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 2i2z_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 SAKQRLXcAS 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 0.000 175.306 175.328 -0.036 0.000 0.993 3 H CA 0.000 55.988 56.048 -0.099 0.000 1.023 3 H CB 0.000 29.651 29.762 -0.185 0.000 1.292 4 K N -0.261 120.203 120.400 0.106 0.000 3.045 4 K HA -0.106 4.216 4.320 0.002 0.000 0.443 4 K C 0.113 176.764 176.600 0.085 0.000 0.350 4 K CA 0.974 57.304 56.287 0.072 0.000 1.960 4 K CB -1.216 31.318 32.500 0.056 0.000 0.534 4 K HN 0.081 nan 8.250 nan 0.000 0.394 5 S N 0.520 116.282 115.700 0.103 0.000 2.779 5 S HA 0.324 4.795 4.470 0.002 0.000 0.293 5 S C 0.193 174.872 174.600 0.131 0.000 1.150 5 S CA -0.549 57.708 58.200 0.095 0.000 1.057 5 S CB 1.737 64.959 63.200 0.035 0.000 1.021 5 S HN 0.289 nan 8.310 nan 0.000 0.485 6 E N 2.250 122.545 120.200 0.157 0.000 2.017 6 E HA -0.151 4.201 4.350 0.002 0.000 0.193 6 E C 2.074 178.786 176.600 0.187 0.000 0.997 6 E CA 1.913 58.425 56.400 0.187 0.000 0.804 6 E CB -0.184 29.618 29.700 0.171 0.000 0.757 6 E HN 0.733 nan 8.360 nan 0.000 0.448 7 V N 0.382 120.410 119.914 0.189 0.000 2.250 7 V HA -0.327 3.794 4.120 0.002 0.000 0.250 7 V C 2.380 178.554 176.094 0.132 0.000 1.060 7 V CA 2.009 64.443 62.300 0.223 0.000 1.030 7 V CB -1.502 30.448 31.823 0.212 0.000 0.643 7 V HN 0.294 nan 8.190 nan 0.000 0.445 8 A N 0.025 122.857 122.820 0.020 0.000 1.884 8 A HA -0.357 3.964 4.320 0.002 0.000 0.219 8 A C 2.374 180.001 177.584 0.073 0.000 1.197 8 A CA 2.478 54.504 52.037 -0.018 0.000 0.637 8 A CB -1.311 17.663 19.000 -0.043 0.000 0.827 8 A HN 0.845 nan 8.150 nan 0.000 0.450 9 H N -0.726 118.323 119.070 -0.034 0.000 2.321 9 H HA -0.108 4.450 4.556 0.002 0.000 0.300 9 H C 2.297 177.604 175.328 -0.036 0.000 1.087 9 H CA 1.638 57.614 56.048 -0.120 0.000 1.319 9 H CB 0.004 29.551 29.762 -0.358 0.000 1.379 9 H HN 0.292 nan 8.280 nan 0.000 0.501 10 R N 0.035 120.505 120.500 -0.051 0.000 2.073 10 R HA -0.146 4.196 4.340 0.002 0.000 0.234 10 R C 2.388 178.713 176.300 0.040 0.000 1.134 10 R CA 0.988 57.076 56.100 -0.020 0.000 0.952 10 R CB -1.318 29.085 30.300 0.172 0.000 0.850 10 R HN 0.331 nan 8.270 nan 0.000 0.433 11 F N 2.286 122.208 119.950 -0.046 0.000 2.069 11 F HA -0.225 4.304 4.527 0.003 0.000 0.298 11 F C 2.253 177.953 175.800 -0.167 0.000 1.113 11 F CA 1.721 59.594 58.000 -0.211 0.000 1.214 11 F CB -0.080 38.657 39.000 -0.438 0.000 0.978 11 F HN -0.098 nan 8.300 nan 0.000 0.474 12 K N -0.251 120.177 120.400 0.046 0.000 2.020 12 K HA -0.238 4.083 4.320 0.002 0.000 0.212 12 K C 1.326 177.842 176.600 -0.140 0.000 1.050 12 K CA 2.012 58.282 56.287 -0.028 0.000 0.929 12 K CB -0.679 31.821 32.500 -0.001 0.000 0.714 12 K HN 0.491 nan 8.250 nan 0.000 0.443 13 D N -0.447 119.822 120.400 -0.219 0.000 2.325 13 D HA -0.024 4.617 4.640 0.002 0.000 0.225 13 D C 1.220 177.434 176.300 -0.143 0.000 1.096 13 D CA 0.130 54.018 54.000 -0.187 0.000 0.844 13 D CB 0.322 40.979 40.800 -0.238 0.000 0.925 13 D HN -0.018 nan 8.370 nan 0.000 0.513 14 L N 0.157 121.286 121.223 -0.157 0.000 2.526 14 L HA 0.470 4.812 4.340 0.002 0.000 0.210 14 L C 0.946 177.721 176.870 -0.157 0.000 1.048 14 L CA 1.348 56.121 54.840 -0.112 0.000 0.852 14 L CB 0.235 42.273 42.059 -0.035 0.000 1.128 14 L HN 0.342 nan 8.230 nan 0.000 0.482 15 G N -0.110 108.504 108.800 -0.310 0.000 2.784 15 G HA2 -0.182 3.780 3.960 0.002 0.000 0.686 15 G HA3 -0.182 3.780 3.960 0.002 0.000 0.686 15 G C 0.332 174.945 174.900 -0.478 0.000 1.156 15 G CA 0.068 44.966 45.100 -0.337 0.000 0.757 15 G HN 0.186 nan 8.290 nan 0.000 0.642 16 E N 0.075 119.958 120.200 -0.530 0.000 2.085 16 E HA -0.188 4.164 4.350 0.002 0.000 0.194 16 E C 2.148 178.712 176.600 -0.061 0.000 0.994 16 E CA 1.721 57.891 56.400 -0.384 0.000 0.801 16 E CB 0.005 29.654 29.700 -0.086 0.000 0.743 16 E HN 0.562 nan 8.360 nan 0.000 0.453 17 E N 0.690 120.867 120.200 -0.038 0.000 2.038 17 E HA -0.188 4.163 4.350 0.002 0.000 0.195 17 E C 1.882 178.506 176.600 0.041 0.000 1.000 17 E CA 0.990 57.405 56.400 0.026 0.000 0.803 17 E CB -0.471 29.241 29.700 0.020 0.000 0.750 17 E HN 0.330 nan 8.360 nan 0.000 0.448 18 N N 0.386 119.090 118.700 0.007 0.000 2.142 18 N HA -0.130 4.611 4.740 0.002 0.000 0.186 18 N C 1.816 177.345 175.510 0.032 0.000 1.023 18 N CA 0.579 53.629 53.050 0.001 0.000 0.852 18 N CB -0.586 37.883 38.487 -0.030 0.000 0.998 18 N HN 0.128 nan 8.380 nan 0.000 0.424 19 F N 2.444 122.321 119.950 -0.122 0.000 2.069 19 F HA -0.169 4.359 4.527 0.003 0.000 0.298 19 F C 2.136 177.947 175.800 0.019 0.000 1.113 19 F CA 1.547 59.504 58.000 -0.072 0.000 1.214 19 F CB 0.008 38.928 39.000 -0.132 0.000 0.978 19 F HN -0.101 nan 8.300 nan 0.000 0.474 20 K N 0.048 120.647 120.400 0.332 0.000 2.147 20 K HA -0.148 4.174 4.320 0.002 0.000 0.205 20 K C 2.194 178.854 176.600 0.099 0.000 1.049 20 K CA 1.039 57.471 56.287 0.241 0.000 0.936 20 K CB -0.432 32.203 32.500 0.225 0.000 0.722 20 K HN 0.409 nan 8.250 nan 0.000 0.446 21 A N 1.214 124.069 122.820 0.058 0.000 1.874 21 A HA -0.049 4.272 4.320 0.002 0.000 0.214 21 A C 2.101 179.666 177.584 -0.030 0.000 1.189 21 A CA 0.843 52.897 52.037 0.029 0.000 0.615 21 A CB -0.433 18.580 19.000 0.021 0.000 0.830 21 A HN 0.111 nan 8.150 nan 0.000 0.443 22 L N -0.463 120.697 121.223 -0.104 0.000 2.056 22 L HA -0.140 4.201 4.340 0.002 0.000 0.207 22 L C 2.492 179.249 176.870 -0.188 0.000 1.078 22 L CA 0.924 55.659 54.840 -0.175 0.000 0.749 22 L CB -0.539 41.379 42.059 -0.236 0.000 0.901 22 L HN 0.223 nan 8.230 nan 0.000 0.433 23 V N 0.015 119.797 119.914 -0.220 0.000 2.343 23 V HA -0.287 3.834 4.120 0.002 0.000 0.247 23 V C 2.393 178.557 176.094 0.118 0.000 1.051 23 V CA 1.728 63.951 62.300 -0.128 0.000 1.036 23 V CB -0.376 31.371 31.823 -0.127 0.000 0.654 23 V HN 0.342 nan 8.190 nan 0.000 0.451 24 L N 0.062 121.351 121.223 0.110 0.000 2.017 24 L HA -0.149 4.193 4.340 0.002 0.000 0.208 24 L C 2.181 179.114 176.870 0.105 0.000 1.073 24 L CA 1.993 56.931 54.840 0.163 0.000 0.745 24 L CB -0.488 41.653 42.059 0.138 0.000 0.894 24 L HN 0.224 nan 8.230 nan 0.000 0.432 25 I N -0.260 120.326 120.570 0.027 0.000 2.226 25 I HA -0.299 3.872 4.170 0.002 0.000 0.245 25 I C 2.637 178.735 176.117 -0.032 0.000 1.100 25 I CA 1.154 62.445 61.300 -0.015 0.000 1.374 25 I CB -0.725 37.242 38.000 -0.055 0.000 1.057 25 I HN 0.406 nan 8.210 nan 0.000 0.413 26 A N 0.870 123.645 122.820 -0.075 0.000 1.883 26 A HA -0.224 4.097 4.320 0.002 0.000 0.217 26 A C 2.083 179.701 177.584 0.058 0.000 1.186 26 A CA 1.726 53.688 52.037 -0.124 0.000 0.624 26 A CB -1.005 17.764 19.000 -0.386 0.000 0.822 26 A HN 0.333 nan 8.150 nan 0.000 0.444 27 F N -0.021 120.052 119.950 0.205 0.000 2.234 27 F HA 0.015 4.543 4.527 0.003 0.000 0.299 27 F C 2.726 178.574 175.800 0.079 0.000 1.087 27 F CA 0.739 58.882 58.000 0.239 0.000 1.340 27 F CB -0.479 38.666 39.000 0.241 0.000 1.031 27 F HN 0.251 nan 8.300 nan 0.000 0.500 28 A N -0.635 122.197 122.820 0.019 0.000 2.015 28 A HA -0.181 4.141 4.320 0.002 0.000 0.219 28 A C 2.070 179.623 177.584 -0.053 0.000 1.163 28 A CA 1.226 53.168 52.037 -0.157 0.000 0.646 28 A CB -0.613 18.294 19.000 -0.155 0.000 0.806 28 A HN 0.452 nan 8.150 nan 0.000 0.448 29 Q N -2.122 117.660 119.800 -0.031 0.000 2.311 29 Q HA -0.092 4.249 4.340 0.002 0.000 0.203 29 Q C 1.334 177.196 176.000 -0.230 0.000 0.954 29 Q CA 1.286 56.989 55.803 -0.166 0.000 0.885 29 Q CB -0.100 28.485 28.738 -0.254 0.000 0.963 29 Q HN 0.882 nan 8.270 nan 0.000 0.471 30 Y N -0.517 119.756 120.300 -0.046 0.000 2.265 30 Y HA 0.029 4.581 4.550 0.003 0.000 0.290 30 Y C 0.706 176.526 175.900 -0.133 0.000 1.137 30 Y CA -0.120 57.934 58.100 -0.078 0.000 1.147 30 Y CB 0.331 38.752 38.460 -0.066 0.000 1.104 30 Y HN -0.049 nan 8.280 nan 0.000 0.514 31 L N 2.237 123.551 121.223 0.152 0.000 2.533 31 L HA 0.068 4.409 4.340 0.002 0.000 0.239 31 L C 0.978 178.029 176.870 0.301 0.000 1.376 31 L CA 0.573 55.473 54.840 0.100 0.000 1.240 31 L CB -0.674 41.560 42.059 0.293 0.000 1.487 31 L HN 0.294 nan 8.230 nan 0.000 0.419 32 Q N -0.321 119.586 119.800 0.177 0.000 2.439 32 Q HA -0.142 4.199 4.340 0.002 0.000 0.211 32 Q C 1.148 177.298 176.000 0.252 0.000 0.978 32 Q CA 0.948 56.845 55.803 0.156 0.000 0.897 32 Q CB 0.152 28.927 28.738 0.061 0.000 0.956 32 Q HN 0.588 nan 8.270 nan 0.000 0.483 33 Q N -1.183 118.876 119.800 0.431 0.000 2.281 33 Q HA 0.109 4.451 4.340 0.002 0.000 0.215 33 Q C 0.152 176.312 176.000 0.266 0.000 0.867 33 Q CA 0.078 56.060 55.803 0.297 0.000 0.940 33 Q CB 0.846 29.679 28.738 0.158 0.000 1.111 33 Q HN 0.282 nan 8.270 nan 0.000 0.513 34 C N 3.919 123.441 119.300 0.371 0.000 2.605 34 C HA 0.315 4.776 4.460 0.002 0.000 0.404 34 C C -1.597 173.512 174.990 0.198 0.000 1.284 34 C CA -1.039 58.081 59.018 0.169 0.000 2.199 34 C CB 0.584 28.311 27.740 -0.022 0.000 2.647 34 C HN 0.279 nan 8.230 nan 0.000 0.604 35 P HA -0.029 nan 4.420 nan 0.000 0.271 35 P C 0.523 177.758 177.300 -0.107 0.000 1.233 35 P CA 0.073 63.200 63.100 0.045 0.000 0.789 35 P CB 0.396 32.084 31.700 -0.020 0.000 0.951 36 F N 1.752 121.445 119.950 -0.429 0.000 2.134 36 F HA -0.172 4.357 4.527 0.002 0.000 0.299 36 F C 1.801 177.386 175.800 -0.357 0.000 1.097 36 F CA 1.832 59.374 58.000 -0.762 0.000 1.264 36 F CB -0.738 37.828 39.000 -0.722 0.000 1.001 36 F HN 0.229 nan 8.300 nan 0.000 0.479 37 E N 0.197 120.154 120.200 -0.405 0.000 2.333 37 E HA -0.167 4.184 4.350 0.002 0.000 0.198 37 E C 1.579 177.949 176.600 -0.383 0.000 1.007 37 E CA 1.365 57.516 56.400 -0.414 0.000 0.845 37 E CB -0.476 29.111 29.700 -0.189 0.000 0.766 37 E HN 0.475 nan 8.360 nan 0.000 0.507 38 D N -0.892 119.283 120.400 -0.375 0.000 2.194 38 D HA -0.066 4.576 4.640 0.002 0.000 0.204 38 D C 1.505 177.521 176.300 -0.474 0.000 0.964 38 D CA 0.811 54.580 54.000 -0.386 0.000 0.846 38 D CB 0.095 40.666 40.800 -0.382 0.000 0.962 38 D HN 0.274 nan 8.370 nan 0.000 0.490 39 H N -0.407 118.465 119.070 -0.331 0.000 2.372 39 H HA 0.060 4.617 4.556 0.003 0.000 0.301 39 H C 2.212 177.344 175.328 -0.326 0.000 1.065 39 H CA 0.530 56.408 56.048 -0.283 0.000 1.364 39 H CB -0.275 29.387 29.762 -0.167 0.000 1.406 39 H HN 0.020 nan 8.280 nan 0.000 0.521 40 V N 1.526 121.204 119.914 -0.393 0.000 2.380 40 V HA -0.268 3.854 4.120 0.002 0.000 0.251 40 V C 2.600 178.566 176.094 -0.214 0.000 1.063 40 V CA 1.925 64.015 62.300 -0.349 0.000 1.055 40 V CB -0.412 31.098 31.823 -0.522 0.000 0.657 40 V HN 0.325 nan 8.190 nan 0.000 0.455 41 K N -0.142 120.116 120.400 -0.237 0.000 2.025 41 K HA -0.148 4.174 4.320 0.002 0.000 0.207 41 K C 2.152 178.651 176.600 -0.168 0.000 1.049 41 K CA 1.514 57.692 56.287 -0.183 0.000 0.933 41 K CB -0.212 32.171 32.500 -0.195 0.000 0.714 41 K HN 0.382 nan 8.250 nan 0.000 0.438 42 L N 0.627 121.706 121.223 -0.239 0.000 2.012 42 L HA -0.216 4.126 4.340 0.002 0.000 0.210 42 L C 2.387 179.170 176.870 -0.145 0.000 1.073 42 L CA 0.990 55.650 54.840 -0.301 0.000 0.748 42 L CB -0.495 41.193 42.059 -0.619 0.000 0.891 42 L HN 0.039 nan 8.230 nan 0.000 0.431 43 V N 0.301 120.177 119.914 -0.063 0.000 2.231 43 V HA -0.347 3.775 4.120 0.002 0.000 0.248 43 V C 2.291 178.452 176.094 0.112 0.000 1.054 43 V CA 2.239 64.587 62.300 0.080 0.000 1.015 43 V CB -0.826 31.046 31.823 0.082 0.000 0.638 43 V HN 0.521 nan 8.190 nan 0.000 0.444 44 N N -0.034 118.695 118.700 0.048 0.000 2.094 44 N HA -0.237 4.505 4.740 0.002 0.000 0.191 44 N C 1.906 177.457 175.510 0.068 0.000 1.023 44 N CA 1.823 54.907 53.050 0.058 0.000 0.857 44 N CB -0.404 38.088 38.487 0.007 0.000 1.013 44 N HN 0.629 nan 8.380 nan 0.000 0.426 45 E N 0.341 120.557 120.200 0.028 0.000 2.085 45 E HA -0.112 4.240 4.350 0.002 0.000 0.194 45 E C 1.792 178.459 176.600 0.112 0.000 0.994 45 E CA 0.823 57.241 56.400 0.029 0.000 0.801 45 E CB 0.187 29.861 29.700 -0.044 0.000 0.743 45 E HN 0.059 nan 8.360 nan 0.000 0.453 46 V N 0.014 120.031 119.914 0.172 0.000 2.591 46 V HA -0.153 3.969 4.120 0.002 0.000 0.249 46 V C 2.118 178.470 176.094 0.429 0.000 1.053 46 V CA 1.798 64.295 62.300 0.328 0.000 1.068 46 V CB -0.161 31.890 31.823 0.380 0.000 0.689 46 V HN 0.325 nan 8.190 nan 0.000 0.462 47 T N -0.644 114.128 114.554 0.364 0.000 2.857 47 T HA -0.154 4.198 4.350 0.002 0.000 0.266 47 T C 1.868 176.592 174.700 0.041 0.000 1.048 47 T CA 1.377 63.639 62.100 0.270 0.000 1.139 47 T CB -0.075 68.962 68.868 0.281 0.000 0.874 47 T HN 0.356 nan 8.240 nan 0.000 0.455 48 E N 0.864 121.112 120.200 0.079 0.000 2.038 48 E HA -0.088 4.264 4.350 0.002 0.000 0.195 48 E C 1.675 178.279 176.600 0.008 0.000 1.000 48 E CA 0.983 57.396 56.400 0.021 0.000 0.803 48 E CB -0.548 29.183 29.700 0.051 0.000 0.750 48 E HN 0.451 nan 8.360 nan 0.000 0.448 49 F N 0.846 120.772 119.950 -0.039 0.000 2.065 49 F HA -0.256 4.273 4.527 0.002 0.000 0.298 49 F C 2.051 177.782 175.800 -0.115 0.000 1.112 49 F CA 1.947 59.922 58.000 -0.041 0.000 1.212 49 F CB -0.945 38.070 39.000 0.025 0.000 0.975 49 F HN 0.070 nan 8.300 nan 0.000 0.476 50 A N 0.510 123.184 122.820 -0.243 0.000 1.884 50 A HA -0.308 4.013 4.320 0.002 0.000 0.219 50 A C 2.284 179.367 177.584 -0.836 0.000 1.197 50 A CA 2.451 54.144 52.037 -0.574 0.000 0.637 50 A CB -0.948 17.644 19.000 -0.679 0.000 0.827 50 A HN 0.533 nan 8.150 nan 0.000 0.450 51 K N -1.285 118.638 120.400 -0.796 0.000 2.147 51 K HA -0.102 4.219 4.320 0.002 0.000 0.205 51 K C 2.059 178.406 176.600 -0.421 0.000 1.049 51 K CA 1.585 57.475 56.287 -0.661 0.000 0.936 51 K CB -0.419 31.822 32.500 -0.431 0.000 0.722 51 K HN 0.478 nan 8.250 nan 0.000 0.446 52 T N 0.595 114.927 114.554 -0.369 0.000 2.833 52 T HA -0.148 4.203 4.350 0.002 0.000 0.269 52 T C 1.939 176.448 174.700 -0.319 0.000 1.054 52 T CA 1.112 63.043 62.100 -0.281 0.000 1.135 52 T CB -0.212 68.524 68.868 -0.219 0.000 0.869 52 T HN 0.340 nan 8.240 nan 0.000 0.466 53 c N 0.436 118.758 118.600 -0.463 0.000 2.485 53 c HA 0.150 4.721 4.570 0.002 0.000 0.278 53 c C 2.746 176.682 174.090 -0.257 0.000 1.356 53 c CA -0.283 55.822 56.329 -0.373 0.000 1.747 53 c CB -0.909 41.314 42.510 -0.477 0.000 2.001 53 c HN 0.340 nan 8.230 nan 0.000 0.501 54 V N 1.636 121.365 119.914 -0.308 0.000 2.407 54 V HA -0.198 3.924 4.120 0.002 0.000 0.248 54 V C 2.680 178.690 176.094 -0.140 0.000 1.055 54 V CA 2.265 64.439 62.300 -0.210 0.000 1.049 54 V CB -1.121 30.536 31.823 -0.276 0.000 0.662 54 V HN 0.594 nan 8.190 nan 0.000 0.455 55 A N -0.277 122.448 122.820 -0.159 0.000 1.840 55 A HA -0.109 4.212 4.320 0.002 0.000 0.214 55 A C 1.286 178.821 177.584 -0.082 0.000 1.198 55 A CA 1.685 53.658 52.037 -0.106 0.000 0.608 55 A CB -0.178 18.756 19.000 -0.109 0.000 0.839 55 A HN 0.553 nan 8.150 nan 0.000 0.443 56 D N -1.846 118.498 120.400 -0.094 0.000 2.469 56 D HA 0.360 5.001 4.640 0.002 0.000 0.251 56 D C 0.299 176.556 176.300 -0.072 0.000 1.173 56 D CA -0.409 53.551 54.000 -0.066 0.000 0.882 56 D CB 1.353 42.122 40.800 -0.052 0.000 1.129 56 D HN 0.213 nan 8.370 nan 0.000 0.549 57 E N 1.413 121.584 120.200 -0.049 0.000 2.209 57 E HA -0.094 4.258 4.350 0.002 0.000 0.196 57 E C 0.674 177.262 176.600 -0.020 0.000 0.993 57 E CA 0.986 57.365 56.400 -0.035 0.000 0.819 57 E CB 0.269 29.965 29.700 -0.008 0.000 0.745 57 E HN 0.267 nan 8.360 nan 0.000 0.477 58 S N -0.077 115.614 115.700 -0.014 0.000 2.572 58 S HA 0.357 4.828 4.470 0.002 0.000 0.228 58 S C 0.187 174.788 174.600 0.003 0.000 0.963 58 S CA -0.025 58.176 58.200 0.002 0.000 0.939 58 S CB 0.661 63.864 63.200 0.005 0.000 0.804 58 S HN 0.391 nan 8.310 nan 0.000 0.480 59 A N 1.993 124.804 122.820 -0.016 0.000 2.325 59 A HA 0.362 4.684 4.320 0.002 0.000 0.260 59 A C 0.253 177.860 177.584 0.038 0.000 1.133 59 A CA -0.591 51.442 52.037 -0.008 0.000 0.801 59 A CB -0.037 18.933 19.000 -0.050 0.000 1.092 59 A HN 0.445 nan 8.150 nan 0.000 0.504 60 E N 1.098 121.340 120.200 0.069 0.000 2.529 60 E HA 0.055 4.407 4.350 0.002 0.000 0.259 60 E C 0.244 176.985 176.600 0.236 0.000 0.966 60 E CA 0.406 56.880 56.400 0.123 0.000 0.937 60 E CB -0.296 29.475 29.700 0.119 0.000 0.923 60 E HN 0.513 nan 8.360 nan 0.000 0.468 61 N N 1.184 120.000 118.700 0.194 0.000 2.758 61 N HA -0.309 4.433 4.740 0.002 0.000 0.245 61 N C 0.352 176.073 175.510 0.352 0.000 1.059 61 N CA 1.386 54.581 53.050 0.241 0.000 0.900 61 N CB -1.998 36.605 38.487 0.192 0.000 1.145 61 N HN 0.657 nan 8.380 nan 0.000 0.590 62 c N 1.525 120.283 118.600 0.262 0.000 2.409 62 c HA -0.111 4.461 4.570 0.002 0.000 0.288 62 c C 2.211 176.384 174.090 0.140 0.000 1.395 62 c CA 0.916 57.332 56.329 0.146 0.000 1.792 62 c CB -0.942 41.545 42.510 -0.038 0.000 1.847 62 c HN 0.570 nan 8.230 nan 0.000 0.534 63 D N 0.266 120.744 120.400 0.130 0.000 2.249 63 D HA -0.055 4.586 4.640 0.002 0.000 0.205 63 D C 0.471 176.844 176.300 0.121 0.000 0.962 63 D CA 0.479 54.542 54.000 0.105 0.000 0.860 63 D CB -0.244 40.603 40.800 0.079 0.000 0.955 63 D HN 0.320 nan 8.370 nan 0.000 0.505 64 K N 1.881 122.367 120.400 0.143 0.000 2.494 64 K HA 0.035 4.356 4.320 0.002 0.000 0.273 64 K C 0.886 177.574 176.600 0.147 0.000 0.970 64 K CA 0.061 56.427 56.287 0.133 0.000 0.963 64 K CB 0.595 33.172 32.500 0.128 0.000 0.913 64 K HN 0.256 nan 8.250 nan 0.000 0.502 65 S N 1.087 116.866 115.700 0.132 0.000 2.614 65 S HA 0.169 4.641 4.470 0.002 0.000 0.265 65 S C 1.582 176.263 174.600 0.135 0.000 1.303 65 S CA -0.708 57.571 58.200 0.131 0.000 1.000 65 S CB 0.554 63.834 63.200 0.133 0.000 0.935 65 S HN 0.512 nan 8.310 nan 0.000 0.551 66 L N 0.502 121.779 121.223 0.089 0.000 2.083 66 L HA -0.112 4.229 4.340 0.002 0.000 0.209 66 L C 2.569 179.474 176.870 0.059 0.000 1.083 66 L CA 1.626 56.497 54.840 0.053 0.000 0.752 66 L CB -0.737 41.291 42.059 -0.053 0.000 0.899 66 L HN 0.844 nan 8.230 nan 0.000 0.433 67 H N -1.215 117.920 119.070 0.109 0.000 2.357 67 H HA -0.138 4.420 4.556 0.002 0.000 0.301 67 H C 2.312 177.736 175.328 0.159 0.000 1.082 67 H CA 1.748 57.875 56.048 0.132 0.000 1.342 67 H CB 0.105 29.935 29.762 0.114 0.000 1.389 67 H HN 0.241 nan 8.280 nan 0.000 0.511 68 T N 0.895 115.597 114.554 0.248 0.000 2.674 68 T HA -0.142 4.210 4.350 0.002 0.000 0.265 68 T C 2.168 176.943 174.700 0.125 0.000 1.039 68 T CA 1.117 63.317 62.100 0.167 0.000 1.150 68 T CB -0.384 68.560 68.868 0.126 0.000 0.864 68 T HN 0.170 nan 8.240 nan 0.000 0.427 69 L N -0.046 121.250 121.223 0.121 0.000 1.990 69 L HA -0.126 4.216 4.340 0.002 0.000 0.213 69 L C 2.345 179.266 176.870 0.085 0.000 1.072 69 L CA 1.645 56.524 54.840 0.064 0.000 