0.000 0.719 190 K HN 0.272 nan 8.250 nan 0.000 0.440 191 A N 1.144 124.036 122.820 0.120 0.000 1.898 191 A HA -0.162 4.168 4.320 0.016 0.000 0.216 191 A C 2.249 179.938 177.584 0.174 0.000 1.181 191 A CA 2.009 54.140 52.037 0.158 0.000 0.620 191 A CB -0.640 18.490 19.000 0.217 0.000 0.819 191 A HN 0.300 nan 8.150 nan 0.000 0.442 192 S N -0.243 115.597 115.700 0.234 0.000 2.368 192 S HA -0.174 4.305 4.470 0.016 0.000 0.225 192 S C 2.346 177.031 174.600 0.142 0.000 1.030 192 S CA 2.139 60.487 58.200 0.247 0.000 0.999 192 S CB -0.542 62.945 63.200 0.479 0.000 0.844 192 S HN 0.735 nan 8.310 nan 0.000 0.459 193 S N 0.998 116.839 115.700 0.235 0.000 2.356 193 S HA 0.013 4.493 4.470 0.016 0.000 0.223 193 S C 2.123 176.780 174.600 0.095 0.000 1.032 193 S CA 1.472 59.795 58.200 0.206 0.000 1.005 193 S CB -0.927 62.428 63.200 0.257 0.000 0.867 193 S HN 0.738 nan 8.310 nan 0.000 0.449 194 A N 1.400 124.277 122.820 0.094 0.000 1.902 194 A HA -0.029 4.301 4.320 0.016 0.000 0.217 194 A C 2.208 179.811 177.584 0.032 0.000 1.181 194 A CA 1.635 53.711 52.037 0.065 0.000 0.623 194 A CB -0.673 18.369 19.000 0.070 0.000 0.818 194 A HN 0.642 nan 8.150 nan 0.000 0.443 195 K N -0.710 119.711 120.400 0.034 0.000 2.063 195 K HA -0.234 4.096 4.320 0.016 0.000 0.208 195 K C 2.407 178.977 176.600 -0.050 0.000 1.048 195 K CA 1.782 58.070 56.287 0.002 0.000 0.928 195 K CB -0.173 32.344 32.500 0.027 0.000 0.713 195 K HN 0.712 nan 8.250 nan 0.000 0.442 196 Q N 0.556 120.315 119.800 -0.068 0.000 2.124 196 Q HA -0.202 4.147 4.340 0.016 0.000 0.202 196 Q C 2.183 178.115 176.000 -0.113 0.000 0.977 196 Q CA 1.854 57.578 55.803 -0.131 0.000 0.850 196 Q CB 0.028 28.653 28.738 -0.190 0.000 0.901 196 Q HN 0.254 nan 8.270 nan 0.000 0.429 197 R N 0.316 120.782 120.500 -0.057 0.000 2.153 197 R HA -0.003 4.347 4.340 0.016 0.000 0.218 197 R C 1.937 178.206 176.300 -0.051 0.000 1.072 197 R CA 1.145 57.220 56.100 -0.042 0.000 0.990 197 R CB -1.090 29.217 30.300 0.012 0.000 0.889 197 R HN 0.384 nan 8.270 nan 0.000 0.452 198 L N 0.786 121.981 121.223 -0.046 0.000 2.072 198 L HA 0.033 4.383 4.340 0.016 0.000 0.205 198 L C 2.012 178.836 176.870 -0.076 0.000 1.079 198 L CA 1.823 56.637 54.840 -0.043 0.000 0.752 198 L CB -0.182 41.855 42.059 -0.036 0.000 0.906 198 L HN 0.273 nan 8.230 nan 0.000 0.436 199 K N -1.106 119.220 120.400 -0.124 0.000 2.097 199 K HA -0.148 4.182 4.320 0.016 0.000 0.206 199 K C 2.087 178.614 176.600 -0.121 0.000 1.049 199 K CA 1.639 57.832 56.287 -0.157 0.000 0.933 199 K CB -0.645 31.725 32.500 -0.217 0.000 0.717 199 K HN 0.421 nan 8.250 nan 0.000 0.442 200 c N 0.544 119.062 118.600 -0.136 0.000 2.450 200 c HA 0.048 4.628 4.570 0.016 0.000 0.279 200 c C 2.892 176.929 174.090 -0.089 0.000 1.335 200 c CA 0.477 56.725 56.329 -0.134 0.000 1.749 200 c CB -0.758 41.659 42.510 -0.155 0.000 1.963 200 c HN 0.501 nan 8.230 nan 0.000 0.501 201 A N 1.094 123.878 122.820 -0.060 0.000 1.873 201 A HA -0.113 4.217 4.320 0.016 0.000 0.215 201 A C 2.243 179.835 177.584 0.013 0.000 1.186 201 A CA 2.213 54.230 52.037 -0.033 0.000 0.616 201 A CB -0.728 18.264 19.000 -0.013 0.000 0.823 201 A HN 0.562 nan 8.150 nan 0.000 0.442 202 S N -0.114 115.640 115.700 0.090 0.000 2.356 202 S HA -0.139 4.341 4.470 0.016 0.000 0.223 202 S C 1.861 176.604 174.600 0.239 0.000 1.032 202 S CA 1.339 59.718 58.200 0.298 0.000 1.005 202 S CB -0.577 62.751 63.200 0.213 0.000 0.867 202 S HN 0.441 nan 8.310 nan 0.000 0.449 203 L N 1.617 122.895 121.223 0.093 0.000 2.081 203 L HA -0.266 4.084 4.340 0.016 0.000 0.212 203 L C 3.082 179.954 176.870 0.003 0.000 1.080 203 L CA 2.205 57.057 54.840 0.020 0.000 0.754 203 L CB -0.768 41.196 42.059 -0.159 0.000 0.893 203 L HN 0.493 nan 8.230 nan 0.000 0.433 204 Q N -0.535 119.246 119.800 -0.031 0.000 2.020 204 Q HA -0.218 4.132 4.340 0.016 0.000 0.198 204 Q C 2.298 178.242 176.000 -0.094 0.000 0.974 204 Q CA 1.787 57.554 55.803 -0.060 0.000 0.829 204 Q CB -0.609 28.083 28.738 -0.077 0.000 0.894 204 Q HN 0.557 nan 8.270 nan 0.000 0.433 205 K N -0.708 119.592 120.400 -0.166 0.000 1.973 205 K HA 0.000 4.330 4.320 0.016 0.000 0.210 205 K C 1.773 178.116 176.600 -0.429 0.000 1.045 205 K CA 1.675 57.722 56.287 -0.401 0.000 0.937 205 K CB -0.170 31.887 32.500 -0.738 0.000 0.721 205 K HN 0.520 nan 8.250 nan 0.000 0.438 206 F N 0.400 120.356 119.950 0.010 0.000 2.789 206 F HA 0.193 4.730 4.527 0.016 0.000 0.300 206 F C 1.237 177.063 175.800 0.044 0.000 1.132 206 F CA 0.300 58.317 58.000 0.028 0.000 1.404 206 F CB -0.057 38.964 39.000 0.035 0.000 1.114 206 F HN 0.199 nan 8.300 nan 0.000 0.584 207 G N 0.671 109.571 108.800 0.166 0.000 2.796 207 G HA2 -0.284 3.686 3.960 0.016 0.000 0.571 207 G HA3 -0.284 3.686 3.960 0.016 0.000 0.571 207 G C 0.418 175.419 174.900 0.169 0.000 1.370 207 G CA -0.008 45.167 45.100 0.125 0.000 0.856 207 G HN 0.267 nan 8.290 nan 0.000 0.538 208 E N -0.501 119.777 120.200 0.130 0.000 2.077 208 E HA -0.111 4.249 4.350 0.016 0.000 0.193 208 E C 2.643 179.377 176.600 0.223 0.000 0.989 208 E CA 1.292 57.793 56.400 0.167 0.000 0.800 208 E CB -0.059 29.704 29.700 0.104 0.000 0.746 208 E HN 0.487 nan 8.360 nan 0.000 0.452 209 R N -0.106 120.496 120.500 0.171 0.000 2.097 209 R HA -0.210 4.140 4.340 0.016 0.000 0.236 209 R C 2.277 178.682 176.300 0.176 0.000 1.135 209 R CA 1.552 57.748 56.100 0.160 0.000 0.934 209 R CB -0.365 30.013 30.300 0.131 0.000 0.846 209 R HN 0.191 nan 8.270 nan 0.000 0.431 210 A N 0.172 123.102 122.820 0.183 0.000 1.940 210 A HA -0.217 4.112 4.320 0.016 0.000 0.219 210 A C 2.006 179.703 177.584 0.187 0.000 1.176 210 A CA 1.443 53.571 52.037 0.152 0.000 0.631 210 A CB -0.770 18.312 19.000 0.136 0.000 0.814 210 A HN 0.526 nan 8.150 nan 0.000 0.446 211 F N 0.451 120.480 119.950 0.131 0.000 2.134 211 F HA -0.126 4.411 4.527 0.016 0.000 0.299 211 F C 2.125 178.083 175.800 0.263 0.000 1.097 211 F CA 2.139 60.246 58.000 0.179 0.000 1.264 211 F CB -0.179 38.897 39.000 0.125 0.000 1.001 211 F HN 0.118 nan 8.300 nan 0.000 0.479 212 K N 0.058 120.607 120.400 0.249 0.000 2.063 212 K HA -0.150 4.179 4.320 0.016 0.000 0.208 212 K C 2.271 178.892 176.600 0.034 0.000 1.048 212 K CA 1.324 57.693 56.287 0.136 0.000 0.928 212 K CB -0.508 32.092 32.500 0.166 0.000 0.713 212 K HN 0.354 nan 8.250 nan 0.000 0.442 213 A N 0.149 123.011 122.820 0.070 0.000 1.930 213 A HA -0.179 4.150 4.320 0.016 0.000 0.217 213 A C 1.914 179.490 177.584 -0.014 0.000 1.175 213 A CA 1.298 53.362 52.037 0.045 0.000 0.627 213 A CB -0.840 18.203 19.000 0.072 0.000 0.815 213 A HN 0.654 nan 8.150 nan 0.000 0.443 214 W N 0.823 122.001 121.300 -0.203 0.000 2.379 214 W HA -0.080 4.589 4.660 0.014 0.000 0.307 214 W C 2.267 178.608 176.519 -0.296 0.000 1.200 214 W CA 2.083 59.276 57.345 -0.254 0.000 1.297 214 W CB -0.290 28.983 29.460 -0.310 0.000 1.140 214 W HN 0.307 nan 8.180 nan 0.000 0.507 215 A N 0.215 122.720 122.820 -0.524 0.000 1.933 215 A HA -0.164 4.166 4.320 0.016 0.000 0.218 215 A C 2.045 179.323 177.584 -0.510 0.000 1.175 215 A CA 2.228 53.796 52.037 -0.782 0.000 0.628 215 A CB -1.211 17.521 19.000 -0.447 0.000 0.814 215 A HN 0.249 nan 8.150 nan 0.000 0.444 216 V N -0.310 119.433 119.914 -0.285 0.000 2.295 216 V HA -0.240 3.890 4.120 0.016 0.000 0.246 216 V C 3.062 179.050 176.094 -0.177 0.000 1.049 216 V CA 1.999 64.207 62.300 -0.154 0.000 1.024 216 V CB -1.073 30.737 31.823 -0.020 0.000 0.648 216 V HN 0.620 nan 8.190 nan 0.000 0.447 217 A N -0.091 122.589 122.820 -0.234 0.000 1.898 217 A HA -0.242 4.088 4.320 0.016 0.000 0.216 217 A C 2.280 179.661 177.584 -0.339 0.000 1.181 217 A CA 2.075 53.970 52.037 -0.238 0.000 0.620 217 A CB -0.503 18.363 19.000 -0.223 0.000 0.819 217 A HN 0.481 nan 8.150 nan 0.000 0.442 218 R N -0.150 120.025 120.500 -0.541 0.000 2.070 218 R HA -0.018 4.332 4.340 0.016 0.000 0.232 218 R C 1.977 177.978 176.300 -0.499 0.000 1.138 218 R CA 1.760 57.487 56.100 -0.621 0.000 0.936 218 R CB -0.682 28.979 30.300 -1.065 0.000 0.839 218 R HN 0.480 nan 8.270 nan 0.000 0.429 219 L N -0.130 120.819 121.223 -0.456 0.000 2.083 219 L HA -0.134 4.215 4.340 0.016 0.000 0.209 219 L C 2.223 178.921 176.870 -0.287 0.000 1.083 219 L CA 1.498 56.110 54.840 -0.380 0.000 0.752 219 L CB -0.276 41.673 42.059 -0.183 0.000 0.899 219 L HN 0.247 nan 8.230 nan 0.000 0.433 220 S N -1.028 114.572 115.700 -0.167 0.000 2.447 220 S HA -0.187 4.292 4.470 0.016 0.000 0.233 220 S C 1.852 176.336 174.600 -0.194 0.000 1.006 220 S CA 0.894 59.038 58.200 -0.092 0.000 0.957 220 S CB -0.054 63.110 63.200 -0.059 0.000 0.773 220 S HN 0.435 nan 8.310 nan 0.000 0.507 221 Q N 0.393 120.038 119.800 -0.260 0.000 2.163 221 Q HA 0.133 4.483 4.340 0.016 0.000 0.198 221 Q C 2.266 178.102 176.000 -0.273 0.000 0.954 221 Q CA 0.682 56.335 55.803 -0.250 0.000 0.851 221 Q CB 0.088 28.678 28.738 -0.247 0.000 0.928 221 Q HN 0.397 nan 8.270 nan 0.000 0.459 222 R N -0.706 119.531 120.500 -0.438 0.000 2.161 222 R HA 0.010 4.360 4.340 0.016 0.000 0.213 222 R C -0.152 175.932 176.300 -0.359 0.000 1.055 222 R CA 0.527 56.291 56.100 -0.560 0.000 0.996 222 R CB 0.442 30.192 30.300 -0.916 0.000 0.901 222 R HN 0.073 nan 8.270 nan 0.000 0.456 223 F N 0.958 120.862 119.950 -0.076 0.000 2.531 223 F HA 0.324 4.861 4.527 0.017 0.000 0.333 223 F C -1.786 173.985 175.800 -0.049 0.000 1.292 223 F CA -3.378 54.593 58.000 -0.050 0.000 1.184 223 F CB 1.257 40.240 39.000 -0.028 0.000 1.426 223 F HN -0.158 nan 8.300 nan 0.000 0.559 224 P HA -0.061 nan 4.420 nan 0.000 0.237 224 P C 0.879 178.179 177.300 -0.000 0.000 1.178 224 P CA 0.948 64.022 63.100 -0.044 0.000 0.766 224 P CB 0.423 32.062 31.700 -0.102 0.000 0.876 225 K N -0.636 119.801 120.400 0.062 0.000 2.361 225 K HA 0.263 4.593 4.320 0.016 0.000 0.194 225 K C 1.112 177.769 176.600 0.094 0.000 1.032 225 K CA -0.100 56.221 56.287 0.056 0.000 1.048 225 K CB 0.205 32.722 32.500 0.029 0.000 0.842 225 K HN 0.043 nan 8.250 nan 0.000 0.526 226 A N 1.624 124.528 122.820 0.141 0.000 2.366 226 A HA 0.135 4.465 4.320 0.016 0.000 0.249 226 A C -0.072 177.644 177.584 0.220 0.000 1.084 226 A CA -0.454 51.663 52.037 0.135 0.000 0.794 226 A CB 0.265 19.341 19.000 0.126 0.000 1.034 226 A HN 0.215 nan 8.150 nan 0.000 0.491 227 E N 0.762 121.037 120.200 0.125 0.000 2.301 227 E HA 0.252 4.612 4.350 0.016 0.000 0.275 227 E C 0.430 176.991 176.600 -0.064 0.000 1.030 227 E CA -0.078 56.382 56.400 0.099 0.000 0.852 227 E CB 0.716 30.452 29.700 0.060 0.000 1.060 227 E HN 0.862 nan 8.360 nan 0.000 0.401 228 F N 2.053 121.696 119.950 -0.511 0.000 2.225 228 F HA -0.171 4.366 4.527 0.016 0.000 0.302 228 F C 2.203 177.824 175.800 -0.298 0.000 1.068 228 F CA 2.102 59.637 58.000 -0.776 0.000 1.327 228 F CB -0.581 37.916 39.000 -0.838 0.000 1.043 228 F HN 0.735 nan 8.300 nan 0.000 0.506 229 A N -0.405 122.339 122.820 -0.127 0.000 1.898 229 A HA -0.165 4.165 4.320 0.016 0.000 0.216 229 A C 2.065 179.553 177.584 -0.160 0.000 1.181 229 A CA 1.640 53.609 52.037 -0.115 0.000 0.620 229 A CB -0.766 18.233 19.000 -0.001 0.000 0.819 229 A HN 0.415 nan 8.150 nan 0.000 0.442 230 E N -0.045 120.094 120.200 -0.103 0.000 2.028 230 E HA -0.105 4.254 4.350 0.016 0.000 0.191 230 E C 1.925 178.471 176.600 -0.091 0.000 0.988 230 E CA 1.450 57.821 56.400 -0.047 0.000 0.799 230 E CB -0.489 29.209 29.700 -0.002 0.000 0.755 230 E HN 0.210 nan 8.360 nan 0.000 0.447 231 V N 0.235 120.061 119.914 -0.146 0.000 2.380 231 V HA -0.284 3.845 4.120 0.016 0.000 0.251 231 V C 2.430 178.355 176.094 -0.280 0.000 1.063 231 V CA 1.973 64.183 62.300 -0.151 0.000 1.055 231 V CB -0.684 31.052 31.823 -0.144 0.000 0.657 231 V HN 0.239 nan 8.190 nan 0.000 0.455 232 S N -1.060 114.345 115.700 -0.490 0.000 2.359 232 S HA -0.234 4.246 4.470 0.016 0.000 0.224 232 S C 2.151 176.622 174.600 -0.215 0.000 1.035 232 S CA 1.643 59.578 58.200 -0.442 0.000 1.018 232 S CB -0.282 62.614 63.200 -0.507 0.000 0.876 232 S HN 0.488 nan 8.310 nan 0.000 0.448 233 K N 0.839 121.137 120.400 -0.169 0.000 2.009 233 K HA -0.090 4.240 4.320 0.016 0.000 0.210 233 K C 2.095 178.619 176.600 -0.126 0.000 1.049 233 K CA 1.297 57.504 56.287 -0.134 0.000 0.929 233 K CB -0.527 31.902 32.500 -0.118 0.000 0.714 233 K HN 0.343 nan 8.250 nan 0.000 0.440 234 L N 0.510 121.685 121.223 -0.081 0.000 1.994 234 L HA -0.198 4.152 4.340 0.016 0.000 0.208 234 L C 2.511 179.356 176.870 -0.041 0.000 1.071 234 L CA 0.934 55.753 54.840 -0.034 0.000 0.745 234 L CB -0.616 41.473 42.059 0.049 0.000 0.892 234 L HN -0.046 nan 8.230 nan 0.000 0.431 235 V N -0.453 119.423 119.914 -0.062 0.000 2.453 235 V HA -0.315 3.815 4.120 0.016 0.000 0.252 235 V C 2.534 178.629 176.094 0.002 0.000 1.068 235 V CA 2.308 64.581 62.300 -0.046 0.000 1.070 235 V CB -0.727 31.049 31.823 -0.078 0.000 0.664 235 V HN 0.506 nan 8.190 nan 0.000 0.461 236 T N -0.697 113.838 114.554 -0.032 0.000 2.770 236 T HA -0.130 4.229 4.350 0.016 0.000 0.263 236 T C 1.638 176.325 174.700 -0.022 0.000 1.039 236 T CA 1.501 63.590 62.100 -0.019 0.000 1.142 236 T CB -0.273 68.565 68.868 -0.050 0.000 0.868 236 T HN 0.492 nan 8.240 nan 0.000 0.435 237 D N 1.205 121.571 120.400 -0.055 0.000 2.117 237 D HA 0.006 4.656 4.640 0.016 0.000 0.198 237 D C 2.175 178.463 176.300 -0.020 0.000 0.982 237 D CA 0.439 54.405 54.000 -0.057 0.000 0.828 237 D CB -0.494 40.244 40.800 -0.104 0.000 0.967 237 D HN 0.204 nan 8.370 nan 0.000 0.464 238 L N 0.850 122.068 121.223 -0.008 0.000 1.990 238 L HA -0.220 4.130 4.340 0.016 0.000 0.213 238 L C 2.267 179.142 176.870 0.008 0.000 1.072 238 L CA 1.558 56.391 54.840 -0.013 0.000 0.755 238 L CB -0.658 41.396 42.059 -0.008 0.000 0.889 238 L HN 0.102 nan 8.230 nan 0.000 0.432 239 T N -0.711 113.919 114.554 0.126 0.000 2.759 239 T HA -0.267 4.093 4.350 0.016 0.000 0.269 239 T C 1.834 176.508 174.700 -0.043 0.000 1.042 239 T CA 1.834 64.003 62.100 0.115 0.000 