0.755 69 L CB -0.678 41.439 42.059 0.096 0.000 0.889 69 L HN 0.175 nan 8.230 nan 0.000 0.432 70 F N 0.950 120.894 119.950 -0.010 0.000 2.126 70 F HA -0.174 4.354 4.527 0.003 0.000 0.299 70 F C 2.203 177.943 175.800 -0.099 0.000 1.096 70 F CA 1.574 59.530 58.000 -0.073 0.000 1.255 70 F CB -0.683 38.213 39.000 -0.173 0.000 0.997 70 F HN -0.006 nan 8.300 nan 0.000 0.479 71 G N -0.522 108.249 108.800 -0.048 0.000 2.408 71 G HA2 -0.232 3.730 3.960 0.002 0.000 0.217 71 G HA3 -0.232 3.730 3.960 0.002 0.000 0.217 71 G C 1.350 176.184 174.900 -0.110 0.000 1.150 71 G CA 0.964 46.008 45.100 -0.092 0.000 0.776 71 G HN 0.330 nan 8.290 nan 0.000 0.542 72 D N 0.628 120.990 120.400 -0.065 0.000 2.097 72 D HA -0.044 4.598 4.640 0.002 0.000 0.197 72 D C 2.375 178.602 176.300 -0.123 0.000 0.984 72 D CA 0.648 54.608 54.000 -0.068 0.000 0.826 72 D CB -0.121 40.643 40.800 -0.059 0.000 0.973 72 D HN 0.053 nan 8.370 nan 0.000 0.460 73 K N 0.396 120.707 120.400 -0.149 0.000 2.147 73 K HA -0.083 4.238 4.320 0.002 0.000 0.205 73 K C 2.086 178.552 176.600 -0.224 0.000 1.049 73 K CA 0.218 56.406 56.287 -0.165 0.000 0.936 73 K CB -0.437 32.013 32.500 -0.085 0.000 0.722 73 K HN 0.123 nan 8.250 nan 0.000 0.446 74 L N 0.515 121.545 121.223 -0.322 0.000 2.027 74 L HA -0.152 4.190 4.340 0.002 0.000 0.206 74 L C 2.111 178.841 176.870 -0.233 0.000 1.074 74 L CA 1.466 56.066 54.840 -0.399 0.000 0.745 74 L CB -0.606 40.942 42.059 -0.852 0.000 0.898 74 L HN 0.094 nan 8.230 nan 0.000 0.433 75 c N -0.752 117.760 118.600 -0.148 0.000 2.511 75 c HA -0.027 4.545 4.570 0.002 0.000 0.277 75 c C 2.414 176.477 174.090 -0.044 0.000 1.451 75 c CA 0.994 57.305 56.329 -0.030 0.000 1.735 75 c CB -1.875 40.657 42.510 0.036 0.000 1.704 75 c HN 0.717 nan 8.230 nan 0.000 0.571 76 T N -2.874 111.628 114.554 -0.086 0.000 3.081 76 T HA 0.120 4.472 4.350 0.002 0.000 0.250 76 T C 0.446 175.099 174.700 -0.079 0.000 1.100 76 T CA 0.131 62.183 62.100 -0.080 0.000 1.038 76 T CB -0.296 68.512 68.868 -0.101 0.000 0.962 76 T HN 0.143 nan 8.240 nan 0.000 0.516 77 V N 2.551 122.416 119.914 -0.082 0.000 2.493 77 V HA 0.356 4.477 4.120 0.002 0.000 0.292 77 V C 1.891 177.967 176.094 -0.030 0.000 1.016 77 V CA 0.188 62.450 62.300 -0.064 0.000 1.097 77 V CB -0.162 31.642 31.823 -0.033 0.000 0.947 77 V HN 0.586 nan 8.190 nan 0.000 0.479 78 A N 4.727 127.523 122.820 -0.040 0.000 1.873 78 A HA -0.108 4.213 4.320 0.002 0.000 0.215 78 A C 2.069 179.642 177.584 -0.019 0.000 1.186 78 A CA 1.916 53.934 52.037 -0.031 0.000 0.616 78 A CB -0.557 18.419 19.000 -0.041 0.000 0.823 78 A HN 0.947 nan 8.150 nan 0.000 0.442 79 T N -2.319 112.221 114.554 -0.022 0.000 3.272 79 T HA 0.209 4.560 4.350 0.002 0.000 0.250 79 T C 1.333 176.032 174.700 -0.003 0.000 1.082 79 T CA 0.504 62.587 62.100 -0.029 0.000 0.968 79 T CB -0.239 68.594 68.868 -0.057 0.000 1.015 79 T HN 0.099 nan 8.240 nan 0.000 0.563 80 L N 2.110 123.368 121.223 0.058 0.000 1.963 80 L HA -0.076 4.266 4.340 0.002 0.000 0.220 80 L C 2.787 179.740 176.870 0.138 0.000 1.076 80 L CA 2.082 57.026 54.840 0.173 0.000 0.772 80 L CB -0.668 41.473 42.059 0.136 0.000 0.892 80 L HN 0.327 nan 8.230 nan 0.000 0.435 81 R N -0.862 119.678 120.500 0.067 0.000 2.105 81 R HA -0.197 4.144 4.340 0.002 0.000 0.239 81 R C 2.324 178.625 176.300 0.001 0.000 1.135 81 R CA 1.717 57.840 56.100 0.039 0.000 0.967 81 R CB -0.381 29.930 30.300 0.018 0.000 0.861 81 R HN 0.566 nan 8.270 nan 0.000 0.442 82 E N -0.722 119.462 120.200 -0.026 0.000 2.158 82 E HA -0.097 4.254 4.350 0.002 0.000 0.191 82 E C 0.999 177.531 176.600 -0.114 0.000 0.982 82 E CA 1.571 57.937 56.400 -0.057 0.000 0.823 82 E CB 0.229 29.895 29.700 -0.055 0.000 0.766 82 E HN 0.412 nan 8.360 nan 0.000 0.468 83 T N -0.682 113.753 114.554 -0.198 0.000 2.939 83 T HA -0.019 4.332 4.350 0.002 0.000 0.254 83 T C 0.986 175.347 174.700 -0.564 0.000 1.041 83 T CA 0.810 62.645 62.100 -0.442 0.000 1.142 83 T CB -0.147 68.290 68.868 -0.718 0.000 0.874 83 T HN 0.208 nan 8.240 nan 0.000 0.452 84 Y N 0.539 120.850 120.300 0.018 0.000 2.430 84 Y HA 0.443 4.995 4.550 0.002 0.000 0.248 84 Y C 2.010 177.913 175.900 0.006 0.000 1.108 84 Y CA -0.421 57.695 58.100 0.027 0.000 1.264 84 Y CB -0.279 38.212 38.460 0.051 0.000 1.172 84 Y HN 0.327 nan 8.280 nan 0.000 0.520 85 G N 1.499 110.353 108.800 0.090 0.000 2.686 85 G HA2 -0.564 3.397 3.960 0.002 0.000 0.329 85 G HA3 -0.564 3.397 3.960 0.002 0.000 0.329 85 G C 1.345 176.255 174.900 0.017 0.000 1.187 85 G CA 1.129 46.253 45.100 0.040 0.000 0.965 85 G HN 0.419 nan 8.290 nan 0.000 0.549 86 E N 0.270 120.457 120.200 -0.022 0.000 2.208 86 E HA -0.210 4.141 4.350 0.002 0.000 0.202 86 E C 2.510 178.950 176.600 -0.267 0.000 1.014 86 E CA 2.139 58.468 56.400 -0.119 0.000 0.819 86 E CB -0.222 29.412 29.700 -0.110 0.000 0.735 86 E HN 0.602 nan 8.360 nan 0.000 0.469 87 M N -0.154 119.324 119.600 -0.204 0.000 2.229 87 M HA -0.117 4.364 4.480 0.002 0.000 0.264 87 M C 2.171 178.463 176.300 -0.014 0.000 1.063 87 M CA 1.554 56.750 55.300 -0.174 0.000 1.114 87 M CB -0.084 32.556 32.600 0.067 0.000 1.387 87 M HN 0.283 nan 8.290 nan 0.000 0.420 88 A N 0.439 123.281 122.820 0.037 0.000 2.024 88 A HA -0.209 4.112 4.320 0.002 0.000 0.220 88 A C 1.561 179.148 177.584 0.004 0.000 1.164 88 A CA 2.013 54.085 52.037 0.059 0.000 0.643 88 A CB -0.853 18.179 19.000 0.054 0.000 0.806 88 A HN 0.584 nan 8.150 nan 0.000 0.451 89 D N -0.552 119.818 120.400 -0.050 0.000 2.264 89 D HA -0.102 4.540 4.640 0.002 0.000 0.208 89 D C 1.802 178.046 176.300 -0.093 0.000 0.966 89 D CA 1.046 55.009 54.000 -0.062 0.000 0.864 89 D CB -0.441 40.317 40.800 -0.070 0.000 0.933 89 D HN 0.485 nan 8.370 nan 0.000 0.499 90 c N 0.387 118.894 118.600 -0.156 0.000 2.422 90 c HA -0.128 4.443 4.570 0.002 0.000 0.279 90 c C 2.903 176.847 174.090 -0.243 0.000 1.305 90 c CA 0.030 56.171 56.329 -0.313 0.000 1.757 90 c CB -1.005 41.072 42.510 -0.721 0.000 1.962 90 c HN 0.458 nan 8.230 nan 0.000 0.499 91 c N 0.865 119.425 118.600 -0.065 0.000 2.437 91 c HA 0.004 4.575 4.570 0.002 0.000 0.283 91 c C 2.936 177.024 174.090 -0.004 0.000 1.424 91 c CA 1.000 57.347 56.329 0.030 0.000 1.782 91 c CB -1.603 40.956 42.510 0.082 0.000 1.833 91 c HN 0.723 nan 8.230 nan 0.000 0.532 92 A N 1.100 123.904 122.820 -0.028 0.000 1.970 92 A HA -0.044 4.278 4.320 0.002 0.000 0.216 92 A C 1.213 178.781 177.584 -0.026 0.000 1.170 92 A CA 0.743 52.767 52.037 -0.021 0.000 0.645 92 A CB -0.254 18.733 19.000 -0.023 0.000 0.816 92 A HN 0.794 nan 8.150 nan 0.000 0.447 93 K N -0.395 119.977 120.400 -0.047 0.000 2.098 93 K HA 0.518 4.839 4.320 0.002 0.000 0.244 93 K C -0.778 175.803 176.600 -0.030 0.000 1.014 93 K CA -0.657 55.605 56.287 -0.042 0.000 0.917 93 K CB 0.523 32.988 32.500 -0.059 0.000 1.072 93 K HN 0.063 nan 8.250 nan 0.000 0.477 94 Q N 0.583 120.374 119.800 -0.016 0.000 2.195 94 Q HA 0.223 4.565 4.340 0.002 0.000 0.250 94 Q C -0.738 175.264 176.000 0.004 0.000 0.988 94 Q CA -0.526 55.279 55.803 0.002 0.000 0.911 94 Q CB 1.155 29.899 28.738 0.010 0.000 1.258 94 Q HN 0.432 nan 8.270 nan 0.000 0.475 95 E N 1.068 121.284 120.200 0.026 0.000 2.383 95 E HA 0.084 4.436 4.350 0.002 0.000 0.264 95 E C -1.564 175.048 176.600 0.020 0.000 1.050 95 E CA -1.238 55.180 56.400 0.030 0.000 0.896 95 E CB 0.206 29.945 29.700 0.065 0.000 0.982 95 E HN 0.421 nan 8.360 nan 0.000 0.424 96 P HA 0.050 nan 4.420 nan 0.000 0.245 96 P C 1.008 178.295 177.300 -0.022 0.000 1.206 96 P CA 0.289 63.383 63.100 -0.011 0.000 0.781 96 P CB 0.436 32.129 31.700 -0.011 0.000 0.994 97 E N 0.319 120.506 120.200 -0.021 0.000 2.118 97 E HA -0.245 4.106 4.350 0.002 0.000 0.195 97 E C 2.150 178.699 176.600 -0.084 0.000 0.992 97 E CA 0.859 57.236 56.400 -0.038 0.000 0.804 97 E CB -0.018 29.662 29.700 -0.033 0.000 0.741 97 E HN 0.115 nan 8.360 nan 0.000 0.458 98 R N 0.677 121.121 120.500 -0.094 0.000 2.073 98 R HA -0.162 4.179 4.340 0.002 0.000 0.234 98 R C 2.312 178.459 176.300 -0.255 0.000 1.134 98 R CA 1.691 57.663 56.100 -0.213 0.000 0.952 98 R CB -0.294 29.956 30.300 -0.083 0.000 0.850 98 R HN 0.178 nan 8.270 nan 0.000 0.433 99 N N 0.293 118.994 118.700 0.001 0.000 2.120 99 N HA -0.222 4.519 4.740 0.002 0.000 0.188 99 N C 1.621 177.184 175.510 0.088 0.000 1.024 99 N CA 1.536 54.674 53.050 0.147 0.000 0.852 99 N CB -0.003 38.473 38.487 -0.018 0.000 1.003 99 N HN 0.210 nan 8.380 nan 0.000 0.424 100 E N 0.747 120.950 120.200 0.004 0.000 2.160 100 E HA -0.132 4.220 4.350 0.002 0.000 0.195 100 E C 2.153 178.753 176.600 0.001 0.000 0.991 100 E CA 0.755 57.167 56.400 0.021 0.000 0.810 100 E CB -0.692 29.024 29.700 0.026 0.000 0.742 100 E HN 0.396 nan 8.360 nan 0.000 0.466 101 c N -0.543 118.010 118.600 -0.077 0.000 2.450 101 c HA -0.026 4.545 4.570 0.002 0.000 0.279 101 c C 2.218 176.337 174.090 0.048 0.000 1.335 101 c CA 0.438 56.723 56.329 -0.074 0.000 1.749 101 c CB -1.445 40.938 42.510 -0.211 0.000 1.963 101 c HN 0.454 nan 8.230 nan 0.000 0.501 102 F N 0.235 120.300 119.950 0.192 0.000 2.259 102 F HA 0.038 4.567 4.527 0.002 0.000 0.298 102 F C 2.078 178.047 175.800 0.281 0.000 1.088 102 F CA 0.740 58.899 58.000 0.265 0.000 1.358 102 F CB -1.008 38.122 39.000 0.216 0.000 1.040 102 F HN 0.089 nan 8.300 nan 0.000 0.505 103 L N 0.346 121.775 121.223 0.344 0.000 1.989 103 L HA -0.229 4.112 4.340 0.002 0.000 0.211 103 L C 2.359 179.261 176.870 0.054 0.000 1.071 103 L CA 1.841 56.770 54.840 0.149 0.000 0.749 103 L CB -1.521 40.531 42.059 -0.011 0.000 0.890 103 L HN 0.245 nan 8.230 nan 0.000 0.431 104 Q N -1.349 118.429 119.800 -0.037 0.000 2.234 104 Q HA -0.191 4.151 4.340 0.002 0.000 0.206 104 Q C 1.037 176.847 176.000 -0.316 0.000 0.980 104 Q CA 1.191 56.872 55.803 -0.203 0.000 0.869 104 Q CB -0.200 28.329 28.738 -0.349 0.000 0.912 104 Q HN 0.636 nan 8.270 nan 0.000 0.436 105 H N -0.016 119.118 119.070 0.108 0.000 2.505 105 H HA 0.203 4.761 4.556 0.003 0.000 0.289 105 H C -0.133 175.250 175.328 0.092 0.000 1.052 105 H CA 0.015 56.128 56.048 0.108 0.000 1.156 105 H CB 0.258 30.096 29.762 0.128 0.000 1.507 105 H HN 0.062 nan 8.280 nan 0.000 0.548 106 K N 2.307 122.766 120.400 0.099 0.000 2.273 106 K HA 0.020 4.342 4.320 0.002 0.000 0.287 106 K C -0.723 175.874 176.600 -0.004 0.000 1.089 106 K CA -0.468 55.794 56.287 -0.041 0.000 0.909 106 K CB 0.304 32.642 32.500 -0.270 0.000 1.123 106 K HN -0.021 nan 8.250 nan 0.000 0.473 107 D N 3.693 124.103 120.400 0.017 0.000 2.363 107 D HA -0.068 4.573 4.640 0.002 0.000 0.263 107 D C 0.793 177.114 176.300 0.035 0.000 1.258 107 D CA 0.372 54.401 54.000 0.048 0.000 0.907 107 D CB 0.936 41.771 40.800 0.058 0.000 1.107 107 D HN 0.619 nan 8.370 nan 0.000 0.495 108 D N 3.203 123.678 120.400 0.126 0.000 2.104 108 D HA -0.192 4.449 4.640 0.002 0.000 0.194 108 D C 0.022 176.377 176.300 0.091 0.000 0.994 108 D CA 1.020 55.139 54.000 0.198 0.000 0.830 108 D CB 0.186 41.122 40.800 0.227 0.000 0.959 108 D HN 0.300 nan 8.370 nan 0.000 0.452 109 N N -0.382 118.349 118.700 0.052 0.000 2.609 109 N HA 0.206 4.947 4.740 0.002 0.000 0.268 109 N C -2.840 172.671 175.510 0.001 0.000 1.106 109 N CA -1.278 51.779 53.050 0.011 0.000 0.823 109 N CB 1.699 40.200 38.487 0.024 0.000 1.263 109 N HN 0.052 nan 8.380 nan 0.000 0.533 110 P HA 0.265 nan 4.420 nan 0.000 0.282 110 P C 0.588 177.880 177.300 -0.014 0.000 1.287 110 P CA -0.308 62.789 63.100 -0.006 0.000 0.792 110 P CB 1.469 33.165 31.700 -0.007 0.000 1.163 111 N N -0.202 118.497 118.700 -0.002 0.000 2.025 111 N HA -0.089 4.653 4.740 0.002 0.000 0.194 111 N C 0.666 176.166 175.510 -0.018 0.000 1.044 111 N CA 0.628 53.676 53.050 -0.005 0.000 0.851 111 N CB -0.999 37.489 38.487 0.003 0.000 1.036 111 N HN 0.392 nan 8.380 nan 0.000 0.422 112 L N 2.116 123.325 121.223 -0.023 0.000 4.422 112 L HA -0.170 4.171 4.340 0.002 0.000 0.545 112 L C -1.992 174.856 176.870 -0.037 0.000 1.042 112 L CA -0.589 54.228 54.840 -0.038 0.000 0.533 112 L CB -0.935 41.080 42.059 -0.072 0.000 0.674 112 L HN 0.101 nan 8.230 nan 0.000 1.072 113 P HA 0.071 nan 4.420 nan 0.000 0.268 113 P C -0.678 176.608 177.300 -0.024 0.000 1.208 113 P CA -0.437 62.652 63.100 -0.018 0.000 0.777 113 P CB 0.442 32.136 31.700 -0.011 0.000 0.875 114 R N 2.150 122.642 120.500 -0.013 0.000 2.489 114 R HA 0.228 4.569 4.340 0.002 0.000 0.287 114 R C -0.515 175.785 176.300 -0.001 0.000 1.053 114 R CA -0.410 55.685 56.100 -0.009 0.000 1.036 114 R CB -0.254 30.047 30.300 0.002 0.000 0.966 114 R HN 0.208 nan 8.270 nan 0.000 0.432 115 L N 4.961 126.184 121.223 -0.000 0.000 2.410 115 L HA 0.148 4.489 4.340 0.002 0.000 0.273 115 L C -0.313 176.582 176.870 0.041 0.000 1.144 115 L CA 0.058 54.912 54.840 0.024 0.000 0.863 115 L CB 1.280 43.357 42.059 0.030 0.000 1.140 115 L HN 0.672 nan 8.230 nan 0.000 0.463 116 V N 3.292 123.240 119.914 0.058 0.000 2.630 116 V HA 0.602 4.723 4.120 0.002 0.000 0.305 116 V C 0.081 176.228 176.094 0.089 0.000 1.046 116 V CA -1.084 61.252 62.300 0.060 0.000 0.934 116 V CB 1.493 33.346 31.823 0.049 0.000 1.003 116 V HN 0.811 nan 8.190 nan 0.000 0.451 117 R N 4.690 125.235 120.500 0.075 0.000 2.216 117 R HA 0.477 4.819 4.340 0.002 0.000 0.332 117 R C -2.159 174.203 176.300 0.104 0.000 1.056 117 R CA -1.288 54.865 56.100 0.089 0.000 0.901 117 R CB 0.875 31.215 30.300 0.068 0.000 1.039 117 R HN 0.835 nan 8.270 nan 0.000 0.456 118 P HA 0.124 nan 4.420 nan 0.000 0.277 118 P C -0.883 176.493 177.300 0.126 0.000 1.271 118 P CA -0.498 62.680 63.100 0.131 0.000 0.795 118 P CB 0.658 32.456 31.700 0.163 0.000 1.101 119 E N 0.034 120.296 120.200 0.104 0.000 2.452 119 E HA -0.015 4.336 4.350 0.002 0.000 0.261 119 E C 1.489 178.158 176.600 0.115 0.000 0.987 119 E CA 0.040 56.495 56.400 0.092 0.000 0.926 119 E CB 0.594 30.336 29.700 0.070 0.000 0.934 119 E HN 0.103 nan 8.360 nan 0.000 0.452 120 V N 3.540 123.518 119.914 0.105 0.000 2.370 120 V HA -0.327 3.794 4.120 0.002 0.000 0.252 120 V C 1.562 177.726 176.094 0.117 0.000 1.068 120 V CA 2.286 64.659 62.300 0.122 0.000 1.061 120 V CB -0.383 31.489 31.823 0.081 0.000 0.656 120 V HN 0.587 nan 8.190 nan 0.000 0.455 121 D N -0.436 120.014 120.400 0.084 0.000 2.097 121 D HA -0.142 4.500 4.640 0.002 0.000 0.197 121 D C 2.128 178.469 176.300 0.069 0.000 0.984 121 D CA 1.683 55.722 54.000 0.066 0.000 0.826 121 D CB -0.282 40.545 40.800 0.045 0.000 0.973 121 D HN 0.437 nan 8.370 nan 0.000 0.460 122 V N -0.843 119.119 119.914 0.081 0.000 2.427 122 V HA -0.169 3.952 4.120 0.002 0.000 0.248 122 V C 2.032 178.192 176.094 0.111 0.000 1.051 122 V CA 1.334 63.686 62.300 0.086 0.000 1.048 122 V CB -0.473 31.405 31.823 0.092 0.000 0.666 122 V HN 0.152 nan 8.190 nan 0.000 0.456 123 M N -0.359 119.332 119.600 0.152 0.000 2.067 123 M HA -0.169 4.313 4.480 0.002 0.000 0.260 123 M C 2.286 178.559 176.300 -0.045 0.000 1.069 123 M CA 2.804 58.215 55.300 0.184 0.000 1.117 123 M CB -0.386 32.404 32.600 0.318 0.000 1.334 123 M HN 0.555 nan 8.290 nan 0.000 0.407 124 c N -0.244 118.399 118.600 0.071 0.000 2.435 124 c HA -0.104 4.467 4.570 0.002 0.000 0.279 124 c C 2.636 176.766 174.090 0.067 0.000 1.321 124 c CA 1.492 57.880 56.329 0.099 0.000 1.752 124 c CB -1.118 41.484 42.510 0.155 0.000 1.959 124 c HN 0.606 nan 8.230 nan 0.000 0.500 125 T N 0.829 115.400 114.554 0.029 0.000 2.821 125 T HA -0.066 4.286 4.350 0.002 0.000 0.267 125 T C 2.074 176.777 174.700 0.004 0.000 1.046 125 T CA 1.464 63.569 62.100 0.010 0.000 1.139 125 T CB -0.280 68.590 68.868 0.004 0.000 0.871 125 T HN 0.627 nan 8.240 nan 0.000 0.454 126 A N 1.001 123.801 122.820 -0.033 0.000 1.930 126 A HA 0.038 4.360 4.320 0.002 0.000 0.217 126 A C 1.967 179.432 177.584 -0.198 0.000 1.175 126 A CA 1.036 53.060 52.037 -0.023 0.000 0.627 126 A CB -0.838 18.251 19.000 0.148 0.000 0.815 126 A HN 0.467 nan 8.150 nan 0.000 0.443 127 F N 0.445 119.940 119.950 -0.758 0.000 2.075 127 F HA -0.188 4.341 4.527 0.003 0.000 0.297 127 F C 2.339 177.971 175.800 -0.280 0.000 1.113 127 F CA 2.192 59.672 58.000 -0.868 0.000 1.218 127 F CB -0.645 37.736 39.000 -1.032 0.000 0.984 127 F HN 0.502 nan 8.300 nan 0.000 0.472 128 H N 0.418 119.277 119.070 -0.351 0.000 2.270 128 H HA -0.163 4.394 4.556 0.002 0.000 0.299 128 H C 1.809 176.993 175.328 -0.241 0.000 1.077 128 H CA 2.205 58.057 56.048 -0.327 0.000 1.294 128 H CB -0.724 28.964 29.762 -0.123 0.000 1.371 128 H HN 0.233 nan 8.280 nan 0.000 0.491 129 D N 0.467 120.936 120.400 0.115 0.000 2.158 129 D HA -0.171 4.471 4.640 0.002 0.000 0.197 129 D C 0.449 176.727 176.300 -0.037 0.000 0.995 129 D CA 1.348 55.395 54.000 0.078 0.000 0.846 129 D CB -0.137 40.708 40.800 0.074 0.000 0.941 129 D HN 0.298 nan 8.370 nan 0.000 0.456 130 N N -0.386 118.269 118.700 -0.073 0.000 2.805 130 N HA -0.047 4.695 4.740 0.002 0.000 0.216 130 N C 0.322 175.819 175.510 -0.022 0.000 1.447 130 N CA -0.114 52.908 53.050 -0.046 0.000 0.785 130 N CB 0.293 38.794 38.487 0.024 0.000 1.458 130 N HN -0.126 nan 8.380 nan 0.000 0.547 131 E N 0.458 120.557 120.200 -0.168 0.000 2.164 131 E HA -0.305 4.046 4.350 0.002 0.000 0.206 131 E C 0.887 177.572 176.600 0.142 0.000 1.032 131 E CA 1.553 57.879 56.400 -0.124 0.000 0.832 131 E CB 0.258 29.750 29.700 -0.346 0.000 0.742 131 E HN 0.595 nan 8.360 nan 0.000 0.460 132 E N -0.775 119.482 120.200 0.095 0.000 2.028 132 E HA -0.145 4.206 4.350 0.002 0.000 0.191 132 E C 2.231 178.935 176.600 0.173 0.000 0.988 132 E CA 1.799 58.281 56.400 0.137 0.000 0.799 132 E CB -0.118 29.641 29.700 0.097 0.000 0.755 132 E HN 0.454 nan 8.360 nan 0.000 0.447 133 T N -1.229 113.423 114.554 0.163 0.000 3.072 133 T HA -0.111 4.241 4.350 0.002 0.000 0.266 133 T C 1.659 176.399 174.700 0.066 0.000 1.127 133 T CA 0.496 62.697 62.100 0.168 0.000 1.107 133 T CB -0.364 68.610 68.868 0.177 0.000 0.910 133 T HN 0.133 nan 8.240 nan 0.000 0.513 134 F N 1.392 121.348 119.950 0.010 0.000 2.187 134 F HA 0.291 4.819 4.527 0.002 0.000 0.295 134 F C 1.823 177.661 175.800 0.063 0.000 1.091 134 F CA 0.796 58.801 58.000 0.009 0.000 1.308 134 F CB -0.138 38.900 39.000 0.064 0.000 1.030 134 F HN 0.084 nan 8.300 nan 0.000 0.487 135 L N -0.045 121.293 121.223 0.191 0.000 2.131 135 L HA -0.105 4.236 4.340 0.002 0.000 0.206 135 L C 2.416 179.312 176.870 0.043 0.000 1.087 135 L CA 0.701 55.612 54.840 0.119 0.000 0.767 135 L CB -0.632 41.586 42.059 0.265 0.000 0.917 135 L HN -0.030 nan 8.230 nan 0.000 0.441 136 K N 0.604 121.052 120.400 0.081 0.000 2.097 136 K HA -0.162 4.159 4.320 0.002 0.000 0.205 136 K C 1.980 178.575 176.600 -0.009 0.000 1.050 136 K CA 1.084 57.457 56.287 0.143 0.000 0.938 136 K CB -0.215 32.467 32.500 0.304 0.000 0.718 136 K HN 0.202 nan 8.250 nan 0.000 0.442 137 K N -0.140 119.990 120.400 -0.451 0.000 2.057 137 K HA -0.158 4.163 4.320 0.002 0.000 0.207 137 K C 2.002 178.298 176.600 -0.507 0.000 1.049 137 K CA 1.362 56.998 56.287 -1.085 0.000 0.931 137 K CB -0.088 31.699 32.500 -1.188 0.000 0.714 137 K HN 0.034 nan 8.250 nan 0.000 0.440 138 Y N 0.197 120.269 120.300 -0.381 0.000 2.337 138 Y HA -0.116 4.436 4.550 0.002 0.000 0.293 138 Y C 1.860 177.636 175.900 -0.206 0.000 1.123 138 Y CA 0.494 58.401 58.100 -0.321 0.000 1.201 138 Y CB -0.114 38.072 38.460 -0.455 0.000 1.011 138 Y HN 0.060 nan 8.280 nan 0.000 0.545 139 L N -0.725 120.513 121.223 0.024 0.000 2.079 139 L HA -0.251 4.091 4.340 0.002 0.000 0.210 139 L C 2.262 179.157 176.870 0.042 0.000 1.081 139 L CA 1.781 56.637 54.840 0.027 0.000 0.752 139 L CB -1.051 41.051 42.059 0.072 0.000 0.896 139 L HN 0.373 nan 8.230 nan 0.000 0.433 140 Y N 0.056 120.335 120.300 -0.035 0.000 2.163 140 Y HA -0.186 4.366 4.550 0.003 0.000 0.288 140 Y C 2.342 178.206 175.900 -0.059 0.000 1.136 140 Y CA 1.847 59.941 58.100 -0.010 0.000 1.147 140 Y CB -0.207 38.337 38.460 0.141 0.000 0.987 140 Y HN 0.220 nan 8.280 nan 0.000 0.509 141 E N 0.476 120.514 120.200 -0.269 0.000 2.118 141 E HA -0.172 4.180 4.350 0.002 0.000 0.195 141 E C 2.212 178.659 176.600 -0.255 0.000 0.992 141 E CA 1.349 57.548 56.400 -0.335 0.000 0.804 141 E CB -0.255 29.360 29.700 -0.142 0.000 0.741 141 E HN 0.509 nan 8.360 nan 0.000 0.458 142 I N 0.805 121.276 120.570 -0.165 0.000 2.193 142 I HA -0.114 4.058 4.170 0.002 0.000 0.240 142 I C 2.404 178.434 176.117 -0.145 0.000 1.084 142 I CA 0.964 62.181 61.300 -0.138 0.000 1.365 142 I CB -1.684 36.220 38.000 -0.160 0.000 1.064 142 I HN -0.069 nan 8.210 nan 0.000 0.410 143 A N 1.861 124.590 122.820 -0.152 0.000 1.972 143 A HA -0.206 4.115 4.320 0.002 0.000 0.219 143 A C 2.387 179.867 177.584 -0.173 0.000 1.169 143 A CA 1.659 53.620 52.037 -0.126 0.000 0.635 143 A CB -0.647 18.299 19.000 -0.090 0.000 0.810 143 A HN 0.566 nan 8.150 nan 0.000 0.446 144 R N -0.850 119.488 120.500 -0.269 0.000 2.193 144 R HA 0.050 4.392 4.340 0.002 0.000 0.213 144 R C 1.706 177.858 176.300 -0.246 0.000 1.055 144 R CA 1.106 57.049 56.100 -0.262 0.000 0.995 144 R CB -0.278 29.805 30.300 -0.362 0.000 0.893 144 R HN 0.421 nan 8.270 nan 0.000 0.459 145 R N -0.099 120.212 120.500 -0.315 0.000 2.246 145 R HA 0.084 4.425 4.340 0.002 0.000 0.199 145 R C -0.066 175.856 176.300 -0.630 0.000 0.984 145 R CA 0.599 56.429 56.100 -0.449 0.000 1.015 145 R CB 0.252 30.233 30.300 -0.532 0.000 0.930 145 R HN 0.416 nan 8.270 nan 0.000 0.475 146 H N -0.050 118.961 119.070 -0.098 0.000 2.379 146 H HA 0.144 4.701 4.556 0.002 0.000 0.229 146 H C -1.877 173.435 175.328 -0.026 0.000 1.423 146 H CA -1.611 54.422 56.048 -0.025 0.000 1.375 146 H CB 1.124 30.859 29.762 -0.045 0.000 1.592 146 H HN -0.005 nan 8.280 nan 0.000 0.507 147 P HA -0.203 nan 4.420 nan 0.000 0.226 147 P C 0.222 177.263 177.300 -0.432 0.000 1.146 147 P CA 1.295 64.217 63.100 -0.296 0.000 0.773 147 P CB 0.257 31.694 31.700 -0.438 0.000 0.772 148 Y N -2.450 117.890 120.300 0.066 0.000 2.444 148 Y HA 0.285 4.837 4.550 0.003 0.000 0.249 148 Y C 1.049 177.024 175.900 0.124 0.000 1.134 148 Y CA -0.978 57.157 58.100 0.058 0.000 1.261 148 Y CB -0.422 38.062 38.460 0.039 0.000 1.143 148 Y HN -0.207 nan 8.280 nan 0.000 0.523 149 F N 1.022 121.054 119.950 0.136 0.000 2.543 149 F HA 0.034 4.563 4.527 0.002 0.000 0.375 149 F C 0.319 176.203 175.800 0.139 0.000 1.075 149 F CA -0.911 57.165 58.000 0.126 0.000 1.225 149 F CB 0.103 39.143 39.000 0.066 0.000 1.099 149 F HN 0.022 nan 8.300 nan 0.000 0.561 150 Y N 6.743 126.943 120.300 -0.168 0.000 2.745 150 Y HA 0.167 4.718 4.550 0.003 0.000 0.335 150 Y C 1.021 176.959 175.900 0.063 0.000 1.212 150 Y CA -0.182 57.879 58.100 -0.064 0.000 1.535 150 Y CB 0.383 38.770 38.460 -0.122 0.000 1.220 150 Y HN 0.770 nan 8.280 nan 0.000 0.531 151 A N 7.680 130.328 122.820 -0.285 0.000 1.873 151 A HA -0.178 4.144 4.320 0.002 0.000 0.218 151 A C -0.265 177.073 177.584 -0.410 0.000 1.193 151 A CA 1.878 53.754 52.037 -0.268 0.000 0.629 151 A CB -1.821 17.007 19.000 -0.286 0.000 0.826 151 A HN 0.716 nan 8.150 nan 0.000 0.447 152 P HA -0.189 nan 4.420 nan 0.000 0.217 152 P C 1.380 178.202 177.300 -0.797 0.000 1.148 152 P CA 1.746 64.406 63.100 -0.734 0.000 0.834 152 P CB 0.045 31.341 31.700 -0.674 0.000 0.783 153 E N -0.563 119.487 120.200 -0.250 0.000 2.047 153 E HA -0.153 4.198 4.350 0.002 0.000 0.191 153 E C 1.749 178.619 176.600 0.450 0.000 0.987 153 E CA 0.831 57.381 56.400 0.251 0.000 0.799 153 E CB -1.218 28.735 29.700 0.422 0.000 0.752 153 E HN -0.007 nan 8.360 nan 0.000 0.449 154 L N 0.189 121.696 121.223 0.474 0.000 2.191 154 L HA -0.039 4.303 4.340 0.002 0.000 0.212 154 L C 2.042 179.022 176.870 0.183 0.000 1.103 154 L CA 1.273 56.342 54.840 0.383 0.000 0.769 154 L CB -0.601 41.572 42.059 0.190 0.000 0.908 154 L HN 0.323 nan 8.230 nan 0.000 0.438 155 L N -1.659 119.535 121.223 -0.048 0.000 2.156 155 L HA -0.087 4.254 4.340 0.002 0.000 0.208 155 L C 2.065 178.909 176.870 -0.044 0.000 1.095 155 L CA 1.566 56.334 54.840 -0.119 0.000 0.770 155 L CB -0.732 41.144 42.059 -0.305 0.000 0.914 155 L HN 0.169 nan 8.230 nan 0.000 0.439 156 F N -1.315 118.666 119.950 0.051 0.000 2.186 156 F HA -0.124 4.404 4.527 0.002 0.000 0.299 156 F C 2.154 177.929 175.800 -0.040 0.000 1.090 156 F CA 1.057 59.008 58.000 -0.081 0.000 1.307 156 F CB -1.150 37.650 39.000 -0.333 0.000 1.019 156 F HN 0.013 nan 8.300 nan 0.000 0.489 157 F N 0.131 120.236 119.950 0.259 0.000 2.186 157 F HA -0.101 4.427 4.527 0.002 0.000 0.299 157 F C 2.486 178.474 175.800 0.312 0.000 1.090 157 F CA 1.044 59.197 58.000 0.255 0.000 1.307 157 F CB -1.071 38.076 39.000 0.246 0.000 1.019 157 F HN -0.055 nan 8.300 nan 0.000 0.489 158 A N 0.456 123.518 122.820 0.403 0.000 1.873 158 A HA -0.225 4.097 4.320 0.002 0.000 0.218 158 A C 2.337 180.103 177.584 0.304 0.000 1.193 158 A CA 1.778 53.999 52.037 0.307 0.000 0.629 158 A CB -0.557 18.550 19.000 0.179 0.000 0.826 158 A HN 0.188 nan 8.150 nan 0.000 0.447 159 K N -0.187 120.353 120.400 0.233 0.000 2.063 159 K HA -0.162 4.160 4.320 0.002 0.000 0.208 159 K C 2.045 178.750 176.600 0.176 0.000 1.048 159 K CA 1.651 58.054 56.287 0.194 0.000 0.928 159 K CB -0.398 32.202 32.500 0.166 0.000 0.713 159 K HN 0.542 nan 8.250 nan 0.000 0.442 160 R N -0.370 120.221 120.500 0.152 0.000 2.092 160 R HA -0.082 4.260 4.340 0.002 0.000 0.231 160 R C 2.338 178.664 176.300 0.044 0.000 1.119 160 R CA 1.077 57.207 56.100 0.051 0.000 0.970 160 R CB -0.333 29.942 30.300 -0.041 0.000 0.864 160 R HN 0.195 nan 8.270 nan 0.000 0.440 161 Y N 1.206 121.581 120.300 0.126 0.000 2.242 161 Y HA -0.186 4.365 4.550 0.002 0.000 0.291 161 Y C 2.461 178.479 175.900 0.196 0.000 1.137 161 Y CA 1.406 59.586 58.100 0.133 0.000 1.181 161 Y CB -0.059 38.518 38.460 0.194 0.000 0.989 161 Y HN -0.037 nan 8.280 nan 0.000 0.527 162 K N 0.148 120.770 120.400 0.370 0.000 2.002 162 K HA -0.200 4.121 4.320 0.002 0.000 0.209 162 K C 2.257 178.985 176.600 0.214 0.000 1.048 162 K CA 1.338 57.824 56.287 0.332 0.000 0.930 162 K CB -0.356 32.328 32.500 0.306 0.000 0.714 162 K HN 0.229 nan 8.250 nan 0.000 0.438 163 A N 0.682 123.586 122.820 0.140 0.000 2.024 163 A HA -0.099 4.222 4.320 0.002 0.000 0.220 163 A C 2.188 179.774 177.584 0.002 0.000 1.164 163 A CA 1.825 53.908 52.037 0.076 0.000 0.643 163 A CB -0.620 18.407 19.000 0.045 0.000 0.806 163 A HN 0.517 nan 8.150 nan 0.000 0.451 164 A N -1.562 121.212 122.820 -0.077 0.000 1.970 164 A HA 0.214 4.536 4.320 0.002 0.000 0.216 164 A C 1.834 179.224 177.584 -0.324 0.000 1.170 164 A CA 1.062 52.962 52.037 -0.230 0.000 0.645 164 A CB -0.496 18.283 19.000 -0.368 0.000 0.816 164 A HN 0.422 nan 8.150 nan 0.000 0.447 165 F N 0.215 120.021 119.950 -0.240 0.000 2.149 165 F HA -0.046 4.483 4.527 0.003 0.000 0.294 165 F C 2.742 178.370 175.800 -0.286 0.000 1.095 165 F CA 1.749 59.431 58.000 -0.530 0.000 1.276 165 F CB -0.963 37.204 39.000 -1.388 0.000 1.023 165 F HN 0.089 nan 8.300 nan 0.000 0.480 166 T N -0.518 114.113 114.554 0.128 0.000 2.699 166 T HA -0.271 4.081 4.350 0.002 0.000 0.268 166 T C 1.928 176.742 174.700 0.190 0.000 1.036 166 T CA 1.883 64.191 62.100 0.347 0.000 1.147 166 T CB -0.296 68.752 68.868 0.299 0.000 0.862 166 T HN 0.347 nan 8.240 nan 0.000 0.446 167 E N -0.592 119.660 120.200 0.087 0.000 2.076 167 E HA -0.096 4.255 4.350 0.002 0.000 0.190 167 E C 2.199 178.818 176.600 0.030 0.000 0.979 167 E CA 1.008 57.437 56.400 0.047 0.000 0.807 167 E CB -0.077 29.627 29.700 0.008 0.000 0.761 167 E HN 0.462 nan 8.360 nan 0.000 0.454 168 c N 0.104 118.699 118.600 -0.009 0.000 2.485 168 c HA 0.045 4.617 4.570 0.002 0.000 0.278 168 c C 2.578 176.691 174.090 0.037 0.000 1.356 168 c CA -0.102 56.217 56.329 -0.017 0.000 1.747 168 c CB -0.637 41.815 42.510 -0.096 0.000 2.001 168 c HN 0.608 nan 8.230 nan 0.000 0.501 169 c N 0.455 119.113 118.600 0.097 0.000 2.511 169 c HA -0.053 4.518 4.570 0.002 0.000 0.277 169 c C 2.309 176.483 174.090 0.141 0.000 1.451 169 c CA 0.877 57.300 56.329 0.157 0.000 1.735 169 c CB -1.962 40.722 42.510 0.290 0.000 1.704 169 c HN 0.705 nan 8.230 nan 0.000 0.571 170 Q N -0.122 119.747 119.800 0.116 0.000 2.217 170 Q HA 0.351 4.692 4.340 0.002 0.000 0.217 170 Q C 0.695 176.731 176.000 0.060 0.000 0.844 170 Q CA -0.042 55.818 55.803 0.096 0.000 0.957 170 Q CB 0.311 29.111 28.738 0.105 0.000 1.127 170 Q HN 0.604 nan 8.270 nan 0.000 0.503 171 A N -0.135 122.714 122.820 0.048 0.000 2.287 171 A HA 0.631 4.952 4.320 0.002 0.000 0.273 171 A C 1.005 178.604 177.584 0.026 0.000 1.091 171 A CA 0.345 52.400 52.037 0.029 0.000 0.817 171 A CB 0.414 19.424 19.000 0.016 0.000 1.069 171 A HN 0.405 nan 8.150 nan 0.000 0.492 172 A N 0.062 122.893 122.820 0.018 0.000 1.835 172 A HA -0.044 4.278 4.320 0.002 0.000 0.215 172 A C 0.984 178.576 177.584 0.014 0.000 1.199 172 A CA 2.030 54.077 52.037 0.015 0.000 0.615 172 A CB -0.459 18.548 19.000 0.011 0.000 0.838 172 A HN 0.734 nan 8.150 nan 0.000 0.444 173 D N -0.650 119.756 120.400 0.010 0.000 2.518 173 D HA 0.327 4.969 4.640 0.002 0.000 0.230 173 D C 0.880 177.185 176.300 0.008 0.000 1.138 173 D CA -0.163 53.842 54.000 0.009 0.000 0.964 173 D CB 0.398 41.201 40.800 0.005 0.000 1.011 173 D HN 0.321 nan 8.370 nan 0.000 0.517 174 K N 1.405 121.813 120.400 0.015 0.000 2.000 174 K HA -0.228 4.094 4.320 0.002 0.000 0.218 174 K C 1.967 178.568 176.600 0.002 0.000 1.053 174 K CA 1.693 57.989 56.287 0.015 0.000 0.946 174 K CB -0.149 32.372 32.500 0.035 0.000 0.723 174 K HN 0.350 nan 8.250 nan 0.000 0.446 175 A N 1.603 124.429 122.820 0.010 0.000 1.903 175 A HA -0.230 4.091 4.320 0.002 0.000 0.219 175 A C 2.395 179.975 177.584 -0.007 0.000 1.191 175 A CA 2.272 54.313 52.037 0.006 0.000 0.638 175 A CB -0.969 18.040 19.000 0.014 0.000 0.823 175 A HN 0.427 nan 8.150 nan 0.000 0.451 176 A N -2.027 120.790 122.820 -0.006 0.000 2.172 176 A HA -0.035 4.287 4.320 0.002 0.000 0.216 176 A C 2.201 179.773 177.584 -0.020 0.000 1.154 176 A CA 1.561 53.592 52.037 -0.010 0.000 0.701 176 A CB -0.937 18.060 19.000 -0.005 0.000 0.789 176 A HN 0.807 nan 8.150 nan 0.000 0.465 177 c N -1.991 116.593 118.600 -0.027 0.000 2.543 177 c HA 0.279 4.850 4.570 0.002 0.000 0.289 177 c C 2.291 176.336 174.090 -0.075 0.000 1.368 177 c CA 0.834 57.137 56.329 -0.043 0.000 1.778 177 c CB -0.964 41.525 42.510 -0.035 0.000 2.155 177 c HN 0.531 nan 8.230 nan 0.000 0.529 178 L N 0.972 122.140 121.223 -0.092 0.000 2.044 178 L HA 0.102 4.444 4.340 0.002 0.000 0.205 178 L C 2.197 178.991 176.870 -0.128 0.000 1.075 178 L CA 1.847 56.591 54.840 -0.159 0.000 0.747 178 L CB -0.978 40.974 42.059 -0.180 0.000 0.903 178 L HN 0.219 nan 8.230 nan 0.000 0.435 179 L N 0.174 121.357 121.223 -0.068 0.000 2.021 179 L HA -0.175 4.167 4.340 0.002 0.000 0.215 179 L C -0.238 176.607 176.870 -0.042 0.000 1.074 179 L CA 2.342 57.158 54.840 -0.040 0.000 0.760 179 L CB -2.320 39.731 42.059 -0.012 0.000 0.889 179 L HN 0.230 nan 8.230 nan 0.000 0.433 180 P HA -0.144 nan 4.420 nan 0.000 0.217 180 P C 1.499 178.766 177.300 -0.056 0.000 1.151 180 P CA 1.345 64.424 63.100 -0.035 0.000 0.828 180 P CB 0.031 31.714 31.700 -0.029 0.000 0.788 181 K N -0.660 119.684 120.400 -0.093 0.000 2.097 181 K HA -0.029 4.293 4.320 0.002 0.000 0.205 181 K C 2.073 178.571 176.600 -0.169 0.000 1.050 181 K CA 1.003 57.209 56.287 -0.136 0.000 0.938 181 K CB -0.644 31.748 32.500 -0.180 0.000 0.718 181 K HN 0.189 nan 8.250 nan 0.000 0.442 182 L N 1.235 122.371 121.223 -0.144 0.000 2.027 182 L HA -0.199 4.142 4.340 0.002 0.000 0.206 182 L C 1.951 178.808 176.870 -0.020 0.000 1.074 182 L CA 1.216 56.005 54.840 -0.084 0.000 0.745 182 L CB -0.465 41.582 42.059 -0.019 0.000 0.898 182 L HN 0.197 nan 8.230 nan 0.000 0.433 183 D N -0.094 120.299 120.400 -0.012 0.000 2.123 183 D HA -0.251 4.390 4.640 0.002 0.000 0.196 183 D C 1.976 178.284 176.300 0.014 0.000 0.992 183 D CA 1.319 55.327 54.000 0.013 0.000 0.833 183 D CB -0.040 40.768 40.800 0.013 0.000 0.954 183 D HN 0.372 nan 8.370 nan 0.000 0.455 184 E N -0.170 120.024 120.200 -0.009 0.000 2.204 184 E HA -0.172 4.179 4.350 0.002 0.000 0.195 184 E C 1.864 178.476 176.600 0.020 0.000 0.990 184 E CA 0.488 56.891 56.400 0.006 0.000 0.821 184 E CB 0.082 29.773 29.700 -0.014 0.000 0.750 184 E HN 0.043 nan 8.360 nan 0.000 0.477 185 L N 1.022 122.222 121.223 -0.039 0.000 2.131 185 L HA -0.031 4.310 4.340 0.002 0.000 0.206 185 L C 2.454 179.384 176.870 0.100 0.000 1.087 185 L CA 1.392 56.215 54.840 -0.029 0.000 0.767 185 L CB -0.849 40.924 42.059 -0.476 0.000 0.917 185 L HN 0.109 nan 8.230 nan 0.000 0.441 186 R N -0.157 120.398 120.500 0.092 0.000 2.082 186 R HA -0.188 4.154 4.340 0.002 0.000 0.234 186 R C 1.833 178.164 176.300 0.053 0.000 1.136 186 R CA 2.046 58.193 56.100 0.079 0.000 0.935 186 R CB -0.283 30.058 30.300 0.069 0.000 0.842 186 R HN 0.322 nan 8.270 nan 0.000 0.430 187 D N 0.322 120.765 120.400 0.071 0.000 2.092 187 D HA -0.199 4.442 4.640 0.002 0.000 0.193 187 D C 1.788 178.165 176.300 0.127 0.000 0.994 187 D CA 1.382 55.435 54.000 0.089 0.000 0.828 187 D CB -0.327 40.529 40.800 0.093 0.000 0.963 187 D HN 0.429 nan 8.370 nan 0.000 0.450 188 E N 0.089 120.394 120.200 0.175 0.000 2.118 188 E HA -0.140 4.211 4.350 0.002 0.000 0.195 188 E C 2.091 178.864 176.600 0.289 0.000 0.992 188 E CA 1.222 57.786 56.400 0.274 0.000 0.804 188 E CB -0.189 29.714 29.700 0.339 0.000 0.741 188 E HN 0.280 nan 8.360 nan 0.000 0.458 189 G N 0.868 109.712 108.800 0.073 0.000 2.404 189 G HA2 -0.249 3.713 3.960 0.002 0.000 0.215 189 G HA3 -0.249 3.713 3.960 0.002 0.000 0.215 189 G C 1.443 176.251 174.900 -0.153 0.000 1.174 189 G CA 0.659 45.537 45.100 -0.370 0.000 0.780 189 G HN 0.141 nan 8.290 nan 0.000 0.537 190 K N 0.621 120.978 120.400 -0.071 0.000 2.147 190 K HA 0.048 4.370 4.320 0.002 0.000 0.205 190 K C 2.912 179.542 176.600 0.050 0.000 1.049 190 K CA 0.869 57.139 56.287 -0.029 0.000 0.936 190 K CB -0.170 32.333 32.500 0.004 0.000 0.722 190 K HN 0.274 nan 8.250 nan 0.000 0.446 191 A N 1.063 123.942 122.820 0.098 0.000 1.877 191 A HA -0.190 4.131 4.320 0.002 0.000 0.216 191 A C 2.252 179.910 177.584 0.123 0.000 1.186 191 A CA 2.065 54.174 52.037 0.119 0.000 0.620 191 A CB -0.766 18.327 19.000 0.155 0.000 0.822 191 A HN 0.283 nan 8.150 nan 0.000 0.443 192 S N -0.747 115.069 115.700 0.194 0.000 2.370 192 S HA -0.163 4.309 4.470 0.002 0.000 0.226 192 S C 2.336 177.035 174.600 0.164 0.000 1.033 192 S CA 2.040 60.377 58.200 0.227 0.000 1.011 192 S CB -0.474 62.996 63.200 0.450 0.000 0.852 192 S HN 0.619 nan 8.310 nan 0.000 0.457 193 S N 0.659 116.504 115.700 0.242 0.000 2.348 193 S HA -0.001 4.470 4.470 0.002 0.000 0.221 193 S C 2.150 176.808 174.600 0.096 0.000 1.033 193 S CA 1.439 59.767 58.200 0.214 0.000 1.010 193 S CB -0.878 62.396 63.200 0.123 0.000 0.891 193 S HN 0.714 nan 8.310 nan 0.000 0.442 194 A N 1.467 124.331 122.820 0.074 0.000 1.908 194 A HA -0.156 4.166 4.320 0.002 0.000 0.218 194 A C 2.119 179.720 177.584 0.028 0.000 1.181 194 A CA 1.833 53.900 52.037 0.050 0.000 0.627 194 A CB -0.611 18.418 19.000 0.047 0.000 0.818 194 A HN 0.652 nan 8.150 nan 0.000 0.445 195 K N -0.612 119.804 120.400 0.026 0.000 2.057 195 K HA -0.168 4.154 4.320 0.002 0.000 0.207 195 K C 2.311 178.904 176.600 -0.012 0.000 1.049 195 K CA 1.557 57.843 56.287 -0.001 0.000 0.931 195 K CB -0.234 32.270 32.500 0.006 0.000 0.714 195 K HN 0.629 nan 8.250 nan 0.000 0.440 196 Q N 0.493 120.291 119.800 -0.003 0.000 2.084 196 Q HA -0.141 4.201 4.340 0.002 0.000 0.202 196 Q C 2.116 178.108 176.000 -0.013 0.000 0.978 196 Q CA 1.364 57.159 55.803 -0.013 0.000 0.844 196 Q CB -0.083 28.621 28.738 -0.057 0.000 0.898 196 Q HN 0.295 nan 8.270 nan 0.000 0.426 197 R N 0.068 120.566 120.500 -0.003 0.000 2.092 197 R HA -0.046 4.295 4.340 0.002 0.000 0.231 197 R C 1.168 177.446 176.300 -0.036 0.000 1.119 197 R CA 0.199 56.289 56.100 -0.018 0.000 0.970 197 R CB -0.393 29.913 30.300 0.011 0.000 0.864 197 R HN 0.112 nan 8.270 nan 0.000 0.440 201 A N 1.126 123.891 122.820 -0.091 0.000 1.927 201 A HA -0.195 4.127 4.320 0.002 0.000 0.220 201 A C 2.053 179.573 177.584 -0.107 0.000 1.185 201 A CA 2.935 54.913 52.037 -0.099 0.000 0.639 201 A CB -0.838 18.117 19.000 -0.075 0.000 0.820 201 A HN 0.630 nan 8.150 nan 0.000 0.451 202 S N -0.691 114.986 115.700 -0.038 0.000 2.353 202 S HA -0.167 4.304 4.470 0.002 0.000 0.222 202 S C 1.828 176.463 174.600 0.059 0.000 1.035 202 S CA 1.510 59.760 58.200 0.083 0.000 1.025 202 S CB -0.479 62.788 63.200 0.112 0.000 0.902 202 S HN 0.498 nan 8.310 nan 0.000 0.440 203 L N 1.815 123.034 121.223 -0.007 0.000 2.187 203 L HA -0.121 4.221 4.340 0.002 0.000 0.213 203 L C 2.086 178.903 176.870 -0.089 0.000 1.100 203 L CA 1.625 56.424 54.840 -0.069 0.000 0.765 203 L CB -0.743 41.153 42.059 -0.271 0.000 0.904 203 L HN 0.322 nan 8.230 nan 0.000 0.437 204 Q N -0.999 118.728 119.800 -0.122 0.000 2.033 204 Q HA -0.154 4.188 4.340 0.002 0.000 0.196 204 Q C 2.128 178.021 176.000 -0.179 0.000 0.970 204 Q CA 1.560 57.280 55.803 -0.137 0.000 0.828 204 Q CB -0.047 28.607 28.738 -0.140 0.000 0.895 204 Q HN 0.509 nan 8.270 nan 0.000 0.440 205 K N 0.291 120.504 120.400 -0.312 0.000 1.973 205 K HA -0.069 4.252 4.320 0.002 0.000 0.210 205 K C 1.728 