1.140 239 T CB -0.108 68.881 68.868 0.202 0.000 0.864 239 T HN 0.318 nan 8.240 nan 0.000 0.455 240 K N 0.662 121.054 120.400 -0.015 0.000 2.103 240 K HA -0.032 4.298 4.320 0.016 0.000 0.204 240 K C 2.180 178.772 176.600 -0.013 0.000 1.052 240 K CA 0.830 57.101 56.287 -0.025 0.000 0.945 240 K CB -0.200 32.288 32.500 -0.020 0.000 0.722 240 K HN 0.139 nan 8.250 nan 0.000 0.443 241 V N 1.449 121.366 119.914 0.006 0.000 2.261 241 V HA -0.265 3.865 4.120 0.016 0.000 0.246 241 V C 2.128 178.283 176.094 0.102 0.000 1.047 241 V CA 2.087 64.415 62.300 0.048 0.000 1.015 241 V CB -0.667 31.193 31.823 0.062 0.000 0.642 241 V HN 0.470 nan 8.190 nan 0.000 0.446 242 H N -0.830 118.198 119.070 -0.069 0.000 2.387 242 H HA -0.142 4.423 4.556 0.016 0.000 0.299 242 H C 2.505 177.722 175.328 -0.185 0.000 1.090 242 H CA 1.473 57.436 56.048 -0.142 0.000 1.332 242 H CB 0.042 29.670 29.762 -0.224 0.000 1.386 242 H HN 0.386 nan 8.280 nan 0.000 0.516 243 T N 0.615 115.128 114.554 -0.068 0.000 2.674 243 T HA -0.143 4.217 4.350 0.016 0.000 0.265 243 T C 1.816 176.499 174.700 -0.027 0.000 1.039 243 T CA 1.117 63.163 62.100 -0.090 0.000 1.150 243 T CB -0.103 68.708 68.868 -0.095 0.000 0.864 243 T HN 0.409 nan 8.240 nan 0.000 0.427 244 E N 0.147 120.343 120.200 -0.007 0.000 2.070 244 E HA -0.151 4.209 4.350 0.016 0.000 0.197 244 E C 2.536 179.174 176.600 0.064 0.000 1.004 244 E CA 1.291 57.706 56.400 0.025 0.000 0.805 244 E CB -0.315 29.400 29.700 0.026 0.000 0.744 244 E HN 0.478 nan 8.360 nan 0.000 0.451 245 c N -0.067 118.545 118.600 0.020 0.000 2.486 245 c HA -0.049 4.531 4.570 0.016 0.000 0.279 245 c C 2.992 177.064 174.090 -0.030 0.000 1.302 245 c CA -0.055 56.264 56.329 -0.016 0.000 1.720 245 c CB -0.772 41.674 42.510 -0.107 0.000 2.030 245 c HN 0.556 nan 8.230 nan 0.000 0.490 246 c N -0.496 118.067 118.600 -0.060 0.000 2.440 246 c HA -0.135 4.444 4.570 0.016 0.000 0.278 246 c C 2.718 176.763 174.090 -0.075 0.000 1.295 246 c CA 1.052 57.320 56.329 -0.101 0.000 1.738 246 c CB -1.790 40.646 42.510 -0.123 0.000 1.987 246 c HN 0.700 nan 8.230 nan 0.000 0.492 247 H N 0.185 119.207 119.070 -0.081 0.000 2.352 247 H HA -0.070 4.496 4.556 0.016 0.000 0.299 247 H C 1.983 177.295 175.328 -0.027 0.000 1.097 247 H CA 2.204 58.218 56.048 -0.058 0.000 1.311 247 H CB -0.089 29.658 29.762 -0.025 0.000 1.377 247 H HN 0.545 nan 8.280 nan 0.000 0.504 248 G N 0.180 108.982 108.800 0.003 0.000 2.797 248 G HA2 -0.207 3.762 3.960 0.016 0.000 0.195 248 G HA3 -0.207 3.762 3.960 0.016 0.000 0.195 248 G C -0.047 174.939 174.900 0.143 0.000 1.026 248 G CA 0.142 45.259 45.100 0.029 0.000 0.759 248 G HN 0.489 nan 8.290 nan 0.000 0.475 249 D N 1.407 121.941 120.400 0.224 0.000 2.472 249 D HA 0.166 4.816 4.640 0.016 0.000 0.248 249 D C 1.708 178.115 176.300 0.178 0.000 1.174 249 D CA 0.168 54.308 54.000 0.233 0.000 0.883 249 D CB 1.301 42.285 40.800 0.308 0.000 1.149 249 D HN 0.184 nan 8.370 nan 0.000 0.488 250 L N 5.596 126.891 121.223 0.119 0.000 2.056 250 L HA -0.134 4.215 4.340 0.016 0.000 0.207 250 L C 2.104 179.042 176.870 0.113 0.000 1.078 250 L CA 1.402 56.311 54.840 0.114 0.000 0.749 250 L CB -0.301 41.760 42.059 0.003 0.000 0.901 250 L HN 0.555 nan 8.230 nan 0.000 0.433 251 L N -0.181 121.071 121.223 0.048 0.000 1.994 251 L HA -0.195 4.155 4.340 0.016 0.000 0.208 251 L C 3.055 180.020 176.870 0.158 0.000 1.071 251 L CA 1.849 56.744 54.840 0.092 0.000 0.745 251 L CB -1.267 40.845 42.059 0.089 0.000 0.892 251 L HN 0.469 nan 8.230 nan 0.000 0.431 252 E N -0.670 119.642 120.200 0.187 0.000 2.070 252 E HA -0.343 4.017 4.350 0.016 0.000 0.197 252 E C 2.228 178.900 176.600 0.121 0.000 1.004 252 E CA 1.792 58.278 56.400 0.144 0.000 0.805 252 E CB -1.602 28.177 29.700 0.131 0.000 0.744 252 E HN 0.628 nan 8.360 nan 0.000 0.451 253 c N 0.100 118.780 118.600 0.134 0.000 2.435 253 c HA 0.331 4.911 4.570 0.016 0.000 0.279 253 c C 3.076 177.247 174.090 0.135 0.000 1.321 253 c CA 1.607 57.999 56.329 0.106 0.000 1.752 253 c CB -1.011 41.559 42.510 0.100 0.000 1.959 253 c HN 0.708 nan 8.230 nan 0.000 0.500 254 A N 0.384 123.330 122.820 0.210 0.000 1.898 254 A HA -0.097 4.232 4.320 0.016 0.000 0.216 254 A C 1.925 179.607 177.584 0.164 0.000 1.181 254 A CA 2.052 54.233 52.037 0.241 0.000 0.620 254 A CB -0.634 18.487 19.000 0.201 0.000 0.819 254 A HN 0.622 nan 8.150 nan 0.000 0.442 255 D N 0.135 120.617 120.400 0.137 0.000 2.123 255 D HA -0.097 4.553 4.640 0.016 0.000 0.200 255 D C 1.304 177.663 176.300 0.098 0.000 0.976 255 D CA 1.207 55.278 54.000 0.119 0.000 0.831 255 D CB -0.446 40.424 40.800 0.117 0.000 0.974 255 D HN 0.313 nan 8.370 nan 0.000 0.469 256 D N 0.728 121.179 120.400 0.085 0.000 2.116 256 D HA -0.125 4.524 4.640 0.016 0.000 0.193 256 D C 2.175 178.515 176.300 0.066 0.000 0.998 256 D CA 0.883 54.921 54.000 0.062 0.000 0.836 256 D CB -0.100 40.730 40.800 0.049 0.000 0.951 256 D HN 0.195 nan 8.370 nan 0.000 0.449 257 R N 0.438 120.983 120.500 0.075 0.000 2.092 257 R HA 0.031 4.380 4.340 0.016 0.000 0.231 257 R C 2.281 178.638 176.300 0.096 0.000 1.119 257 R CA 1.093 57.239 56.100 0.078 0.000 0.970 257 R CB -0.238 30.104 30.300 0.070 0.000 0.864 257 R HN 0.101 nan 8.270 nan 0.000 0.440 258 A N 1.734 124.618 122.820 0.107 0.000 1.858 258 A HA -0.206 4.123 4.320 0.016 0.000 0.216 258 A C 1.626 179.268 177.584 0.098 0.000 1.190 258 A CA 1.763 53.862 52.037 0.104 0.000 0.617 258 A CB -0.505 18.561 19.000 0.109 0.000 0.827 258 A HN 0.142 nan 8.150 nan 0.000 0.443 259 D N -0.402 120.055 120.400 0.095 0.000 2.106 259 D HA -0.174 4.476 4.640 0.016 0.000 0.191 259 D C 1.824 178.191 176.300 0.113 0.000 0.997 259 D CA 1.665 55.722 54.000 0.095 0.000 0.834 259 D CB -0.518 40.326 40.800 0.073 0.000 0.956 259 D HN 0.323 nan 8.370 nan 0.000 0.448 260 L N 0.519 121.799 121.223 0.095 0.000 2.191 260 L HA -0.037 4.312 4.340 0.016 0.000 0.212 260 L C 1.985 178.941 176.870 0.144 0.000 1.103 260 L CA 1.524 56.433 54.840 0.114 0.000 0.769 260 L CB -0.557 41.545 42.059 0.072 0.000 0.908 260 L HN -0.032 nan 8.230 nan 0.000 0.438 261 A N -0.048 122.838 122.820 0.109 0.000 1.970 261 A HA -0.160 4.170 4.320 0.016 0.000 0.216 261 A C 2.319 179.946 177.584 0.071 0.000 1.170 261 A CA 1.382 53.472 52.037 0.088 0.000 0.645 261 A CB -0.481 18.567 19.000 0.080 0.000 0.816 261 A HN 0.622 nan 8.150 nan 0.000 0.447 262 K N -1.658 118.792 120.400 0.084 0.000 2.062 262 K HA -0.162 4.168 4.320 0.016 0.000 0.205 262 K C 1.989 178.614 176.600 0.041 0.000 1.051 262 K CA 1.500 57.822 56.287 0.059 0.000 0.941 262 K CB -0.605 31.938 32.500 0.073 0.000 0.719 262 K HN 0.377 nan 8.250 nan 0.000 0.440 263 Y N 2.078 122.378 120.300 -0.000 0.000 2.165 263 Y HA -0.139 4.420 4.550 0.016 0.000 0.286 263 Y C 1.870 177.749 175.900 -0.035 0.000 1.155 263 Y CA 1.538 59.630 58.100 -0.014 0.000 1.164 263 Y CB -0.066 38.387 38.460 -0.011 0.000 0.978 263 Y HN -0.016 nan 8.280 nan 0.000 0.513 264 I N -1.004 119.529 120.570 -0.060 0.000 2.286 264 I HA -0.350 3.829 4.170 0.016 0.000 0.248 264 I C 2.310 178.298 176.117 -0.215 0.000 1.115 264 I CA 1.214 62.419 61.300 -0.158 0.000 1.392 264 I CB -0.640 37.347 38.000 -0.023 0.000 1.065 264 I HN 0.378 nan 8.210 nan 0.000 0.418 265 C N 0.532 119.751 119.300 -0.135 0.000 2.450 265 C HA -0.075 4.395 4.460 0.016 0.000 0.279 265 C C 2.616 177.521 174.990 -0.142 0.000 1.335 265 C CA 0.507 59.458 59.018 -0.113 0.000 1.749 265 C CB -0.844 26.864 27.740 -0.053 0.000 1.963 265 C HN 0.480 nan 8.230 nan 0.000 0.501 266 E N 0.801 120.895 120.200 -0.177 0.000 2.046 266 E HA -0.102 4.258 4.350 0.016 0.000 0.190 266 E C 1.174 177.639 176.600 -0.225 0.000 0.982 266 E CA 0.792 57.089 56.400 -0.171 0.000 0.800 266 E CB -0.225 29.381 29.700 -0.156 0.000 0.756 266 E HN 0.689 nan 8.360 nan 0.000 0.449 267 N N 1.518 119.995 118.700 -0.371 0.000 2.362 267 N HA -0.058 4.692 4.740 0.016 0.000 0.211 267 N C 1.419 176.765 175.510 -0.273 0.000 1.170 267 N CA -0.173 52.666 53.050 -0.352 0.000 0.828 267 N CB 0.266 38.421 38.487 -0.555 0.000 1.034 267 N HN 0.241 nan 8.380 nan 0.000 0.475 268 Q N 1.600 121.264 119.800 -0.226 0.000 2.062 268 Q HA -0.236 4.114 4.340 0.016 0.000 0.209 268 Q C 0.730 176.631 176.000 -0.165 0.000 0.996 268 Q CA 1.807 57.494 55.803 -0.193 0.000 0.859 268 Q CB 0.075 28.729 28.738 -0.139 0.000 0.920 268 Q HN 0.202 nan 8.270 nan 0.000 0.415 269 D N -0.264 120.061 120.400 -0.125 0.000 2.221 269 D HA -0.088 4.562 4.640 0.016 0.000 0.204 269 D C 1.579 177.822 176.300 -0.095 0.000 0.982 269 D CA 0.951 54.894 54.000 -0.094 0.000 0.857 269 D CB -0.149 40.609 40.800 -0.070 0.000 0.934 269 D HN 0.142 nan 8.370 nan 0.000 0.475 270 S N -1.062 114.567 115.700 -0.118 0.000 2.603 270 S HA 0.147 4.627 4.470 0.016 0.000 0.220 270 S C 1.589 176.113 174.600 -0.126 0.000 0.967 270 S CA 0.003 58.142 58.200 -0.102 0.000 0.920 270 S CB 0.259 63.397 63.200 -0.103 0.000 0.773 270 S HN 0.174 nan 8.310 nan 0.000 0.529 271 I N -1.706 118.747 120.570 -0.194 0.000 3.746 271 I HA 0.290 4.469 4.170 0.016 0.000 0.262 271 I C 0.506 176.443 176.117 -0.300 0.000 1.153 271 I CA -0.055 61.057 61.300 -0.313 0.000 1.395 271 I CB 0.692 38.364 38.000 -0.547 0.000 1.589 271 I HN 0.114 nan 8.210 nan 0.000 0.441 272 S N -0.728 114.815 115.700 -0.262 0.000 2.588 272 S HA 0.308 4.788 4.470 0.016 0.000 0.269 272 S C 0.233 174.790 174.600 -0.072 0.000 1.157 272 S CA 0.035 58.168 58.200 -0.111 0.000 0.824 272 S CB 1.444 64.621 63.200 -0.038 0.000 1.126 272 S HN 0.222 nan 8.310 nan 0.000 0.464 273 S N 1.353 117.041 115.700 -0.021 0.000 2.517 273 S HA 0.236 4.716 4.470 0.016 0.000 0.214 273 S C 0.624 175.220 174.600 -0.008 0.000 0.991 273 S CA -0.228 57.959 58.200 -0.021 0.000 0.906 273 S CB -0.142 63.050 63.200 -0.013 0.000 0.789 273 S HN 0.601 nan 8.310 nan 0.000 0.513 274 K N 1.548 121.956 120.400 0.014 0.000 2.520 274 K HA 0.341 4.671 4.320 0.016 0.000 0.205 274 K C 0.409 177.023 176.600 0.023 0.000 1.035 274 K CA 0.023 56.325 56.287 0.024 0.000 1.188 274 K CB -0.069 32.457 32.500 0.044 0.000 0.894 274 K HN 0.473 nan 8.250 nan 0.000 0.497 275 L N -0.098 121.124 121.223 -0.002 0.000 2.667 275 L HA 0.077 4.427 4.340 0.016 0.000 0.232 275 L C 2.375 179.237 176.870 -0.014 0.000 1.138 275 L CA -0.059 54.776 54.840 -0.009 0.000 0.921 275 L CB -0.622 41.407 42.059 -0.051 0.000 1.180 275 L HN 0.049 nan 8.230 nan 0.000 0.487 276 K N 1.304 121.698 120.400 -0.011 0.000 2.001 276 K HA -0.289 4.040 4.320 0.016 0.000 0.223 276 K C 2.181 178.780 176.600 -0.002 0.000 1.055 276 K CA 2.574 58.855 56.287 -0.010 0.000 0.965 276 K CB -1.415 31.081 32.500 -0.006 0.000 0.730 276 K HN 0.452 nan 8.250 nan 0.000 0.449 277 E N 0.164 120.367 120.200 0.005 0.000 2.007 277 E HA -0.214 4.146 4.350 0.016 0.000 0.203 277 E C 2.422 179.030 176.600 0.014 0.000 1.020 277 E CA 1.919 58.327 56.400 0.012 0.000 0.845 277 E CB -1.587 28.124 29.700 0.017 0.000 0.779 277 E HN 0.779 nan 8.360 nan 0.000 0.466 278 c N 0.135 118.745 118.600 0.016 0.000 2.397 278 c HA -0.228 4.352 4.570 0.016 0.000 0.279 278 c C 2.818 176.917 174.090 0.016 0.000 1.206 278 c CA 1.064 57.405 56.329 0.020 0.000 1.818 278 c CB -1.604 40.918 42.510 0.020 0.000 2.087 278 c HN 0.817 nan 8.230 nan 0.000 0.488 279 C N -0.021 119.282 119.300 0.005 0.000 2.563 279 C HA 0.025 4.495 4.460 0.016 0.000 0.268 279 C C 2.229 177.221 174.990 0.003 0.000 1.365 279 C CA 0.187 59.204 59.018 -0.001 0.000 1.754 279 C CB -1.283 26.445 27.740 -0.020 0.000 1.932 279 C HN 0.638 nan 8.230 nan 0.000 0.536 280 E N 0.976 121.180 120.200 0.007 0.000 2.385 280 E HA 0.012 4.372 4.350 0.016 0.000 0.194 280 E C 0.633 177.243 176.600 0.017 0.000 1.013 280 E CA 0.286 56.691 56.400 0.009 0.000 0.866 280 E CB 0.237 29.942 29.700 0.008 0.000 0.832 280 E HN 0.626 nan 8.360 nan 0.000 0.500 281 K N 1.599 122.013 120.400 0.023 0.000 2.230 281 K HA 0.127 4.457 4.320 0.016 0.000 0.253 281 K C -2.344 174.274 176.600 0.030 0.000 1.008 281 K CA -1.485 54.820 56.287 0.030 0.000 0.910 281 K CB 0.026 32.550 32.500 0.040 0.000 0.994 281 K HN -0.177 nan 8.250 nan 0.000 0.495 282 P HA -0.071 nan 4.420 nan 0.000 0.270 282 P C 0.631 177.951 177.300 0.033 0.000 1.223 282 P CA -0.136 62.980 63.100 0.027 0.000 0.785 282 P CB 0.475 32.190 31.700 0.025 0.000 0.923 283 L N 3.447 124.686 121.223 0.027 0.000 1.991 283 L HA -0.236 4.113 4.340 0.016 0.000 0.221 283 L C 2.022 178.922 176.870 0.049 0.000 1.079 283 L CA 2.046 56.907 54.840 0.035 0.000 0.778 283 L CB -1.499 40.572 42.059 0.019 0.000 0.893 283 L HN 0.293 nan 8.230 nan 0.000 0.437 284 L N -0.711 120.536 121.223 0.040 0.000 2.189 284 L HA -0.231 4.119 4.340 0.016 0.000 0.214 284 L C 2.197 179.104 176.870 0.061 0.000 1.097 284 L CA 2.030 56.898 54.840 0.047 0.000 0.764 284 L CB -0.393 41.685 42.059 0.031 0.000 0.900 284 L HN 0.493 nan 8.230 nan 0.000 0.436 285 E N -2.089 118.147 120.200 0.060 0.000 2.473 285 E HA -0.038 4.321 4.350 0.016 0.000 0.204 285 E C 1.825 178.475 176.600 0.082 0.000 0.994 285 E CA -0.171 56.271 56.400 0.069 0.000 0.945 285 E CB 0.202 29.941 29.700 0.065 0.000 0.990 285 E HN 0.326 nan 8.360 nan 0.000 0.493 286 K N 1.050 121.493 120.400 0.071 0.000 2.001 286 K HA -0.188 4.141 4.320 0.016 0.000 0.214 286 K C 2.225 178.868 176.600 0.070 0.000 1.050 286 K CA 2.022 58.346 56.287 0.062 0.000 0.934 286 K CB -0.088 32.446 32.500 0.056 0.000 0.718 286 K HN 0.031 nan 8.250 nan 0.000 0.443 287 S N 0.125 115.881 115.700 0.093 0.000 2.351 287 S HA -0.240 4.240 4.470 0.016 0.000 0.220 287 S C 1.909 176.556 174.600 0.079 0.000 1.035 287 S CA 1.800 60.058 58.200 0.096 0.000 1.031 287 S CB -0.796 62.480 63.200 0.126 0.000 0.928 287 S HN 0.451 nan 8.310 nan 0.000 0.433 288 H N 0.571 119.638 119.070 -0.005 0.000 2.353 288 H HA -0.121 4.444 4.556 0.016 0.000 0.298 288 H C 2.442 177.711 175.328 -0.098 0.000 1.103 288 H CA 1.710 57.706 56.048 -0.085 