178.055 176.600 -0.455 0.000 1.045 205 K CA 1.322 57.291 56.287 -0.530 0.000 0.937 205 K CB -0.151 31.716 32.500 -1.055 0.000 0.721 205 K HN 0.118 nan 8.250 nan 0.000 0.438 206 F N 0.972 120.923 119.950 0.002 0.000 2.780 206 F HA 0.162 4.692 4.527 0.005 0.000 0.299 206 F C 1.202 177.022 175.800 0.034 0.000 1.146 206 F CA 0.099 58.111 58.000 0.020 0.000 1.428 206 F CB -0.051 38.965 39.000 0.027 0.000 1.115 206 F HN 0.203 nan 8.300 nan 0.000 0.583 207 G N 0.963 109.844 108.800 0.134 0.000 2.787 207 G HA2 -0.286 3.676 3.960 0.002 0.000 0.685 207 G HA3 -0.286 3.676 3.960 0.002 0.000 0.685 207 G C 0.377 175.364 174.900 0.146 0.000 1.437 207 G CA -0.016 45.146 45.100 0.102 0.000 0.872 207 G HN 0.319 nan 8.290 nan 0.000 0.566 208 E N -0.105 120.157 120.200 0.102 0.000 2.086 208 E HA -0.261 4.090 4.350 0.002 0.000 0.200 208 E C 2.526 179.250 176.600 0.207 0.000 1.012 208 E CA 1.742 58.226 56.400 0.140 0.000 0.812 208 E CB -0.075 29.674 29.700 0.081 0.000 0.743 208 E HN 0.562 nan 8.360 nan 0.000 0.453 209 R N -0.048 120.546 120.500 0.156 0.000 2.115 209 R HA -0.230 4.112 4.340 0.002 0.000 0.239 209 R C 2.259 178.657 176.300 0.164 0.000 1.133 209 R CA 1.812 58.001 56.100 0.148 0.000 0.935 209 R CB -0.448 29.922 30.300 0.117 0.000 0.853 209 R HN 0.230 nan 8.270 nan 0.000 0.433 210 A N -0.086 122.837 122.820 0.172 0.000 1.972 210 A HA -0.183 4.139 4.320 0.002 0.000 0.219 210 A C 2.002 179.696 177.584 0.182 0.000 1.169 210 A CA 1.293 53.419 52.037 0.149 0.000 0.635 210 A CB -0.728 18.355 19.000 0.139 0.000 0.810 210 A HN 0.565 nan 8.150 nan 0.000 0.446 211 F N 0.649 120.664 119.950 0.108 0.000 2.146 211 F HA -0.087 4.442 4.527 0.003 0.000 0.298 211 F C 2.154 178.058 175.800 0.174 0.000 1.096 211 F CA 1.955 60.020 58.000 0.108 0.000 1.275 211 F CB -0.110 38.913 39.000 0.039 0.000 1.008 211 F HN 0.104 nan 8.300 nan 0.000 0.480 212 K N 0.204 120.737 120.400 0.221 0.000 2.057 212 K HA -0.147 4.175 4.320 0.002 0.000 0.207 212 K C 2.311 178.940 176.600 0.049 0.000 1.049 212 K CA 1.158 57.528 56.287 0.138 0.000 0.931 212 K CB -0.591 32.011 32.500 0.171 0.000 0.714 212 K HN 0.344 nan 8.250 nan 0.000 0.440 213 A N 1.145 124.009 122.820 0.074 0.000 1.865 213 A HA -0.222 4.099 4.320 0.002 0.000 0.217 213 A C 1.964 179.534 177.584 -0.023 0.000 1.191 213 A CA 1.586 53.651 52.037 0.047 0.000 0.623 213 A CB -1.149 17.891 19.000 0.065 0.000 0.826 213 A HN 0.608 nan 8.150 nan 0.000 0.444 214 W N 0.606 121.789 121.300 -0.196 0.000 2.321 214 W HA -0.210 4.450 4.660 0.000 0.000 0.306 214 W C 2.443 178.783 176.519 -0.299 0.000 1.217 214 W CA 2.601 59.788 57.345 -0.264 0.000 1.257 214 W CB -0.163 29.082 29.460 -0.358 0.000 1.145 214 W HN 0.386 nan 8.180 nan 0.000 0.509 215 A N -0.547 122.149 122.820 -0.207 0.000 1.898 215 A HA -0.145 4.177 4.320 0.002 0.000 0.216 215 A C 2.014 179.459 177.584 -0.232 0.000 1.181 215 A CA 2.158 54.042 52.037 -0.255 0.000 0.620 215 A CB -1.206 17.714 19.000 -0.133 0.000 0.819 215 A HN 0.165 nan 8.150 nan 0.000 0.442 216 V N 0.048 119.887 119.914 -0.124 0.000 2.255 216 V HA -0.280 3.842 4.120 0.002 0.000 0.247 216 V C 3.094 179.116 176.094 -0.121 0.000 1.051 216 V CA 2.060 64.332 62.300 -0.048 0.000 1.018 216 V CB -1.381 30.480 31.823 0.065 0.000 0.641 216 V HN 0.621 nan 8.190 nan 0.000 0.445 217 A N 0.227 122.922 122.820 -0.209 0.000 1.873 217 A HA -0.326 3.995 4.320 0.002 0.000 0.218 217 A C 2.306 179.671 177.584 -0.364 0.000 1.193 217 A CA 2.583 54.457 52.037 -0.271 0.000 0.629 217 A CB -0.626 18.177 19.000 -0.328 0.000 0.826 217 A HN 0.455 nan 8.150 nan 0.000 0.447 218 R N -0.124 120.034 120.500 -0.570 0.000 2.081 218 R HA 0.002 4.343 4.340 0.002 0.000 0.235 218 R C 1.963 177.997 176.300 -0.444 0.000 1.131 218 R CA 1.649 57.376 56.100 -0.622 0.000 0.960 218 R CB -0.763 28.921 30.300 -1.028 0.000 0.856 218 R HN 0.555 nan 8.270 nan 0.000 0.436 219 L N -0.075 120.937 121.223 -0.351 0.000 2.072 219 L HA -0.093 4.249 4.340 0.002 0.000 0.205 219 L C 2.152 178.874 176.870 -0.247 0.000 1.079 219 L CA 1.627 56.272 54.840 -0.324 0.000 0.752 219 L CB -0.468 41.522 42.059 -0.115 0.000 0.906 219 L HN 0.316 nan 8.230 nan 0.000 0.436 220 S N -1.220 114.426 115.700 -0.089 0.000 2.481 220 S HA -0.219 4.253 4.470 0.002 0.000 0.231 220 S C 1.783 176.303 174.600 -0.134 0.000 0.996 220 S CA 0.674 58.877 58.200 0.004 0.000 0.942 220 S CB -0.196 63.085 63.200 0.136 0.000 0.768 220 S HN 0.421 nan 8.310 nan 0.000 0.520 221 Q N 0.856 120.531 119.800 -0.209 0.000 2.230 221 Q HA 0.103 4.445 4.340 0.002 0.000 0.202 221 Q C 2.081 177.949 176.000 -0.221 0.000 0.963 221 Q CA 0.818 56.490 55.803 -0.218 0.000 0.866 221 Q CB 0.089 28.684 28.738 -0.238 0.000 0.931 221 Q HN 0.533 nan 8.270 nan 0.000 0.452 222 R N -1.530 118.776 120.500 -0.322 0.000 2.254 222 R HA 0.102 4.443 4.340 0.002 0.000 0.193 222 R C -0.286 175.908 176.300 -0.176 0.000 0.929 222 R CA 0.060 55.935 56.100 -0.375 0.000 1.038 222 R CB 0.786 30.701 30.300 -0.642 0.000 1.009 222 R HN 0.048 nan 8.270 nan 0.000 0.512 223 F N 1.376 121.309 119.950 -0.028 0.000 2.530 223 F HA 0.332 4.861 4.527 0.003 0.000 0.318 223 F C -1.735 174.075 175.800 0.017 0.000 1.356 223 F CA -3.352 54.649 58.000 0.001 0.000 1.135 223 F CB 1.083 40.099 39.000 0.025 0.000 1.315 223 F HN -0.141 nan 8.300 nan 0.000 0.549 224 P HA -0.168 nan 4.420 nan 0.000 0.225 224 P C 0.789 178.119 177.300 0.049 0.000 1.148 224 P CA 1.359 64.465 63.100 0.009 0.000 0.779 224 P CB 0.350 32.008 31.700 -0.071 0.000 0.780 225 K N -0.736 119.720 120.400 0.093 0.000 2.393 225 K HA 0.272 4.594 4.320 0.002 0.000 0.193 225 K C 1.116 177.790 176.600 0.124 0.000 1.026 225 K CA -0.204 56.132 56.287 0.081 0.000 1.064 225 K CB 0.265 32.791 32.500 0.043 0.000 0.833 225 K HN 0.067 nan 8.250 nan 0.000 0.521 226 A N 1.820 124.748 122.820 0.179 0.000 2.351 226 A HA 0.125 4.446 4.320 0.002 0.000 0.257 226 A C -0.134 177.585 177.584 0.225 0.000 1.087 226 A CA -0.323 51.812 52.037 0.163 0.000 0.798 226 A CB 0.319 19.416 19.000 0.162 0.000 1.033 226 A HN 0.142 nan 8.150 nan 0.000 0.488 227 E N 0.012 120.282 120.200 0.117 0.000 2.374 227 E HA 0.140 4.491 4.350 0.002 0.000 0.260 227 E C 0.194 176.722 176.600 -0.121 0.000 1.101 227 E CA -0.247 56.195 56.400 0.071 0.000 0.907 227 E CB 0.525 30.255 29.700 0.049 0.000 1.014 227 E HN 0.647 nan 8.360 nan 0.000 0.427 228 F N 2.257 121.888 119.950 -0.531 0.000 2.202 228 F HA -0.191 4.338 4.527 0.003 0.000 0.301 228 F C 1.839 177.468 175.800 -0.285 0.000 1.082 228 F CA 1.768 59.318 58.000 -0.750 0.000 1.313 228 F CB -0.112 38.435 39.000 -0.755 0.000 1.024 228 F HN 0.531 nan 8.300 nan 0.000 0.495 229 A N -0.235 122.433 122.820 -0.253 0.000 1.898 229 A HA -0.171 4.150 4.320 0.002 0.000 0.216 229 A C 2.078 179.528 177.584 -0.224 0.000 1.181 229 A CA 1.653 53.543 52.037 -0.245 0.000 0.620 229 A CB -0.826 18.140 19.000 -0.056 0.000 0.819 229 A HN 0.429 nan 8.150 nan 0.000 0.442 230 E N -0.042 120.079 120.200 -0.131 0.000 2.077 230 E HA -0.109 4.243 4.350 0.002 0.000 0.193 230 E C 1.814 178.375 176.600 -0.065 0.000 0.989 230 E CA 1.502 57.875 56.400 -0.044 0.000 0.800 230 E CB -0.372 29.335 29.700 0.012 0.000 0.746 230 E HN 0.236 nan 8.360 nan 0.000 0.452 231 V N 0.136 119.971 119.914 -0.131 0.000 2.490 231 V HA -0.214 3.908 4.120 0.002 0.000 0.250 231 V C 2.321 178.297 176.094 -0.197 0.000 1.061 231 V CA 1.800 64.045 62.300 -0.092 0.000 1.064 231 V CB -0.494 31.293 31.823 -0.061 0.000 0.670 231 V HN 0.226 nan 8.190 nan 0.000 0.461 232 S N -0.736 114.715 115.700 -0.415 0.000 2.355 232 S HA -0.180 4.292 4.470 0.002 0.000 0.222 232 S C 2.137 176.631 174.600 -0.177 0.000 1.031 232 S CA 1.262 59.239 58.200 -0.371 0.000 0.993 232 S CB -0.273 62.606 63.200 -0.536 0.000 0.859 232 S HN 0.436 nan 8.310 nan 0.000 0.453 233 K N 1.482 121.790 120.400 -0.154 0.000 2.009 233 K HA -0.069 4.252 4.320 0.002 0.000 0.210 233 K C 2.035 178.578 176.600 -0.095 0.000 1.049 233 K CA 1.346 57.563 56.287 -0.116 0.000 0.929 233 K CB -0.739 31.699 32.500 -0.103 0.000 0.714 233 K HN 0.347 nan 8.250 nan 0.000 0.440 234 L N 0.627 121.824 121.223 -0.042 0.000 2.042 234 L HA -0.201 4.140 4.340 0.002 0.000 0.210 234 L C 2.557 179.455 176.870 0.046 0.000 1.076 234 L CA 1.002 55.856 54.840 0.024 0.000 0.749 234 L CB -0.560 41.572 42.059 0.123 0.000 0.893 234 L HN -0.044 nan 8.230 nan 0.000 0.432 235 V N -0.525 119.406 119.914 0.028 0.000 2.392 235 V HA -0.288 3.833 4.120 0.002 0.000 0.249 235 V C 2.533 178.682 176.094 0.092 0.000 1.059 235 V CA 2.285 64.623 62.300 0.063 0.000 1.051 235 V CB -0.703 31.134 31.823 0.024 0.000 0.658 235 V HN 0.494 nan 8.190 nan 0.000 0.455 236 T N -0.342 114.232 114.554 0.035 0.000 2.639 236 T HA -0.174 4.177 4.350 0.002 0.000 0.261 236 T C 1.693 176.418 174.700 0.042 0.000 1.053 236 T CA 1.691 63.812 62.100 0.036 0.000 1.158 236 T CB -0.418 68.444 68.868 -0.011 0.000 0.863 236 T HN 0.467 nan 8.240 nan 0.000 0.413 237 D N 1.309 121.708 120.400 -0.001 0.000 2.133 237 D HA -0.076 4.565 4.640 0.002 0.000 0.195 237 D C 2.043 178.378 176.300 0.058 0.000 0.997 237 D CA 0.509 54.505 54.000 -0.007 0.000 0.840 237 D CB -0.470 40.286 40.800 -0.073 0.000 0.947 237 D HN 0.141 nan 8.370 nan 0.000 0.452 238 L N 0.964 122.257 121.223 0.116 0.000 2.131 238 L HA -0.139 4.203 4.340 0.002 0.000 0.210 238 L C 1.884 178.950 176.870 0.327 0.000 1.092 238 L CA 1.551 56.524 54.840 0.221 0.000 0.759 238 L CB -0.834 41.383 42.059 0.265 0.000 0.903 238 L HN 0.040 nan 8.230 nan 0.000 0.435 239 T N -0.536 114.189 114.554 0.285 0.000 2.857 239 T HA -0.174 4.178 4.350 0.002 0.000 0.266 239 T C 1.868 176.600 174.700 0.054 0.000 1.048 239 T CA 1.221 63.458 62.100 0.229 0.000 1.139 239 T CB 0.082 69.089 68.868 0.233 0.000 0.874 239 T HN 0.300 nan 8.240 nan 0.000 0.455 240 K N 0.922 121.351 120.400 0.050 0.000 2.057 240 K HA -0.076 4.245 4.320 0.002 0.000 0.206 240 K C 2.186 178.782 176.600 -0.007 0.000 1.050 240 K CA 1.002 57.292 56.287 0.005 0.000 0.935 240 K CB -0.287 32.217 32.500 0.005 0.000 0.715 240 K HN 0.127 nan 8.250 nan 0.000 0.439 241 V N 1.466 121.381 119.914 0.002 0.000 2.233 241 V HA -0.295 3.826 4.120 0.002 0.000 0.247 241 V C 2.377 178.394 176.094 -0.129 0.000 1.050 241 V CA 1.998 64.259 62.300 -0.065 0.000 1.010 241 V CB -0.754 31.011 31.823 -0.097 0.000 0.637 241 V HN 0.461 nan 8.190 nan 0.000 0.444 242 H N -0.068 118.957 119.070 -0.076 0.000 2.387 242 H HA -0.144 4.414 4.556 0.003 0.000 0.299 242 H C 2.486 177.705 175.328 -0.183 0.000 1.099 242 H CA 2.071 58.029 56.048 -0.151 0.000 1.315 242 H CB -0.418 29.182 29.762 -0.270 0.000 1.380 242 H HN 0.438 nan 8.280 nan 0.000 0.513 243 T N 0.881 115.384 114.554 -0.085 0.000 2.652 243 T HA -0.146 4.205 4.350 0.002 0.000 0.267 243 T C 1.917 176.597 174.700 -0.033 0.000 1.039 243 T CA 1.582 63.623 62.100 -0.098 0.000 1.153 243 T CB -0.105 68.701 68.868 -0.104 0.000 0.863 243 T HN 0.520 nan 8.240 nan 0.000 0.428 244 E N 0.148 120.342 120.200 -0.011 0.000 2.028 244 E HA -0.101 4.251 4.350 0.002 0.000 0.191 244 E C 2.570 179.215 176.600 0.074 0.000 0.988 244 E CA 1.242 57.674 56.400 0.054 0.000 0.799 244 E CB -0.356 29.371 29.700 0.046 0.000 0.755 244 E HN 0.433 nan 8.360 nan 0.000 0.447 245 c N 0.641 119.239 118.600 -0.003 0.000 2.403 245 c HA -0.172 4.399 4.570 0.002 0.000 0.279 245 c C 2.844 176.950 174.090 0.027 0.000 1.269 245 c CA 0.262 56.581 56.329 -0.016 0.000 1.774 245 c CB -0.920 41.494 42.510 -0.159 0.000 1.993 245 c HN 0.603 nan 8.230 nan 0.000 0.496 246 c N -1.471 117.136 118.600 0.013 0.000 2.467 246 c HA -0.079 4.493 4.570 0.002 0.000 0.279 246 c C 2.597 176.704 174.090 0.029 0.000 1.347 246 c CA 0.672 56.996 56.329 -0.009 0.000 1.748 246 c CB -1.699 40.782 42.510 -0.049 0.000 1.977 246 c HN 0.705 nan 8.230 nan 0.000 0.501 247 H N 0.255 119.308 119.070 -0.027 0.000 2.489 247 H HA -0.017 4.541 4.556 0.002 0.000 0.293 247 H C 1.919 177.299 175.328 0.088 0.000 1.066 247 H CA 1.209 57.257 56.048 0.001 0.000 1.305 247 H CB -0.056 29.711 29.762 0.008 0.000 1.386 247 H HN 0.562 nan 8.280 nan 0.000 0.551 248 G N 0.778 109.641 108.800 0.105 0.000 2.213 248 G HA2 -0.250 3.712 3.960 0.002 0.000 0.236 248 G HA3 -0.250 3.712 3.960 0.002 0.000 0.236 248 G C 0.058 175.001 174.900 0.071 0.000 0.991 248 G CA 0.232 45.431 45.100 0.165 0.000 0.629 248 G HN 0.527 nan 8.290 nan 0.000 0.517 249 D N 1.328 121.761 120.400 0.055 0.000 2.342 249 D HA 0.290 4.931 4.640 0.002 0.000 0.260 249 D C 1.725 178.106 176.300 0.135 0.000 1.278 249 D CA -0.275 53.797 54.000 0.121 0.000 0.910 249 D CB 0.867 41.768 40.800 0.168 0.000 1.079 249 D HN 0.151 nan 8.370 nan 0.000 0.496 250 L N 5.642 126.925 121.223 0.100 0.000 1.989 250 L HA -0.161 4.180 4.340 0.002 0.000 0.211 250 L C 1.983 178.887 176.870 0.058 0.000 1.071 250 L CA 1.662 56.542 54.840 0.066 0.000 0.749 250 L CB -0.745 41.287 42.059 -0.044 0.000 0.890 250 L HN 0.553 nan 8.230 nan 0.000 0.431 251 L N -0.660 120.567 121.223 0.007 0.000 1.955 251 L HA -0.237 4.105 4.340 0.002 0.000 0.213 251 L C 2.762 179.665 176.870 0.055 0.000 1.072 251 L CA 1.655 56.472 54.840 -0.039 0.000 0.755 251 L CB -0.617 41.301 42.059 -0.236 0.000 0.888 251 L HN 0.329 nan 8.230 nan 0.000 0.432 252 E N -0.573 119.704 120.200 0.127 0.000 2.065 252 E HA -0.352 3.999 4.350 0.002 0.000 0.201 252 E C 2.203 178.863 176.600 0.100 0.000 1.016 252 E CA 1.863 58.342 56.400 0.132 0.000 0.818 252 E CB -0.860 28.940 29.700 0.167 0.000 0.749 252 E HN 0.649 nan 8.360 nan 0.000 0.453 253 c N 0.874 119.538 118.600 0.106 0.000 2.388 253 c HA -0.198 4.374 4.570 0.002 0.000 0.277 253 c C 2.927 177.078 174.090 0.101 0.000 1.210 253 c CA 2.066 58.442 56.329 0.078 0.000 1.743 253 c CB -1.203 41.367 42.510 0.100 0.000 2.047 253 c HN 0.510 nan 8.230 nan 0.000 0.458 254 A N 0.018 122.958 122.820 0.199 0.000 1.917 254 A HA -0.213 4.109 4.320 0.002 0.000 0.219 254 A C 1.897 179.566 177.584 0.141 0.000 1.182 254 A CA 2.477 54.659 52.037 0.241 0.000 0.633 254 A CB -0.858 18.240 19.000 0.163 0.000 0.819 254 A HN 0.714 nan 8.150 nan 0.000 0.448 255 D N -0.170 120.291 120.400 0.101 0.000 2.117 255 D HA -0.085 4.556 4.640 0.002 0.000 0.198 255 D C 1.421 177.769 176.300 0.081 0.000 0.982 255 D CA 1.445 55.500 54.000 0.091 0.000 0.828 255 D CB -0.447 40.403 40.800 0.084 0.000 0.967 255 D HN 0.431 nan 8.370 nan 0.000 0.464 256 D N 0.004 120.442 120.400 0.063 0.000 2.144 256 D HA -0.065 4.576 4.640 0.002 0.000 0.199 256 D C 2.061 178.384 176.300 0.038 0.000 0.984 256 D CA 0.676 54.702 54.000 0.043 0.000 0.834 256 D CB -0.033 40.780 40.800 0.023 0.000 0.955 256 D HN 0.120 nan 8.370 nan 0.000 0.465 257 R N 0.290 120.809 120.500 0.032 0.000 2.148 257 R HA 0.031 4.372 4.340 0.002 0.000 0.227 257 R C 2.102 178.451 176.300 0.082 0.000 1.103 257 R CA 1.044 57.162 56.100 0.030 0.000 0.983 257 R CB -0.140 30.157 30.300 -0.005 0.000 0.874 257 R HN 0.135 nan 8.270 nan 0.000 0.451 258 A N 1.387 124.267 122.820 0.101 0.000 1.872 258 A HA -0.145 4.176 4.320 0.002 0.000 0.214 258 A C 1.559 179.207 177.584 0.107 0.000 1.187 258 A CA 1.356 53.460 52.037 0.112 0.000 0.614 258 A CB -0.263 18.806 19.000 0.115 0.000 0.826 258 A HN 0.121 nan 8.150 nan 0.000 0.442 259 D N -0.117 120.342 120.400 0.098 0.000 2.106 259 D HA -0.177 4.464 4.640 0.002 0.000 0.191 259 D C 1.869 178.244 176.300 0.125 0.000 0.997 259 D CA 1.560 55.621 54.000 0.102 0.000 0.834 259 D CB -0.517 40.328 40.800 0.077 0.000 0.956 259 D HN 0.302 nan 8.370 nan 0.000 0.448 260 L N 1.193 122.476 121.223 0.101 0.000 2.013 260 L HA -0.164 4.177 4.340 0.002 0.000 0.212 260 L C 2.216 179.188 176.870 0.170 0.000 1.073 260 L CA 2.104 57.017 54.840 0.123 0.000 0.753 260 L CB -1.002 41.107 42.059 0.083 0.000 0.890 260 L HN -0.003 nan 8.230 nan 0.000 0.432 261 A N -0.075 122.823 122.820 0.130 0.000 1.933 261 A HA -0.248 4.074 4.320 0.002 0.000 0.218 261 A C 2.257 179.899 177.584 0.098 0.000 1.175 261 A CA 1.973 54.078 52.037 0.113 0.000 0.628 261 A CB -0.626 18.438 19.000 0.106 0.000 0.814 261 A HN 0.694 nan 8.150 nan 0.000 0.444 262 K N -1.924 118.541 120.400 0.108 0.000 2.103 262 K HA -0.161 4.161 4.320 0.002 0.000 0.204 262 K C 2.006 178.648 176.600 0.070 0.000 1.052 262 K CA 1.493 57.828 56.287 0.081 0.000 0.945 262 K CB -0.614 31.941 32.500 0.091 0.000 0.722 262 K HN 0.400 nan 8.250 nan 0.000 0.443 263 Y N 2.083 122.394 120.300 0.018 0.000 2.097 263 Y HA -0.176 4.376 4.550 0.002 0.000 0.282 263 Y C 1.981 177.872 175.900 -0.015 0.000 1.152 263 Y CA 1.636 59.739 58.100 0.005 0.000 1.136 263 Y CB -0.199 38.268 38.460 0.011 0.000 0.975 263 Y HN -0.047 nan 8.280 nan 0.000 0.498 264 I N -0.735 119.876 120.570 0.070 0.000 2.151 264 I HA -0.436 3.735 4.170 0.002 0.000 0.243 264 I C 2.475 178.489 176.117 -0.172 0.000 1.080 264 I CA 1.604 62.869 61.300 -0.059 0.000 1.339 264 I CB -0.652 37.368 38.000 0.034 0.000 1.039 264 I HN 0.380 nan 8.210 nan 0.000 0.409 265 c N 0.484 119.024 118.600 -0.100 0.000 2.419 265 c HA -0.125 4.446 4.570 0.002 0.000 0.281 265 c C 2.581 176.594 174.090 -0.127 0.000 1.336 265 c CA 0.733 57.005 56.329 -0.095 0.000 1.770 265 c CB -1.163 41.324 42.510 -0.040 0.000 1.929 265 c HN 0.502 nan 8.230 nan 0.000 0.509 266 E N 0.690 120.787 120.200 -0.172 0.000 2.072 266 E HA -0.098 4.253 4.350 0.002 0.000 0.190 266 E C 1.145 177.614 176.600 -0.218 0.000 0.982 266 E CA 0.872 57.168 56.400 -0.174 0.000 0.803 266 E CB -0.264 29.331 29.700 -0.175 0.000 0.755 266 E HN 0.746 nan 8.360 nan 0.000 0.453 267 N N 1.216 119.710 118.700 -0.344 0.000 2.313 267 N HA -0.025 4.716 4.740 0.002 0.000 0.207 267 N C 1.379 176.750 175.510 -0.232 0.000 1.141 267 N CA -0.251 52.615 53.050 -0.307 0.000 0.830 267 N CB 0.263 38.477 38.487 -0.454 0.000 1.008 267 N HN 0.155 nan 8.380 nan 0.000 0.481 268 Q N 1.628 121.307 119.800 -0.202 0.000 2.103 268 Q HA -0.292 4.049 4.340 0.002 0.000 0.213 268 Q C 0.617 176.526 176.000 -0.151 0.000 1.008 268 Q CA 2.162 57.860 55.803 -0.175 0.000 0.879 268 Q CB 0.018 28.679 28.738 -0.128 0.000 0.946 268 Q HN 0.306 nan 8.270 nan 0.000 0.413 269 D N -0.562 119.769 120.400 -0.114 0.000 2.133 269 D HA -0.166 4.475 4.640 0.002 0.000 0.195 269 D C 1.892 178.142 176.300 -0.082 0.000 0.997 269 D CA 1.569 55.518 54.000 -0.085 0.000 0.840 269 D CB -0.313 40.447 40.800 -0.065 0.000 0.947 269 D HN 0.242 nan 8.370 nan 0.000 0.452 270 S N -1.040 114.603 115.700 -0.094 0.000 2.453 270 S HA -0.001 4.470 4.470 0.002 0.000 0.231 270 S C 0.845 175.396 174.600 -0.082 0.000 1.005 270 S CA 0.248 58.405 58.200 -0.072 