0.000 1.293 288 H CB -0.820 28.822 29.762 -0.201 0.000 1.372 288 H HN 0.473 nan 8.280 nan 0.000 0.501 289 c N -0.258 118.332 118.600 -0.017 0.000 2.442 289 c HA -0.126 4.453 4.570 0.016 0.000 0.279 289 c C 2.812 176.866 174.090 -0.061 0.000 1.237 289 c CA 1.245 57.547 56.329 -0.045 0.000 1.722 289 c CB -1.338 41.185 42.510 0.022 0.000 2.056 289 c HN 0.697 nan 8.230 nan 0.000 0.469 290 I N 1.579 122.143 120.570 -0.010 0.000 2.151 290 I HA -0.246 3.934 4.170 0.016 0.000 0.243 290 I C 2.782 178.903 176.117 0.006 0.000 1.080 290 I CA 1.917 63.235 61.300 0.029 0.000 1.339 290 I CB -0.527 37.511 38.000 0.064 0.000 1.039 290 I HN 0.439 nan 8.210 nan 0.000 0.409 291 A N -0.299 122.494 122.820 -0.044 0.000 2.076 291 A HA -0.251 4.078 4.320 0.016 0.000 0.220 291 A C 2.139 179.649 177.584 -0.123 0.000 1.160 291 A CA 2.060 54.054 52.037 -0.070 0.000 0.653 291 A CB -0.441 18.508 19.000 -0.086 0.000 0.801 291 A HN 0.443 nan 8.150 nan 0.000 0.455 292 E N -1.058 119.040 120.200 -0.170 0.000 2.481 292 E HA 0.195 4.555 4.350 0.016 0.000 0.198 292 E C 0.367 176.915 176.600 -0.086 0.000 1.027 292 E CA -0.189 56.116 56.400 -0.157 0.000 0.900 292 E CB -0.003 29.557 29.700 -0.235 0.000 0.993 292 E HN 0.190 nan 8.360 nan 0.000 0.482 293 V N 1.431 121.314 119.914 -0.051 0.000 2.928 293 V HA 0.160 4.289 4.120 0.016 0.000 0.307 293 V C 0.359 176.435 176.094 -0.030 0.000 1.105 293 V CA 0.954 63.249 62.300 -0.009 0.000 1.223 293 V CB 0.534 32.395 31.823 0.064 0.000 0.930 293 V HN 0.435 nan 8.190 nan 0.000 0.499 294 E N 4.727 124.920 120.200 -0.012 0.000 2.345 294 E HA 0.337 4.697 4.350 0.016 0.000 0.259 294 E C 0.015 176.598 176.600 -0.029 0.000 1.117 294 E CA -0.734 55.650 56.400 -0.026 0.000 0.913 294 E CB 0.214 29.907 29.700 -0.012 0.000 1.057 294 E HN 0.853 nan 8.360 nan 0.000 0.432 295 N N 2.006 120.672 118.700 -0.057 0.000 2.454 295 N HA 0.107 4.857 4.740 0.016 0.000 0.260 295 N C -0.530 174.969 175.510 -0.018 0.000 1.218 295 N CA -0.156 52.854 53.050 -0.067 0.000 0.904 295 N CB 0.825 39.258 38.487 -0.090 0.000 1.065 295 N HN 0.695 nan 8.380 nan 0.000 0.462 296 D N 0.828 121.241 120.400 0.021 0.000 2.344 296 D HA 0.028 4.678 4.640 0.016 0.000 0.244 296 D C -0.287 176.010 176.300 -0.005 0.000 1.134 296 D CA -0.134 53.888 54.000 0.036 0.000 0.930 296 D CB 0.703 41.556 40.800 0.088 0.000 1.175 296 D HN 0.324 nan 8.370 nan 0.000 0.437 297 E N 0.768 120.961 120.200 -0.012 0.000 2.384 297 E HA 0.103 4.463 4.350 0.016 0.000 0.266 297 E C -0.104 176.473 176.600 -0.038 0.000 1.012 297 E CA -0.113 56.267 56.400 -0.032 0.000 0.901 297 E CB 0.555 30.237 29.700 -0.029 0.000 0.967 297 E HN 0.377 nan 8.360 nan 0.000 0.435 298 M N 2.843 122.403 119.600 -0.066 0.000 2.217 298 M HA 0.358 4.847 4.480 0.016 0.000 0.354 298 M C -2.215 174.042 176.300 -0.071 0.000 1.225 298 M CA -1.934 53.317 55.300 -0.082 0.000 1.137 298 M CB 0.039 32.560 32.600 -0.131 0.000 1.576 298 M HN 0.068 nan 8.290 nan 0.000 0.461 299 P HA -0.073 nan 4.420 nan 0.000 0.264 299 P C 0.045 177.307 177.300 -0.064 0.000 1.173 299 P CA 0.461 63.532 63.100 -0.048 0.000 0.761 299 P CB 0.602 32.279 31.700 -0.038 0.000 0.794 300 A N 2.140 124.929 122.820 -0.052 0.000 2.072 300 A HA 0.117 4.446 4.320 0.016 0.000 0.216 300 A C 1.308 178.860 177.584 -0.054 0.000 1.156 300 A CA 1.298 53.301 52.037 -0.057 0.000 0.701 300 A CB -1.023 17.951 19.000 -0.044 0.000 0.816 300 A HN 0.575 nan 8.150 nan 0.000 0.458 301 D N 0.442 120.816 120.400 -0.043 0.000 2.564 301 D HA 0.566 5.215 4.640 0.016 0.000 0.226 301 D C -0.519 175.757 176.300 -0.040 0.000 1.149 301 D CA -0.233 53.746 54.000 -0.036 0.000 0.994 301 D CB -0.463 40.324 40.800 -0.022 0.000 1.029 301 D HN 0.308 nan 8.370 nan 0.000 0.517 302 L N 1.781 122.970 121.223 -0.057 0.000 2.388 302 L HA 0.382 4.731 4.340 0.016 0.000 0.267 302 L C -1.931 174.902 176.870 -0.062 0.000 0.995 302 L CA -1.501 53.299 54.840 -0.067 0.000 0.864 302 L CB 1.619 43.611 42.059 -0.111 0.000 1.216 302 L HN 0.281 nan 8.230 nan 0.000 0.430 303 P HA -0.037 nan 4.420 nan 0.000 0.273 303 P C -0.039 177.250 177.300 -0.019 0.000 1.248 303 P CA -0.003 63.087 63.100 -0.017 0.000 0.817 303 P CB 0.493 32.193 31.700 0.001 0.000 0.995 304 S N -1.071 114.634 115.700 0.009 0.000 2.632 304 S HA 0.227 4.707 4.470 0.016 0.000 0.271 304 S C 1.057 175.719 174.600 0.104 0.000 1.260 304 S CA -0.592 57.630 58.200 0.036 0.000 1.010 304 S CB 0.014 63.248 63.200 0.057 0.000 0.965 304 S HN 0.327 nan 8.310 nan 0.000 0.534 305 L N 2.621 123.947 121.223 0.173 0.000 2.354 305 L HA 0.205 4.555 4.340 0.016 0.000 0.212 305 L C 2.622 179.792 176.870 0.501 0.000 1.091 305 L CA 0.813 55.882 54.840 0.382 0.000 0.828 305 L CB -0.610 41.594 42.059 0.242 0.000 0.973 305 L HN 0.828 nan 8.230 nan 0.000 0.461 306 A N 0.340 123.376 122.820 0.360 0.000 2.070 306 A HA -0.103 4.226 4.320 0.016 0.000 0.220 306 A C 2.463 180.072 177.584 0.041 0.000 1.159 306 A CA 1.526 53.592 52.037 0.048 0.000 0.656 306 A CB -0.420 18.585 19.000 0.007 0.000 0.800 306 A HN 0.379 nan 8.150 nan 0.000 0.453 307 A N -0.456 122.411 122.820 0.078 0.000 1.897 307 A HA -0.112 4.218 4.320 0.016 0.000 0.215 307 A C 1.708 179.277 177.584 -0.025 0.000 1.181 307 A CA 1.610 53.662 52.037 0.025 0.000 0.620 307 A CB -0.218 18.797 19.000 0.025 0.000 0.821 307 A HN 0.462 nan 8.150 nan 0.000 0.443 308 D N -2.441 117.907 120.400 -0.087 0.000 2.379 308 D HA 0.185 4.835 4.640 0.016 0.000 0.208 308 D C 0.363 176.288 176.300 -0.625 0.000 1.065 308 D CA 0.433 54.210 54.000 -0.371 0.000 0.848 308 D CB 0.284 40.738 40.800 -0.577 0.000 0.949 308 D HN 0.483 nan 8.370 nan 0.000 0.509 309 F N -0.573 119.456 119.950 0.131 0.000 2.778 309 F HA 0.103 4.640 4.527 0.017 0.000 0.314 309 F C 1.902 177.737 175.800 0.058 0.000 1.073 309 F CA 0.014 58.115 58.000 0.170 0.000 1.218 309 F CB 0.457 39.583 39.000 0.210 0.000 1.037 309 F HN -0.217 nan 8.300 nan 0.000 0.594 310 V N -0.690 119.264 119.914 0.066 0.000 2.743 310 V HA 0.037 4.167 4.120 0.016 0.000 0.237 310 V C 1.693 177.889 176.094 0.170 0.000 1.113 310 V CA 1.170 63.474 62.300 0.007 0.000 1.141 310 V CB 0.109 31.731 31.823 -0.335 0.000 0.873 310 V HN 0.084 nan 8.190 nan 0.000 0.486 311 E N 0.414 120.655 120.200 0.069 0.000 2.102 311 E HA 0.041 4.401 4.350 0.016 0.000 0.190 311 E C 1.271 177.919 176.600 0.080 0.000 0.971 311 E CA 0.672 57.116 56.400 0.073 0.000 0.821 311 E CB 0.025 29.737 29.700 0.021 0.000 0.777 311 E HN 0.444 nan 8.360 nan 0.000 0.460 312 S N 0.368 116.099 115.700 0.051 0.000 2.559 312 S HA 0.042 4.522 4.470 0.016 0.000 0.282 312 S C 1.226 175.871 174.600 0.076 0.000 1.336 312 S CA 0.577 58.799 58.200 0.038 0.000 1.037 312 S CB 1.281 64.483 63.200 0.004 0.000 0.853 312 S HN 0.233 nan 8.310 nan 0.000 0.523 313 K N 1.979 122.411 120.400 0.054 0.000 2.103 313 K HA -0.006 4.323 4.320 0.016 0.000 0.204 313 K C 0.966 177.604 176.600 0.063 0.000 1.052 313 K CA 1.626 57.952 56.287 0.065 0.000 0.945 313 K CB -0.827 31.692 32.500 0.031 0.000 0.722 313 K HN 0.898 nan 8.250 nan 0.000 0.443 314 D N 0.734 121.149 120.400 0.026 0.000 2.690 314 D HA 0.062 4.712 4.640 0.016 0.000 0.236 314 D C 1.108 177.378 176.300 -0.050 0.000 1.218 314 D CA -0.082 53.914 54.000 -0.007 0.000 0.829 314 D CB 0.514 41.300 40.800 -0.023 0.000 1.009 314 D HN 0.098 nan 8.370 nan 0.000 0.482 315 V N -0.092 119.814 119.914 -0.014 0.000 2.358 315 V HA -0.259 3.871 4.120 0.016 0.000 0.246 315 V C 2.162 178.122 176.094 -0.223 0.000 1.047 315 V CA 1.652 63.901 62.300 -0.085 0.000 1.035 315 V CB -0.067 31.723 31.823 -0.054 0.000 0.658 315 V HN 0.375 nan 8.190 nan 0.000 0.452 316 c N -0.188 118.364 118.600 -0.080 0.000 2.450 316 c HA -0.061 4.519 4.570 0.016 0.000 0.279 316 c C 2.654 176.698 174.090 -0.077 0.000 1.335 316 c CA 1.231 57.547 56.329 -0.021 0.000 1.749 316 c CB -0.913 41.637 42.510 0.068 0.000 1.963 316 c HN 0.590 nan 8.230 nan 0.000 0.501 317 K N 1.291 121.634 120.400 -0.095 0.000 2.057 317 K HA -0.133 4.197 4.320 0.016 0.000 0.207 317 K C 1.472 177.965 176.600 -0.178 0.000 1.049 317 K CA 1.699 57.923 56.287 -0.105 0.000 0.931 317 K CB -0.423 32.036 32.500 -0.069 0.000 0.714 317 K HN 0.578 nan 8.250 nan 0.000 0.440 318 N N -0.702 117.823 118.700 -0.291 0.000 2.270 318 N HA -0.150 4.600 4.740 0.016 0.000 0.181 318 N C 1.677 176.829 175.510 -0.595 0.000 1.016 318 N CA 0.730 53.535 53.050 -0.409 0.000 0.870 318 N CB -0.136 38.069 38.487 -0.470 0.000 0.979 318 N HN 0.187 nan 8.380 nan 0.000 0.431 319 Y N 1.626 121.384 120.300 -0.904 0.000 2.184 319 Y HA 0.026 4.586 4.550 0.018 0.000 0.290 319 Y C 2.222 177.980 175.900 -0.236 0.000 1.129 319 Y CA 1.222 58.940 58.100 -0.637 0.000 1.144 319 Y CB -0.669 37.505 38.460 -0.475 0.000 0.995 319 Y HN 0.007 nan 8.280 nan 0.000 0.513 320 A N 0.254 122.850 122.820 -0.374 0.000 2.019 320 A HA -0.215 4.115 4.320 0.016 0.000 0.219 320 A C 2.185 179.621 177.584 -0.248 0.000 1.164 320 A CA 1.736 53.551 52.037 -0.371 0.000 0.644 320 A CB -0.928 17.951 19.000 -0.201 0.000 0.805 320 A HN 0.685 nan 8.150 nan 0.000 0.449 321 E N -0.339 119.750 120.200 -0.184 0.000 2.153 321 E HA 0.080 4.439 4.350 0.016 0.000 0.194 321 E C 0.451 177.004 176.600 -0.079 0.000 0.988 321 E CA 1.174 57.508 56.400 -0.110 0.000 0.811 321 E CB -0.111 29.538 29.700 -0.085 0.000 0.746 321 E HN 0.521 nan 8.360 nan 0.000 0.466 322 A N 0.187 122.960 122.820 -0.078 0.000 2.893 322 A HA 0.213 4.543 4.320 0.016 0.000 0.298 322 A C 0.156 177.767 177.584 0.044 0.000 1.227 322 A CA -0.636 51.399 52.037 -0.003 0.000 0.845 322 A CB 0.516 19.552 19.000 0.061 0.000 1.430 322 A HN 0.082 nan 8.150 nan 0.000 0.493 323 K N 0.318 120.675 120.400 -0.071 0.000 2.044 323 K HA -0.194 4.136 4.320 0.016 0.000 0.210 323 K C 0.739 177.505 176.600 0.277 0.000 1.049 323 K CA 2.040 58.316 56.287 -0.019 0.000 0.927 323 K CB 0.069 32.438 32.500 -0.217 0.000 0.713 323 K HN 0.643 nan 8.250 nan 0.000 0.443 324 D N 0.386 120.902 120.400 0.193 0.000 2.149 324 D HA -0.089 4.561 4.640 0.016 0.000 0.201 324 D C 1.998 178.456 176.300 0.263 0.000 0.972 324 D CA 0.812 54.944 54.000 0.221 0.000 0.835 324 D CB -0.107 40.789 40.800 0.161 0.000 0.966 324 D HN -0.055 nan 8.370 nan 0.000 0.476 325 V N 0.816 120.885 119.914 0.257 0.000 2.515 325 V HA -0.183 3.947 4.120 0.016 0.000 0.250 325 V C 2.088 178.332 176.094 0.250 0.000 1.058 325 V CA 0.905 63.373 62.300 0.279 0.000 1.064 325 V CB -0.472 31.495 31.823 0.241 0.000 0.675 325 V HN 0.048 nan 8.190 nan 0.000 0.461 326 F N 0.447 120.502 119.950 0.175 0.000 2.113 326 F HA -0.081 4.455 4.527 0.015 0.000 0.297 326 F C 2.026 178.011 175.800 0.308 0.000 1.103 326 F CA 1.491 59.631 58.000 0.233 0.000 1.248 326 F CB -0.272 38.927 39.000 0.333 0.000 0.999 326 F HN 0.009 nan 8.300 nan 0.000 0.475 327 L N -0.519 120.930 121.223 0.376 0.000 2.083 327 L HA -0.130 4.219 4.340 0.016 0.000 0.209 327 L C 2.719 179.734 176.870 0.242 0.000 1.083 327 L CA 1.344 56.356 54.840 0.287 0.000 0.752 327 L CB -1.378 40.861 42.059 0.300 0.000 0.899 327 L HN 0.295 nan 8.230 nan 0.000 0.433 328 G N -0.799 108.154 108.800 0.255 0.000 2.432 328 G HA2 -0.282 3.687 3.960 0.016 0.000 0.219 328 G HA3 -0.282 3.687 3.960 0.016 0.000 0.219 328 G C 1.639 176.725 174.900 0.310 0.000 1.135 328 G CA 0.557 45.850 45.100 0.322 0.000 0.767 328 G HN 0.199 nan 8.290 nan 0.000 0.550 329 M N -0.829 118.766 119.600 -0.009 0.000 2.175 329 M HA 0.115 4.605 4.480 0.016 0.000 0.264 329 M C 2.145 178.460 176.300 0.025 0.000 1.063 329 M CA 1.009 56.158 55.300 -0.252 0.000 1.119 329 M CB -0.145 32.220 32.600 -0.390 0.000 1.377 329 M HN 0.284 nan 8.290 nan 0.000 0.415 330 F N 0.521 120.321 119.950 -0.250 0.000 2.102 330 F HA -0.212 4.323 4.527 0.015 0.000 0.298 330 F C 1.804 177.436 175.800 -0.280 0.000 1.105 330 F CA 1.590 59.217 58.000 -0.621 0.000 1.239 330 F CB -0.358 38.263 39.000 -0.631 0.000 0.991 330 F HN -0.012 nan 8.300 nan 0.000 0.474 331 L N -0.698 120.515 121.223 -0.017 0.000 1.970 331 L HA -0.298 4.052 4.340 0.016 0.000 0.212 331 L C 2.569 179.412 176.870 -0.044 0.000 1.071 331 L CA 2.235 57.041 54.840 -0.056 0.000 0.751 331 L CB -1.044 41.058 42.059 0.072 0.000 0.889 331 L HN 0.357 nan 8.230 nan 0.000 0.432 332 Y N 0.741 121.037 120.300 -0.005 0.000 2.151 332 Y HA -0.299 4.261 4.550 0.016 0.000 0.284 332 Y C 2.538 178.409 175.900 -0.050 0.000 1.166 332 Y CA 1.806 59.934 58.100 0.045 0.000 1.163 332 Y CB -0.089 38.559 38.460 0.313 0.000 0.974 332 Y HN 0.184 nan 8.280 nan 0.000 0.511 333 E N -0.492 119.616 120.200 -0.152 0.000 2.028 333 E HA -0.217 4.142 4.350 0.016 0.000 0.191 333 E C 2.092 178.447 176.600 -0.408 0.000 0.988 333 E CA 1.458 57.668 56.400 -0.317 0.000 0.799 333 E CB -0.987 28.628 29.700 -0.142 0.000 0.755 333 E HN 0.605 nan 8.360 nan 0.000 0.447 334 Y N 1.174 121.117 120.300 -0.596 0.000 2.242 334 Y HA -0.157 4.403 4.550 0.017 0.000 0.291 334 Y C 2.237 177.901 175.900 -0.393 0.000 1.137 334 Y CA 1.129 58.889 58.100 -0.566 0.000 1.181 334 Y CB -0.479 37.477 38.460 -0.839 0.000 0.989 334 Y HN 0.029 nan 8.280 nan 0.000 0.527 335 A N 1.075 123.801 122.820 -0.156 0.000 1.835 335 A HA -0.232 4.098 4.320 0.016 0.000 0.215 335 A C 2.285 179.732 177.584 -0.229 0.000 1.199 335 A CA 2.091 54.029 52.037 -0.165 0.000 0.615 335 A CB -0.882 18.013 19.000 -0.174 0.000 0.838 335 A HN 0.551 nan 8.150 nan 0.000 0.444 336 R N -0.621 119.688 120.500 -0.319 0.000 2.261 336 R HA -0.087 4.262 4.340 0.016 0.000 0.236 336 R C 1.780 177.886 176.300 -0.323 0.000 1.141 336 R CA 1.708 57.612 56.100 -0.326 0.000 1.001 336 R CB -0.347 29.695 30.300 -0.430 0.000 0.866 336 R HN 0.460 nan 8.270 nan 0.000 0.468 337 R N -0.486 119.786 120.500 -0.380 0.000 2.254 337 R HA 0.117 4.467 4.340 0.016 0.000 0.195 337 R C 0.043 175.937 176.300 -0.676 0.000 0.957 337 R CA 0.357 56.152 56.100 -0.508 0.000 1.024 337 R CB 0.430 30.362 30.300 -0.612 0.000 0.952 