0.000 0.949 270 S CB -0.057 63.100 63.200 -0.071 0.000 0.774 270 S HN 0.120 nan 8.310 nan 0.000 0.510 271 I N 0.023 120.498 120.570 -0.158 0.000 3.217 271 I HA 0.332 4.503 4.170 0.002 0.000 0.308 271 I C 0.827 176.781 176.117 -0.272 0.000 1.091 271 I CA -1.038 60.102 61.300 -0.266 0.000 1.013 271 I CB 1.079 38.807 38.000 -0.453 0.000 1.250 271 I HN -0.010 nan 8.210 nan 0.000 0.496 272 S N 0.830 116.300 115.700 -0.384 0.000 2.546 272 S HA -0.136 4.335 4.470 0.002 0.000 0.298 272 S C 1.175 175.710 174.600 -0.108 0.000 1.277 272 S CA 0.641 58.758 58.200 -0.139 0.000 1.033 272 S CB 0.253 63.439 63.200 -0.024 0.000 0.760 272 S HN 0.806 nan 8.310 nan 0.000 0.488 273 S N 2.595 118.273 115.700 -0.036 0.000 2.503 273 S HA 0.194 4.666 4.470 0.002 0.000 0.215 273 S C 1.075 175.661 174.600 -0.024 0.000 1.003 273 S CA -0.194 57.984 58.200 -0.036 0.000 0.910 273 S CB -0.054 63.133 63.200 -0.021 0.000 0.790 273 S HN 0.749 nan 8.310 nan 0.000 0.514 274 K N 1.381 121.780 120.400 -0.001 0.000 2.505 274 K HA 0.261 4.583 4.320 0.002 0.000 0.192 274 K C 0.579 177.182 176.600 0.005 0.000 1.025 274 K CA 0.133 56.425 56.287 0.009 0.000 1.086 274 K CB -0.308 32.211 32.500 0.031 0.000 0.840 274 K HN 0.465 nan 8.250 nan 0.000 0.514 275 L N 0.681 121.893 121.223 -0.019 0.000 2.660 275 L HA 0.006 4.347 4.340 0.002 0.000 0.238 275 L C 1.649 178.503 176.870 -0.027 0.000 1.161 275 L CA -0.068 54.756 54.840 -0.026 0.000 0.937 275 L CB -0.430 41.582 42.059 -0.078 0.000 1.122 275 L HN 0.008 nan 8.230 nan 0.000 0.435 276 K N 1.611 121.998 120.400 -0.023 0.000 1.970 276 K HA -0.224 4.097 4.320 0.002 0.000 0.225 276 K C 1.887 178.478 176.600 -0.015 0.000 1.045 276 K CA 2.252 58.526 56.287 -0.020 0.000 1.002 276 K CB -0.536 31.954 32.500 -0.017 0.000 0.743 276 K HN 0.531 nan 8.250 nan 0.000 0.445 277 E N 0.574 120.767 120.200 -0.012 0.000 2.070 277 E HA -0.219 4.133 4.350 0.002 0.000 0.197 277 E C 2.410 179.007 176.600 -0.005 0.000 1.004 277 E CA 1.696 58.091 56.400 -0.009 0.000 0.805 277 E CB -0.877 28.817 29.700 -0.010 0.000 0.744 277 E HN 0.232 nan 8.360 nan 0.000 0.451 278 c N 1.016 119.612 118.600 -0.006 0.000 2.385 278 c HA -0.201 4.371 4.570 0.002 0.000 0.275 278 c C 2.863 176.958 174.090 0.008 0.000 1.199 278 c CA 0.910 57.240 56.329 0.001 0.000 1.782 278 c CB -1.137 41.375 42.510 0.003 0.000 2.068 278 c HN 0.656 nan 8.230 nan 0.000 0.471 279 c N -0.404 118.196 118.600 -0.000 0.000 2.522 279 c HA 0.003 4.574 4.570 0.002 0.000 0.271 279 c C 2.163 176.256 174.090 0.005 0.000 1.425 279 c CA 0.646 56.975 56.329 0.000 0.000 1.751 279 c CB -1.534 40.965 42.510 -0.018 0.000 1.775 279 c HN 0.654 nan 8.230 nan 0.000 0.557 280 E N 0.148 120.351 120.200 0.005 0.000 2.498 280 E HA 0.098 4.450 4.350 0.002 0.000 0.203 280 E C 0.571 177.180 176.600 0.015 0.000 1.013 280 E CA -0.020 56.385 56.400 0.007 0.000 0.927 280 E CB 0.305 30.006 29.700 0.002 0.000 1.012 280 E HN 0.544 nan 8.360 nan 0.000 0.482 281 K N 1.797 122.209 120.400 0.020 0.000 2.138 281 K HA 0.194 4.515 4.320 0.002 0.000 0.251 281 K C -2.308 174.318 176.600 0.042 0.000 1.015 281 K CA -1.807 54.498 56.287 0.030 0.000 0.917 281 K CB 0.440 32.958 32.500 0.031 0.000 1.021 281 K HN 0.013 nan 8.250 nan 0.000 0.485 282 P HA -0.075 nan 4.420 nan 0.000 0.270 282 P C 0.711 178.057 177.300 0.075 0.000 1.223 282 P CA -0.156 62.976 63.100 0.054 0.000 0.785 282 P CB 0.579 32.310 31.700 0.052 0.000 0.923 283 L N 2.331 123.592 121.223 0.062 0.000 2.085 283 L HA -0.246 4.095 4.340 0.002 0.000 0.218 283 L C 2.204 179.142 176.870 0.114 0.000 1.080 283 L CA 1.986 56.871 54.840 0.074 0.000 0.776 283 L CB -1.258 40.826 42.059 0.042 0.000 0.891 283 L HN 0.296 nan 8.230 nan 0.000 0.437 284 L N -0.930 120.365 121.223 0.121 0.000 2.275 284 L HA -0.140 4.201 4.340 0.002 0.000 0.215 284 L C 2.208 179.315 176.870 0.395 0.000 1.119 284 L CA 1.739 56.684 54.840 0.176 0.000 0.790 284 L CB -0.454 41.670 42.059 0.109 0.000 0.919 284 L HN 0.465 nan 8.230 nan 0.000 0.443 285 E N -2.081 118.316 120.200 0.329 0.000 2.413 285 E HA -0.034 4.317 4.350 0.002 0.000 0.203 285 E C 1.767 178.476 176.600 0.182 0.000 0.957 285 E CA -0.183 56.391 56.400 0.289 0.000 0.950 285 E CB 0.176 29.936 29.700 0.100 0.000 0.957 285 E HN 0.285 nan 8.360 nan 0.000 0.497 286 K N 1.268 121.757 120.400 0.149 0.000 2.049 286 K HA -0.279 4.042 4.320 0.002 0.000 0.219 286 K C 2.485 179.154 176.600 0.114 0.000 1.056 286 K CA 2.426 58.777 56.287 0.107 0.000 0.946 286 K CB -0.291 32.267 32.500 0.096 0.000 0.723 286 K HN 0.126 nan 8.250 nan 0.000 0.453 287 S N -0.137 115.659 115.700 0.159 0.000 2.356 287 S HA -0.241 4.231 4.470 0.002 0.000 0.223 287 S C 1.998 176.682 174.600 0.140 0.000 1.032 287 S CA 1.770 60.058 58.200 0.146 0.000 1.005 287 S CB -0.713 62.581 63.200 0.156 0.000 0.867 287 S HN 0.532 nan 8.310 nan 0.000 0.449 288 H N 0.296 119.435 119.070 0.115 0.000 2.426 288 H HA -0.092 4.465 4.556 0.003 0.000 0.298 288 H C 2.334 177.629 175.328 -0.055 0.000 1.107 288 H CA 1.743 57.816 56.048 0.042 0.000 1.298 288 H CB -0.934 28.805 29.762 -0.037 0.000 1.377 288 H HN 0.563 nan 8.280 nan 0.000 0.519 289 c N -0.292 118.248 118.600 -0.100 0.000 2.489 289 c HA -0.015 4.556 4.570 0.002 0.000 0.279 289 c C 2.771 176.809 174.090 -0.087 0.000 1.266 289 c CA 0.754 57.002 56.329 -0.135 0.000 1.707 289 c CB -1.249 41.238 42.510 -0.038 0.000 2.059 289 c HN 0.714 nan 8.230 nan 0.000 0.481 290 I N 1.750 122.318 120.570 -0.004 0.000 2.194 290 I HA -0.228 3.943 4.170 0.002 0.000 0.246 290 I C 2.853 178.996 176.117 0.044 0.000 1.093 290 I CA 1.795 63.127 61.300 0.055 0.000 1.355 290 I CB -0.846 37.212 38.000 0.096 0.000 1.046 290 I HN 0.438 nan 8.210 nan 0.000 0.413 291 A N 0.448 123.263 122.820 -0.008 0.000 1.978 291 A HA -0.214 4.107 4.320 0.002 0.000 0.220 291 A C 2.037 179.575 177.584 -0.076 0.000 1.170 291 A CA 1.799 53.820 52.037 -0.026 0.000 0.636 291 A CB -0.459 18.518 19.000 -0.038 0.000 0.810 291 A HN 0.565 nan 8.150 nan 0.000 0.448 292 E N -0.869 119.246 120.200 -0.142 0.000 2.498 292 E HA 0.199 4.550 4.350 0.002 0.000 0.203 292 E C 0.050 176.602 176.600 -0.081 0.000 1.013 292 E CA -0.365 55.956 56.400 -0.132 0.000 0.927 292 E CB 0.409 29.984 29.700 -0.209 0.000 1.012 292 E HN 0.295 nan 8.360 nan 0.000 0.482 293 V N 2.376 122.266 119.914 -0.041 0.000 2.843 293 V HA -0.127 3.994 4.120 0.002 0.000 0.305 293 V C 0.456 176.546 176.094 -0.007 0.000 1.120 293 V CA 0.652 62.953 62.300 0.002 0.000 1.254 293 V CB 0.633 32.506 31.823 0.084 0.000 0.901 293 V HN 0.142 nan 8.190 nan 0.000 0.503 294 E N 4.149 124.346 120.200 -0.006 0.000 2.391 294 E HA 0.148 4.500 4.350 0.002 0.000 0.255 294 E C -0.188 176.408 176.600 -0.007 0.000 1.187 294 E CA -0.529 55.859 56.400 -0.019 0.000 0.941 294 E CB 0.314 30.003 29.700 -0.019 0.000 1.010 294 E HN 0.750 nan 8.360 nan 0.000 0.458 295 N N 2.145 120.823 118.700 -0.037 0.000 2.458 295 N HA -0.038 4.704 4.740 0.002 0.000 0.258 295 N C -0.362 175.150 175.510 0.005 0.000 1.219 295 N CA 0.247 53.273 53.050 -0.039 0.000 0.902 295 N CB 0.340 38.784 38.487 -0.073 0.000 1.076 295 N HN 0.412 nan 8.380 nan 0.000 0.455 296 D N 0.653 121.084 120.400 0.050 0.000 2.358 296 D HA 0.058 4.700 4.640 0.002 0.000 0.244 296 D C -0.158 176.142 176.300 0.001 0.000 1.163 296 D CA -0.103 53.925 54.000 0.047 0.000 0.945 296 D CB 0.750 41.604 40.800 0.091 0.000 1.152 296 D HN 0.300 nan 8.370 nan 0.000 0.451 297 E N 0.242 120.435 120.200 -0.011 0.000 2.390 297 E HA 0.174 4.526 4.350 0.002 0.000 0.261 297 E C -0.040 176.536 176.600 -0.041 0.000 1.076 297 E CA -0.243 56.136 56.400 -0.034 0.000 0.905 297 E CB 0.849 30.529 29.700 -0.033 0.000 0.984 297 E HN 0.438 nan 8.360 nan 0.000 0.427 298 M N 0.948 120.507 119.600 -0.068 0.000 2.277 298 M HA 0.327 4.808 4.480 0.002 0.000 0.350 298 M C -2.097 174.161 176.300 -0.070 0.000 1.180 298 M CA -1.708 53.542 55.300 -0.082 0.000 1.103 298 M CB 0.760 33.280 32.600 -0.133 0.000 1.577 298 M HN 0.084 nan 8.290 nan 0.000 0.459 299 P HA -0.286 nan 4.420 nan 0.000 0.219 299 P C 0.954 178.223 177.300 -0.050 0.000 1.151 299 P CA 3.115 66.188 63.100 -0.044 0.000 0.850 299 P CB -0.016 31.662 31.700 -0.036 0.000 0.784 300 A N -1.163 121.615 122.820 -0.070 0.000 4.284 300 A HA -0.263 4.059 4.320 0.002 0.000 0.264 300 A C 1.017 178.568 177.584 -0.054 0.000 0.856 300 A CA 1.833 53.830 52.037 -0.067 0.000 1.165 300 A CB -2.590 16.377 19.000 -0.055 0.000 1.059 300 A HN 0.512 nan 8.150 nan 0.000 0.803 301 D N -0.022 120.352 120.400 -0.043 0.000 3.071 301 D HA 0.450 5.091 4.640 0.002 0.000 0.259 301 D C 0.016 176.297 176.300 -0.031 0.000 1.331 301 D CA -0.136 53.846 54.000 -0.031 0.000 0.861 301 D CB -0.235 40.554 40.800 -0.019 0.000 1.059 301 D HN 0.599 nan 8.370 nan 0.000 0.486 302 L N 0.871 122.066 121.223 -0.048 0.000 2.317 302 L HA 0.398 4.740 4.340 0.002 0.000 0.281 302 L C -1.541 175.304 176.870 -0.042 0.000 1.024 302 L CA -1.682 53.128 54.840 -0.049 0.000 0.810 302 L CB 1.290 43.298 42.059 -0.085 0.000 1.240 302 L HN -0.146 nan 8.230 nan 0.000 0.427 303 P HA 0.066 nan 4.420 nan 0.000 0.293 303 P C -0.740 176.555 177.300 -0.009 0.000 1.285 303 P CA -0.370 62.727 63.100 -0.006 0.000 0.775 303 P CB 0.397 32.106 31.700 0.015 0.000 1.351 304 S N -1.589 114.120 115.700 0.015 0.000 2.578 304 S HA 0.327 4.799 4.470 0.002 0.000 0.301 304 S C 0.948 175.601 174.600 0.089 0.000 1.091 304 S CA -0.749 57.469 58.200 0.030 0.000 1.032 304 S CB 0.240 63.453 63.200 0.022 0.000 1.064 304 S HN 0.311 nan 8.310 nan 0.000 0.508 305 L N 3.145 124.460 121.223 0.153 0.000 2.109 305 L HA 0.067 4.409 4.340 0.002 0.000 0.207 305 L C 2.834 179.909 176.870 0.342 0.000 1.086 305 L CA 1.310 56.356 54.840 0.342 0.000 0.760 305 L CB -0.769 41.515 42.059 0.375 0.000 0.910 305 L HN 0.857 nan 8.230 nan 0.000 0.437 306 A N 0.344 123.160 122.820 -0.007 0.000 2.024 306 A HA -0.197 4.124 4.320 0.002 0.000 0.220 306 A C 2.540 180.086 177.584 -0.062 0.000 1.164 306 A CA 1.686 53.554 52.037 -0.280 0.000 0.643 306 A CB -0.572 18.155 19.000 -0.456 0.000 0.806 306 A HN 0.412 nan 8.150 nan 0.000 0.451 307 A N 0.160 122.982 122.820 0.002 0.000 1.851 307 A HA -0.217 4.105 4.320 0.002 0.000 0.216 307 A C 1.804 179.382 177.584 -0.010 0.000 1.195 307 A CA 1.873 53.913 52.037 0.006 0.000 0.622 307 A CB -0.548 18.462 19.000 0.017 0.000 0.831 307 A HN 0.483 nan 8.150 nan 0.000 0.444 308 D N -1.863 118.511 120.400 -0.043 0.000 2.289 308 D HA 0.062 4.704 4.640 0.002 0.000 0.207 308 D C 1.107 177.140 176.300 -0.445 0.000 0.966 308 D CA 0.815 54.661 54.000 -0.257 0.000 0.868 308 D CB -0.057 40.487 40.800 -0.426 0.000 0.943 308 D HN 0.515 nan 8.370 nan 0.000 0.514 309 F N -0.373 119.652 119.950 0.126 0.000 2.720 309 F HA 0.089 4.618 4.527 0.003 0.000 0.301 309 F C 1.955 177.824 175.800 0.115 0.000 1.103 309 F CA 0.006 58.119 58.000 0.188 0.000 1.291 309 F CB 0.597 39.740 39.000 0.238 0.000 1.086 309 F HN -0.210 nan 8.300 nan 0.000 0.592 310 V N -1.727 118.251 119.914 0.107 0.000 3.137 310 V HA 0.064 4.185 4.120 0.002 0.000 0.236 310 V C 0.385 176.489 176.094 0.016 0.000 1.260 310 V CA -0.007 62.321 62.300 0.047 0.000 1.244 310 V CB 0.050 31.769 31.823 -0.174 0.000 1.016 310 V HN -0.061 nan 8.190 nan 0.000 0.477 311 E N 1.888 122.072 120.200 -0.027 0.000 1.774 311 E HA 0.117 4.468 4.350 0.002 0.000 0.265 311 E C 0.866 177.495 176.600 0.047 0.000 1.207 311 E CA -0.012 56.385 56.400 -0.005 0.000 1.054 311 E CB -0.015 29.725 29.700 0.067 0.000 1.074 311 E HN 0.362 nan 8.360 nan 0.000 0.433 312 S N 2.532 118.199 115.700 -0.056 0.000 2.524 312 S HA -0.246 4.225 4.470 0.002 0.000 0.287 312 S C 0.403 175.116 174.600 0.188 0.000 0.963 312 S CA 0.917 59.218 58.200 0.170 0.000 0.959 312 S CB -0.485 62.821 63.200 0.177 0.000 0.722 312 S HN 0.432 nan 8.310 nan 0.000 0.528 313 K N 2.450 122.931 120.400 0.136 0.000 2.160 313 K HA 0.003 4.324 4.320 0.002 0.000 0.263 313 K C 0.076 176.716 176.600 0.067 0.000 1.120 313 K CA 0.509 56.853 56.287 0.096 0.000 1.115 313 K CB -0.614 31.925 32.500 0.065 0.000 0.971 313 K HN 0.539 nan 8.250 nan 0.000 0.400 314 D N -0.360 120.083 120.400 0.071 0.000 2.735 314 D HA -0.190 4.451 4.640 0.002 0.000 0.235 314 D C 0.248 176.545 176.300 -0.005 0.000 1.175 314 D CA 0.371 54.392 54.000 0.035 0.000 0.683 314 D CB -1.640 39.169 40.800 0.015 0.000 1.008 314 D HN 0.195 nan 8.370 nan 0.000 0.416 315 V N -0.331 119.592 119.914 0.015 0.000 2.331 315 V HA -0.223 3.899 4.120 0.002 0.000 0.242 315 V C 2.605 178.555 176.094 -0.240 0.000 1.034 315 V CA 1.556 63.811 62.300 -0.076 0.000 1.027 315 V CB -0.116 31.678 31.823 -0.048 0.000 0.667 315 V HN 0.822 nan 8.190 nan 0.000 0.457 316 c N 0.487 119.033 118.600 -0.090 0.000 2.432 316 c HA -0.073 4.499 4.570 0.002 0.000 0.280 316 c C 2.694 176.739 174.090 -0.075 0.000 1.353 316 c CA 1.152 57.450 56.329 -0.052 0.000 1.766 316 c CB -0.919 41.624 42.510 0.055 0.000 1.924 316 c HN 0.680 nan 8.230 nan 0.000 0.509 317 K N 1.657 122.010 120.400 -0.078 0.000 2.288 317 K HA -0.026 4.295 4.320 0.002 0.000 0.201 317 K C 1.232 177.752 176.600 -0.134 0.000 1.048 317 K CA 1.659 57.902 56.287 -0.074 0.000 0.956 317 K CB -0.696 31.782 32.500 -0.036 0.000 0.746 317 K HN 0.596 nan 8.250 nan 0.000 0.461 318 N N -1.258 117.294 118.700 -0.247 0.000 2.409 318 N HA -0.052 4.690 4.740 0.002 0.000 0.174 318 N C 1.112 176.312 175.510 -0.516 0.000 1.037 318 N CA 0.388 53.242 53.050 -0.327 0.000 0.898 318 N CB -0.097 38.200 38.487 -0.317 0.000 1.010 318 N HN 0.169 nan 8.380 nan 0.000 0.445 319 Y N 1.778 121.543 120.300 -0.891 0.000 2.286 319 Y HA 0.111 4.663 4.550 0.005 0.000 0.293 319 Y C 2.200 177.945 175.900 -0.259 0.000 1.124 319 Y CA 1.013 58.691 58.100 -0.704 0.000 1.178 319 Y CB -0.282 37.797 38.460 -0.634 0.000 1.010 319 Y HN -0.040 nan 8.280 nan 0.000 0.536 320 A N 0.084 122.729 122.820 -0.290 0.000 2.014 320 A HA -0.128 4.194 4.320 0.002 0.000 0.218 320 A C 2.157 179.614 177.584 -0.212 0.000 1.163 320 A CA 1.332 53.189 52.037 -0.300 0.000 0.652 320 A CB -0.786 18.128 19.000 -0.143 0.000 0.808 320 A HN 0.623 nan 8.150 nan 0.000 0.449 321 E N -0.377 119.729 120.200 -0.156 0.000 2.204 321 E HA 0.052 4.403 4.350 0.002 0.000 0.195 321 E C 0.289 176.849 176.600 -0.066 0.000 0.990 321 E CA 0.918 57.265 56.400 -0.089 0.000 0.821 321 E CB -0.073 29.591 29.700 -0.060 0.000 0.750 321 E HN 0.519 nan 8.360 nan 0.000 0.477 322 A N 0.259 123.029 122.820 -0.084 0.000 2.601 322 A HA 0.170 4.492 4.320 0.002 0.000 0.292 322 A C 0.160 177.732 177.584 -0.020 0.000 1.284 322 A CA -0.602 51.421 52.037 -0.024 0.000 0.893 322 A CB 0.322 19.357 19.000 0.059 0.000 1.440 322 A HN 0.055 nan 8.150 nan 0.000 0.510 323 K N 0.310 120.602 120.400 -0.180 0.000 2.020 323 K HA -0.198 4.124 4.320 0.002 0.000 0.212 323 K C 0.859 177.544 176.600 0.141 0.000 1.050 323 K CA 2.094 58.229 56.287 -0.254 0.000 0.929 323 K CB 0.039 32.258 32.500 -0.469 0.000 0.714 323 K HN 0.657 nan 8.250 nan 0.000 0.443 324 D N 0.347 120.821 120.400 0.123 0.000 2.144 324 D HA -0.097 4.544 4.640 0.002 0.000 0.200 324 D C 2.025 178.477 176.300 0.253 0.000 0.978 324 D CA 0.778 54.892 54.000 0.190 0.000 0.833 324 D CB -0.175 40.709 40.800 0.141 0.000 0.961 324 D HN -0.063 nan 8.370 nan 0.000 0.470 325 V N 0.935 120.999 119.914 0.250 0.000 2.295 325 V HA -0.239 3.882 4.120 0.002 0.000 0.246 325 V C 2.189 178.459 176.094 0.294 0.000 1.049 325 V CA 1.285 63.770 62.300 0.308 0.000 1.024 325 V CB -0.575 31.413 31.823 0.275 0.000 0.648 325 V HN 0.074 nan 8.190 nan 0.000 0.447 326 F N 0.287 120.346 119.950 0.183 0.000 2.075 326 F HA -0.172 4.355 4.527 0.001 0.000 0.297 326 F C 2.137 178.136 175.800 0.333 0.000 1.113 326 F CA 1.670 59.818 58.000 0.247 0.000 1.218 326 F CB -0.358 38.835 39.000 0.322 0.000 0.984 326 F HN -0.013 nan 8.300 nan 0.000 0.472 327 L N -0.388 121.107 121.223 0.454 0.000 2.127 327 L HA -0.182 4.159 4.340 0.002 0.000 0.211 327 L C 2.693 179.717 176.870 0.257 0.000 1.089 327 L CA 1.295 56.339 54.840 0.340 0.000 0.757 327 L CB -1.467 40.792 42.059 0.334 0.000 0.899 327 L HN 0.365 nan 8.230 nan 0.000 0.434 328 G N -0.678 108.268 108.800 0.243 0.000 2.421 328 G HA2 -0.293 3.668 3.960 0.002 0.000 0.216 328 G HA3 -0.293 3.668 3.960 0.002 0.000 0.216 328 G C 1.630 176.612 174.900 0.136 0.000 1.171 328 G CA 0.550 45.814 45.100 0.273 0.000 0.775 328 G HN 0.183 nan 8.290 nan 0.000 0.543 329 M N -0.703 118.772 119.600 -0.209 0.000 2.149 329 M HA 0.022 4.504 4.480 0.002 0.000 0.261 329 M C 2.202 178.443 176.300 -0.097 0.000 1.064 329 M CA 1.160 56.184 55.300 -0.459 0.000 1.102 329 M CB -0.192 32.139 32.600 -0.449 0.000 1.369 329 M HN 0.288 nan 8.290 nan 0.000 0.408 330 F N 0.756 120.529 119.950 -0.294 0.000 2.069 330 F HA -0.249 4.279 4.527 0.001 0.000 0.298 330 F C 1.796 177.383 175.800 -0.355 0.000 1.113 330 F CA 1.747 59.358 58.000 -0.648 0.000 1.214 330 F CB -0.519 38.192 39.000 -0.482 0.000 0.978 330 F HN -0.005 nan 8.300 nan 0.000 0.474 331 L N -0.954 120.173 121.223 -0.159 0.000 2.012 331 L HA -0.283 4.058 4.340 0.002 0.000 0.210 331 L C 2.474 179.266 176.870 -0.129 0.000 1.073 331 L CA 1.895 56.624 54.840 -0.183 0.000 0.748 331 L CB -0.971 41.082 42.059 -0.010 0.000 0.891 331 L HN 0.338 nan 8.230 nan 0.000 0.431 332 Y N 0.919 121.158 120.300 -0.103 0.000 2.097 332 Y HA -0.308 4.243 4.550 0.002 0.000 0.282 332 Y C 2.593 178.420 175.900 -0.122 0.000 1.152 332 Y CA 1.864 59.950 58.100 -0.024 0.000 1.136 332 Y CB -0.203 38.362 38.460 0.175 0.000 0.975 332 Y HN 0.136 nan 8.280 nan 0.000 0.498 333 E N -0.578 119.443 120.200 -0.298 0.000 2.058 333 E HA -0.255 4.096 4.350 0.002 0.000 0.194 333 E C 2.162 178.475 176.600 -0.478 0.000 0.997 333 E CA 1.708 57.849 56.400 -0.432 0.000 0.801 333 E CB -1.014 28.528 29.700 -0.263 0.000 0.746 333 E HN 0.629 nan 8.360 nan 0.000 0.450 334 Y N 0.937 120.835 120.300 -0.670 0.000 2.242 334 Y HA -0.114 4.439 4.550 0.004 0.000 0.291 334 Y C 2.295 177.958 175.900 -0.395 0.000 1.137 334 Y CA 1.098 58.830 58.100 -0.613 0.000 1.181 334 Y CB -0.417 37.451 38.460 -0.988 0.000 0.989 334 Y HN 0.028 nan 8.280 nan 0.000 0.527 335 A N 0.917 123.626 122.820 -0.186 0.000 1.877 335 A HA -0.222 4.100 4.320 0.002 0.000 0.216 335 A C 2.239 179.692 177.584 -0.218 0.000 1.186 335 A CA 1.977 53.911 52.037 -0.172 0.000 0.620 335 A CB -0.708 18.182 19.000 -0.183 0.000 0.822 335 A HN 0.585 nan 8.150 nan 0.000 0.443 336 R N -0.669 119.644 120.500 -0.312 0.000 2.285 336 R HA 0.027 4.368 4.340 0.002 0.000 0.213 336 R C 1.617 177.724 176.300 -0.321 