337 R HN 0.298 nan 8.270 nan 0.000 0.484 338 H N -0.026 118.822 119.070 -0.369 0.000 2.448 338 H HA 0.180 4.747 4.556 0.019 0.000 0.237 338 H C -2.066 173.073 175.328 -0.314 0.000 1.391 338 H CA -1.971 53.792 56.048 -0.475 0.000 1.477 338 H CB 1.636 30.860 29.762 -0.898 0.000 1.520 338 H HN 0.044 nan 8.280 nan 0.000 0.502 339 P HA -0.030 nan 4.420 nan 0.000 0.245 339 P C 0.867 178.141 177.300 -0.043 0.000 1.212 339 P CA 0.529 63.567 63.100 -0.103 0.000 0.774 339 P CB 0.366 31.994 31.700 -0.120 0.000 0.999 340 D N -2.022 118.377 120.400 -0.001 0.000 2.325 340 D HA -0.052 4.597 4.640 0.016 0.000 0.225 340 D C -0.190 176.258 176.300 0.246 0.000 1.096 340 D CA -0.161 53.888 54.000 0.081 0.000 0.844 340 D CB -0.276 40.578 40.800 0.091 0.000 0.925 340 D HN 0.060 nan 8.370 nan 0.000 0.513 341 Y N 1.463 121.724 120.300 -0.064 0.000 2.457 341 Y HA 0.329 4.891 4.550 0.019 0.000 0.333 341 Y C 0.966 176.793 175.900 -0.122 0.000 1.119 341 Y CA -2.343 55.687 58.100 -0.117 0.000 1.143 341 Y CB 1.736 40.098 38.460 -0.164 0.000 1.230 341 Y HN -0.120 nan 8.280 nan 0.000 0.469 342 S N -0.187 115.505 115.700 -0.015 0.000 2.614 342 S HA 0.275 4.755 4.470 0.016 0.000 0.265 342 S C 0.927 175.492 174.600 -0.058 0.000 1.303 342 S CA -0.712 57.455 58.200 -0.054 0.000 1.000 342 S CB 1.107 64.258 63.200 -0.082 0.000 0.935 342 S HN 0.394 nan 8.310 nan 0.000 0.551 343 V N 1.379 121.258 119.914 -0.059 0.000 2.427 343 V HA -0.152 3.978 4.120 0.016 0.000 0.248 343 V C 2.536 178.594 176.094 -0.059 0.000 1.051 343 V CA 1.795 64.052 62.300 -0.072 0.000 1.048 343 V CB -1.057 30.733 31.823 -0.055 0.000 0.666 343 V HN 0.879 nan 8.190 nan 0.000 0.456 344 V N -1.433 118.456 119.914 -0.042 0.000 2.594 344 V HA -0.175 3.955 4.120 0.016 0.000 0.253 344 V C 2.343 178.366 176.094 -0.119 0.000 1.069 344 V CA 1.787 64.048 62.300 -0.065 0.000 1.082 344 V CB -0.916 30.871 31.823 -0.060 0.000 0.680 344 V HN 0.463 nan 8.190 nan 0.000 0.469 345 L N -0.013 121.119 121.223 -0.152 0.000 2.093 345 L HA 0.015 4.364 4.340 0.016 0.000 0.208 345 L C 2.241 178.950 176.870 -0.268 0.000 1.085 345 L CA 1.748 56.446 54.840 -0.236 0.000 0.755 345 L CB -0.651 41.209 42.059 -0.333 0.000 0.904 345 L HN 0.278 nan 8.230 nan 0.000 0.435 346 L N -1.255 119.842 121.223 -0.211 0.000 2.027 346 L HA -0.210 4.140 4.340 0.016 0.000 0.206 346 L C 2.464 179.196 176.870 -0.230 0.000 1.074 346 L CA 1.173 55.857 54.840 -0.259 0.000 0.745 346 L CB -0.569 41.380 42.059 -0.185 0.000 0.898 346 L HN 0.259 nan 8.230 nan 0.000 0.433 347 L N -0.715 120.422 121.223 -0.145 0.000 2.191 347 L HA -0.182 4.167 4.340 0.016 0.000 0.212 347 L C 2.671 179.477 176.870 -0.107 0.000 1.103 347 L CA 1.005 55.790 54.840 -0.092 0.000 0.769 347 L CB -0.562 41.463 42.059 -0.056 0.000 0.908 347 L HN 0.275 nan 8.230 nan 0.000 0.438 348 R N 0.123 120.531 120.500 -0.153 0.000 2.115 348 R HA -0.042 4.308 4.340 0.016 0.000 0.226 348 R C 2.248 178.429 176.300 -0.199 0.000 1.100 348 R CA 0.820 56.830 56.100 -0.150 0.000 0.980 348 R CB 0.083 30.286 30.300 -0.162 0.000 0.875 348 R HN 0.344 nan 8.270 nan 0.000 0.445 349 L N -0.803 120.216 121.223 -0.340 0.000 2.127 349 L HA 0.029 4.379 4.340 0.016 0.000 0.203 349 L C 2.547 179.259 176.870 -0.264 0.000 1.080 349 L CA 0.845 55.335 54.840 -0.583 0.000 0.768 349 L CB -0.449 40.974 42.059 -1.061 0.000 0.924 349 L HN 0.190 nan 8.230 nan 0.000 0.444 350 A N 0.754 123.519 122.820 -0.091 0.000 1.902 350 A HA -0.274 4.055 4.320 0.016 0.000 0.217 350 A C 2.302 179.924 177.584 0.064 0.000 1.181 350 A CA 2.198 54.295 52.037 0.101 0.000 0.623 350 A CB -0.412 18.658 19.000 0.117 0.000 0.818 350 A HN 0.301 nan 8.150 nan 0.000 0.443 351 K N -0.665 119.746 120.400 0.019 0.000 2.057 351 K HA -0.096 4.234 4.320 0.016 0.000 0.207 351 K C 1.936 178.566 176.600 0.050 0.000 1.049 351 K CA 2.148 58.453 56.287 0.031 0.000 0.931 351 K CB -0.701 31.804 32.500 0.007 0.000 0.714 351 K HN 0.345 nan 8.250 nan 0.000 0.440 352 T N 0.017 114.609 114.554 0.064 0.000 2.708 352 T HA -0.171 4.189 4.350 0.016 0.000 0.266 352 T C 1.333 176.153 174.700 0.201 0.000 1.037 352 T CA 1.568 63.754 62.100 0.143 0.000 1.146 352 T CB -0.545 68.457 68.868 0.224 0.000 0.865 352 T HN 0.328 nan 8.240 nan 0.000 0.435 353 Y N 2.028 122.361 120.300 0.055 0.000 2.097 353 Y HA -0.164 4.394 4.550 0.012 0.000 0.282 353 Y C 2.560 178.363 175.900 -0.162 0.000 1.152 353 Y CA 1.910 59.962 58.100 -0.079 0.000 1.136 353 Y CB -0.537 37.668 38.460 -0.426 0.000 0.975 353 Y HN 0.340 nan 8.280 nan 0.000 0.498 354 E N -0.977 119.152 120.200 -0.119 0.000 2.070 354 E HA -0.257 4.103 4.350 0.016 0.000 0.197 354 E C 2.008 178.533 176.600 -0.126 0.000 1.004 354 E CA 2.251 58.549 56.400 -0.171 0.000 0.805 354 E CB -0.406 29.302 29.700 0.014 0.000 0.744 354 E HN 0.469 nan 8.360 nan 0.000 0.451 355 T N -0.002 114.530 114.554 -0.036 0.000 2.720 355 T HA -0.147 4.213 4.350 0.016 0.000 0.268 355 T C 1.858 176.540 174.700 -0.031 0.000 1.037 355 T CA 1.851 63.948 62.100 -0.005 0.000 1.144 355 T CB -0.464 68.421 68.868 0.028 0.000 0.864 355 T HN 0.281 nan 8.240 nan 0.000 0.444 356 T N 2.148 116.666 114.554 -0.060 0.000 2.777 356 T HA 0.081 4.440 4.350 0.016 0.000 0.266 356 T C 1.933 176.559 174.700 -0.125 0.000 1.040 356 T CA 0.726 62.791 62.100 -0.057 0.000 1.141 356 T CB -0.341 68.515 68.868 -0.021 0.000 0.868 356 T HN 0.248 nan 8.240 nan 0.000 0.444 357 L N 0.917 121.940 121.223 -0.333 0.000 2.131 357 L HA -0.078 4.272 4.340 0.016 0.000 0.210 357 L C 2.734 179.554 176.870 -0.083 0.000 1.092 357 L CA 1.199 55.809 54.840 -0.382 0.000 0.759 357 L CB -0.520 40.969 42.059 -0.951 0.000 0.903 357 L HN 0.276 nan 8.230 nan 0.000 0.435 358 E N 0.448 120.636 120.200 -0.020 0.000 2.204 358 E HA -0.177 4.183 4.350 0.016 0.000 0.194 358 E C 2.363 178.993 176.600 0.049 0.000 0.989 358 E CA 1.467 57.911 56.400 0.073 0.000 0.824 358 E CB 0.046 29.789 29.700 0.071 0.000 0.756 358 E HN 0.542 nan 8.360 nan 0.000 0.477 359 K N 0.575 120.992 120.400 0.029 0.000 2.044 359 K HA -0.016 4.314 4.320 0.016 0.000 0.204 359 K C 2.289 178.914 176.600 0.043 0.000 1.045 359 K CA 1.129 57.435 56.287 0.033 0.000 0.951 359 K CB -1.123 31.394 32.500 0.027 0.000 0.738 359 K HN 0.174 nan 8.250 nan 0.000 0.443 360 c N 0.109 118.746 118.600 0.062 0.000 2.450 360 c HA -0.004 4.575 4.570 0.016 0.000 0.279 360 c C 2.614 176.766 174.090 0.104 0.000 1.335 360 c CA 0.156 56.540 56.329 0.091 0.000 1.749 360 c CB -1.067 41.555 42.510 0.187 0.000 1.963 360 c HN 0.715 nan 8.230 nan 0.000 0.501 361 c N 1.444 120.111 118.600 0.113 0.000 2.485 361 c HA 0.256 4.835 4.570 0.016 0.000 0.283 361 c C 1.884 176.014 174.090 0.066 0.000 1.478 361 c CA 0.865 57.259 56.329 0.109 0.000 1.741 361 c CB -2.205 40.382 42.510 0.130 0.000 1.675 361 c HN 0.683 nan 8.230 nan 0.000 0.573 362 A N -0.401 122.450 122.820 0.051 0.000 2.812 362 A HA 0.751 5.081 4.320 0.016 0.000 0.294 362 A C 0.177 177.773 177.584 0.019 0.000 1.014 362 A CA 0.340 52.395 52.037 0.030 0.000 1.024 362 A CB -0.146 18.871 19.000 0.028 0.000 1.162 362 A HN 0.446 nan 8.150 nan 0.000 0.511 363 A N -1.037 121.792 122.820 0.015 0.000 2.566 363 A HA 0.823 5.153 4.320 0.016 0.000 0.292 363 A C 1.099 178.677 177.584 -0.009 0.000 1.112 363 A CA 0.079 52.117 52.037 0.001 0.000 0.707 363 A CB 0.283 19.280 19.000 -0.005 0.000 1.302 363 A HN 1.402 nan 8.150 nan 0.000 0.409 364 A N 0.234 123.045 122.820 -0.016 0.000 1.862 364 A HA -0.102 4.227 4.320 0.016 0.000 0.217 364 A C 0.767 178.332 177.584 -0.031 0.000 1.251 364 A CA 2.475 54.499 52.037 -0.021 0.000 0.673 364 A CB -0.613 18.373 19.000 -0.024 0.000 0.843 364 A HN 0.776 nan 8.150 nan 0.000 0.458 365 D N -1.325 119.045 120.400 -0.050 0.000 2.473 365 D HA 0.458 5.108 4.640 0.016 0.000 0.226 365 D C -1.947 174.276 176.300 -0.127 0.000 1.089 365 D CA -2.039 51.914 54.000 -0.077 0.000 0.883 365 D CB 1.274 42.026 40.800 -0.081 0.000 1.029 365 D HN 0.023 nan 8.370 nan 0.000 0.517 366 P HA -0.042 nan 4.420 nan 0.000 0.217 366 P C 1.354 178.228 177.300 -0.710 0.000 1.154 366 P CA 1.221 64.196 63.100 -0.208 0.000 0.841 366 P CB -0.043 31.678 31.700 0.036 0.000 0.788 367 H N -1.003 117.732 119.070 -0.559 0.000 2.561 367 H HA 0.115 4.680 4.556 0.016 0.000 0.289 367 H C 1.575 176.542 175.328 -0.602 0.000 1.054 367 H CA 1.866 57.508 56.048 -0.676 0.000 1.210 367 H CB -1.292 28.349 29.762 -0.201 0.000 1.353 367 H HN 0.407 nan 8.280 nan 0.000 0.601 368 E N -1.908 117.988 120.200 -0.507 0.000 2.603 368 E HA 0.230 4.590 4.350 0.016 0.000 0.224 368 E C 1.846 178.288 176.600 -0.264 0.000 0.896 368 E CA 0.597 56.815 56.400 -0.304 0.000 1.224 368 E CB -0.947 28.647 29.700 -0.177 0.000 1.206 368 E HN 0.768 nan 8.360 nan 0.000 0.576 369 c N 0.336 118.741 118.600 -0.325 0.000 2.485 369 c HA 0.136 4.715 4.570 0.016 0.000 0.278 369 c C 2.133 176.180 174.090 -0.073 0.000 1.356 369 c CA 1.541 57.777 56.329 -0.155 0.000 1.747 369 c CB -0.975 41.482 42.510 -0.088 0.000 2.001 369 c HN 0.816 nan 8.230 nan 0.000 0.501 370 Y N -0.009 120.271 120.300 -0.034 0.000 2.507 370 Y HA 0.634 5.192 4.550 0.013 0.000 0.254 370 Y C 1.757 177.631 175.900 -0.044 0.000 1.171 370 Y CA -0.067 58.010 58.100 -0.038 0.000 1.238 370 Y CB -1.430 36.998 38.460 -0.052 0.000 1.148 370 Y HN 0.116 nan 8.280 nan 0.000 0.525 371 A N 1.407 124.220 122.820 -0.011 0.000 2.070 371 A HA 0.035 4.364 4.320 0.016 0.000 0.220 371 A C 1.937 179.517 177.584 -0.008 0.000 1.159 371 A CA 1.591 53.626 52.037 -0.003 0.000 0.656 371 A CB -0.796 18.145 19.000 -0.099 0.000 0.800 371 A HN 0.438 nan 8.150 nan 0.000 0.453 372 K N -0.242 120.161 120.400 0.005 0.000 2.814 372 K HA 0.635 4.965 4.320 0.016 0.000 0.213 372 K C 0.979 177.582 176.600 0.005 0.000 1.113 372 K CA 0.403 56.691 56.287 0.002 0.000 1.145 372 K CB -0.713 31.790 32.500 0.004 0.000 0.948 372 K HN 0.174 nan 8.250 nan 0.000 0.464 373 V N -0.204 119.707 119.914 -0.006 0.000 2.302 373 V HA -0.068 4.062 4.120 0.016 0.000 0.243 373 V C 1.891 177.831 176.094 -0.257 0.000 1.036 373 V CA 1.421 63.687 62.300 -0.056 0.000 1.020 373 V CB -0.579 31.270 31.823 0.043 0.000 0.657 373 V HN 0.681 nan 8.190 nan 0.000 0.453 374 F N 0.743 120.396 119.950 -0.495 0.000 2.287 374 F HA -0.188 4.346 4.527 0.012 0.000 0.301 374 F C 2.243 177.886 175.800 -0.261 0.000 1.069 374 F CA 1.247 58.911 58.000 -0.560 0.000 1.372 374 F CB -0.943 37.962 39.000 -0.158 0.000 1.056 374 F HN 0.305 nan 8.300 nan 0.000 0.523 375 D N -0.228 120.197 120.400 0.043 0.000 2.312 375 D HA -0.104 4.546 4.640 0.016 0.000 0.211 375 D C 1.757 178.095 176.300 0.064 0.000 0.964 375 D CA 0.748 54.786 54.000 0.063 0.000 0.877 375 D CB -0.154 40.676 40.800 0.051 0.000 0.924 375 D HN 0.424 nan 8.370 nan 0.000 0.515 376 E N -0.717 119.504 120.200 0.035 0.000 2.478 376 E HA 0.003 4.362 4.350 0.016 0.000 0.194 376 E C 1.198 177.979 176.600 0.301 0.000 1.045 376 E CA -0.008 56.467 56.400 0.125 0.000 0.868 376 E CB 0.164 29.936 29.700 0.121 0.000 0.885 376 E HN 0.158 nan 8.360 nan 0.000 0.505 377 F N 1.362 121.366 119.950 0.090 0.000 2.335 377 F HA 0.084 4.615 4.527 0.007 0.000 0.296 377 F C 2.025 177.825 175.800 0.000 0.000 1.091 377 F CA 0.454 58.471 58.000 0.028 0.000 1.399 377 F CB -0.489 38.524 39.000 0.022 0.000 1.067 377 F HN -0.099 nan 8.300 nan 0.000 0.520 378 K N 0.505 121.037 120.400 0.219 0.000 2.032 378 K HA -0.208 4.121 4.320 0.016 0.000 0.218 378 K C -0.446 176.191 176.600 0.063 0.000 1.054 378 K CA 2.267 58.624 56.287 0.118 0.000 0.941 378 K CB -1.409 31.149 32.500 0.097 0.000 0.720 378 K HN 0.170 nan 8.250 nan 0.000 0.449 379 P HA -0.137 nan 4.420 nan 0.000 0.221 379 P C 1.357 178.655 177.300 -0.003 0.000 1.150 379 P CA 1.005 64.123 63.100 0.028 0.000 0.800 379 P CB 0.065 31.788 31.700 0.038 0.000 0.787 380 L N -0.648 120.576 121.223 0.000 0.000 2.093 380 L HA -0.094 4.255 4.340 0.016 0.000 0.208 380 L C 2.635 179.418 176.870 -0.145 0.000 1.085 380 L CA 1.490 56.291 54.840 -0.064 0.000 0.755 380 L CB -1.196 40.820 42.059 -0.071 0.000 0.904 380 L HN -0.185 nan 8.230 nan 0.000 0.435 381 V N -1.122 118.698 119.914 -0.156 0.000 2.346 381 V HA -0.172 3.958 4.120 0.016 0.000 0.244 381 V C 2.264 178.241 176.094 -0.196 0.000 1.037 381 V CA 1.244 63.380 62.300 -0.274 0.000 1.029 381 V CB -0.481 31.193 31.823 -0.248 0.000 0.663 381 V HN 0.430 nan 8.190 nan 0.000 0.454 382 E N -0.058 120.084 120.200 -0.097 0.000 2.153 382 E HA -0.238 4.122 4.350 0.016 0.000 0.194 382 E C 2.203 178.767 176.600 -0.060 0.000 0.988 382 E CA 1.003 57.367 56.400 -0.060 0.000 0.811 382 E CB -0.097 29.591 29.700 -0.021 0.000 0.746 382 E HN 0.566 nan 8.360 nan 0.000 0.466 383 E N 0.941 121.102 120.200 -0.065 0.000 2.012 383 E HA -0.158 4.202 4.350 0.016 0.000 0.197 383 E C -0.622 175.943 176.600 -0.058 0.000 1.007 383 E CA 1.474 57.844 56.400 -0.050 0.000 0.816 383 E CB -0.874 28.798 29.700 -0.047 0.000 0.762 383 E HN 0.179 nan 8.360 nan 0.000 0.451 384 P HA -0.115 nan 4.420 nan 0.000 0.220 384 P C 1.315 178.567 177.300 -0.079 0.000 1.148 384 P CA 1.315 64.362 63.100 -0.088 0.000 0.803 384 P CB -0.132 31.488 31.700 -0.134 0.000 0.782 385 Q N -0.439 119.305 119.800 -0.093 0.000 2.049 385 Q HA -0.081 4.269 4.340 0.016 0.000 0.198 385 Q C 2.056 178.036 176.000 -0.033 0.000 0.971 385 Q CA 1.061 56.824 55.803 -0.066 0.000 0.833 385 Q CB -0.409 28.287 28.738 -0.070 0.000 0.896 385 Q HN 0.220 nan 8.270 nan 0.000 0.434 386 N N 0.516 119.200 118.700 -0.027 0.000 2.364 386 N HA -0.090 4.659 4.740 0.016 0.000 0.183 386 N C 1.601 177.112 175.510 0.001 0.000 1.022 386 N CA 0.807 53.852 53.050 -0.008 0.000 0.883 386 N CB -0.004 38.480 38.487 -0.005 0.000 0.965 386 N HN 0.229 nan 8.380 nan 0.000 0.438 387 L N 0.116 121.338 121.223 -0.002 0.000 2.131 387 L HA -0.020 4.329 4.340 0.016 0.000 0.206 387 L C 1.890 178.772 176.870 0.020 0.000 1.087 387 L CA 0.552 55.401 54.840 0.016 0.000 0.767 387 L CB -0.178 41.890 42.059 0.015 0.000 0.917 387 L HN 0.093 nan 8.230 nan 0.000 0.441 388 I N 0.808 121.378 120.570 -0.001 0.000 2.113 388 I HA -0.295 3.885 4.170 0.016 0.000 0.238 388 I C 3.138 179.252 176.117 -0.004 0.000 1.070 388 I CA 1.870 63.166 61.300 -0.007 0.000 1.332 388 I CB -1.450 36.535 38.000 -0.025 0.000 1.044 388 I HN 0.177 nan 8.210 nan 0.000 0.402 389 K N 0.838 121.237 120.400 -0.002 0.000 1.987 389 K HA -0.276 4.054 4.320 0.016 0.000 0.216 389 K C 2.081 178.688 176.600 0.013 0.000 1.051 389 K CA 2.236 58.525 56.287 0.002 0.000 0.942 389 K CB -1.496 31.008 32.500 0.006 0.000 0.722 389 K HN 0.463 nan 8.250 nan 0.000 0.444 390 Q N 0.056 119.870 119.800 0.023 0.000 2.118 390 Q HA -0.212 4.138 4.340 0.016 0.000 0.211 390 Q C 2.261 178.299 176.000 0.064 0.000 0.998 390 Q CA 2.250 58.077 55.803 0.040 0.000 0.872 390 Q CB -0.154 28.609 28.738 0.042 0.000 0.925 390 Q HN 0.737 nan 8.270 nan 0.000 0.414 391 N N -1.152 117.593 118.700 0.074 0.000 2.354 391 N HA -0.075 4.675 4.740 0.016 0.000 0.179 391 N C 1.505 177.015 175.510 -0.000 0.000 1.021 391 N CA 0.869 53.997 53.050 0.130 0.000 0.887 391 N CB 0.106 38.703 38.487 0.183 0.000 0.974 391 N HN 0.327 nan 8.380 nan 0.000 0.437 392 c N 1.036 119.613 118.600 -0.039 0.000 2.485 392 c HA 0.104 4.684 4.570 0.016 0.000 0.277 392 c C 2.387 176.467 174.090 -0.017 0.000 1.376 392 c CA 0.032 56.305 56.329 -0.093 0.000 1.759 392 c CB -0.396 42.062 42.510 -0.087 0.000 1.970 392 c HN 0.382 nan 8.230 nan 0.000 0.509 393 E N 0.998 121.201 120.200 0.005 0.000 2.047 393 E HA -0.147 4.213 4.350 0.016 0.000 0.191 393 E C 2.017 178.630 176.600 0.023 0.000 0.987 393 E CA 0.860 57.273 56.400 0.020 0.000 0.799 393 E CB -0.708 29.006 29.700 0.024 0.000 0.752 393 E HN 0.495 nan 8.360 nan 0.000 0.449 394 L N 0.558 121.802 121.223 0.036 0.000 1.994 394 L HA -0.144 4.206 4.340 0.016 0.000 0.208 394 L C 2.320 179.175 176.870 -0.024 0.000 1.071 394 L CA 1.503 56.383 54.840 0.067 0.000 0.745 394 L CB -0.791 41.388 42.059 0.200 0.000 0.892 394 L HN 0.088 nan 8.230 nan 0.000 0.431 395 F N 0.366 120.017 119.950 -0.498 0.000 2.287 395 F HA -0.217 4.320 4.527 0.016 0.000 0.301 395 F C 2.193 177.808 175.800 -0.308 0.000 1.069 395 F CA 1.826 59.339 58.000 -0.811 0.000 1.372 395 F CB -0.162 38.160 39.000 -1.129 0.000 1.056 395 F HN 0.294 nan 8.300 nan 0.000 0.523 396 E N -0.418 119.775 120.200 -0.011 0.000 2.170 396 E HA -0.158 4.201 4.350 0.016 0.000 0.191 396 E C 1.876 178.435 176.600 -0.069 0.000 0.981 396 E CA 0.950 57.342 56.400 -0.014 0.000 0.830 396 E CB -0.132 29.599 29.700 0.051 0.000 0.775 396 E HN 0.627 nan 8.360 nan 0.000 0.470 397 Q N -0.097 119.675 119.800 -0.046 0.000 2.444 397 Q HA 0.046 4.396 4.340 0.016 0.000 0.206 397 Q C 1.550 177.527 176.000 -0.039 0.000 0.948 397 Q CA 0.484 56.271 55.803 -0.027 0.000 0.946 397 Q CB 0.388 29.127 28.738 0.003 0.000 1.027 397 Q HN 0.252 nan 8.270 nan 0.000 0.513 398 L N -1.770 119.401 121.223 -0.088 0.000 2.678 398 L HA 0.415 4.765 4.340 0.016 0.000 0.211 398 L C 0.770 177.570 176.870 -0.117 0.000 1.043 398 L CA 0.195 54.998 54.840 -0.062 0.000 0.881 398 L CB 0.644 42.718 42.059 0.024 0.000 1.361 398 L HN 0.174 nan 8.230 nan 0.000 0.484 399 G N 0.651 109.266 108.800 -0.309 0.000 2.617 399 G HA2 -0.166 3.803 3.960 0.016 0.000 0.686 399 G HA3 -0.166 3.803 3.960 0.016 0.000 0.686 399 G C 0.047 174.756 174.900 -0.319 0.000 1.214 399 G CA 0.021 44.920 45.100 -0.335 0.000 0.796 399 G HN 0.189 nan 8.290 nan 0.000 0.654 400 E N -0.119 119.908 120.200 -0.288 0.000 2.035 400 E HA -0.292 4.068 4.350 0.016 0.000 0.204 400 E C 1.997 178.696 176.600 0.164 0.000 1.025 400 E CA 2.464 58.877 56.400 0.021 0.000 0.835 400 E CB -0.231 29.566 29.700 0.160 0.000 0.764 400 E HN 0.799 nan 8.360 nan 0.000 0.457 401 Y N 1.036 121.359 120.300 0.040 0.000 2.081 401 Y HA -0.285 4.275 4.550 0.017 0.000 0.280 401 Y C 2.652 178.576 175.900 0.040 0.000 1.163 401 Y CA 2.513 60.639 58.100 0.044 0.000 1.135 401 Y CB -0.576 37.903 38.460 0.030 0.000 0.970 401 Y HN -0.088 nan 8.280 nan 0.000 0.498 402 K N -0.137 120.254 120.400 -0.016 0.000 2.209 402 K HA -0.155 4.175 4.320 0.016 0.000 0.204 402 K C 1.950 178.507 176.600 -0.070 0.000 1.048 402 K CA 1.268 57.493 56.287 -0.103 0.000 0.940 402 K CB -1.176 31.346 32.500 0.037 0.000 0.729 402 K HN 0.569 nan 8.250 nan 0.000 0.451 403 F N 1.671 121.535 119.950 -0.143 0.000 2.128 403 F HA -0.025 4.511 4.527 0.015 0.000 0.295 403 F C 2.234 177.991 175.800 -0.072 0.000 1.100 403 F CA 1.711 59.663 58.000 -0.081 0.000 1.260 403 F CB -0.467 38.515 39.000 -0.030 0.000 1.009 403 F HN 0.203 nan 8.300 nan 0.000 0.476 404 Q N 0.034 119.720 119.800 -0.190 0.000 2.181 404 Q HA -0.230 4.120 4.340 0.016 0.000 0.205 404 Q C 1.745 177.555 176.000 -0.317 0.000 0.980 404 Q CA 1.600 57.244 55.803 -0.265 0.000 0.862 404 Q CB -0.391 28.279 28.738 -0.114 0.000 0.905 404 Q HN 0.414 nan 8.270 nan 0.000 0.429 405 N N 0.447 118.936 118.700 -0.350 0.000 2.216 405 N HA -0.084 4.665 4.740 0.016 0.000 0.183 405 N C 1.554 176.906 175.510 -0.263 0.000 1.017 405 N CA 1.235 54.096 53.050 -0.315 0.000 0.861 405 N CB -0.347 37.924 38.487 -0.360 0.000 0.986 405 N HN 0.258 nan 8.380 nan 0.000 0.428 406 A N 1.214 123.865 122.820 -0.281 0.000 1.902 406 A HA -0.068 4.262 4.320 0.016 0.000 0.217 406 A C 2.269 179.641 177.584 -0.353 0.000 1.181 406 A CA 0.969 52.850 52.037 -0.261 0.000 0.623 406 A CB -0.772 18.102 19.000 -0.209 0.000 0.818 406 A HN 0.218 nan 8.150 nan 0.000 0.443 407 L N -1.198 119.741 121.223 -0.473 0.000 2.046 407 L HA -0.190 4.160 4.340 0.016 0.000 0.208 407 L C 2.524 179.139 176.870 -0.424 0.000 1.077 407 L CA 0.826 55.339 54.840 -0.545 0.000 0.747 407 L CB -0.727 41.099 42.059 -0.388 0.000 0.896 407 L HN 0.301 nan 8.230 nan 0.000 0.432 408 L N -0.175 120.906 121.223 -0.237 0.000 1.990 408 L HA -0.222 4.128 4.340 0.016 0.000 0.213 408 L C 2.512 179.296 176.870 -0.143 0.000 1.072 408 L CA 1.733 56.496 54.840 -0.130 0.000 0.755 408 L CB -0.708 41.278 42.059 -0.122 0.000 0.889 408 L HN -0.012 nan 8.230 nan 0.000 0.432 409 V N -0.922 118.886 119.914 -0.175 0.000 2.407 409 V HA -0.292 3.838 4.120 0.016 0.000 0.248 409 V C 2.663 178.651 176.094 -0.176 0.000 1.055 409 V CA 1.889 64.101 62.300 -0.146 0.000 1.049 409 V CB -0.731 31.012 31.823 -0.133 0.000 0.662 409 V HN 0.434 nan 8.190 nan 0.000 0.455 410 R N -0.741 119.582 120.500 -0.296 0.000 2.070 410 R HA -0.175 4.175 4.340 0.016 0.000 0.232 410 R C 2.374 178.500 176.300 -0.289 0.000 1.138 410 R CA 2.083 57.959 56.100 -0.374 0.000 0.936 410 R CB -0.335 29.576 30.300 -0.648 0.000 0.839 410 R HN 0.531 nan 8.270 nan 0.000 0.429 411 Y N -0.325 119.927 120.300 -0.080 0.000 2.395 411 Y HA 0.003 4.561 4.550 0.014 0.000 0.293 411 Y C 2.416 178.269 175.900 -0.077 0.000 1.123 411 Y CA 0.996 59.054 58.100 -0.071 0.000 1.227 411 Y CB -0.694 37.717 38.460 -0.083 0.000 1.012 411 Y HN 0.074 nan 8.280 nan 0.000 0.552 412 T N 0.097 114.669 114.554 0.029 0.000 2.788 412 T HA -0.154 4.206 4.350 0.016 0.000 0.268 412 T C 1.840 176.488 174.700 -0.088 0.000 1.044 412 T CA 1.409 63.488 62.100 -0.035 0.000 1.139 412 T CB -0.115 68.721 68.868 -0.055 0.000 0.867 412 T HN 0.310 nan 8.240 nan 0.000 0.454 413 K N 0.736 121.091 120.400 -0.075 0.000 2.148 413 K HA -0.020 4.309 4.320 0.016 0.000 0.204 413 K C 2.366 178.932 176.600 -0.056 0.000 1.050 413 K CA 0.832 57.069 56.287 -0.083 0.000 0.942 413 K CB 0.040 32.502 32.500 -0.063 0.000 0.724 413 K HN 0.287 nan 8.250 nan 0.000 0.446 414 K N 0.551 120.949 120.400 -0.003 0.000 2.021 414 K HA -0.030 4.300 4.320 0.016 0.000 0.205 414 K C 1.244 177.853 176.600 0.015 0.000 1.047 414 K CA 1.181 57.489 56.287 0.035 0.000 0.943 414 K CB 0.178 32.746 32.500 0.114 0.000 0.725 414 K HN 0.058 nan 8.250 nan 0.000 0.439 415 V N -0.555 119.363 119.914 0.008 0.000 2.361 415 V HA 0.226 4.356 4.120 0.016 0.000 0.252 415 V C -2.539 173.515 176.094 -0.066 0.000 0.986 415 V CA -1.565 60.733 62.300 -0.005 0.000 1.033 415 V CB 1.011 32.853 31.823 0.033 0.000 1.282 415 V HN -0.105 nan 8.190 nan 0.000 0.514 416 P HA -0.098 nan 4.420 nan 0.000 0.223 416 P C 1.386 178.585 177.300 -0.169 0.000 1.144 416 P CA 1.190 64.049 63.100 -0.401 0.000 0.783 416 P CB 0.247 31.215 31.700 -1.219 0.000 0.771 417 Q N -0.913 118.880 119.800 -0.012 0.000 2.167 417 Q HA -0.031 4.319 4.340 0.016 0.000 0.202 417 Q C 0.707 176.756 176.000 0.083 0.000 0.970 417 Q CA 0.569 56.440 55.803 0.113 0.000 0.855 417 Q CB -1.036 27.784 28.738 0.137 0.000 0.911 417 Q HN 0.114 nan 8.270 nan 0.000 0.438 418 V N 1.427 121.375 119.914 0.056 0.000 2.763 418 V HA -0.031 4.099 4.120 0.016 0.000 0.306 418 V C 0.577 176.693 176.094 0.037 0.000 1.059 418 V CA -0.237 62.097 62.300 0.058 0.000 1.138 418 V CB 1.135 32.982 31.823 0.040 0.000 0.940 418 V HN 0.253 nan 8.190 nan 0.000 0.489 419 S N 3.332 119.055 115.700 0.037 0.000 2.549 419 S HA -0.010 4.470 4.470 0.016 0.000 0.286 419 S C 1.433 176.037 174.600 0.007 0.000 1.314 419 S CA 0.275 58.487 58.200 0.020 0.000 1.062 419 S CB 0.790 64.000 63.200 0.017 0.000 0.865 419 S HN 0.879 nan 8.310 nan 0.000 0.498 420 T N 6.163 120.716 114.554 -0.002 0.000 2.684 420 T HA -0.043 4.316 4.350 0.016 0.000 0.267 420 T C -0.924 173.769 174.700 -0.011 0.000 1.036 420 T CA 1.674 63.767 62.100 -0.012 0.000 1.148 420 T CB -1.142 67.711 68.868 -0.026 0.000 0.863 420 T HN 0.706 nan 8.240 nan 0.000 0.436 421 P HA 0.012 nan 4.420 nan 0.000 0.225 421 P C 1.132 178.430 177.300 -0.004 0.000 1.148 421 P CA 1.063 64.158 63.100 -0.008 0.000 0.779 421 P CB -0.202 31.492 31.700 -0.009 0.000 0.780 422 T N -0.129 114.424 114.554 -0.003 0.000 2.939 422 T HA 0.092 4.451 4.350 0.016 0.000 0.254 422 T C 1.893 176.584 174.700 -0.014 0.000 1.041 422 T CA 0.515 62.612 62.100 -0.004 0.000 1.142 422 T CB -0.634 68.238 68.868 0.006 0.000 0.874 422 T HN 0.022 nan 8.240 nan 0.000 0.452 423 L N 1.018 122.235 121.223 -0.010 0.000 2.042 423 L HA -0.103 4.247 4.340 0.016 0.000 0.210 423 L C 2.582 179.449 176.870 -0.005 0.000 1.076 423 L CA 0.953 55.788 54.840 -0.008 0.000 0.749 423 L CB -0.589 41.471 42.059 0.002 0.000 0.893 423 L HN 0.149 nan 8.230 nan 0.000 0.432 424 V N -0.307 119.603 119.914 -0.006 0.000 2.270 424 V HA -0.291 3.839 4.120 0.016 0.000 0.245 424 V C 2.448 178.541 176.094 -0.002 0.000 1.043 424 V CA 2.024 64.322 62.300 -0.003 0.000 1.014 424 V CB -0.437 31.387 31.823 0.002 0.000 0.645 424 V HN 0.443 nan 8.190 nan 0.000 0.447 425 E N 0.132 120.329 120.200 -0.004 0.000 2.085 425 E HA -0.202 4.158 4.350 0.016 0.000 0.194 425 E C 2.117 178.706 176.600 -0.018 0.000 0.994 425 E CA 1.725 58.122 56.400 -0.005 0.000 0.801 425 E CB -0.324 29.372 29.700 -0.006 0.000 0.743 425 E HN 0.291 nan 8.360 nan 0.000 0.453 426 V N 0.068 119.961 119.914 -0.035 0.000 2.261 426 V HA -0.273 3.857 4.120 0.016 0.000 0.246 426 V C 2.240 178.306 176.094 -0.046 0.000 1.047 426 V CA 2.179 64.438 62.300 -0.068 0.000 1.015 426 V CB -0.492 31.259 31.823 -0.121 0.000 0.642 426 V HN 0.331 nan 8.190 nan 0.000 0.446 427 S N -0.706 114.988 115.700 -0.010 0.000 2.442 427 S HA -0.150 4.330 4.470 0.016 0.000 0.236 427 S C 1.943 176.542 174.600 -0.002 0.000 1.007 427 S CA 1.080 59.291 58.200 0.019 0.000 0.965 427 S CB -0.287 62.925 63.200 0.020 0.000 0.773 427 S HN 0.522 nan 8.310 nan 0.000 0.504 428 R N 1.496 121.998 120.500 0.003 0.000 2.073 428 R HA 0.090 4.440 4.340 0.016 0.000 0.229 428 R C 1.745 178.062 176.300 0.028 0.000 1.120 428 R CA 1.055 57.169 56.100 0.023 0.000 0.967 428 R CB -0.379 29.938 30.300 0.028 0.000 0.862 428 R HN 0.368 nan 8.270 nan 0.000 0.436 429 N N 0.909 119.611 118.700 0.004 0.000 2.244 429 N HA -0.119 4.631 4.740 0.016 0.000 0.183 429 N C 1.761 177.269 175.510 -0.002 0.000 1.016 429 N CA 0.927 53.970 53.050 -0.012 0.000 0.866 429 N CB -0.129 38.340 38.487 -0.030 0.000 0.980 429 N HN 0.046 nan 8.380 nan 0.000 0.430 430 L N 0.940 122.169 121.223 0.011 0.000 2.017 430 L HA -0.007 4.343 4.340 0.016 0.000 0.208 430 L C 2.425 179.372 176.870 0.128 0.000 1.073 430 L CA 1.491 56.358 54.840 0.046 0.000 0.745 430 L CB -1.318 40.771 42.059 0.050 0.000 0.894 430 L HN 0.160 nan 8.230 nan 0.000 0.432 431 G N -1.056 107.830 108.800 0.143 0.000 2.440 431 G HA2 -0.262 3.708 3.960 0.016 0.000 0.218 431 G HA3 -0.262 3.708 3.960 0.016 0.000 0.218 431 G C 1.747 176.821 174.900 0.289 0.000 1.154 431 G CA 0.630 45.924 45.100 0.322 0.000 0.767 431 G HN 0.315 nan 8.290 nan 0.000 0.552 432 K N -0.026 120.457 120.400 0.138 0.000 2.063 432 K HA -0.051 4.279 4.320 0.016 0.000 0.208 432 K C 2.607 179.196 176.600 -0.018 0.000 1.048 432 K CA 1.227 57.549 56.287 0.059 0.000 0.928 432 K CB -0.378 32.111 32.500 -0.018 0.000 0.713 432 K HN 0.256 nan 8.250 nan 0.000 0.442 433 V N 0.847 120.740 119.914 -0.035 0.000 2.407 433 V HA -0.189 3.941 4.120 0.016 0.000 0.248 433 V C 2.427 178.503 176.094 -0.029 0.000 1.055 433 V CA 2.142 64.414 62.300 -0.046 0.000 1.049 433 V CB -1.052 30.790 31.823 0.032 0.000 0.662 433 V HN 0.480 nan 8.190 nan 0.000 0.455 434 G N 0.407 109.208 108.800 0.002 0.000 2.442 434 G HA2 -0.267 3.703 3.960 0.016 0.000 0.219 434 G HA3 -0.267 3.703 3.960 0.016 0.000 0.219 434 G C 1.802 176.265 174.900 -0.728 0.000 1.141 434 G CA 1.457 46.425 45.100 -0.220 0.000 0.763 434 G HN 0.655 nan 8.290 nan 0.000 0.554 435 S N 0.192 115.618 115.700 -0.455 0.000 2.406 435 S HA 0.097 4.577 4.470 0.016 0.000 0.224 435 S C 2.000 176.524 174.600 -0.127 0.000 1.030 435 S CA 1.176 59.145 58.200 -0.384 0.000 0.958 435 S CB -0.072 63.258 63.200 0.216 0.000 0.811 435 S HN 0.273 nan 8.310 nan 0.000 0.489 436 K N 0.594 120.969 120.400 -0.041 0.000 2.280 436 K HA 0.097 4.427 4.320 0.016 0.000 0.202 436 K C 1.562 178.265 176.600 0.172 0.000 1.047 436 K CA 1.381 57.715 56.287 0.079 0.000 0.942 436 K CB -0.361 32.160 32.500 0.036 0.000 