0.000 1.068 336 R CA 1.224 57.135 56.100 -0.316 0.000 1.004 336 R CB -0.276 29.777 30.300 -0.411 0.000 0.873 336 R HN 0.434 nan 8.270 nan 0.000 0.467 337 R N -0.072 120.207 120.500 -0.369 0.000 2.300 337 R HA 0.128 4.469 4.340 0.002 0.000 0.199 337 R C 0.002 175.841 176.300 -0.770 0.000 0.920 337 R CA 0.303 56.103 56.100 -0.500 0.000 1.046 337 R CB 0.335 30.318 30.300 -0.528 0.000 0.984 337 R HN 0.349 nan 8.270 nan 0.000 0.493 338 H N -0.140 118.692 119.070 -0.396 0.000 2.448 338 H HA 0.185 4.744 4.556 0.006 0.000 0.237 338 H C -2.171 172.947 175.328 -0.350 0.000 1.391 338 H CA -1.823 53.925 56.048 -0.499 0.000 1.477 338 H CB 1.671 30.896 29.762 -0.896 0.000 1.520 338 H HN -0.047 nan 8.280 nan 0.000 0.502 339 P HA -0.083 nan 4.420 nan 0.000 0.233 339 P C 1.160 178.410 177.300 -0.082 0.000 1.167 339 P CA 0.745 63.761 63.100 -0.139 0.000 0.770 339 P CB 0.345 31.964 31.700 -0.136 0.000 0.837 340 D N -2.772 117.583 120.400 -0.075 0.000 2.349 340 D HA -0.088 4.553 4.640 0.002 0.000 0.215 340 D C 0.278 176.691 176.300 0.187 0.000 1.016 340 D CA 0.305 54.320 54.000 0.025 0.000 0.870 340 D CB -0.552 40.265 40.800 0.029 0.000 0.917 340 D HN 0.095 nan 8.370 nan 0.000 0.524 341 Y N 1.836 122.124 120.300 -0.021 0.000 2.335 341 Y HA 0.346 4.900 4.550 0.007 0.000 0.323 341 Y C 1.266 177.106 175.900 -0.101 0.000 1.224 341 Y CA -2.405 55.650 58.100 -0.075 0.000 1.241 341 Y CB 1.205 39.590 38.460 -0.125 0.000 1.235 341 Y HN -0.123 nan 8.280 nan 0.000 0.492 342 S N -0.159 115.566 115.700 0.043 0.000 2.603 342 S HA 0.254 4.725 4.470 0.002 0.000 0.268 342 S C 0.957 175.516 174.600 -0.069 0.000 1.317 342 S CA -0.729 57.455 58.200 -0.026 0.000 1.012 342 S CB 1.075 64.250 63.200 -0.040 0.000 0.926 342 S HN 0.383 nan 8.310 nan 0.000 0.539 343 V N 1.879 121.726 119.914 -0.112 0.000 2.343 343 V HA -0.185 3.937 4.120 0.002 0.000 0.247 343 V C 2.595 178.607 176.094 -0.138 0.000 1.051 343 V CA 1.957 64.135 62.300 -0.204 0.000 1.036 343 V CB -1.296 30.290 31.823 -0.395 0.000 0.654 343 V HN 0.886 nan 8.190 nan 0.000 0.451 344 V N -0.867 119.014 119.914 -0.056 0.000 2.332 344 V HA -0.252 3.869 4.120 0.002 0.000 0.248 344 V C 2.396 178.414 176.094 -0.126 0.000 1.055 344 V CA 2.128 64.395 62.300 -0.055 0.000 1.038 344 V CB -1.079 30.729 31.823 -0.025 0.000 0.651 344 V HN 0.481 nan 8.190 nan 0.000 0.450 345 L N -0.062 121.063 121.223 -0.164 0.000 2.046 345 L HA -0.074 4.268 4.340 0.002 0.000 0.208 345 L C 2.307 178.987 176.870 -0.317 0.000 1.077 345 L CA 1.816 56.500 54.840 -0.261 0.000 0.747 345 L CB -0.574 41.270 42.059 -0.359 0.000 0.896 345 L HN 0.260 nan 8.230 nan 0.000 0.432 346 L N -1.313 119.755 121.223 -0.258 0.000 2.083 346 L HA -0.232 4.110 4.340 0.002 0.000 0.209 346 L C 2.485 179.179 176.870 -0.293 0.000 1.083 346 L CA 1.229 55.883 54.840 -0.311 0.000 0.752 346 L CB -0.496 41.428 42.059 -0.225 0.000 0.899 346 L HN 0.317 nan 8.230 nan 0.000 0.433 347 L N -0.836 120.268 121.223 -0.199 0.000 2.056 347 L HA -0.177 4.165 4.340 0.002 0.000 0.207 347 L C 2.808 179.597 176.870 -0.135 0.000 1.078 347 L CA 1.160 55.920 54.840 -0.133 0.000 0.749 347 L CB -0.462 41.547 42.059 -0.084 0.000 0.901 347 L HN 0.194 nan 8.230 nan 0.000 0.433 348 R N 0.019 120.420 120.500 -0.165 0.000 2.096 348 R HA -0.141 4.200 4.340 0.002 0.000 0.235 348 R C 2.266 178.460 176.300 -0.177 0.000 1.127 348 R CA 1.198 57.210 56.100 -0.146 0.000 0.968 348 R CB -0.419 29.789 30.300 -0.153 0.000 0.861 348 R HN 0.328 nan 8.270 nan 0.000 0.440 349 L N 0.042 121.063 121.223 -0.338 0.000 2.005 349 L HA -0.116 4.225 4.340 0.002 0.000 0.207 349 L C 2.753 179.469 176.870 -0.256 0.000 1.072 349 L CA 1.268 55.779 54.840 -0.548 0.000 0.744 349 L CB -0.735 40.629 42.059 -1.159 0.000 0.895 349 L HN 0.209 nan 8.230 nan 0.000 0.433 350 A N 0.319 123.067 122.820 -0.120 0.000 1.948 350 A HA -0.284 4.038 4.320 0.002 0.000 0.220 350 A C 2.314 179.941 177.584 0.071 0.000 1.177 350 A CA 2.279 54.394 52.037 0.129 0.000 0.636 350 A CB -0.449 18.623 19.000 0.120 0.000 0.815 350 A HN 0.277 nan 8.150 nan 0.000 0.449 351 K N -0.596 119.812 120.400 0.013 0.000 2.025 351 K HA -0.051 4.271 4.320 0.002 0.000 0.207 351 K C 1.976 178.597 176.600 0.035 0.000 1.049 351 K CA 2.198 58.495 56.287 0.018 0.000 0.933 351 K CB -1.012 31.482 32.500 -0.010 0.000 0.714 351 K HN 0.340 nan 8.250 nan 0.000 0.438 352 T N 0.239 114.830 114.554 0.061 0.000 2.720 352 T HA -0.160 4.191 4.350 0.002 0.000 0.268 352 T C 1.344 176.151 174.700 0.178 0.000 1.037 352 T CA 1.571 63.748 62.100 0.127 0.000 1.144 352 T CB -0.546 68.448 68.868 0.210 0.000 0.864 352 T HN 0.298 nan 8.240 nan 0.000 0.444 353 Y N 1.941 122.266 120.300 0.042 0.000 2.181 353 Y HA -0.114 4.435 4.550 -0.002 0.000 0.288 353 Y C 2.468 178.256 175.900 -0.187 0.000 1.146 353 Y CA 1.591 59.627 58.100 -0.107 0.000 1.164 353 Y CB -0.447 37.715 38.460 -0.496 0.000 0.982 353 Y HN 0.307 nan 8.280 nan 0.000 0.515 354 E N -1.000 119.098 120.200 -0.169 0.000 2.058 354 E HA -0.209 4.143 4.350 0.002 0.000 0.194 354 E C 1.961 178.468 176.600 -0.155 0.000 0.997 354 E CA 1.987 58.259 56.400 -0.213 0.000 0.801 354 E CB -0.193 29.493 29.700 -0.023 0.000 0.746 354 E HN 0.463 nan 8.360 nan 0.000 0.450 355 T N 0.206 114.722 114.554 -0.064 0.000 2.720 355 T HA -0.145 4.207 4.350 0.002 0.000 0.268 355 T C 1.844 176.510 174.700 -0.058 0.000 1.037 355 T CA 1.788 63.868 62.100 -0.033 0.000 1.144 355 T CB -0.471 68.397 68.868 -0.000 0.000 0.864 355 T HN 0.259 nan 8.240 nan 0.000 0.444 356 T N 2.528 117.035 114.554 -0.078 0.000 2.622 356 T HA -0.001 4.351 4.350 0.002 0.000 0.266 356 T C 1.979 176.600 174.700 -0.131 0.000 1.047 356 T CA 0.974 63.034 62.100 -0.066 0.000 1.159 356 T CB -0.575 68.279 68.868 -0.023 0.000 0.863 356 T HN 0.236 nan 8.240 nan 0.000 0.422 357 L N 0.918 121.928 121.223 -0.354 0.000 2.129 357 L HA -0.159 4.182 4.340 0.002 0.000 0.212 357 L C 2.857 179.612 176.870 -0.191 0.000 1.087 357 L CA 1.333 55.902 54.840 -0.452 0.000 0.757 357 L CB -0.603 40.823 42.059 -1.056 0.000 0.896 357 L HN 0.293 nan 8.230 nan 0.000 0.434 358 E N 0.103 120.242 120.200 -0.102 0.000 2.046 358 E HA -0.197 4.154 4.350 0.002 0.000 0.190 358 E C 2.014 178.630 176.600 0.027 0.000 0.982 358 E CA 0.962 57.383 56.400 0.035 0.000 0.800 358 E CB -0.033 29.697 29.700 0.049 0.000 0.756 358 E HN 0.359 nan 8.360 nan 0.000 0.449 359 K N -0.141 120.263 120.400 0.006 0.000 2.487 359 K HA 0.022 4.344 4.320 0.002 0.000 0.192 359 K C 1.501 178.117 176.600 0.026 0.000 1.027 359 K CA 0.128 56.425 56.287 0.016 0.000 1.054 359 K CB 0.200 32.707 32.500 0.011 0.000 0.824 359 K HN 0.058 nan 8.250 nan 0.000 0.510 360 c N -1.089 117.534 118.600 0.039 0.000 2.341 360 c HA 0.084 4.656 4.570 0.002 0.000 0.372 360 c C 2.246 176.388 174.090 0.087 0.000 1.430 360 c CA -0.276 56.098 56.329 0.076 0.000 2.316 360 c CB -0.332 42.280 42.510 0.170 0.000 2.416 360 c HN 0.566 nan 8.230 nan 0.000 0.583 361 c N 1.958 120.617 118.600 0.098 0.000 2.409 361 c HA 0.083 4.654 4.570 0.002 0.000 0.305 361 c C 1.787 175.916 174.090 0.066 0.000 1.488 361 c CA 1.111 57.500 56.329 0.100 0.000 1.765 361 c CB -2.159 40.410 42.510 0.100 0.000 1.649 361 c HN 0.668 nan 8.230 nan 0.000 0.581 362 A N -0.322 122.528 122.820 0.050 0.000 3.041 362 A HA 0.727 5.048 4.320 0.002 0.000 0.307 362 A C 0.189 177.787 177.584 0.024 0.000 1.116 362 A CA 0.412 52.469 52.037 0.034 0.000 1.001 362 A CB -0.221 18.798 19.000 0.030 0.000 1.112 362 A HN 0.521 nan 8.150 nan 0.000 0.556 363 A N -0.542 122.291 122.820 0.022 0.000 2.488 363 A HA 0.722 5.043 4.320 0.002 0.000 0.295 363 A C 0.883 178.469 177.584 0.003 0.000 1.045 363 A CA 0.084 52.127 52.037 0.010 0.000 0.703 363 A CB 0.264 19.268 19.000 0.006 0.000 1.271 363 A HN 1.781 nan 8.150 nan 0.000 0.400 364 A N 1.795 124.614 122.820 -0.002 0.000 2.459 364 A HA -0.258 4.063 4.320 0.002 0.000 0.260 364 A C 0.935 178.513 177.584 -0.010 0.000 2.445 364 A CA 2.691 54.724 52.037 -0.006 0.000 1.030 364 A CB -1.258 17.735 19.000 -0.011 0.000 0.575 364 A HN 1.474 nan 8.150 nan 0.000 0.466 365 D N -0.752 119.634 120.400 -0.022 0.000 2.443 365 D HA 0.510 5.152 4.640 0.002 0.000 0.221 365 D C -1.718 174.542 176.300 -0.067 0.000 1.097 365 D CA -1.732 52.248 54.000 -0.033 0.000 0.865 365 D CB 1.103 41.880 40.800 -0.038 0.000 1.034 365 D HN 0.053 nan 8.370 nan 0.000 0.511 366 P HA -0.138 nan 4.420 nan 0.000 0.215 366 P C 0.974 177.912 177.300 -0.603 0.000 1.157 366 P CA 1.003 63.995 63.100 -0.181 0.000 0.863 366 P CB 0.032 31.750 31.700 0.029 0.000 0.787 367 H N -0.231 118.520 119.070 -0.532 0.000 2.444 367 H HA -0.179 4.379 4.556 0.003 0.000 0.294 367 H C 1.341 176.351 175.328 -0.531 0.000 1.125 367 H CA 1.570 57.266 56.048 -0.586 0.000 1.230 367 H CB 0.183 29.818 29.762 -0.211 0.000 1.361 367 H HN 0.089 nan 8.280 nan 0.000 0.508 368 E N -1.118 118.967 120.200 -0.192 0.000 2.452 368 E HA -0.030 4.321 4.350 0.002 0.000 0.197 368 E C 2.145 178.655 176.600 -0.149 0.000 1.022 368 E CA 0.428 56.762 56.400 -0.109 0.000 0.890 368 E CB -0.202 29.467 29.700 -0.050 0.000 0.918 368 E HN 0.493 nan 8.360 nan 0.000 0.496 369 c N 0.978 119.438 118.600 -0.233 0.000 2.486 369 c HA -0.071 4.501 4.570 0.002 0.000 0.279 369 c C 2.149 176.215 174.090 -0.040 0.000 1.302 369 c CA 0.602 56.863 56.329 -0.114 0.000 1.720 369 c CB -0.817 41.647 42.510 -0.075 0.000 2.030 369 c HN 0.495 nan 8.230 nan 0.000 0.490 370 Y N 0.245 120.532 120.300 -0.020 0.000 2.555 370 Y HA 0.659 5.208 4.550 -0.001 0.000 0.259 370 Y C 1.742 177.624 175.900 -0.031 0.000 1.179 370 Y CA -0.153 57.934 58.100 -0.022 0.000 1.230 370 Y CB -1.497 36.948 38.460 -0.025 0.000 1.146 370 Y HN 0.152 nan 8.280 nan 0.000 0.526 371 A N 1.167 123.956 122.820 -0.052 0.000 1.927 371 A HA -0.210 4.112 4.320 0.002 0.000 0.220 371 A C 1.349 178.953 177.584 0.033 0.000 1.185 371 A CA 1.717 53.735 52.037 -0.031 0.000 0.639 371 A CB -0.366 18.620 19.000 -0.024 0.000 0.820 371 A HN 0.244 nan 8.150 nan 0.000 0.451 372 K N -0.318 120.105 120.400 0.038 0.000 2.961 372 K HA 0.419 4.741 4.320 0.002 0.000 0.187 372 K C 0.632 177.240 176.600 0.013 0.000 1.110 372 K CA 0.158 56.460 56.287 0.025 0.000 0.968 372 K CB 0.702 33.211 32.500 0.014 0.000 1.287 372 K HN 0.193 nan 8.250 nan 0.000 0.578 373 V N -0.840 119.096 119.914 0.037 0.000 2.446 373 V HA -0.055 4.067 4.120 0.002 0.000 0.244 373 V C 1.550 177.364 176.094 -0.466 0.000 1.039 373 V CA 0.870 63.097 62.300 -0.122 0.000 1.045 373 V CB -0.672 31.157 31.823 0.010 0.000 0.681 373 V HN 0.290 nan 8.190 nan 0.000 0.459 374 F N 1.443 121.077 119.950 -0.528 0.000 2.449 374 F HA -0.094 4.433 4.527 0.001 0.000 0.299 374 F C 2.093 177.761 175.800 -0.219 0.000 1.092 374 F CA 0.877 58.627 58.000 -0.416 0.000 1.446 374 F CB -0.825 38.181 39.000 0.009 0.000 1.084 374 F HN 0.287 nan 8.300 nan 0.000 0.567 375 D N -0.576 119.809 120.400 -0.025 0.000 2.305 375 D HA -0.070 4.571 4.640 0.002 0.000 0.206 375 D C 1.993 178.273 176.300 -0.034 0.000 0.974 375 D CA 0.379 54.385 54.000 0.011 0.000 0.871 375 D CB 0.119 40.931 40.800 0.020 0.000 0.947 375 D HN 0.277 nan 8.370 nan 0.000 0.516 376 E N 0.444 120.551 120.200 -0.154 0.000 2.106 376 E HA -0.103 4.249 4.350 0.002 0.000 0.192 376 E C 1.944 178.571 176.600 0.045 0.000 0.984 376 E CA 0.538 56.880 56.400 -0.098 0.000 0.806 376 E CB -0.128 29.466 29.700 -0.176 0.000 0.750 376 E HN 0.297 nan 8.360 nan 0.000 0.458 377 F N 1.505 121.450 119.950 -0.009 0.000 2.113 377 F HA -0.065 4.460 4.527 -0.003 0.000 0.297 377 F C 2.390 178.148 175.800 -0.070 0.000 1.103 377 F CA 0.542 58.493 58.000 -0.082 0.000 1.248 377 F CB -1.168 37.746 39.000 -0.143 0.000 0.999 377 F HN -0.026 nan 8.300 nan 0.000 0.475 378 K N 0.658 121.162 120.400 0.173 0.000 2.081 378 K HA -0.248 4.074 4.320 0.002 0.000 0.222 378 K C -0.687 175.937 176.600 0.039 0.000 1.055 378 K CA 2.676 59.020 56.287 0.095 0.000 0.954 378 K CB -1.391 31.158 32.500 0.081 0.000 0.732 378 K HN 0.175 nan 8.250 nan 0.000 0.458 379 P HA -0.127 nan 4.420 nan 0.000 0.226 379 P C 1.254 178.540 177.300 -0.024 0.000 1.153 379 P CA 0.887 63.990 63.100 0.005 0.000 0.777 379 P CB 0.111 31.817 31.700 0.011 0.000 0.794 380 L N -0.468 120.737 121.223 -0.030 0.000 2.109 380 L HA -0.053 4.288 4.340 0.002 0.000 0.207 380 L C 2.649 179.415 176.870 -0.173 0.000 1.086 380 L CA 1.358 56.145 54.840 -0.088 0.000 0.760 380 L CB -1.353 40.654 42.059 -0.086 0.000 0.910 380 L HN -0.183 nan 8.230 nan 0.000 0.437 381 V N -1.017 118.778 119.914 -0.198 0.000 2.488 381 V HA -0.187 3.934 4.120 0.002 0.000 0.246 381 V C 2.304 178.284 176.094 -0.190 0.000 1.046 381 V CA 1.220 63.331 62.300 -0.315 0.000 1.053 381 V CB -0.369 31.283 31.823 -0.285 0.000 0.679 381 V HN 0.444 nan 8.190 nan 0.000 0.458 382 E N -0.325 119.819 120.200 -0.094 0.000 2.107 382 E HA -0.191 4.161 4.350 0.002 0.000 0.191 382 E C 2.279 178.850 176.600 -0.048 0.000 0.982 382 E CA 0.779 57.150 56.400 -0.049 0.000 0.809 382 E CB -0.087 29.604 29.700 -0.016 0.000 0.756 382 E HN 0.532 nan 8.360 nan 0.000 0.459 383 E N 0.897 121.064 120.200 -0.054 0.000 2.033 383 E HA -0.184 4.168 4.350 0.002 0.000 0.199 383 E C -0.630 175.946 176.600 -0.040 0.000 1.011 383 E CA 1.772 58.148 56.400 -0.039 0.000 0.815 383 E CB -0.877 28.798 29.700 -0.041 0.000 0.755 383 E HN 0.191 nan 8.360 nan 0.000 0.451 384 P HA -0.147 nan 4.420 nan 0.000 0.217 384 P C 1.411 178.686 177.300 -0.042 0.000 1.150 384 P CA 1.471 64.536 63.100 -0.059 0.000 0.832 384 P CB -0.215 31.425 31.700 -0.101 0.000 0.787 385 Q N -0.386 119.384 119.800 -0.050 0.000 2.050 385 Q HA -0.141 4.201 4.340 0.002 0.000 0.202 385 Q C 2.159 178.156 176.000 -0.006 0.000 0.980 385 Q CA 1.258 57.049 55.803 -0.021 0.000 0.840 385 Q CB -0.590 28.140 28.738 -0.013 0.000 0.898 385 Q HN 0.297 nan 8.270 nan 0.000 0.424 386 N N 0.809 119.506 118.700 -0.006 0.000 2.166 386 N HA -0.103 4.639 4.740 0.002 0.000 0.186 386 N C 1.849 177.366 175.510 0.012 0.000 1.019 386 N CA 0.881 53.934 53.050 0.005 0.000 0.856 386 N CB -0.244 38.245 38.487 0.005 0.000 0.993 386 N HN 0.204 nan 8.380 nan 0.000 0.426 387 L N 0.580 121.809 121.223 0.011 0.000 2.017 387 L HA -0.142 4.200 4.340 0.002 0.000 0.208 387 L C 2.012 178.898 176.870 0.028 0.000 1.073 387 L CA 0.753 55.608 54.840 0.026 0.000 0.745 387 L CB -0.318 41.758 42.059 0.028 0.000 0.894 387 L HN 0.116 nan 8.230 nan 0.000 0.432 388 I N 0.350 120.926 120.570 0.010 0.000 2.036 388 I HA -0.327 3.844 4.170 0.002 0.000 0.231 388 I C 2.466 178.581 176.117 -0.003 0.000 1.044 388 I CA 1.697 62.995 61.300 -0.002 0.000 1.315 388 I CB -0.991 37.002 38.000 -0.013 0.000 1.051 388 I HN 0.166 nan 8.210 nan 0.000 0.391 389 K N 0.346 120.746 120.400 -0.001 0.000 2.173 389 K HA -0.251 4.070 4.320 0.002 0.000 0.207 389 K C 2.119 178.727 176.600 0.012 0.000 1.046 389 K CA 1.422 57.711 56.287 0.002 0.000 0.929 389 K CB -0.277 32.228 32.500 0.008 0.000 0.720 389 K HN 0.353 nan 8.250 nan 0.000 0.453 390 Q N 0.353 120.166 119.800 0.023 0.000 2.046 390 Q HA -0.118 4.224 4.340 0.002 0.000 0.200 390 Q C 1.633 177.667 176.000 0.056 0.000 0.975 390 Q CA 1.345 57.169 55.803 0.036 0.000 0.836 390 Q CB 0.079 28.840 28.738 0.038 0.000 0.896 390 Q HN 0.330 nan 8.270 nan 0.000 0.428 391 N N -0.407 118.334 118.700 0.068 0.000 2.331 391 N HA -0.099 4.643 4.740 0.002 0.000 0.180 391 N C 1.655 177.163 175.510 -0.003 0.000 1.019 391 N CA 0.898 54.019 53.050 0.119 0.000 0.881 391 N CB -0.089 38.501 38.487 0.172 0.000 0.972 391 N HN 0.323 nan 8.380 nan 0.000 0.435 392 c N 1.219 119.795 118.600 -0.041 0.000 2.467 392 c HA -0.040 4.532 4.570 0.002 0.000 0.279 392 c C 2.554 176.641 174.090 -0.005 0.000 1.347 392 c CA 0.393 56.669 56.329 -0.089 0.000 1.748 392 c CB -0.722 41.734 42.510 -0.091 0.000 1.977 392 c HN 0.596 nan 8.230 nan 0.000 0.501 393 E N 0.708 120.915 120.200 0.013 0.000 2.152 393 E HA -0.178 4.173 4.350 0.002 0.000 0.192 393 E C 1.980 178.598 176.600 0.030 0.000 0.983 393 E CA 0.852 57.268 56.400 0.027 0.000 0.818 393 E CB -0.489 29.226 29.700 0.024 0.000 0.758 393 E HN 0.409 nan 8.360 nan 0.000 0.467 394 L N 0.876 122.126 121.223 0.045 0.000 2.083 394 L HA -0.048 4.294 4.340 0.002 0.000 0.209 394 L C 2.136 179.019 176.870 0.022 0.000 1.083 394 L CA 1.608 56.497 54.840 0.082 0.000 0.752 394 L CB -0.932 41.247 42.059 0.200 0.000 0.899 394 L HN 0.278 nan 8.230 nan 0.000 0.433 395 F N 0.368 120.114 119.950 -0.340 0.000 2.269 395 F HA -0.153 4.376 4.527 0.002 0.000 0.301 395 F C 2.180 177.843 175.800 -0.228 0.000 1.082 395 F CA 1.634 59.291 58.000 -0.570 0.000 1.360 395 F CB -0.049 38.398 39.000 -0.922 0.000 1.041 395 F HN 0.269 nan 8.300 nan 0.000 0.512 396 E N -0.329 119.837 120.200 -0.057 0.000 2.086 396 E HA -0.164 4.187 4.350 0.002 0.000 0.190 396 E C 2.130 178.660 176.600 -0.117 0.000 0.975 396 E CA 0.821 57.175 56.400 -0.077 0.000 0.813 396 E CB -0.224 29.502 29.700 0.043 0.000 0.768 396 E HN 0.563 nan 8.360 nan 0.000 0.457 397 Q N 0.486 120.247 119.800 -0.066 0.000 2.030 397 Q HA -0.105 4.237 4.340 0.002 0.000 0.204 397 Q C 1.161 177.120 176.000 -0.068 0.000 0.986 397 Q CA 1.091 56.868 55.803 -0.044 0.000 0.843 397 Q CB 0.001 28.733 28.738 -0.010 0.000 0.904 397 Q HN 0.167 nan 8.270 nan 0.000 0.420 398 L N -1.481 119.690 121.223 -0.087 0.000 2.544 398 L HA 0.507 4.849 4.340 0.002 0.000 0.256 398 L C 0.712 177.448 176.870 -0.224 0.000 1.097 398 L CA -0.733 54.058 54.840 -0.082 0.000 0.812 398 L CB 0.303 42.362 42.059 0.001 0.000 1.440 398 L HN 0.082 nan 8.230 nan 0.000 0.496 399 G N -1.370 107.325 108.800 -0.176 0.000 2.753 399 G HA2 0.235 4.196 3.960 0.002 0.000 0.285 399 G HA3 0.235 4.196 3.960 0.002 0.000 0.285 399 G C 0.324 175.060 174.900 -0.273 0.000 1.344 399 G CA -0.264 44.653 45.100 -0.304 0.000 1.050 399 G HN 0.753 nan 8.290 nan 0.000 0.532 400 E N -1.376 118.711 120.200 -0.188 0.000 2.049 400 E HA -0.270 4.081 4.350 0.002 0.000 0.198 400 E C 1.850 178.581 176.600 0.218 0.000 1.007 400 E CA 1.583 58.077 56.400 0.156 0.000 0.809 400 E CB -0.279 29.576 29.700 0.259 0.000 0.749 400 E HN 0.500 nan 8.360 nan 0.000 0.450 401 Y N 1.312 121.650 120.300 0.064 0.000 2.070 401 Y HA -0.189 4.363 4.550 0.003 0.000 0.280 401 Y C 2.070 178.000 175.900 0.050 0.000 1.148 401 Y CA 2.093 60.228 58.100 0.057 0.000 1.125 401 Y CB -0.124 38.358 38.460 0.036 0.000 0.975 401 Y HN -0.093 nan 8.280 nan 0.000 0.492 402 K N -0.917 119.437 120.400 -0.077 0.000 2.147 402 K HA -0.182 4.140 4.320 0.002 0.000 0.205 402 K C 2.003 178.544 176.600 -0.098 0.000 1.049 402 K