0.739 436 K HN 0.555 nan 8.250 nan 0.000 0.457 437 c N -2.095 116.525 118.600 0.034 0.000 2.406 437 c HA 0.146 4.726 4.570 0.016 0.000 0.343 437 c C 2.232 176.322 174.090 -0.001 0.000 1.397 437 c CA -0.440 55.861 56.329 -0.046 0.000 2.069 437 c CB -0.483 41.961 42.510 -0.111 0.000 2.374 437 c HN 0.515 nan 8.230 nan 0.000 0.545 438 c N 2.060 120.569 118.600 -0.152 0.000 2.402 438 c HA -0.046 4.534 4.570 0.016 0.000 0.301 438 c C 2.802 176.869 174.090 -0.039 0.000 1.455 438 c CA 1.809 58.040 56.329 -0.162 0.000 1.787 438 c CB -1.937 40.336 42.510 -0.395 0.000 1.726 438 c HN 0.759 nan 8.230 nan 0.000 0.565 439 K N -0.283 120.150 120.400 0.054 0.000 2.459 439 K HA 0.028 4.358 4.320 0.016 0.000 0.193 439 K C 0.631 177.259 176.600 0.047 0.000 1.030 439 K CA 0.515 56.837 56.287 0.058 0.000 1.026 439 K CB -0.551 31.973 32.500 0.040 0.000 0.809 439 K HN 0.784 nan 8.250 nan 0.000 0.504 440 H N 0.072 119.124 119.070 -0.030 0.000 2.508 440 H HA 0.297 4.863 4.556 0.017 0.000 0.344 440 H C -2.383 172.933 175.328 -0.020 0.000 1.192 440 H CA -2.280 53.756 56.048 -0.019 0.000 1.290 440 H CB 1.683 31.434 29.762 -0.019 0.000 1.571 440 H HN 0.116 nan 8.280 nan 0.000 0.555 441 P HA 0.034 nan 4.420 nan 0.000 0.276 441 P C 0.713 178.045 177.300 0.053 0.000 1.244 441 P CA -0.308 62.824 63.100 0.054 0.000 0.801 441 P CB 1.073 32.792 31.700 0.032 0.000 1.006 442 E N 1.923 122.142 120.200 0.032 0.000 2.172 442 E HA -0.349 4.011 4.350 0.016 0.000 0.213 442 E C 1.877 178.494 176.600 0.027 0.000 1.051 442 E CA 2.656 59.070 56.400 0.024 0.000 0.860 442 E CB -0.878 28.836 29.700 0.023 0.000 0.755 442 E HN 0.475 nan 8.360 nan 0.000 0.462 443 A N -0.140 122.698 122.820 0.030 0.000 1.881 443 A HA -0.307 4.023 4.320 0.016 0.000 0.219 443 A C 2.115 179.711 177.584 0.020 0.000 1.215 443 A CA 2.679 54.732 52.037 0.026 0.000 0.648 443 A CB -0.623 18.388 19.000 0.018 0.000 0.832 443 A HN 0.226 nan 8.150 nan 0.000 0.455 444 K N -0.870 119.547 120.400 0.027 0.000 2.397 444 K HA 0.302 4.631 4.320 0.016 0.000 0.202 444 K C 1.579 178.123 176.600 -0.092 0.000 1.022 444 K CA 0.366 56.648 56.287 -0.008 0.000 1.141 444 K CB 0.062 32.597 32.500 0.060 0.000 0.857 444 K HN 0.613 nan 8.250 nan 0.000 0.514 445 R N 0.661 121.124 120.500 -0.061 0.000 2.070 445 R HA 0.109 4.458 4.340 0.016 0.000 0.227 445 R C 2.469 178.704 176.300 -0.108 0.000 1.147 445 R CA 2.051 58.091 56.100 -0.101 0.000 0.924 445 R CB -0.369 29.901 30.300 -0.048 0.000 0.827 445 R HN 0.235 nan 8.270 nan 0.000 0.431 446 M N 0.572 120.131 119.600 -0.068 0.000 2.089 446 M HA -0.143 4.347 4.480 0.016 0.000 0.257 446 M C -0.980 175.268 176.300 -0.086 0.000 1.071 446 M CA 2.044 57.301 55.300 -0.071 0.000 1.096 446 M CB -0.724 31.839 32.600 -0.062 0.000 1.330 446 M HN 0.003 nan 8.290 nan 0.000 0.403 447 P HA -0.118 nan 4.420 nan 0.000 0.217 447 P C 1.654 178.856 177.300 -0.164 0.000 1.150 447 P CA 1.150 64.185 63.100 -0.107 0.000 0.832 447 P CB -0.392 31.249 31.700 -0.098 0.000 0.787 448 c N 0.004 118.477 118.600 -0.212 0.000 2.436 448 c HA -0.033 4.547 4.570 0.016 0.000 0.277 448 c C 2.877 176.830 174.090 -0.229 0.000 1.241 448 c CA 1.596 57.743 56.329 -0.304 0.000 1.721 448 c CB -1.641 40.630 42.510 -0.398 0.000 2.043 448 c HN 0.233 nan 8.230 nan 0.000 0.472 449 A N 0.244 122.995 122.820 -0.116 0.000 1.948 449 A HA -0.270 4.060 4.320 0.016 0.000 0.220 449 A C 2.170 179.739 177.584 -0.025 0.000 1.177 449 A CA 2.196 54.218 52.037 -0.026 0.000 0.636 449 A CB -0.984 18.000 19.000 -0.026 0.000 0.815 449 A HN 0.874 nan 8.150 nan 0.000 0.449 450 E N -0.517 119.644 120.200 -0.065 0.000 2.072 450 E HA -0.260 4.100 4.350 0.016 0.000 0.191 450 E C 1.668 178.237 176.600 -0.053 0.000 0.985 450 E CA 1.313 57.684 56.400 -0.047 0.000 0.801 450 E CB -0.277 29.393 29.700 -0.050 0.000 0.750 450 E HN 0.494 nan 8.360 nan 0.000 0.452 451 D N -0.601 119.719 120.400 -0.134 0.000 2.144 451 D HA -0.177 4.473 4.640 0.016 0.000 0.199 451 D C 1.497 177.729 176.300 -0.113 0.000 0.984 451 D CA 1.072 54.966 54.000 -0.177 0.000 0.834 451 D CB -0.071 40.520 40.800 -0.347 0.000 0.955 451 D HN 0.291 nan 8.370 nan 0.000 0.465 452 Y N -0.135 120.158 120.300 -0.012 0.000 2.230 452 Y HA 0.062 4.622 4.550 0.016 0.000 0.294 452 Y C 2.196 178.085 175.900 -0.017 0.000 1.120 452 Y CA 0.039 58.134 58.100 -0.008 0.000 1.129 452 Y CB -0.902 37.550 38.460 -0.013 0.000 1.040 452 Y HN -0.067 nan 8.280 nan 0.000 0.519 453 L N 0.310 121.615 121.223 0.137 0.000 2.081 453 L HA -0.256 4.094 4.340 0.016 0.000 0.212 453 L C 2.603 179.487 176.870 0.023 0.000 1.080 453 L CA 2.116 56.985 54.840 0.048 0.000 0.754 453 L CB -1.320 40.752 42.059 0.021 0.000 0.893 453 L HN 0.348 nan 8.230 nan 0.000 0.433 454 S N -1.156 114.562 115.700 0.031 0.000 2.359 454 S HA -0.200 4.280 4.470 0.016 0.000 0.224 454 S C 1.960 176.574 174.600 0.023 0.000 1.035 454 S CA 1.727 59.937 58.200 0.018 0.000 1.018 454 S CB -1.322 61.883 63.200 0.009 0.000 0.876 454 S HN 0.304 nan 8.310 nan 0.000 0.448 455 V N 0.711 120.653 119.914 0.047 0.000 2.453 455 V HA -0.023 4.107 4.120 0.016 0.000 0.247 455 V C 2.494 178.602 176.094 0.022 0.000 1.048 455 V CA 1.239 63.567 62.300 0.047 0.000 1.049 455 V CB -1.377 30.496 31.823 0.083 0.000 0.672 455 V HN 0.422 nan 8.190 nan 0.000 0.457 456 V N -0.064 119.855 119.914 0.009 0.000 2.307 456 V HA -0.177 3.953 4.120 0.016 0.000 0.245 456 V C 2.532 178.575 176.094 -0.086 0.000 1.045 456 V CA 1.805 64.082 62.300 -0.038 0.000 1.024 456 V CB -0.688 31.102 31.823 -0.054 0.000 0.651 456 V HN 0.417 nan 8.190 nan 0.000 0.449 457 L N 0.388 121.551 121.223 -0.099 0.000 2.191 457 L HA -0.123 4.226 4.340 0.016 0.000 0.212 457 L C 2.056 178.899 176.870 -0.045 0.000 1.103 457 L CA 1.899 56.652 54.840 -0.146 0.000 0.769 457 L CB -1.295 40.707 42.059 -0.095 0.000 0.908 457 L HN 0.452 nan 8.230 nan 0.000 0.438 458 N N -1.440 117.258 118.700 -0.005 0.000 2.336 458 N HA -0.158 4.591 4.740 0.016 0.000 0.177 458 N C 1.862 177.384 175.510 0.021 0.000 1.018 458 N CA 0.444 53.510 53.050 0.027 0.000 0.878 458 N CB -0.018 38.489 38.487 0.033 0.000 0.997 458 N HN 0.355 nan 8.380 nan 0.000 0.433 459 Q N 0.443 120.248 119.800 0.007 0.000 2.170 459 Q HA -0.169 4.181 4.340 0.016 0.000 0.203 459 Q C 1.915 177.917 176.000 0.002 0.000 0.976 459 Q CA 1.185 56.995 55.803 0.011 0.000 0.858 459 Q CB -0.167 28.576 28.738 0.007 0.000 0.907 459 Q HN 0.498 nan 8.270 nan 0.000 0.433 460 L N 0.185 121.390 121.223 -0.030 0.000 2.156 460 L HA -0.035 4.315 4.340 0.016 0.000 0.208 460 L C 2.142 179.017 176.870 0.010 0.000 1.095 460 L CA 1.487 56.298 54.840 -0.048 0.000 0.770 460 L CB -0.690 41.274 42.059 -0.158 0.000 0.914 460 L HN 0.255 nan 8.230 nan 0.000 0.439 461 c N -1.340 117.281 118.600 0.035 0.000 2.450 461 c HA -0.009 4.571 4.570 0.016 0.000 0.279 461 c C 2.677 176.832 174.090 0.108 0.000 1.335 461 c CA 0.717 57.104 56.329 0.096 0.000 1.749 461 c CB -0.586 41.991 42.510 0.111 0.000 1.963 461 c HN 0.495 nan 8.230 nan 0.000 0.501 462 V N 1.177 121.135 119.914 0.072 0.000 2.515 462 V HA -0.195 3.935 4.120 0.016 0.000 0.250 462 V C 2.320 178.453 176.094 0.065 0.000 1.058 462 V CA 1.557 63.894 62.300 0.062 0.000 1.064 462 V CB -0.665 31.185 31.823 0.045 0.000 0.675 462 V HN 0.534 nan 8.190 nan 0.000 0.461 463 L N -0.674 120.591 121.223 0.070 0.000 1.961 463 L HA -0.216 4.134 4.340 0.016 0.000 0.210 463 L C 2.629 179.553 176.870 0.089 0.000 1.072 463 L CA 2.283 57.161 54.840 0.064 0.000 0.749 463 L CB -1.183 40.911 42.059 0.059 0.000 0.889 463 L HN 0.404 nan 8.230 nan 0.000 0.432 464 H N 0.366 119.448 119.070 0.020 0.000 2.394 464 H HA -0.254 4.313 4.556 0.017 0.000 0.297 464 H C 2.199 177.542 175.328 0.024 0.000 1.113 464 H CA 2.226 58.290 56.048 0.027 0.000 1.277 464 H CB 0.342 30.131 29.762 0.045 0.000 1.370 464 H HN 0.491 nan 8.280 nan 0.000 0.506 465 E N 1.503 121.767 120.200 0.106 0.000 2.049 465 E HA -0.236 4.123 4.350 0.016 0.000 0.198 465 E C 2.197 178.792 176.600 -0.008 0.000 1.007 465 E CA 1.843 58.270 56.400 0.046 0.000 0.809 465 E CB -0.481 29.250 29.700 0.050 0.000 0.749 465 E HN 0.557 nan 8.360 nan 0.000 0.450 466 K N -0.111 120.286 120.400 -0.004 0.000 2.097 466 K HA -0.013 4.317 4.320 0.016 0.000 0.205 466 K C 0.932 177.506 176.600 -0.044 0.000 1.050 466 K CA 1.531 57.808 56.287 -0.017 0.000 0.938 466 K CB 0.266 32.764 32.500 -0.004 0.000 0.718 466 K HN 0.503 nan 8.250 nan 0.000 0.442 467 T N 0.141 114.652 114.554 -0.072 0.000 3.317 467 T HA 0.288 4.647 4.350 0.016 0.000 0.361 467 T C -2.802 171.756 174.700 -0.237 0.000 1.499 467 T CA -2.043 59.994 62.100 -0.105 0.000 1.529 467 T CB 0.925 69.758 68.868 -0.059 0.000 0.997 467 T HN -0.168 nan 8.240 nan 0.000 0.624 468 P HA 0.117 nan 4.420 nan 0.000 0.269 468 P C 0.243 177.280 177.300 -0.439 0.000 1.205 468 P CA -0.152 62.577 63.100 -0.618 0.000 0.780 468 P CB 1.138 32.670 31.700 -0.279 0.000 0.858 469 V N -0.771 118.901 119.914 -0.404 0.000 3.154 469 V HA 0.087 4.217 4.120 0.016 0.000 0.221 469 V C 0.625 176.824 176.094 0.175 0.000 1.504 469 V CA 0.632 62.943 62.300 0.018 0.000 1.243 469 V CB 0.611 32.507 31.823 0.120 0.000 1.115 469 V HN 0.592 nan 8.190 nan 0.000 0.481 470 S N 0.879 116.813 115.700 0.389 0.000 2.532 470 S HA 0.329 4.809 4.470 0.016 0.000 0.299 470 S C 0.538 175.260 174.600 0.203 0.000 1.105 470 S CA -0.180 58.157 58.200 0.228 0.000 1.018 470 S CB 1.585 64.881 63.200 0.160 0.000 1.021 470 S HN 0.593 nan 8.310 nan 0.000 0.483 471 D N 4.931 125.400 120.400 0.115 0.000 2.123 471 D HA -0.193 4.456 4.640 0.016 0.000 0.196 471 D C 1.520 177.842 176.300 0.038 0.000 0.992 471 D CA 1.194 55.241 54.000 0.078 0.000 0.833 471 D CB -0.154 40.674 40.800 0.047 0.000 0.954 471 D HN 0.501 nan 8.370 nan 0.000 0.455 472 R N 0.374 120.885 120.500 0.018 0.000 2.083 472 R HA -0.031 4.319 4.340 0.016 0.000 0.237 472 R C 2.585 178.821 176.300 -0.107 0.000 1.137 472 R CA 1.188 57.266 56.100 -0.037 0.000 0.951 472 R CB -0.582 29.708 30.300 -0.016 0.000 0.851 472 R HN 0.111 nan 8.270 nan 0.000 0.434 473 V N 0.411 120.265 119.914 -0.100 0.000 2.759 473 V HA -0.185 3.944 4.120 0.016 0.000 0.256 473 V C 1.787 177.751 176.094 -0.218 0.000 1.080 473 V CA 1.927 64.114 62.300 -0.189 0.000 1.101 473 V CB -0.382 31.244 31.823 -0.328 0.000 0.698 473 V HN 0.432 nan 8.190 nan 0.000 0.477 474 T N -0.771 113.734 114.554 -0.082 0.000 2.978 474 T HA -0.093 4.266 4.350 0.016 0.000 0.262 474 T C 2.003 176.678 174.700 -0.041 0.000 1.063 474 T CA 1.046 63.160 62.100 0.022 0.000 1.140 474 T CB -0.071 68.875 68.868 0.131 0.000 0.886 474 T HN 0.268 nan 8.240 nan 0.000 0.470 475 K N 1.397 121.748 120.400 -0.082 0.000 2.032 475 K HA -0.041 4.289 4.320 0.016 0.000 0.209 475 K C 2.154 178.660 176.600 -0.156 0.000 1.048 475 K CA 1.456 57.685 56.287 -0.096 0.000 0.927 475 K CB -1.002 31.439 32.500 -0.098 0.000 0.712 475 K HN 0.388 nan 8.250 nan 0.000 0.441 476 c N -0.736 117.680 118.600 -0.307 0.000 2.467 476 c HA 0.053 4.633 4.570 0.016 0.000 0.279 476 c C 2.814 176.739 174.090 -0.276 0.000 1.347 476 c CA 0.223 56.282 56.329 -0.451 0.000 1.748 476 c CB -1.036 40.809 42.510 -1.109 0.000 1.977 476 c HN 0.575 nan 8.230 nan 0.000 0.501 477 c N 1.732 120.232 118.600 -0.168 0.000 2.450 477 c HA -0.067 4.513 4.570 0.016 0.000 0.279 477 c C 2.939 177.054 174.090 0.042 0.000 1.335 477 c CA 2.010 58.354 56.329 0.025 0.000 1.749 477 c CB -1.443 41.115 42.510 0.079 0.000 1.963 477 c HN 0.823 nan 8.230 nan 0.000 0.501 478 T N -1.586 112.975 114.554 0.011 0.000 3.035 478 T HA -0.006 4.354 4.350 0.016 0.000 0.259 478 T C 0.646 175.374 174.700 0.047 0.000 1.078 478 T CA 0.331 62.447 62.100 0.027 0.000 1.132 478 T CB -0.063 68.812 68.868 0.010 0.000 0.900 478 T HN 0.566 nan 8.240 nan 0.000 0.480 479 E N 2.618 122.829 120.200 0.018 0.000 2.521 479 E HA 0.118 4.478 4.350 0.016 0.000 0.265 479 E C 0.201 176.871 176.600 0.117 0.000 1.291 479 E CA 0.289 56.709 56.400 0.034 0.000 1.092 479 E CB 0.334 30.016 29.700 -0.030 0.000 0.992 479 E HN 0.548 nan 8.360 nan 0.000 0.492 480 S N -0.193 115.570 115.700 0.104 0.000 2.549 480 S HA 0.129 4.609 4.470 0.016 0.000 0.283 480 S C 1.446 176.032 174.600 -0.023 0.000 1.320 480 S CA -0.124 58.145 58.200 0.115 0.000 1.058 480 S CB 0.872 64.098 63.200 0.043 0.000 0.882 480 S HN 0.822 nan 8.310 nan 0.000 0.498 481 L N 2.787 123.879 121.223 -0.219 0.000 2.661 481 L HA 0.091 4.441 4.340 0.016 0.000 0.236 481 L C 2.118 178.884 176.870 -0.173 0.000 1.176 481 L CA 1.583 56.279 54.840 -0.240 0.000 0.836 481 L CB -1.727 40.018 42.059 -0.522 0.000 0.960 481 L HN 0.843 nan 8.230 nan 0.000 0.455 482 V N -1.069 118.756 119.914 -0.149 0.000 3.431 482 V HA 0.018 4.148 4.120 0.016 0.000 0.253 482 V C 1.597 177.653 176.094 -0.064 0.000 1.184 482 V CA 0.991 63.230 62.300 -0.102 0.000 1.104 482 V CB 0.002 31.765 31.823 -0.100 0.000 0.799 482 V HN 0.846 nan 8.190 nan 0.000 0.462 483 N N -0.307 118.364 118.700 -0.049 0.000 2.203 483 N HA 0.139 4.888 4.740 0.016 0.000 0.207 483 N C 1.534 177.021 175.510 -0.037 0.000 1.130 483 N CA -0.051 52.976 53.050 -0.039 0.000 0.861 483 N CB 0.419 38.885 38.487 -0.035 0.000 1.005 483 N HN 0.356 nan 8.380 nan 0.000 0.507 484 R N 1.101 121.594 120.500 -0.012 0.000 2.070 484 R HA 0.029 4.379 4.340 0.016 0.000 0.232 484 R C 2.194 178.561 176.300 0.111 0.000 1.138 484 R CA 1.263 57.383 56.100 0.033 0.000 0.936 484 R CB 0.115 30.463 30.300 0.080 0.000 0.839 484 R HN -0.015 nan 8.270 nan 0.000 0.429 485 R N 0.035 120.602 120.500 0.112 0.000 2.062 485 R HA -0.045 4.305 4.340 0.016 0.000 0.231 485 R C -0.854 175.508 176.300 0.103 0.000 1.136 485 R CA 1.493 57.680 56.100 0.144 0.000 0.948 485 R CB -1.314 29.023 30.300 0.063 0.000 0.845 485 R HN 0.235 nan 8.270 nan 0.000 0.430 486 P HA -0.131 nan 4.420 nan 0.000 0.216 486 P C 1.625 178.923 177.300 -0.002 0.000 1.150 486 P CA 0.975 64.081 63.100 