CA 1.421 57.618 56.287 -0.150 0.000 0.936 402 K CB -0.505 31.993 32.500 -0.003 0.000 0.722 402 K HN 0.370 nan 8.250 nan 0.000 0.446 403 F N 2.404 122.271 119.950 -0.139 0.000 2.234 403 F HA -0.139 4.389 4.527 0.001 0.000 0.299 403 F C 2.018 177.780 175.800 -0.063 0.000 1.087 403 F CA 1.338 59.295 58.000 -0.073 0.000 1.340 403 F CB -0.052 38.942 39.000 -0.009 0.000 1.031 403 F HN 0.002 nan 8.300 nan 0.000 0.500 404 Q N 0.020 119.687 119.800 -0.221 0.000 2.079 404 Q HA -0.180 4.161 4.340 0.002 0.000 0.200 404 Q C 1.807 177.616 176.000 -0.319 0.000 0.974 404 Q CA 1.470 57.103 55.803 -0.282 0.000 0.840 404 Q CB -0.256 28.390 28.738 -0.154 0.000 0.898 404 Q HN 0.404 nan 8.270 nan 0.000 0.430 405 N N 0.532 119.021 118.700 -0.351 0.000 2.244 405 N HA -0.102 4.639 4.740 0.002 0.000 0.183 405 N C 1.503 176.872 175.510 -0.235 0.000 1.016 405 N CA 1.172 54.052 53.050 -0.284 0.000 0.866 405 N CB -0.246 38.060 38.487 -0.301 0.000 0.980 405 N HN 0.215 nan 8.380 nan 0.000 0.430 406 A N 1.247 123.909 122.820 -0.264 0.000 1.873 406 A HA -0.010 4.311 4.320 0.002 0.000 0.215 406 A C 2.312 179.697 177.584 -0.331 0.000 1.186 406 A CA 0.810 52.699 52.037 -0.247 0.000 0.616 406 A CB -0.684 18.193 19.000 -0.205 0.000 0.823 406 A HN 0.192 nan 8.150 nan 0.000 0.442 407 L N -1.073 119.884 121.223 -0.443 0.000 2.141 407 L HA -0.152 4.189 4.340 0.002 0.000 0.209 407 L C 2.499 179.175 176.870 -0.324 0.000 1.094 407 L CA 0.553 55.111 54.840 -0.470 0.000 0.763 407 L CB -0.546 41.312 42.059 -0.334 0.000 0.908 407 L HN 0.323 nan 8.230 nan 0.000 0.437 408 L N -0.331 120.775 121.223 -0.195 0.000 1.989 408 L HA -0.188 4.154 4.340 0.002 0.000 0.211 408 L C 2.467 179.269 176.870 -0.113 0.000 1.071 408 L CA 1.692 56.474 54.840 -0.096 0.000 0.749 408 L CB -0.567 41.432 42.059 -0.101 0.000 0.890 408 L HN -0.055 nan 8.230 nan 0.000 0.431 409 V N -0.550 119.275 119.914 -0.149 0.000 2.407 409 V HA -0.294 3.827 4.120 0.002 0.000 0.248 409 V C 2.705 178.700 176.094 -0.165 0.000 1.055 409 V CA 1.931 64.155 62.300 -0.127 0.000 1.049 409 V CB -0.738 31.015 31.823 -0.116 0.000 0.662 409 V HN 0.471 nan 8.190 nan 0.000 0.455 410 R N -0.922 119.405 120.500 -0.288 0.000 2.081 410 R HA -0.172 4.170 4.340 0.002 0.000 0.235 410 R C 2.290 178.387 176.300 -0.338 0.000 1.131 410 R CA 1.947 57.815 56.100 -0.385 0.000 0.960 410 R CB -0.233 29.687 30.300 -0.634 0.000 0.856 410 R HN 0.542 nan 8.270 nan 0.000 0.436 411 Y N -0.620 119.638 120.300 -0.071 0.000 2.448 411 Y HA 0.083 4.633 4.550 -0.000 0.000 0.289 411 Y C 2.358 178.215 175.900 -0.071 0.000 1.114 411 Y CA 0.854 58.917 58.100 -0.061 0.000 1.235 411 Y CB -0.496 37.924 38.460 -0.066 0.000 1.045 411 Y HN 0.014 nan 8.280 nan 0.000 0.554 412 T N 0.079 114.657 114.554 0.041 0.000 2.833 412 T HA -0.147 4.204 4.350 0.002 0.000 0.269 412 T C 1.810 176.459 174.700 -0.086 0.000 1.054 412 T CA 1.403 63.487 62.100 -0.027 0.000 1.135 412 T CB -0.089 68.755 68.868 -0.040 0.000 0.869 412 T HN 0.308 nan 8.240 nan 0.000 0.466 413 K N 0.484 120.845 120.400 -0.065 0.000 2.116 413 K HA 0.037 4.358 4.320 0.002 0.000 0.203 413 K C 2.423 178.995 176.600 -0.046 0.000 1.052 413 K CA 0.611 56.854 56.287 -0.073 0.000 0.952 413 K CB 0.070 32.539 32.500 -0.052 0.000 0.729 413 K HN 0.119 nan 8.250 nan 0.000 0.446 414 K N 0.665 121.070 120.400 0.008 0.000 1.991 414 K HA -0.099 4.223 4.320 0.002 0.000 0.212 414 K C 1.347 177.957 176.600 0.017 0.000 1.049 414 K CA 1.449 57.764 56.287 0.048 0.000 0.932 414 K CB -0.312 32.279 32.500 0.153 0.000 0.717 414 K HN 0.145 nan 8.250 nan 0.000 0.441 415 V N -1.228 118.689 119.914 0.006 0.000 2.313 415 V HA 0.249 4.371 4.120 0.002 0.000 0.262 415 V C -2.507 173.533 176.094 -0.091 0.000 1.011 415 V CA -1.631 60.655 62.300 -0.022 0.000 0.858 415 V CB 1.434 33.265 31.823 0.014 0.000 1.104 415 V HN -0.096 nan 8.190 nan 0.000 0.456 416 P HA -0.079 nan 4.420 nan 0.000 0.222 416 P C 1.422 178.584 177.300 -0.230 0.000 1.147 416 P CA 1.191 64.023 63.100 -0.446 0.000 0.790 416 P CB 0.278 31.182 31.700 -1.327 0.000 0.780 417 Q N -0.673 119.081 119.800 -0.078 0.000 2.181 417 Q HA -0.060 4.281 4.340 0.002 0.000 0.205 417 Q C 0.742 176.773 176.000 0.051 0.000 0.980 417 Q CA 0.668 56.504 55.803 0.056 0.000 0.862 417 Q CB -1.352 27.444 28.738 0.097 0.000 0.905 417 Q HN 0.122 nan 8.270 nan 0.000 0.429 418 V N 1.135 121.070 119.914 0.035 0.000 2.901 418 V HA -0.053 4.068 4.120 0.002 0.000 0.307 418 V C 0.633 176.745 176.094 0.029 0.000 1.084 418 V CA -0.169 62.162 62.300 0.051 0.000 1.184 418 V CB 1.155 33.003 31.823 0.042 0.000 0.941 418 V HN 0.231 nan 8.190 nan 0.000 0.493 419 S N 3.077 118.798 115.700 0.035 0.000 2.552 419 S HA -0.030 4.441 4.470 0.002 0.000 0.289 419 S C 1.474 176.079 174.600 0.007 0.000 1.304 419 S CA 0.306 58.518 58.200 0.019 0.000 1.063 419 S CB 0.684 63.895 63.200 0.019 0.000 0.848 419 S HN 0.913 nan 8.310 nan 0.000 0.499 420 T N 6.581 121.135 114.554 -0.002 0.000 2.684 420 T HA -0.055 4.297 4.350 0.002 0.000 0.267 420 T C -0.870 173.826 174.700 -0.007 0.000 1.036 420 T CA 1.693 63.787 62.100 -0.010 0.000 1.148 420 T CB -0.940 67.913 68.868 -0.025 0.000 0.863 420 T HN 0.699 nan 8.240 nan 0.000 0.436 421 P HA -0.024 nan 4.420 nan 0.000 0.218 421 P C 1.337 178.638 177.300 0.002 0.000 1.149 421 P CA 1.166 64.266 63.100 -0.001 0.000 0.817 421 P CB -0.249 31.450 31.700 -0.002 0.000 0.785 422 T N 0.488 115.044 114.554 0.003 0.000 2.812 422 T HA -0.016 4.335 4.350 0.002 0.000 0.264 422 T C 1.988 176.682 174.700 -0.009 0.000 1.042 422 T CA 0.858 62.959 62.100 0.001 0.000 1.140 422 T CB -0.697 68.178 68.868 0.012 0.000 0.870 422 T HN 0.039 nan 8.240 nan 0.000 0.445 423 L N 0.670 121.889 121.223 -0.006 0.000 2.017 423 L HA -0.089 4.253 4.340 0.002 0.000 0.208 423 L C 2.656 179.524 176.870 -0.003 0.000 1.073 423 L CA 0.935 55.771 54.840 -0.006 0.000 0.745 423 L CB -0.606 41.455 42.059 0.004 0.000 0.894 423 L HN 0.128 nan 8.230 nan 0.000 0.432 424 V N -0.120 119.795 119.914 0.001 0.000 2.332 424 V HA -0.337 3.784 4.120 0.002 0.000 0.248 424 V C 2.458 178.557 176.094 0.008 0.000 1.055 424 V CA 2.177 64.481 62.300 0.006 0.000 1.038 424 V CB -0.452 31.379 31.823 0.014 0.000 0.651 424 V HN 0.514 nan 8.190 nan 0.000 0.450 425 E N -0.140 120.062 120.200 0.004 0.000 2.047 425 E HA -0.169 4.183 4.350 0.002 0.000 0.191 425 E C 2.190 178.783 176.600 -0.011 0.000 0.987 425 E CA 1.515 57.918 56.400 0.004 0.000 0.799 425 E CB 0.010 29.712 29.700 0.004 0.000 0.752 425 E HN 0.410 nan 8.360 nan 0.000 0.449 426 V N 0.676 120.570 119.914 -0.034 0.000 2.343 426 V HA -0.225 3.896 4.120 0.002 0.000 0.247 426 V C 2.337 178.394 176.094 -0.061 0.000 1.051 426 V CA 1.893 64.149 62.300 -0.073 0.000 1.036 426 V CB -0.408 31.337 31.823 -0.131 0.000 0.654 426 V HN 0.236 nan 8.190 nan 0.000 0.451 427 S N -0.572 115.113 115.700 -0.025 0.000 2.402 427 S HA -0.137 4.334 4.470 0.002 0.000 0.229 427 S C 2.078 176.675 174.600 -0.004 0.000 1.021 427 S CA 1.198 59.404 58.200 0.010 0.000 0.974 427 S CB -0.246 62.967 63.200 0.023 0.000 0.800 427 S HN 0.554 nan 8.310 nan 0.000 0.484 428 R N 1.412 121.915 120.500 0.005 0.000 2.062 428 R HA 0.068 4.410 4.340 0.002 0.000 0.229 428 R C 1.876 178.197 176.300 0.035 0.000 1.128 428 R CA 1.156 57.273 56.100 0.029 0.000 0.960 428 R CB -0.407 29.918 30.300 0.042 0.000 0.855 428 R HN 0.338 nan 8.270 nan 0.000 0.432 429 N N 1.022 119.730 118.700 0.014 0.000 2.120 429 N HA -0.145 4.596 4.740 0.002 0.000 0.188 429 N C 1.754 177.268 175.510 0.007 0.000 1.024 429 N CA 1.020 54.074 53.050 0.007 0.000 0.852 429 N CB -0.269 38.216 38.487 -0.003 0.000 1.003 429 N HN 0.037 nan 8.380 nan 0.000 0.424 430 L N 0.961 122.189 121.223 0.008 0.000 2.042 430 L HA -0.059 4.282 4.340 0.002 0.000 0.210 430 L C 2.369 179.316 176.870 0.127 0.000 1.076 430 L CA 1.615 56.478 54.840 0.038 0.000 0.749 430 L CB -1.373 40.706 42.059 0.033 0.000 0.893 430 L HN 0.200 nan 8.230 nan 0.000 0.432 431 G N -1.206 107.677 108.800 0.138 0.000 2.422 431 G HA2 -0.251 3.711 3.960 0.002 0.000 0.218 431 G HA3 -0.251 3.711 3.960 0.002 0.000 0.218 431 G C 1.742 176.806 174.900 0.273 0.000 1.146 431 G CA 0.667 45.965 45.100 0.330 0.000 0.769 431 G HN 0.351 nan 8.290 nan 0.000 0.547 432 K N 0.036 120.500 120.400 0.107 0.000 2.026 432 K HA -0.031 4.290 4.320 0.002 0.000 0.208 432 K C 2.517 179.027 176.600 -0.149 0.000 1.048 432 K CA 1.153 57.440 56.287 -0.000 0.000 0.929 432 K CB -0.422 32.054 32.500 -0.040 0.000 0.713 432 K HN 0.197 nan 8.250 nan 0.000 0.439 433 V N 1.128 120.939 119.914 -0.171 0.000 2.546 433 V HA -0.230 3.892 4.120 0.002 0.000 0.254 433 V C 2.295 178.239 176.094 -0.251 0.000 1.076 433 V CA 2.134 64.262 62.300 -0.287 0.000 1.087 433 V CB -1.044 30.712 31.823 -0.112 0.000 0.674 433 V HN 0.523 nan 8.190 nan 0.000 0.470 434 G N 0.263 108.966 108.800 -0.162 0.000 2.394 434 G HA2 -0.197 3.764 3.960 0.002 0.000 0.215 434 G HA3 -0.197 3.764 3.960 0.002 0.000 0.215 434 G C 1.765 176.136 174.900 -0.881 0.000 1.165 434 G CA 1.042 45.905 45.100 -0.395 0.000 0.784 434 G HN 0.659 nan 8.290 nan 0.000 0.535 435 S N -0.220 115.081 115.700 -0.664 0.000 2.489 435 S HA 0.159 4.631 4.470 0.002 0.000 0.228 435 S C 1.955 176.362 174.600 -0.321 0.000 0.995 435 S CA 0.835 58.667 58.200 -0.613 0.000 0.934 435 S CB 0.145 63.393 63.200 0.080 0.000 0.771 435 S HN 0.141 nan 8.310 nan 0.000 0.522 436 K N 0.667 120.880 120.400 -0.312 0.000 2.314 436 K HA 0.254 4.576 4.320 0.002 0.000 0.198 436 K C 1.268 177.729 176.600 -0.230 0.000 1.045 436 K CA 0.580 56.722 56.287 -0.242 0.000 0.988 436 K CB -0.321 31.904 32.500 -0.457 0.000 0.783 436 K HN 0.511 nan 8.250 nan 0.000 0.484 437 c N -1.160 117.234 118.600 -0.343 0.000 2.628 437 c HA 0.140 4.711 4.570 0.002 0.000 0.393 437 c C 2.452 176.346 174.090 -0.327 0.000 1.328 437 c CA -0.414 55.657 56.329 -0.431 0.000 2.079 437 c CB -0.577 41.747 42.510 -0.311 0.000 2.663 437 c HN 0.444 nan 8.230 nan 0.000 0.557 438 c N 1.661 120.050 118.600 -0.353 0.000 2.413 438 c HA -0.068 4.504 4.570 0.002 0.000 0.292 438 c C 2.218 176.235 174.090 -0.123 0.000 1.435 438 c CA 1.104 57.262 56.329 -0.286 0.000 1.791 438 c CB -1.183 41.025 42.510 -0.504 0.000 1.784 438 c HN 0.533 nan 8.230 nan 0.000 0.548 439 K N 0.216 120.594 120.400 -0.037 0.000 2.444 439 K HA 0.141 4.462 4.320 0.002 0.000 0.193 439 K C 0.421 177.123 176.600 0.170 0.000 1.024 439 K CA 0.321 56.653 56.287 0.075 0.000 1.077 439 K CB -0.344 32.198 32.500 0.071 0.000 0.833 439 K HN 0.717 nan 8.250 nan 0.000 0.517 440 H N 0.569 119.607 119.070 -0.053 0.000 2.508 440 H HA 0.248 4.806 4.556 0.003 0.000 0.344 440 H C -2.156 173.156 175.328 -0.028 0.000 1.192 440 H CA -2.202 53.827 56.048 -0.031 0.000 1.290 440 H CB 1.113 30.861 29.762 -0.023 0.000 1.571 440 H HN -0.177 nan 8.280 nan 0.000 0.555 441 P HA -0.012 nan 4.420 nan 0.000 0.277 441 P C 0.728 178.060 177.300 0.053 0.000 1.240 441 P CA -0.174 62.956 63.100 0.050 0.000 0.798 441 P CB 0.889 32.602 31.700 0.021 0.000 0.979 442 E N 1.839 122.058 120.200 0.032 0.000 2.253 442 E HA -0.317 4.034 4.350 0.002 0.000 0.202 442 E C 1.476 178.097 176.600 0.035 0.000 1.014 442 E CA 1.514 57.931 56.400 0.029 0.000 0.823 442 E CB -0.235 29.481 29.700 0.025 0.000 0.736 442 E HN 0.505 nan 8.360 nan 0.000 0.478 443 A N 0.356 123.194 122.820 0.031 0.000 2.067 443 A HA -0.107 4.215 4.320 0.002 0.000 0.219 443 A C 1.597 179.199 177.584 0.030 0.000 1.158 443 A CA 1.079 53.130 52.037 0.023 0.000 0.661 443 A CB 0.095 19.095 19.000 0.000 0.000 0.801 443 A HN 0.095 nan 8.150 nan 0.000 0.452 444 K N -1.401 119.032 120.400 0.054 0.000 2.536 444 K HA 0.244 4.566 4.320 0.002 0.000 0.203 444 K C 1.300 177.924 176.600 0.041 0.000 1.063 444 K CA -0.258 56.071 56.287 0.070 0.000 1.063 444 K CB 0.607 33.186 32.500 0.132 0.000 0.843 444 K HN 0.276 nan 8.250 nan 0.000 0.521 445 R N 0.612 121.118 120.500 0.009 0.000 2.052 445 R HA 0.134 4.476 4.340 0.002 0.000 0.226 445 R C 2.154 178.427 176.300 -0.045 0.000 1.145 445 R CA 1.086 57.154 56.100 -0.053 0.000 0.952 445 R CB -0.051 30.226 30.300 -0.038 0.000 0.847 445 R HN 0.139 nan 8.270 nan 0.000 0.431 446 M N 0.532 120.126 119.600 -0.009 0.000 2.106 446 M HA -0.130 4.351 4.480 0.002 0.000 0.259 446 M C -0.910 175.386 176.300 -0.007 0.000 1.068 446 M CA 2.033 57.330 55.300 -0.005 0.000 1.100 446 M CB -0.810 31.800 32.600 0.016 0.000 1.351 446 M HN -0.027 nan 8.290 nan 0.000 0.404 447 P HA -0.130 nan 4.420 nan 0.000 0.215 447 P C 1.662 178.947 177.300 -0.024 0.000 1.157 447 P CA 1.152 64.241 63.100 -0.018 0.000 0.863 447 P CB -0.240 31.448 31.700 -0.021 0.000 0.787 448 c N -0.042 118.539 118.600 -0.032 0.000 2.388 448 c HA -0.168 4.404 4.570 0.002 0.000 0.277 448 c C 2.835 176.965 174.090 0.067 0.000 1.210 448 c CA 1.882 58.198 56.329 -0.022 0.000 1.743 448 c CB -1.657 40.761 42.510 -0.153 0.000 2.047 448 c HN 0.224 nan 8.230 nan 0.000 0.458 449 A N -0.029 122.809 122.820 0.031 0.000 1.892 449 A HA -0.281 4.040 4.320 0.002 0.000 0.218 449 A C 2.178 179.802 177.584 0.065 0.000 1.188 449 A CA 2.245 54.316 52.037 0.058 0.000 0.631 449 A CB -1.150 17.854 19.000 0.006 0.000 0.822 449 A HN 0.843 nan 8.150 nan 0.000 0.447 450 E N -0.488 119.728 120.200 0.027 0.000 2.049 450 E HA -0.313 4.039 4.350 0.002 0.000 0.198 450 E C 1.598 178.211 176.600 0.023 0.000 1.007 450 E CA 1.824 58.238 56.400 0.024 0.000 0.809 450 E CB -0.266 29.443 29.700 0.015 0.000 0.749 450 E HN 0.561 nan 8.360 nan 0.000 0.450 451 D N -1.348 119.042 120.400 -0.018 0.000 2.178 451 D HA -0.124 4.517 4.640 0.002 0.000 0.202 451 D C 1.506 177.739 176.300 -0.112 0.000 0.974 451 D CA 0.910 54.859 54.000 -0.086 0.000 0.841 451 D CB -0.033 40.657 40.800 -0.185 0.000 0.953 451 D HN 0.287 nan 8.370 nan 0.000 0.478 452 Y N -0.423 119.874 120.300 -0.004 0.000 2.269 452 Y HA 0.039 4.589 4.550 0.001 0.000 0.294 452 Y C 1.879 177.768 175.900 -0.018 0.000 1.120 452 Y CA 0.308 58.403 58.100 -0.008 0.000 1.159 452 Y CB -0.320 38.127 38.460 -0.022 0.000 1.024 452 Y HN 0.000 nan 8.280 nan 0.000 0.532 453 L N -0.026 121.282 121.223 0.141 0.000 2.201 453 L HA -0.139 4.203 4.340 0.002 0.000 0.212 453 L C 2.427 179.305 176.870 0.013 0.000 1.105 453 L CA 1.961 56.831 54.840 0.050 0.000 0.775 453 L CB -1.227 40.852 42.059 0.034 0.000 0.913 453 L HN 0.294 nan 8.230 nan 0.000 0.440 454 S N -1.416 114.298 115.700 0.023 0.000 2.402 454 S HA -0.120 4.352 4.470 0.002 0.000 0.229 454 S C 1.908 176.509 174.600 0.002 0.000 1.021 454 S CA 1.233 59.438 58.200 0.008 0.000 0.974 454 S CB -1.097 62.108 63.200 0.008 0.000 0.800 454 S HN 0.359 nan 8.310 nan 0.000 0.484 455 V N -0.231 119.692 119.914 0.015 0.000 2.446 455 V HA 0.092 4.213 4.120 0.002 0.000 0.244 455 V C 2.315 178.412 176.094 0.005 0.000 1.039 455 V CA 0.997 63.307 62.300 0.018 0.000 1.045 455 V CB -1.218 30.630 31.823 0.041 0.000 0.681 455 V HN 0.354 nan 8.190 nan 0.000 0.459 456 V N 0.278 120.194 119.914 0.003 0.000 2.392 456 V HA -0.200 3.921 4.120 0.002 0.000 0.249 456 V C 2.654 178.684 176.094 -0.106 0.000 1.059 456 V CA 2.097 64.374 62.300 -0.038 0.000 1.051 456 V CB -0.826 30.972 31.823 -0.042 0.000 0.658 456 V HN 0.452 nan 8.190 nan 0.000 0.455 457 L N 0.229 121.376 121.223 -0.126 0.000 2.156 457 L HA -0.061 4.280 4.340 0.002 0.000 0.208 457 L C 2.128 178.937 176.870 -0.102 0.000 1.095 457 L CA 1.764 56.480 54.840 -0.207 0.000 0.770 457 L CB -1.171 40.779 42.059 -0.182 0.000 0.914 457 L HN 0.386 nan 8.230 nan 0.000 0.439 458 N N -1.164 117.515 118.700 -0.036 0.000 2.250 458 N HA -0.190 4.552 4.740 0.002 0.000 0.181 458 N C 1.852 177.363 175.510 0.001 0.000 1.017 458 N CA 0.884 53.936 53.050 0.004 0.000 0.866 458 N CB 0.005 38.500 38.487 0.012 0.000 0.985 458 N HN 0.394 nan 8.380 nan 0.000 0.429 459 Q N 0.079 119.872 119.800 -0.012 0.000 2.030 459 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 459 Q C 1.973 177.966 176.000 -0.011 0.000 0.986 459 Q CA 1.541 57.341 55.803 -0.004 0.000 0.843 459 Q CB -0.359 28.374 28.738 -0.008 0.000 0.904 459 Q HN 0.409 nan 8.270 nan 0.000 0.420 460 L N 0.898 122.089 121.223 -0.055 0.000 2.043 460 L HA -0.195 4.146 4.340 0.002 0.000 0.212 460 L C 2.313 179.188 176.870 0.007 0.000 1.075 460 L CA 1.936 56.735 54.840 -0.068 0.000 0.752 460 L CB -1.071 40.866 42.059 -0.203 0.000 0.891 460 L HN 0.432 nan 8.230 nan 0.000 0.432 461 c N -1.754 116.860 118.600 0.024 0.000 2.435 461 c HA -0.068 4.504 4.570 0.002 0.000 0.279 461 c C 2.707 176.862 174.090 0.108 0.000 1.321 461 c CA 0.784 57.173 56.329 0.100 0.000 1.752 461 c CB -0.773 41.803 42.510 0.110 0.000 1.959 461 c HN 0.514 nan 8.230 nan 0.000 0.500 462 V N 0.908 120.862 119.914 0.067 0.000 2.379 462 V HA -0.178 3.944 4.120 0.002 0.000 0.245 462 V C 2.373 178.502 176.094 0.059 0.000 1.044 462 V CA 1.572 63.905 62.300 0.055 0.000 1.036 462 V CB -0.670 31.174 31.823 0.035 0.000 0.664 462 V HN 0.519 nan 8.190 nan 0.000 0.453 463 L N -0.362 120.898 121.223 0.061 0.000 2.042 463 L HA -0.247 4.095 4.340 0.002 0.000 0.210 463 L C 2.623 179.538 176.870 0.074 0.000 1.076 463 L CA 2.146 57.019 54.840 0.056 0.000 0.749 463 L CB -1.015 41.075 42.059 0.051 0.000 0.893 463 L HN 0.484 nan 8.230 nan 0.000 0.432 464 H N 0.011 119.091 119.070 0.018 0.000 2.457 464 H HA -0.176 4.382 4.556 0.004 0.000 0.294 464 H C 2.133 177.475 175.328 0.024 0.000 1.064 464 H CA 1.507 57.571 56.048 0.026 0.000 1.330 464 H CB 0.462 30.250 29.762 0.044 0.000 1.395 464 H HN 0.349 nan 8.280 nan 0.000 0.541 465 E N 1.164 121.404 120.200 0.066 0.000 2.012 465 E HA -0.162 4.190 4.350 0.002 0.000 0.197 465 E C 2.078 178.656 176.600 -0.037 0.000 1.007 465 E CA 1.484 57.895 56.400 0.020 0.000 0.816 465 E CB 0.067 29.787 29.700 0.033 0.000 0.762 465 E HN 0.135 nan 8.360 nan 0.000 0.451 466 K N -0.153 120.233 120.400 -0.025 0.000 1.975 466 K HA -0.091 4.230 4.320 0.002 0.000 0.225 466 K C 0.837 177.397 176.600 -0.067 0.000 1.050 466 K CA 2.016 58.283 56.287 -0.033 0.000 0.992 466 K CB -0.928 31.563 32.500 -0.016 0.000 0.738 466 K HN 0.404 nan 8.250 nan 0.000 0.446 467 T N 0.228 114.731 114.554 -0.086 0.000 3.145 467 T HA 0.431 4.782 4.350 0.002 0.000 0.348 467 T C -2.656 171.900 174.700 -0.241 0.000 1.299 467 T CA -2.202 59.831 62.100 -0.113 0.000 1.037 467 T CB 0.871 69.701 68.868 -0.063 0.000 1.122 467 T HN -0.144 nan 8.240 nan 0.000 0.600 468 P HA 0.177 nan 4.420 nan 0.000 0.269 468 P C 0.339 177.430 177.300 -0.348 0.000 1.211 468 P CA -0.305 62.448 63.100 -0.579 0.000 0.781 468 P CB 0.785 32.326 31.700 -0.264 0.000 