0.010 0.000 0.843 486 P CB -0.272 31.417 31.700 -0.018 0.000 0.787 487 c N -2.104 116.466 118.600 -0.051 0.000 2.429 487 c HA -0.114 4.465 4.570 0.016 0.000 0.277 487 c C 2.381 176.377 174.090 -0.157 0.000 1.262 487 c CA 0.602 56.845 56.329 -0.143 0.000 1.733 487 c CB -2.155 40.196 42.510 -0.264 0.000 2.010 487 c HN 0.060 nan 8.230 nan 0.000 0.483 488 F N 1.716 121.646 119.950 -0.033 0.000 2.206 488 F HA -0.036 4.502 4.527 0.018 0.000 0.298 488 F C 2.686 178.480 175.800 -0.010 0.000 1.090 488 F CA 1.815 59.788 58.000 -0.044 0.000 1.323 488 F CB -0.564 38.388 39.000 -0.079 0.000 1.028 488 F HN 0.172 nan 8.300 nan 0.000 0.492 489 S N -0.320 115.488 115.700 0.181 0.000 2.453 489 S HA -0.018 4.461 4.470 0.016 0.000 0.231 489 S C 2.191 176.843 174.600 0.087 0.000 1.005 489 S CA 0.706 58.984 58.200 0.131 0.000 0.949 489 S CB -0.456 62.799 63.200 0.091 0.000 0.774 489 S HN 0.320 nan 8.310 nan 0.000 0.510 490 A N 1.232 124.084 122.820 0.053 0.000 2.072 490 A HA 0.310 4.640 4.320 0.016 0.000 0.216 490 A C 0.901 178.502 177.584 0.028 0.000 1.156 490 A CA 0.047 52.099 52.037 0.025 0.000 0.701 490 A CB -0.456 18.541 19.000 -0.005 0.000 0.816 490 A HN 0.413 nan 8.150 nan 0.000 0.458 491 L N 0.599 121.848 121.223 0.042 0.000 2.554 491 L HA -0.019 4.330 4.340 0.016 0.000 0.293 491 L C 0.410 177.312 176.870 0.053 0.000 1.252 491 L CA 0.529 55.397 54.840 0.047 0.000 0.862 491 L CB 0.127 42.240 42.059 0.089 0.000 1.113 491 L HN 0.430 nan 8.230 nan 0.000 0.510 492 E N 0.355 120.579 120.200 0.040 0.000 2.359 492 E HA 0.355 4.714 4.350 0.016 0.000 0.266 492 E C -1.106 175.513 176.600 0.032 0.000 0.920 492 E CA -1.001 55.419 56.400 0.034 0.000 0.788 492 E CB 2.234 31.948 29.700 0.024 0.000 1.279 492 E HN 0.202 nan 8.360 nan 0.000 0.438 493 V N 2.455 122.383 119.914 0.023 0.000 2.584 493 V HA -0.112 4.017 4.120 0.016 0.000 0.303 493 V C 0.190 176.300 176.094 0.026 0.000 1.035 493 V CA 0.637 62.947 62.300 0.016 0.000 1.172 493 V CB 0.123 31.951 31.823 0.008 0.000 0.896 493 V HN 0.629 nan 8.190 nan 0.000 0.486 494 D N 4.788 125.204 120.400 0.027 0.000 2.401 494 D HA 0.039 4.689 4.640 0.016 0.000 0.254 494 D C 0.906 177.251 176.300 0.075 0.000 1.192 494 D CA 0.032 54.064 54.000 0.054 0.000 0.885 494 D CB 1.047 41.885 40.800 0.064 0.000 1.147 494 D HN 0.596 nan 8.370 nan 0.000 0.478 495 E N 2.092 122.334 120.200 0.070 0.000 2.476 495 E HA 0.006 4.365 4.350 0.016 0.000 0.199 495 E C 1.241 177.889 176.600 0.079 0.000 1.021 495 E CA 0.177 56.618 56.400 0.068 0.000 0.907 495 E CB 0.484 30.210 29.700 0.044 0.000 0.974 495 E HN 0.437 nan 8.360 nan 0.000 0.489 496 T N 0.597 115.207 114.554 0.094 0.000 2.814 496 T HA -0.090 4.270 4.350 0.016 0.000 0.254 496 T C 0.594 175.360 174.700 0.109 0.000 1.037 496 T CA 0.152 62.303 62.100 0.085 0.000 1.143 496 T CB -0.355 68.560 68.868 0.078 0.000 0.866 496 T HN 0.184 nan 8.240 nan 0.000 0.431 497 Y N 3.261 123.576 120.300 0.026 0.000 3.059 497 Y HA 0.024 4.583 4.550 0.016 0.000 0.343 497 Y C -0.452 175.466 175.900 0.029 0.000 1.273 497 Y CA -0.475 57.643 58.100 0.030 0.000 1.572 497 Y CB 0.225 38.706 38.460 0.033 0.000 1.228 497 Y HN -0.065 nan 8.280 nan 0.000 0.610 498 V N 8.021 127.530 119.914 -0.675 0.000 2.334 498 V HA 0.340 4.470 4.120 0.016 0.000 0.281 498 V C -2.037 173.615 176.094 -0.737 0.000 1.016 498 V CA -2.259 59.753 62.300 -0.480 0.000 0.832 498 V CB 0.789 32.449 31.823 -0.271 0.000 0.999 498 V HN 0.710 nan 8.190 nan 0.000 0.439 499 P HA 0.010 nan 4.420 nan 0.000 0.269 499 P C -0.164 177.155 177.300 0.031 0.000 1.200 499 P CA 0.302 63.417 63.100 0.026 0.000 0.779 499 P CB 0.504 32.275 31.700 0.118 0.000 0.841 500 K N 0.864 121.390 120.400 0.209 0.000 2.098 500 K HA 0.405 4.735 4.320 0.016 0.000 0.261 500 K C 0.460 177.187 176.600 0.212 0.000 0.987 500 K CA -0.381 56.004 56.287 0.164 0.000 0.916 500 K CB 0.592 33.189 32.500 0.162 0.000 1.039 500 K HN 0.532 nan 8.250 nan 0.000 0.455 501 E N 2.576 122.837 120.200 0.101 0.000 2.360 501 E HA 0.072 4.432 4.350 0.016 0.000 0.269 501 E C -0.214 176.376 176.600 -0.017 0.000 1.022 501 E CA -0.418 56.041 56.400 0.097 0.000 0.887 501 E CB 0.141 29.884 29.700 0.071 0.000 0.990 501 E HN 0.430 nan 8.360 nan 0.000 0.426 502 F N 2.391 122.211 119.950 -0.217 0.000 2.669 502 F HA 0.099 4.635 4.527 0.016 0.000 0.344 502 F C 0.783 176.523 175.800 -0.100 0.000 1.161 502 F CA 1.430 59.237 58.000 -0.322 0.000 1.377 502 F CB 0.662 39.578 39.000 -0.140 0.000 1.047 502 F HN 0.553 nan 8.300 nan 0.000 0.627 503 N N 3.009 121.144 118.700 -0.942 0.000 2.747 503 N HA 0.244 4.994 4.740 0.016 0.000 0.262 503 N C 0.057 175.166 175.510 -0.670 0.000 1.261 503 N CA 0.346 53.080 53.050 -0.528 0.000 0.809 503 N CB 1.460 39.722 38.487 -0.376 0.000 1.450 503 N HN 0.756 nan 8.380 nan 0.000 0.560 504 A N 2.492 125.155 122.820 -0.262 0.000 1.940 504 A HA -0.183 4.147 4.320 0.016 0.000 0.219 504 A C 1.970 179.520 177.584 -0.057 0.000 1.176 504 A CA 2.617 54.691 52.037 0.060 0.000 0.631 504 A CB -0.708 18.483 19.000 0.319 0.000 0.814 504 A HN 0.754 nan 8.150 nan 0.000 0.446 505 E N -0.786 119.342 120.200 -0.120 0.000 2.097 505 E HA -0.217 4.143 4.350 0.016 0.000 0.196 505 E C 1.949 178.356 176.600 -0.321 0.000 1.000 505 E CA 2.111 58.415 56.400 -0.161 0.000 0.804 505 E CB -1.798 27.825 29.700 -0.129 0.000 0.740 505 E HN 0.673 nan 8.360 nan 0.000 0.454 506 T N -0.430 113.836 114.554 -0.480 0.000 2.881 506 T HA 0.028 4.388 4.350 0.016 0.000 0.270 506 T C 0.433 174.534 174.700 -0.998 0.000 1.068 506 T CA 1.068 62.701 62.100 -0.779 0.000 1.131 506 T CB -0.234 68.009 68.868 -1.041 0.000 0.871 506 T HN 0.442 nan 8.240 nan 0.000 0.479 507 F N 1.283 121.061 119.950 -0.286 0.000 2.908 507 F HA 0.360 4.896 4.527 0.016 0.000 0.328 507 F C 0.397 176.197 175.800 -0.000 0.000 1.211 507 F CA -0.741 57.211 58.000 -0.081 0.000 1.291 507 F CB 0.102 39.163 39.000 0.101 0.000 0.962 507 F HN -0.201 nan 8.300 nan 0.000 0.505 508 T N 1.536 115.917 114.554 -0.289 0.000 2.770 508 T HA 0.532 4.892 4.350 0.016 0.000 0.283 508 T C -0.897 173.528 174.700 -0.459 0.000 0.988 508 T CA -0.227 61.786 62.100 -0.145 0.000 0.957 508 T CB 0.579 69.351 68.868 -0.160 0.000 0.930 508 T HN -0.135 nan 8.240 nan 0.000 0.443 509 F N 2.442 122.366 119.950 -0.043 0.000 2.477 509 F HA 0.457 4.994 4.527 0.016 0.000 0.335 509 F C 0.547 176.305 175.800 -0.071 0.000 1.130 509 F CA -1.185 56.817 58.000 0.004 0.000 0.948 509 F CB 0.945 40.162 39.000 0.361 0.000 1.154 509 F HN 0.575 nan 8.300 nan 0.000 0.439 510 H N 0.419 119.557 119.070 0.115 0.000 2.502 510 H HA 0.609 5.174 4.556 0.016 0.000 0.338 510 H C -0.001 175.040 175.328 -0.480 0.000 1.155 510 H CA -1.049 54.943 56.048 -0.094 0.000 1.237 510 H CB 1.510 31.246 29.762 -0.044 0.000 1.534 510 H HN 0.775 nan 8.280 nan 0.000 0.523 511 A N 2.079 124.549 122.820 -0.583 0.000 3.004 511 A HA -0.029 4.300 4.320 0.016 0.000 0.254 511 A C 0.132 177.539 177.584 -0.295 0.000 1.857 511 A CA 0.063 51.638 52.037 -0.770 0.000 1.460 511 A CB -0.741 17.966 19.000 -0.488 0.000 0.963 511 A HN 0.756 nan 8.150 nan 0.000 0.624 512 D N 0.201 120.487 120.400 -0.191 0.000 2.454 512 D HA -0.034 4.616 4.640 0.016 0.000 0.219 512 D C 1.566 177.839 176.300 -0.045 0.000 1.081 512 D CA 0.701 54.657 54.000 -0.074 0.000 0.867 512 D CB -0.466 40.321 40.800 -0.023 0.000 1.054 512 D HN 0.638 nan 8.370 nan 0.000 0.500 513 I N 0.597 121.137 120.570 -0.049 0.000 2.286 513 I HA -0.210 3.970 4.170 0.016 0.000 0.248 513 I C 2.112 178.248 176.117 0.032 0.000 1.115 513 I CA 0.948 62.270 61.300 0.037 0.000 1.392 513 I CB -1.135 36.945 38.000 0.132 0.000 1.065 513 I HN -0.076 nan 8.210 nan 0.000 0.418 514 c N -0.218 118.380 118.600 -0.004 0.000 2.419 514 c HA -0.082 4.498 4.570 0.016 0.000 0.281 514 c C 2.450 176.547 174.090 0.012 0.000 1.336 514 c CA 1.121 57.467 56.329 0.027 0.000 1.770 514 c CB -2.140 40.391 42.510 0.035 0.000 1.929 514 c HN 0.724 nan 8.230 nan 0.000 0.509 515 T N -0.150 114.402 114.554 -0.003 0.000 3.176 515 T HA 0.399 4.758 4.350 0.016 0.000 0.263 515 T C 0.131 174.835 174.700 0.005 0.000 1.021 515 T CA -0.047 62.053 62.100 -0.001 0.000 0.905 515 T CB -0.395 68.467 68.868 -0.009 0.000 1.057 515 T HN 0.365 nan 8.240 nan 0.000 0.558 516 L N 1.947 123.178 121.223 0.014 0.000 2.352 516 L HA 0.561 4.911 4.340 0.016 0.000 0.269 516 L C 0.789 177.670 176.870 0.018 0.000 1.034 516 L CA -0.982 53.869 54.840 0.019 0.000 0.806 516 L CB 1.746 43.824 42.059 0.032 0.000 1.244 516 L HN 0.268 nan 8.230 nan 0.000 0.447 517 S N -0.052 115.658 115.700 0.017 0.000 2.584 517 S HA 0.067 4.547 4.470 0.016 0.000 0.270 517 S C 0.878 175.484 174.600 0.010 0.000 1.346 517 S CA -0.594 57.612 58.200 0.012 0.000 1.018 517 S CB 1.086 64.293 63.200 0.013 0.000 0.899 517 S HN 0.602 nan 8.310 nan 0.000 0.542 518 E N 2.157 122.356 120.200 -0.003 0.000 2.048 518 E HA -0.233 4.127 4.350 0.016 0.000 0.202 518 E C 2.693 179.290 176.600 -0.005 0.000 1.021 518 E CA 2.211 58.598 56.400 -0.022 0.000 0.825 518 E CB -1.153 28.528 29.700 -0.032 0.000 0.756 518 E HN 0.869 nan 8.360 nan 0.000 0.454 519 K N 1.465 121.873 120.400 0.013 0.000 2.059 519 K HA -0.238 4.092 4.320 0.016 0.000 0.212 519 K C 1.989 178.617 176.600 0.046 0.000 1.050 519 K CA 2.015 58.322 56.287 0.034 0.000 0.927 519 K CB -0.788 31.731 32.500 0.032 0.000 0.714 519 K HN 0.035 nan 8.250 nan 0.000 0.447 520 E N -0.019 120.204 120.200 0.039 0.000 2.072 520 E HA -0.063 4.297 4.350 0.016 0.000 0.191 520 E C 2.293 178.935 176.600 0.070 0.000 0.985 520 E CA 1.121 57.551 56.400 0.049 0.000 0.801 520 E CB -0.248 29.475 29.700 0.039 0.000 0.750 520 E HN 0.630 nan 8.360 nan 0.000 0.452 521 R N 0.446 120.985 120.500 0.064 0.000 2.080 521 R HA -0.146 4.204 4.340 0.016 0.000 0.236 521 R C 2.532 178.909 176.300 0.128 0.000 1.137 521 R CA 1.805 57.962 56.100 0.095 0.000 0.943 521 R CB -0.258 30.077 30.300 0.058 0.000 0.846 521 R HN 0.269 nan 8.270 nan 0.000 0.431 522 Q N 0.248 120.105 119.800 0.095 0.000 2.002 522 Q HA -0.164 4.185 4.340 0.016 0.000 0.204 522 Q C 2.210 178.339 176.000 0.214 0.000 0.988 522 Q CA 1.697 57.625 55.803 0.208 0.000 0.843 522 Q CB -0.287 28.581 28.738 0.218 0.000 0.908 522 Q HN 0.345 nan 8.270 nan 0.000 0.420 523 I N 0.869 121.524 120.570 0.143 0.000 2.399 523 I HA -0.324 3.856 4.170 0.016 0.000 0.254 523 I C 2.229 178.402 176.117 0.094 0.000 1.146 523 I CA 1.289 62.650 61.300 0.102 0.000 1.412 523 I CB -0.228 37.813 38.000 0.069 0.000 1.076 523 I HN 0.185 nan 8.210 nan 0.000 0.432 524 K N 0.823 121.294 120.400 0.119 0.000 2.044 524 K HA -0.093 4.237 4.320 0.016 0.000 0.204 524 K C 2.111 178.814 176.600 0.173 0.000 1.049 524 K CA 1.069 57.434 56.287 0.130 0.000 0.945 524 K CB -0.040 32.557 32.500 0.162 0.000 0.724 524 K HN 0.298 nan 8.250 nan 0.000 0.440 525 K N 1.030 121.561 120.400 0.218 0.000 2.097 525 K HA -0.150 4.180 4.320 0.016 0.000 0.205 525 K C 2.222 178.867 176.600 0.076 0.000 1.050 525 K CA 1.188 57.581 56.287 0.176 0.000 0.938 525 K CB -0.055 32.595 32.500 0.250 0.000 0.718 525 K HN 0.144 nan 8.250 nan 0.000 0.442 526 Q N 0.322 120.184 119.800 0.103 0.000 2.119 526 Q HA -0.098 4.252 4.340 0.016 0.000 0.201 526 Q C 1.883 177.890 176.000 0.012 0.000 0.972 526 Q CA 1.698 57.523 55.803 0.037 0.000 0.847 526 Q CB 0.030 28.797 28.738 0.049 0.000 0.903 526 Q HN 0.311 nan 8.270 nan 0.000 0.433 527 T N 0.257 114.824 114.554 0.021 0.000 2.867 527 T HA -0.088 4.272 4.350 0.016 0.000 0.268 527 T C 1.764 176.447 174.700 -0.028 0.000 1.057 527 T CA 1.040 63.134 62.100 -0.010 0.000 1.136 527 T CB -0.148 68.706 68.868 -0.023 0.000 0.874 527 T HN 0.351 nan 8.240 nan 0.000 0.466 528 A N 1.218 124.036 122.820 -0.003 0.000 1.968 528 A HA 0.080 4.409 4.320 0.016 0.000 0.217 528 A C 2.169 179.805 177.584 0.086 0.000 1.169 528 A CA 0.803 52.854 52.037 0.023 0.000 0.638 528 A CB -0.621 18.468 19.000 0.149 0.000 0.812 528 A HN 0.369 nan 8.150 nan 0.000 0.446 529 L N 0.105 121.339 121.223 0.019 0.000 2.017 529 L HA -0.102 4.248 4.340 0.016 0.000 0.208 529 L C 2.429 179.311 176.870 0.019 0.000 1.073 529 L CA 1.925 56.766 54.840 0.001 0.000 0.745 529 L CB -0.807 41.223 42.059 -0.049 0.000 0.894 529 L HN 0.171 nan 8.230 nan 0.000 0.432 530 V N -0.180 119.735 119.914 0.002 0.000 2.287 530 V HA -0.248 3.882 4.120 0.016 0.000 0.248 530 V C 2.657 178.770 176.094 0.031 0.000 1.053 530 V CA 1.790 64.089 62.300 -0.001 0.000 1.027 530 V CB -0.692 31.123 31.823 -0.013 0.000 0.646 530 V HN 0.440 nan 8.190 nan 0.000 0.447 531 E N -0.104 120.117 120.200 0.035 0.000 2.153 531 E HA -0.195 4.164 4.350 0.016 0.000 0.194 531 E C 2.091 178.843 176.600 0.253 0.000 0.988 531 E CA 1.121 57.557 56.400 0.060 0.000 0.811 531 E CB -0.390 29.239 29.700 -0.118 0.000 0.746 531 E HN 0.513 nan 8.360 nan 0.000 0.466 532 L N 0.387 121.793 121.223 0.305 0.000 2.093 532 L HA -0.110 4.240 4.340 0.016 0.000 0.208 532 L C 2.120 179.097 176.870 0.178 0.000 1.085 532 L CA 1.322 56.352 54.840 0.317 0.000 0.755 532 L CB -0.428 41.741 42.059 0.183 0.000 0.904 532 L HN -0.118 nan 8.230 nan 0.000 0.435 533 V N -0.259 119.715 119.914 0.101 0.000 2.548 533 V HA -0.177 3.952 4.120 0.016 0.000 0.249 533 V C 2.495 178.629 176.094 0.067 0.000 1.055 533 V CA 1.613 63.940 62.300 0.045 0.000 1.065 533 V CB -0.838 30.979 31.823 -0.010 0.000 0.681 533 V HN 0.435 nan 8.190 nan 0.000 0.462 534 K N -0.409 120.053 120.400 0.103 0.000 2.288 534 K HA -0.160 4.169 4.320 0.016 0.000 0.201 534 K C 2.124 178.917 176.600 0.321 0.000 1.048 534 K CA 1.249 57.625 56.287 0.148 0.000 0.956 534 K CB -0.165 32.415 32.500 0.134 0.000 0.746 534 K HN 0.543 nan 8.250 nan 0.000 0.461 535 H N 0.579 119.761 119.070 0.186 0.000 2.431 535 H HA 0.089 4.655 4.556 0.016 0.000 0.295 535 H C -0.088 175.333 175.328 0.156 0.000 1.038 535 H CA 0.869 57.034 56.048 0.194 0.000 1.360 535 H CB 0.634 30.536 29.762 0.234 0.000 1.433 535 H HN -0.279 nan 8.280 nan 0.000 0.536 536 K N 1.200 121.585 120.400 -0.025 0.000 2.679 536 K HA 0.252 4.582 4.320 0.016 0.000 0.188 536 K C -2.347 174.245 176.600 -0.013 0.000 1.055 536 K CA -1.023 55.196 56.287 -0.113 0.000 1.006 536 K CB 1.141 33.534 32.500 -0.179 0.000 1.317 536 K HN 0.337 nan 8.250 nan 0.000 0.584 537 P HA -0.111 nan 4.420 nan 0.000 0.218 537 P C 0.778 178.084 177.300 0.010 0.000 1.149 537 P CA 1.029 64.150 63.100 0.035 0.000 0.817 537 P CB 0.263 32.027 31.700 0.107 0.000 0.785 538 K N -0.642 119.763 120.400 0.007 0.000 2.458 538 K HA 0.259 4.589 4.320 0.016 0.000 0.194 538 K C 0.912 177.503 176.600 -0.016 0.000 1.024 538 K CA -0.052 56.233 56.287 -0.002 0.000 1.108 538 K CB -0.207 32.294 32.500 0.001 0.000 0.846 538 K HN 0.080 nan 8.250 nan 0.000 0.518 539 A N 1.710 124.516 122.820 -0.025 0.000 2.507 539 A HA 0.124 4.453 4.320 0.016 0.000 0.235 539 A C 0.400 177.969 177.584 -0.026 0.000 1.070 539 A CA 0.211 52.230 52.037 -0.030 0.000 0.768 539 A CB 0.118 19.096 19.000 -0.036 0.000 1.011 539 A HN 0.186 nan 8.150 nan 0.000 0.502 540 T N 1.090 115.629 114.554 -0.025 0.000 2.847 540 T HA 0.525 4.885 4.350 0.016 0.000 0.279 540 T C 1.809 176.493 174.700 -0.026 0.000 0.984 540 T CA 0.052 62.139 62.100 -0.023 0.000 0.988 540 T CB 1.153 70.009 68.868 -0.019 0.000 1.040 540 T HN 0.866 nan 8.240 nan 0.000 0.528 541 K N 0.446 120.831 120.400 -0.025 0.000 2.365 541 K HA -0.014 4.316 4.320 0.016 0.000 0.199 541 K C 1.785 178.372 176.600 -0.021 0.000 1.045 541 K CA 1.318 57.589 56.287 -0.028 0.000 0.962 541 K CB -0.647 31.837 32.500 -0.027 0.000 0.759 541 K HN 0.768 nan 8.250 nan 0.000 0.469 542 E N -0.122 120.068 120.200 -0.018 0.000 2.057 542 E HA -0.090 4.270 4.350 0.016 0.000 0.190 542 E C 2.347 178.938 176.600 -0.015 0.000 0.969 542 E CA 0.550 56.942 56.400 -0.014 0.000 0.812 542 E CB 0.085 29.779 29.700 -0.011 0.000 0.777 542 E HN 0.647 nan 8.360 nan 0.000 0.455 543 Q N 0.465 120.254 119.800 -0.018 0.000 2.112 543 Q HA -0.210 4.140 4.340 0.016 0.000 0.206 543 Q C 2.197 178.183 176.000 -0.023 0.000 0.987 543 Q CA 1.138 56.928 55.803 -0.021 0.000 0.858 543 Q CB -0.072 28.650 28.738 -0.026 0.000 0.905 543 Q HN 0.133 nan 8.270 nan 0.000 0.420 544 L N 1.054 122.262 121.223 -0.025 0.000 2.023 544 L HA -0.146 4.204 4.340 0.016 0.000 0.205 544 L C 2.297 179.154 176.870 -0.020 0.000 1.073 544 L CA 1.683 56.507 54.840 -0.028 0.000 0.745 544 L CB -0.540 41.498 42.059 -0.034 0.000 0.900 544 L HN 0.069 nan 8.230 nan 0.000 0.435 545 K N -0.521 119.869 120.400 -0.017 0.000 2.218 545 K HA -0.223 4.107 4.320 0.016 0.000 0.205 545 K C 1.821 178.424 176.600 0.004 0.000 1.046 545 K CA 1.383 57.666 56.287 -0.007 0.000 0.933 545 K CB -0.001 32.496 32.500 -0.006 0.000 0.728 545 K HN 0.362 nan 8.250 nan 0.000 0.454 546 A N 0.585 123.404 122.820 -0.001 0.000 1.840 546 A HA -0.087 4.242 4.320 0.016 0.000 0.214 546 A C 2.247 179.837 177.584 0.011 0.000 1.198 546 A CA 1.419 53.459 52.037 0.004 0.000 0.608 546 A CB -0.710 18.288 19.000 -0.003 0.000 0.839 546 A HN 0.129 nan 8.150 nan 0.000 0.443 547 V N 0.061 119.975 119.914 0.000 0.000 2.380 547 V HA -0.338 3.792 4.120 0.016 0.000 0.251 547 V C 2.604 178.719 176.094 0.034 0.000 1.063 547 V CA 2.314 64.615 62.300 0.003 0.000 1.055 547 V CB -0.721 31.087 31.823 -0.025 0.000 0.657 547 V HN 0.561 nan 8.190 nan 0.000 0.455 548 M N -0.232 119.384 119.600 0.027 0.000 2.394 548 M HA -0.108 4.381 4.480 0.016 0.000 0.264 548 M C 2.053 178.419 176.300 0.111 0.000 1.073 548 M CA 1.811 57.144 55.300 0.055 0.000 1.111 548 M CB -0.687 31.925 32.600 0.020 0.000 1.401 548 M HN 0.670 nan 8.290 nan 0.000 0.448 549 D N 0.258 120.703 120.400 0.076 0.000 2.120 549 D HA -0.163 4.486 4.640 0.016 0.000 0.202 549 D C 1.495 177.844 176.300 0.083 0.000 0.972 549 D CA 1.403 55.446 54.000 0.073 0.000 0.837 549 D CB -0.505 40.321 40.800 0.042 0.000 0.989 549 D HN 0.330 nan 8.370 nan 0.000 0.469 550 D N -0.846 119.598 120.400 0.073 0.000 2.144 550 D HA -0.058 4.591 4.640 0.016 0.000 0.199 550 D C 1.644 177.998 176.300 0.091 0.000 0.984 550 D CA 0.631 54.668 54.000 0.061 0.000 0.834 550 D CB -0.548 40.271 40.800 0.032 0.000 0.955 550 D HN 0.524 nan 8.370 nan 0.000 0.465 551 F N 1.429 121.353 119.950 -0.044 0.000 2.259 551 F HA 0.031 4.568 4.527 0.017 0.000 0.298 551 F C 2.096 177.918 175.800 0.037 0.000 1.088 551 F CA 0.891 58.846 58.000 -0.074 0.000 1.358 551 F CB -0.059 38.863 39.000 -0.130 0.000 1.040 551 F HN -0.085 nan 8.300 nan 0.000 0.505 552 A N 0.892 123.861 122.820 0.249 0.000 1.841 552 A HA -0.116 4.214 4.320 0.016 0.000 0.216 552 A C 2.492 180.094 177.584 0.030 0.000 1.199 552 A CA 2.165 54.303 52.037 0.168 0.000 0.621 552 A CB -1.683 17.405 19.000 0.147 0.000 0.835 552 A HN 0.479 nan 8.150 nan 0.000 0.445 553 A N -1.151 121.683 122.820 0.023 0.000 1.892 553 A HA -0.126 4.204 4.320 0.016 0.000 0.218 553 A C 2.059 179.592 177.584 -0.086 0.000 1.188 553 A CA 1.902 53.925 52.037 -0.023 0.000 0.631 553 A CB -0.963 18.032 19.000 -0.007 0.000 0.822 553 A HN 0.864 nan 8.150 nan 0.000 0.447 554 F N 1.206 121.002 119.950 -0.256 0.000 2.063 554 F HA -0.328 4.209 4.527 0.016 0.000 0.297 554 F C 2.191 177.703 175.800 -0.480 0.000 1.099 554 F CA 2.604 60.370 58.000 -0.389 0.000 1.220 554 F CB -0.675 38.020 39.000 -0.509 0.000 0.972 554 F HN 0.064 nan 8.300 nan 0.000 0.487 555 V N 0.288 119.951 119.914 -0.419 0.000 2.252 555 V HA -0.333 3.797 4.120 0.016 0.000 0.249 555 V C 2.757 178.671 176.094 -0.301 0.000 1.056 555 V CA 2.733 64.805 62.300 -0.380 0.000 1.022 555 V CB -2.084 29.657 31.823 -0.136 0.000 0.641 555 V HN 0.603 nan 8.190 nan 0.000 0.445 556 E N 0.299 120.378 120.200 -0.203 0.000 2.085 556 E HA -0.314 4.046 4.350 0.016 0.000 0.194 556 E C 2.375 178.856 176.600 -0.199 0.000 0.994 556 E CA 1.987 58.301 56.400 -0.143 0.000 0.801 556 E CB -0.702 28.943 29.700 -0.092 0.000 0.743 556 E HN 0.547 nan 8.360 nan 0.000 0.453 557 K N -0.898 119.327 120.400 -0.291 0.000 2.283 557 K HA -0.017 4.313 4.320 0.016 0.000 0.202 557 K C 1.883 178.244 176.600 -0.399 0.000 1.048 557 K CA 1.123 57.227 56.287 -0.305 0.000 0.948 557 K CB -1.108 31.212 32.500 -0.299 0.000 0.742 557 K HN 0.723 nan 8.250 nan 0.000 0.458 558 c N -1.201 117.032 118.600 -0.612 0.000 3.230 558 c HA 0.420 4.999 4.570 0.016 0.000 0.300 558 c C 1.349 175.390 174.090 -0.083 0.000 1.292 558 c CA -0.371 55.596 56.329 -0.603 0.000 1.707 558 c CB -0.544 40.983 42.510 -1.639 0.000 2.181 558 c HN 0.678 nan 8.230 nan 0.000 0.655 559 c N 1.012 119.591 118.600 -0.035 0.000 2.638 559 c HA 0.312 4.892 4.570 0.016 0.000 0.282 559 c C 1.159 175.258 174.090 0.015 0.000 1.473 559 c CA -0.041 56.355 56.329 0.112 0.000 1.781 559 c CB -1.694 40.923 42.510 0.179 0.000 2.780 559 c HN 0.627 nan 8.230 nan 0.000 0.531 560 K N 0.373 120.756 120.400 -0.028 0.000 2.646 560 K HA 0.336 4.665 4.320 0.016 0.000 0.177 560 K C -0.216 176.359 176.600 -0.043 0.000 1.222 560 K CA 0.141 56.407 56.287 -0.034 0.000 1.138 560 K CB 0.516 32.987 32.500 -0.048 0.000 0.955 560 K HN 0.346 nan 8.250 nan 0.000 0.524 561 A N -0.047 122.748 122.820 -0.043 0.000 2.350 561 A HA 0.520 4.850 4.320 0.016 0.000 0.324 561 A C 0.622 178.196 177.584 -0.015 0.000 1.118 561 A CA 0.301 52.312 52.037 -0.044 0.000 0.783 561 A CB 1.104 20.056 19.000 -0.080 0.000 1.236 561 A HN 0.284 nan 8.150 nan 0.000 0.457 562 D N 0.726 121.118 120.400 -0.014 0.000 2.190 562 D HA -0.115 4.535 4.640 0.016 0.000 0.200 562 D C 0.249 176.554 176.300 0.008 0.000 0.992 562 D CA 1.932 55.931 54.000 -0.003 0.000 0.854 562 D CB -0.090 40.707 40.800 -0.005 0.000 0.936 562 D HN 0.589 nan 8.370 nan 0.000 0.462 563 D N -1.548 118.858 120.400 0.010 0.000 2.464 563 D HA 0.492 5.141 4.640 0.016 0.000 0.243 563 D C 1.200 177.534 176.300 0.056 0.000 1.104 563 D CA 0.393 54.410 54.000 0.028 0.000 0.883 563 D CB 1.096 41.910 40.800 0.022 0.000 1.050 563 D HN 0.299 nan 8.370 nan 0.000 0.524 564 K N 1.211 121.664 120.400 0.088 0.000 1.975 564 K HA -0.117 4.212 4.320 0.016 0.000 0.217 564 K C 1.795 178.567 176.600 0.287 0.000 1.037 564 K CA 1.588 57.988 56.287 0.188 0.000 0.971 564 K CB -1.200 31.378 32.500 0.129 0.000 0.749 564 K HN 0.366 nan 8.250 nan 0.000 0.444 565 E N 0.316 120.628 120.200 0.186 0.000 2.273 565 E HA -0.141 4.218 4.350 0.016 0.000 0.198 565 E C 2.260 178.996 176.600 0.228 0.000 1.002 565 E CA 1.349 57.878 56.400 0.215 0.000 0.828 565 E CB -1.070 28.703 29.700 0.121 0.000 0.747 565 E HN 0.720 nan 8.360 nan 0.000 0.491 566 T N -0.559 114.091 114.554 0.159 0.000 2.770 566 T HA -0.131 4.229 4.350 0.016 0.000 0.258 566 T C 1.990 176.768 174.700 0.130 0.000 1.039 566 T CA 1.196 63.371 62.100 0.125 0.000 1.143 566 T CB -0.552 68.361 68.868 0.076 0.000 0.866 566 T HN 0.578 nan 8.240 nan 0.000 0.428 567 c N 0.745 119.399 118.600 0.090 0.000 2.398 567 c HA -0.100 4.479 4.570 0.016 0.000 0.276 567 c C 2.300 176.386 174.090 -0.006 0.000 1.222 567 c CA 0.635 56.953 56.329 -0.018 0.000 1.746 567 c CB -1.733 40.693 42.510 -0.140 0.000 2.039 567 c HN 0.601 nan 8.230 nan 0.000 0.470 568 F N 0.831 120.809 119.950 0.045 0.000 2.451 568 F HA 0.084 4.621 4.527 0.016 0.000 0.299 568 F C 2.262 178.250 175.800 0.312 0.000 1.101 568 F CA 1.215 59.344 58.000 0.215 0.000 1.436 568 F CB -0.116 38.998 39.000 0.191 0.000 1.074 568 F HN 0.348 nan 8.300 nan 0.000 0.553 569 A N -0.820 122.218 122.820 0.363 0.000 2.108 569 A HA 0.252 4.582 4.320 0.016 0.000 0.206 569 A C 1.847 179.554 177.584 0.205 0.000 1.212 569 A CA 0.898 53.107 52.037 0.286 0.000 0.843 569 A CB -0.609 18.540 19.000 0.248 0.000 0.902 569 A HN 0.260 nan 8.150 nan 0.000 0.477 570 E N -0.116 120.185 120.200 0.169 0.000 2.166 570 E HA 0.022 4.381 4.350 0.016 0.000 0.192 570 E C 1.741 178.415 176.600 0.123 0.000 0.967 570 E CA 0.886 57.357 56.400 0.119 0.000 0.840 570 E CB -0.381 29.367 29.700 0.081 0.000 0.795 570 E HN 0.393 nan 8.360 nan 0.000 0.470 571 E N 0.337 120.631 120.200 0.157 0.000 2.158 571 E HA 0.012 4.372 4.350 0.016 0.000 0.191 571 E C 2.356 179.136 176.600 0.301 0.000 0.982 571 E CA 0.929 57.456 56.400 0.211 0.000 0.823 571 E CB -0.279 29.516 29.700 0.159 0.000 0.766 571 E HN 0.493 nan 8.360 nan 0.000 0.468 572 G N 1.226 110.229 108.800 0.339 0.000 2.421 572 G HA2 -0.275 3.694 3.960 0.016 0.000 0.216 572 G HA3 -0.275 3.694 3.960 0.016 0.000 0.216 572 G C 1.871 176.799 174.900 0.046 0.000 1.171 572 G CA 0.900 46.036 45.100 0.061 0.000 0.775 572 G HN 0.186 nan 8.290 nan 0.000 0.543 573 K N 0.279 120.746 120.400 0.111 0.000 2.211 573 K HA -0.009 4.321 4.320 0.016 0.000 0.204 573 K C 2.466 179.095 176.600 0.049 0.000 1.047 573 K CA 1.451 57.793 56.287 0.091 0.000 0.935 573 K CB -0.296 32.260 32.500 0.093 0.000 0.728 573 K HN 0.474 nan 8.250 nan 0.000 0.452 574 K N -0.248 120.176 120.400 0.041 0.000 2.031 574 K HA 0.006 4.336 4.320 0.016 0.000 0.205 574 K C 2.182 178.774 176.600 -0.013 0.000 1.049 574 K CA 1.216 57.514 56.287 0.018 0.000 0.939 574 K CB -0.269 32.251 32.500 0.033 0.000 0.717 574 K HN 0.032 nan 8.250 nan 0.000 0.438 575 L N 0.854 122.045 121.223 -0.054 0.000 1.989 575 L HA -0.199 4.151 4.340 0.016 0.000 0.211 575 L C 2.142 178.980 176.870 -0.053 0.000 1.071 575 L CA 1.464 56.248 54.840 -0.095 0.000 0.749 575 L CB -0.510 41.395 42.059 -0.256 0.000 0.890 575 L HN -0.063 nan 8.230 nan 0.000 0.431 576 V N -0.406 119.499 119.914 -0.016 0.000 2.469 576 V HA -0.321 3.809 4.120 0.016 0.000 0.251 576 V C 2.624 178.703 176.094 -0.024 0.000 1.064 576 V CA 1.597 63.915 62.300 0.031 0.000 1.066 576 V CB -1.055 30.867 31.823 0.167 0.000 0.667 576 V HN 0.589 nan 8.190 nan 0.000 0.461 577 A N -0.317 122.487 122.820 -0.026 0.000 1.897 577 A HA -0.016 4.314 4.320 0.016 0.000 0.215 577 A C 2.405 179.959 177.584 -0.051 0.000 1.181 577 A CA 1.842 53.850 52.037 -0.050 0.000 0.620 577 A CB -0.667 18.317 19.000 -0.027 0.000 0.821 577 A HN 0.542 nan 8.150 nan 0.000 0.443 578 A N -0.639 122.159 122.820 -0.037 0.000 1.873 578 A HA -0.018 4.312 4.320 0.016 0.000 0.215 578 A C 2.458 180.017 177.584 -0.041 0.000 1.186 578 A CA 1.956 53.973 52.037 -0.034 0.000 0.616 578 A CB -0.943 18.042 19.000 -0.025 0.000 0.823 578 A HN 0.425 nan 8.150 nan 0.000 0.442 579 S N -0.604 115.069 115.700 -0.045 0.000 2.351 579 S HA -0.261 4.219 4.470 0.016 0.000 0.220 579 S C 2.115 176.681 174.600 -0.057 0.000 1.035 579 S CA 1.645 59.815 58.200 -0.050 0.000 1.031 579 S CB -0.439 62.724 63.200 -0.061 0.000 0.928 579 S HN 0.664 nan 8.310 nan 0.000 0.433 580 Q N 0.177 119.937 119.800 -0.067 0.000 2.268 580 Q HA -0.184 4.166 4.340 0.016 0.000 0.210 580 Q C 2.082 178.039 176.000 -0.072 0.000 0.988 580 Q CA 1.387 57.143 55.803 -0.080 0.000 0.883 580 Q CB -0.223 28.413 28.738 -0.169 0.000 0.911 580 Q HN 0.609 nan 8.270 nan 0.000 0.430 581 A N -0.168 122.615 122.820 -0.063 0.000 1.878 581 A HA 0.086 4.416 4.320 0.016 0.000 0.213 581 A C 2.173 179.731 177.584 -0.042 0.000 1.192 581 A CA 1.008 53.015 52.037 -0.051 0.000 0.619 581 A CB -0.698 18.276 19.000 -0.044 0.000 0.837 581 A HN 0.447 nan 8.150 nan 0.000 0.446 582 A N 0.377 123.173 122.820 -0.040 0.000 1.865 582 A HA -0.046 4.284 4.320 0.016 0.000 0.217 582 A C 1.635 179.196 177.584 -0.038 0.000 1.191 582 A CA 1.426 53.442 52.037 -0.034 0.000 0.623 582 A CB -0.802 18.179 19.000 -0.031 0.000 0.826 582 A HN 0.503 nan 8.150 nan 0.000 0.444 583 L N 0.515 121.710 121.223 -0.047 0.000 2.777 583 L HA 0.297 4.647 4.340 0.016 0.000 0.244 583 L C 1.302 178.135 176.870 -0.062 0.000 1.235 583 L CA -0.172 54.634 54.840 -0.056 0.000 1.062 583 L CB -1.900 40.116 42.059 -0.071 0.000 1.340 583 L HN 0.553 nan 8.230 nan 0.000 0.439 584 G N 0.000 108.771 108.800 -0.049 0.000 5.446 584 G HA2 0.000 3.970 3.960 0.016 0.000 0.244 584 G HA3 0.000 3.970 3.960 0.016 0.000 0.244 584 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925