0.877 469 V N -1.374 118.411 119.914 -0.215 0.000 3.079 469 V HA 0.108 4.230 4.120 0.002 0.000 0.232 469 V C 0.274 176.500 176.094 0.220 0.000 1.594 469 V CA 0.442 62.803 62.300 0.102 0.000 1.153 469 V CB 0.735 32.653 31.823 0.159 0.000 1.049 469 V HN 0.550 nan 8.190 nan 0.000 0.448 470 S N 0.838 116.792 115.700 0.424 0.000 2.538 470 S HA 0.321 4.793 4.470 0.002 0.000 0.288 470 S C 0.409 175.116 174.600 0.178 0.000 1.108 470 S CA -0.073 58.250 58.200 0.206 0.000 0.971 470 S CB 1.693 64.956 63.200 0.105 0.000 1.041 470 S HN 0.562 nan 8.310 nan 0.000 0.483 471 D N 4.378 124.836 120.400 0.097 0.000 2.178 471 D HA -0.130 4.511 4.640 0.002 0.000 0.202 471 D C 1.434 177.739 176.300 0.008 0.000 0.974 471 D CA 0.674 54.712 54.000 0.063 0.000 0.841 471 D CB -0.030 40.794 40.800 0.039 0.000 0.953 471 D HN 0.491 nan 8.370 nan 0.000 0.478 472 R N 0.623 121.113 120.500 -0.018 0.000 2.081 472 R HA -0.032 4.310 4.340 0.002 0.000 0.235 472 R C 2.638 178.842 176.300 -0.161 0.000 1.131 472 R CA 0.958 57.012 56.100 -0.077 0.000 0.960 472 R CB -0.345 29.922 30.300 -0.055 0.000 0.856 472 R HN 0.082 nan 8.270 nan 0.000 0.436 473 V N 0.344 120.155 119.914 -0.171 0.000 2.427 473 V HA -0.198 3.924 4.120 0.002 0.000 0.248 473 V C 1.963 177.928 176.094 -0.214 0.000 1.051 473 V CA 2.075 64.217 62.300 -0.263 0.000 1.048 473 V CB -0.448 31.055 31.823 -0.532 0.000 0.666 473 V HN 0.402 nan 8.190 nan 0.000 0.456 474 T N -0.327 114.172 114.554 -0.091 0.000 2.904 474 T HA -0.173 4.178 4.350 0.002 0.000 0.267 474 T C 1.939 176.626 174.700 -0.021 0.000 1.059 474 T CA 1.560 63.685 62.100 0.042 0.000 1.137 474 T CB -0.136 68.816 68.868 0.140 0.000 0.879 474 T HN 0.385 nan 8.240 nan 0.000 0.467 475 K N 1.090 121.446 120.400 -0.074 0.000 2.002 475 K HA -0.064 4.258 4.320 0.002 0.000 0.209 475 K C 2.281 178.795 176.600 -0.143 0.000 1.048 475 K CA 1.569 57.802 56.287 -0.090 0.000 0.930 475 K CB -0.923 31.514 32.500 -0.106 0.000 0.714 475 K HN 0.334 nan 8.250 nan 0.000 0.438 476 c N -0.217 118.208 118.600 -0.293 0.000 2.446 476 c HA -0.051 4.520 4.570 0.002 0.000 0.277 476 c C 2.814 176.794 174.090 -0.183 0.000 1.275 476 c CA 0.629 56.692 56.329 -0.444 0.000 1.727 476 c CB -1.020 40.733 42.510 -1.263 0.000 2.010 476 c HN 0.655 nan 8.230 nan 0.000 0.486 477 c N 1.256 119.819 118.600 -0.061 0.000 2.419 477 c HA -0.069 4.503 4.570 0.002 0.000 0.281 477 c C 2.673 176.817 174.090 0.090 0.000 1.336 477 c CA 1.931 58.323 56.329 0.105 0.000 1.770 477 c CB -1.626 40.967 42.510 0.137 0.000 1.929 477 c HN 0.837 nan 8.230 nan 0.000 0.509 478 T N -2.333 112.253 114.554 0.053 0.000 3.040 478 T HA 0.100 4.452 4.350 0.002 0.000 0.250 478 T C 0.363 175.118 174.700 0.091 0.000 1.058 478 T CA 0.118 62.258 62.100 0.068 0.000 0.988 478 T CB 0.172 69.065 68.868 0.043 0.000 0.993 478 T HN 0.490 nan 8.240 nan 0.000 0.519 479 E N 2.982 123.217 120.200 0.059 0.000 2.585 479 E HA 0.280 4.631 4.350 0.002 0.000 0.256 479 E C 0.317 176.985 176.600 0.114 0.000 1.383 479 E CA -0.047 56.383 56.400 0.050 0.000 1.029 479 E CB 0.452 30.137 29.700 -0.024 0.000 1.044 479 E HN 0.427 nan 8.360 nan 0.000 0.595 480 S N 0.778 116.497 115.700 0.030 0.000 2.565 480 S HA 0.042 4.513 4.470 0.002 0.000 0.276 480 S C 1.342 175.833 174.600 -0.181 0.000 1.326 480 S CA -0.372 57.759 58.200 -0.116 0.000 1.045 480 S CB 0.761 63.857 63.200 -0.173 0.000 0.918 480 S HN 0.676 nan 8.310 nan 0.000 0.505 481 L N 3.586 124.559 121.223 -0.416 0.000 2.129 481 L HA -0.088 4.254 4.340 0.002 0.000 0.212 481 L C 1.987 178.769 176.870 -0.146 0.000 1.087 481 L CA 1.517 56.224 54.840 -0.223 0.000 0.757 481 L CB -0.376 41.495 42.059 -0.314 0.000 0.896 481 L HN 0.725 nan 8.230 nan 0.000 0.434 482 V N -0.038 119.761 119.914 -0.193 0.000 2.970 482 V HA -0.146 3.975 4.120 0.002 0.000 0.260 482 V C 1.469 177.515 176.094 -0.079 0.000 1.100 482 V CA 1.463 63.694 62.300 -0.116 0.000 1.122 482 V CB -0.610 31.138 31.823 -0.125 0.000 0.721 482 V HN 0.513 nan 8.190 nan 0.000 0.483 483 N N -0.815 117.840 118.700 -0.075 0.000 2.184 483 N HA 0.104 4.846 4.740 0.002 0.000 0.206 483 N C 1.649 177.143 175.510 -0.026 0.000 1.151 483 N CA 0.013 53.033 53.050 -0.050 0.000 0.878 483 N CB 0.001 38.455 38.487 -0.055 0.000 1.014 483 N HN 0.363 nan 8.380 nan 0.000 0.512 484 R N 0.832 121.336 120.500 0.007 0.000 2.080 484 R HA -0.021 4.321 4.340 0.002 0.000 0.236 484 R C 2.031 178.447 176.300 0.194 0.000 1.137 484 R CA 1.279 57.429 56.100 0.083 0.000 0.943 484 R CB 0.074 30.459 30.300 0.142 0.000 0.846 484 R HN -0.021 nan 8.270 nan 0.000 0.431 485 R N 0.217 120.816 120.500 0.165 0.000 2.075 485 R HA -0.036 4.306 4.340 0.002 0.000 0.232 485 R C -0.854 175.527 176.300 0.136 0.000 1.126 485 R CA 1.402 57.615 56.100 0.188 0.000 0.963 485 R CB -1.311 29.040 30.300 0.085 0.000 0.858 485 R HN 0.272 nan 8.270 nan 0.000 0.435 486 P HA -0.113 nan 4.420 nan 0.000 0.216 486 P C 1.644 178.946 177.300 0.002 0.000 1.150 486 P CA 0.973 64.085 63.100 0.020 0.000 0.837 486 P CB -0.245 31.447 31.700 -0.013 0.000 0.786 487 c N -1.752 116.820 118.600 -0.047 0.000 2.413 487 c HA -0.166 4.406 4.570 0.002 0.000 0.276 487 c C 2.393 176.373 174.090 -0.183 0.000 1.236 487 c CA 0.824 57.059 56.329 -0.156 0.000 1.735 487 c CB -2.111 40.233 42.510 -0.278 0.000 2.031 487 c HN 0.069 nan 8.230 nan 0.000 0.474 488 F N 1.339 121.272 119.950 -0.027 0.000 2.186 488 F HA -0.070 4.460 4.527 0.005 0.000 0.299 488 F C 2.799 178.602 175.800 0.004 0.000 1.090 488 F CA 1.912 59.893 58.000 -0.032 0.000 1.307 488 F CB -0.808 38.154 39.000 -0.064 0.000 1.019 488 F HN 0.120 nan 8.300 nan 0.000 0.489 489 S N -0.424 115.385 115.700 0.180 0.000 2.419 489 S HA -0.106 4.365 4.470 0.002 0.000 0.233 489 S C 2.016 176.665 174.600 0.082 0.000 1.016 489 S CA 0.904 59.181 58.200 0.129 0.000 0.974 489 S CB -0.489 62.764 63.200 0.089 0.000 0.786 489 S HN 0.325 nan 8.310 nan 0.000 0.492 490 A N 0.479 123.324 122.820 0.042 0.000 2.278 490 A HA 0.373 4.694 4.320 0.002 0.000 0.212 490 A C 0.500 178.091 177.584 0.012 0.000 1.213 490 A CA -0.119 51.927 52.037 0.014 0.000 0.840 490 A CB -0.225 18.767 19.000 -0.014 0.000 0.866 490 A HN 0.379 nan 8.150 nan 0.000 0.489 491 L N 0.898 122.144 121.223 0.037 0.000 2.380 491 L HA 0.257 4.598 4.340 0.002 0.000 0.273 491 L C 0.288 177.186 176.870 0.046 0.000 1.138 491 L CA -0.038 54.824 54.840 0.037 0.000 0.832 491 L CB 0.836 42.939 42.059 0.073 0.000 1.124 491 L HN 0.369 nan 8.230 nan 0.000 0.454 492 E N 1.340 121.558 120.200 0.029 0.000 2.264 492 E HA 0.401 4.753 4.350 0.002 0.000 0.260 492 E C -0.851 175.764 176.600 0.025 0.000 0.961 492 E CA -1.089 55.326 56.400 0.025 0.000 0.834 492 E CB 2.063 31.772 29.700 0.016 0.000 1.230 492 E HN 0.191 nan 8.360 nan 0.000 0.412 493 V N 1.693 121.618 119.914 0.018 0.000 2.953 493 V HA -0.125 3.996 4.120 0.002 0.000 0.304 493 V C 0.262 176.373 176.094 0.028 0.000 1.138 493 V CA 0.761 63.070 62.300 0.016 0.000 1.266 493 V CB 0.247 32.077 31.823 0.012 0.000 0.923 493 V HN 0.657 nan 8.190 nan 0.000 0.505 494 D N 3.490 123.911 120.400 0.035 0.000 2.468 494 D HA 0.110 4.752 4.640 0.002 0.000 0.218 494 D C 1.134 177.494 176.300 0.100 0.000 1.155 494 D CA -0.303 53.735 54.000 0.064 0.000 0.924 494 D CB 0.838 41.679 40.800 0.068 0.000 1.029 494 D HN 0.560 nan 8.370 nan 0.000 0.515 495 E N 1.480 121.723 120.200 0.072 0.000 2.153 495 E HA -0.121 4.230 4.350 0.002 0.000 0.194 495 E C 1.510 178.157 176.600 0.078 0.000 0.988 495 E CA 0.948 57.388 56.400 0.066 0.000 0.811 495 E CB -0.085 29.639 29.700 0.040 0.000 0.746 495 E HN 0.449 nan 8.360 nan 0.000 0.466 496 T N 0.790 115.394 114.554 0.083 0.000 2.833 496 T HA -0.184 4.167 4.350 0.002 0.000 0.269 496 T C 0.617 175.375 174.700 0.096 0.000 1.054 496 T CA 0.484 62.629 62.100 0.075 0.000 1.135 496 T CB -0.449 68.463 68.868 0.073 0.000 0.869 496 T HN 0.171 nan 8.240 nan 0.000 0.466 497 Y N 2.731 123.042 120.300 0.020 0.000 2.895 497 Y HA 0.150 4.701 4.550 0.002 0.000 0.334 497 Y C -0.316 175.598 175.900 0.023 0.000 1.261 497 Y CA -0.634 57.480 58.100 0.024 0.000 1.560 497 Y CB 0.186 38.662 38.460 0.027 0.000 1.253 497 Y HN -0.148 nan 8.280 nan 0.000 0.582 498 V N 9.733 129.166 119.914 -0.801 0.000 2.350 498 V HA 0.264 4.385 4.120 0.002 0.000 0.276 498 V C -1.975 173.564 176.094 -0.925 0.000 1.028 498 V CA -2.118 59.809 62.300 -0.622 0.000 0.860 498 V CB 1.016 32.653 31.823 -0.310 0.000 0.990 498 V HN 0.751 nan 8.190 nan 0.000 0.453 499 P HA -0.041 nan 4.420 nan 0.000 0.263 499 P C -0.211 177.073 177.300 -0.027 0.000 1.168 499 P CA 0.262 63.268 63.100 -0.156 0.000 0.759 499 P CB 0.413 32.092 31.700 -0.035 0.000 0.782 500 K N 3.320 123.819 120.400 0.165 0.000 2.298 500 K HA 0.066 4.387 4.320 0.002 0.000 0.280 500 K C 0.062 176.807 176.600 0.241 0.000 1.032 500 K CA -0.262 56.133 56.287 0.180 0.000 0.958 500 K CB 0.406 33.039 32.500 0.223 0.000 0.978 500 K HN 0.425 nan 8.250 nan 0.000 0.472 501 E N 2.820 123.114 120.200 0.156 0.000 2.413 501 E HA -0.107 4.244 4.350 0.002 0.000 0.263 501 E C -0.226 176.448 176.600 0.124 0.000 1.015 501 E CA 0.081 56.587 56.400 0.176 0.000 0.916 501 E CB 0.352 30.122 29.700 0.117 0.000 0.947 501 E HN 0.391 nan 8.360 nan 0.000 0.440 502 F N 3.426 123.339 119.950 -0.061 0.000 2.602 502 F HA -0.042 4.486 4.527 0.002 0.000 0.367 502 F C 0.399 176.157 175.800 -0.071 0.000 1.126 502 F CA 0.417 58.226 58.000 -0.317 0.000 1.321 502 F CB 0.449 39.325 39.000 -0.206 0.000 1.094 502 F HN 0.306 nan 8.300 nan 0.000 0.594 503 N N 4.544 122.924 118.700 -0.533 0.000 2.519 503 N HA 0.311 5.053 4.740 0.002 0.000 0.286 503 N C 0.195 175.514 175.510 -0.319 0.000 1.079 503 N CA 0.197 53.113 53.050 -0.222 0.000 0.878 503 N CB 1.772 40.139 38.487 -0.200 0.000 1.375 503 N HN 0.810 nan 8.380 nan 0.000 0.514 504 A N 3.755 126.644 122.820 0.114 0.000 1.873 504 A HA -0.188 4.133 4.320 0.002 0.000 0.218 504 A C 1.712 179.315 177.584 0.031 0.000 1.193 504 A CA 1.396 53.580 52.037 0.244 0.000 0.629 504 A CB -0.408 18.765 19.000 0.288 0.000 0.826 504 A HN 0.776 nan 8.150 nan 0.000 0.447 505 E N -0.368 119.808 120.200 -0.039 0.000 2.048 505 E HA -0.209 4.142 4.350 0.002 0.000 0.202 505 E C 2.067 178.499 176.600 -0.280 0.000 1.021 505 E CA 2.026 58.355 56.400 -0.119 0.000 0.825 505 E CB -1.279 28.361 29.700 -0.101 0.000 0.756 505 E HN 0.644 nan 8.360 nan 0.000 0.454 506 T N 0.411 114.716 114.554 -0.415 0.000 2.918 506 T HA -0.149 4.202 4.350 0.002 0.000 0.271 506 T C 0.921 175.017 174.700 -1.007 0.000 1.104 506 T CA 0.946 62.613 62.100 -0.722 0.000 1.114 506 T CB -0.252 68.064 68.868 -0.920 0.000 0.855 506 T HN 0.063 nan 8.240 nan 0.000 0.518 507 F N 0.891 120.641 119.950 -0.333 0.000 2.735 507 F HA 0.309 4.837 4.527 0.002 0.000 0.304 507 F C 0.610 176.299 175.800 -0.184 0.000 1.119 507 F CA -0.693 57.177 58.000 -0.216 0.000 1.280 507 F CB 0.132 39.066 39.000 -0.110 0.000 0.994 507 F HN -0.158 nan 8.300 nan 0.000 0.520 508 T N 1.197 115.540 114.554 -0.351 0.000 2.829 508 T HA 0.560 4.912 4.350 0.002 0.000 0.282 508 T C -0.813 173.532 174.700 -0.591 0.000 0.990 508 T CA -0.143 61.834 62.100 -0.204 0.000 1.028 508 T CB 0.998 69.790 68.868 -0.128 0.000 0.951 508 T HN -0.166 nan 8.240 nan 0.000 0.460 509 F N 2.212 122.221 119.950 0.099 0.000 2.529 509 F HA 0.446 4.974 4.527 0.002 0.000 0.320 509 F C 0.567 176.399 175.800 0.052 0.000 1.118 509 F CA -1.119 56.954 58.000 0.121 0.000 0.915 509 F CB 1.446 40.772 39.000 0.542 0.000 1.161 509 F HN 0.498 nan 8.300 nan 0.000 0.445 510 H N 0.836 119.976 119.070 0.118 0.000 2.595 510 H HA 0.492 5.049 4.556 0.003 0.000 0.346 510 H C 0.499 175.270 175.328 -0.928 0.000 1.181 510 H CA -0.658 55.225 56.048 -0.275 0.000 1.242 510 H CB 1.677 31.355 29.762 -0.139 0.000 1.652 510 H HN 0.723 nan 8.280 nan 0.000 0.548 511 A N 0.958 123.127 122.820 -1.086 0.000 2.248 511 A HA -0.135 4.186 4.320 0.002 0.000 0.210 511 A C 1.643 178.989 177.584 -0.397 0.000 1.174 511 A CA 1.042 52.431 52.037 -1.081 0.000 0.750 511 A CB -0.664 18.011 19.000 -0.542 0.000 0.780 511 A HN 0.778 nan 8.150 nan 0.000 0.478 512 D N 1.002 121.266 120.400 -0.226 0.000 2.218 512 D HA -0.223 4.419 4.640 0.002 0.000 0.204 512 D C 1.684 177.955 176.300 -0.048 0.000 0.976 512 D CA 1.476 55.424 54.000 -0.087 0.000 0.853 512 D CB -0.647 40.141 40.800 -0.020 0.000 0.939 512 D HN 0.760 nan 8.370 nan 0.000 0.481 513 I N -1.027 119.519 120.570 -0.040 0.000 2.916 513 I HA -0.125 4.046 4.170 0.002 0.000 0.267 513 I C 1.731 177.863 176.117 0.025 0.000 1.263 513 I CA 0.496 61.822 61.300 0.044 0.000 1.471 513 I CB -0.523 37.567 38.000 0.149 0.000 1.089 513 I HN -0.071 nan 8.210 nan 0.000 0.468 514 c N 0.358 118.950 118.600 -0.014 0.000 2.464 514 c HA -0.034 4.537 4.570 0.002 0.000 0.278 514 c C 2.523 176.609 174.090 -0.007 0.000 1.375 514 c CA 1.173 57.503 56.329 0.001 0.000 1.761 514 c CB -1.224 41.286 42.510 -0.000 0.000 1.944 514 c HN 0.650 nan 8.230 nan 0.000 0.509 515 T N 0.039 114.585 114.554 -0.014 0.000 3.105 515 T HA 0.349 4.700 4.350 0.002 0.000 0.253 515 T C 0.274 174.974 174.700 -0.001 0.000 1.047 515 T CA 0.021 62.116 62.100 -0.009 0.000 0.944 515 T CB -0.262 68.597 68.868 -0.015 0.000 1.016 515 T HN 0.282 nan 8.240 nan 0.000 0.544 516 L N 2.268 123.495 121.223 0.007 0.000 2.399 516 L HA 0.491 4.832 4.340 0.002 0.000 0.265 516 L C 0.935 177.812 176.870 0.012 0.000 1.089 516 L CA -0.879 53.970 54.840 0.015 0.000 0.802 516 L CB 1.338 43.416 42.059 0.030 0.000 1.180 516 L HN 0.229 nan 8.230 nan 0.000 0.454 517 S N -0.286 115.422 115.700 0.013 0.000 2.589 517 S HA 0.053 4.524 4.470 0.002 0.000 0.265 517 S C 0.900 175.501 174.600 0.002 0.000 1.342 517 S CA -0.577 57.628 58.200 0.007 0.000 1.005 517 S CB 1.063 64.270 63.200 0.012 0.000 0.909 517 S HN 0.619 nan 8.310 nan 0.000 0.555 518 E N 1.171 121.364 120.200 -0.010 0.000 2.049 518 E HA -0.150 4.201 4.350 0.002 0.000 0.198 518 E C 1.174 177.761 176.600 -0.023 0.000 1.007 518 E CA 1.337 57.718 56.400 -0.032 0.000 0.809 518 E CB -0.191 29.486 29.700 -0.038 0.000 0.749 518 E HN 0.560 nan 8.360 nan 0.000 0.450 519 K N 0.903 121.305 120.400 0.005 0.000 2.569 519 K HA -0.004 4.318 4.320 0.002 0.000 0.193 519 K C 1.213 177.840 176.600 0.044 0.000 1.026 519 K CA 0.272 56.577 56.287 0.030 0.000 1.093 519 K CB 0.379 32.901 32.500 0.037 0.000 0.849 519 K HN 0.139 nan 8.250 nan 0.000 0.509 520 E N -0.109 120.114 120.200 0.038 0.000 2.367 520 E HA 0.101 4.453 4.350 0.002 0.000 0.204 520 E C 1.759 178.401 176.600 0.071 0.000 0.840 520 E CA 0.219 56.649 56.400 0.051 0.000 1.051 520 E CB 0.256 29.980 29.700 0.040 0.000 1.051 520 E HN 0.172 nan 8.360 nan 0.000 0.509 521 R N 1.085 121.620 120.500 0.059 0.000 2.075 521 R HA -0.054 4.287 4.340 0.002 0.000 0.232 521 R C 2.433 178.806 176.300 0.122 0.000 1.126 521 R CA 1.332 57.483 56.100 0.085 0.000 0.963 521 R CB -0.153 30.170 30.300 0.038 0.000 0.858 521 R HN 0.170 nan 8.270 nan 0.000 0.435 522 Q N 0.664 120.514 119.800 0.084 0.000 2.002 522 Q HA -0.174 4.168 4.340 0.002 0.000 0.204 522 Q C 2.238 178.381 176.000 0.238 0.000 0.988 522 Q CA 1.658 57.578 55.803 0.195 0.000 0.843 522 Q CB -0.282 28.565 28.738 0.182 0.000 0.908 522 Q HN 0.378 nan 8.270 nan 0.000 0.420 523 I N 0.731 121.398 120.570 0.162 0.000 2.335 523 I HA -0.282 3.890 4.170 0.002 0.000 0.251 523 I C 2.224 178.412 176.117 0.118 0.000 1.129 523 I CA 1.234 62.607 61.300 0.123 0.000 1.402 523 I CB -0.315 37.737 38.000 0.086 0.000 1.069 523 I HN 0.174 nan 8.210 nan 0.000 0.424 524 K N 0.857 121.343 120.400 0.143 0.000 2.228 524 K HA -0.085 4.237 4.320 0.002 0.000 0.202 524 K C 2.054 178.793 176.600 0.233 0.000 1.051 524 K CA 0.904 57.291 56.287 0.166 0.000 0.960 524 K CB 0.099 32.715 32.500 0.194 0.000 0.743 524 K HN 0.316 nan 8.250 nan 0.000 0.458 525 K N 0.637 121.186 120.400 0.249 0.000 2.098 525 K HA -0.064 4.257 4.320 0.002 0.000 0.203 525 K C 2.027 178.699 176.600 0.119 0.000 1.051 525 K CA 0.881 57.306 56.287 0.230 0.000 0.957 525 K CB 0.100 32.793 32.500 0.322 0.000 0.738 525 K HN 0.119 nan 8.250 nan 0.000 0.447 526 Q N 0.170 120.048 119.800 0.131 0.000 2.291 526 Q HA -0.075 4.267 4.340 0.002 0.000 0.205 526 Q C 1.639 177.658 176.000 0.031 0.000 0.970 526 Q CA 1.252 57.091 55.803 0.060 0.000 0.876 526 Q CB 0.012 28.789 28.738 0.064 0.000 0.935 526 Q HN 0.256 nan 8.270 nan 0.000 0.455 527 T N 0.555 115.135 114.554 0.042 0.000 2.896 527 T HA -0.008 4.343 4.350 0.002 0.000 0.263 527 T C 1.878 176.562 174.700 -0.026 0.000 1.050 527 T CA 0.973 63.075 62.100 0.002 0.000 1.140 527 T CB -0.052 68.813 68.868 -0.006 0.000 0.877 527 T HN 0.349 nan 8.240 nan 0.000 0.457 528 A N 1.081 123.905 122.820 0.007 0.000 2.014 528 A HA 0.096 4.418 4.320 0.002 0.000 0.218 528 A C 2.141 179.758 177.584 0.054 0.000 1.163 528 A CA 0.814 52.855 52.037 0.006 0.000 0.652 528 A CB -0.532 18.564 19.000 0.161 0.000 0.808 528 A HN 0.383 nan 8.150 nan 0.000 0.449 529 L N -0.165 121.066 121.223 0.012 0.000 2.044 529 L HA -0.045 4.297 4.340 0.002 0.000 0.205 529 L C 2.374 179.261 176.870 0.028 0.000 1.075 529 L CA 1.802 56.647 54.840 0.008 0.000 0.747 529 L CB -0.739 41.303 42.059 -0.029 0.000 0.903 529 L HN 0.137 nan 8.230 nan 0.000 0.435 530 V N 0.054 119.973 119.914 0.009 0.000 2.255 530 V HA -0.272 3.850 4.120 0.002 0.000 0.247 530 V C 2.685 178.801 176.094 0.038 0.000 1.051 530 V CA 1.902 64.207 62.300 0.007 0.000 1.018 530 V CB -0.760 31.059 31.823 -0.007 0.000 0.641 530 V HN 0.446 nan 8.190 nan 0.000 0.445 531 E N -0.183 120.032 120.200 0.026 0.000 2.171 531 E HA -0.232 4.120 4.350 0.002 0.000 0.197 531 E C 2.049 178.811 176.600 0.268 0.000 0.997 531 E CA 1.251 57.678 56.400 0.046 0.000 0.810 531 E CB -0.464 29.119 29.700 -0.194 0.000 0.738 531 E HN 0.497 nan 8.360 nan 0.000 0.467 532 L N 0.253 121.663 121.223 0.312 0.000 2.056 532 L HA -0.104 4.238 4.340 0.002 0.000 0.207 532 L C 2.207 179.194 176.870 0.194 0.000 1.078 532 L CA 1.290 56.318 54.840 0.314 0.000 0.749 532 L CB -0.540 41.632 42.059 0.188 0.000 0.901 532 L HN -0.105 nan 8.230 nan 0.000 0.433 533 V N -0.181 119.803 119.914 0.117 0.000 2.427 533 V HA -0.243 3.878 4.120 0.002 0.000 0.248 533 V C 2.512 178.667 176.094 0.101 0.000 1.051 533 V CA 1.823 64.165 62.300 0.069 0.000 1.048 533 V CB -0.792 31.039 31.823 0.012 0.000 0.666 533 V HN 0.440 nan 8.190 nan 0.000 0.456 534 K N -0.709 119.767 120.400 0.127 0.000 2.362 534 K HA -0.179 4.142 4.320 0.002 0.000 0.200 534 K C 2.111 178.924 176.600 0.355 0.000 1.046 534 K CA 1.237 57.636 56.287 0.186 0.000 0.952 534 K CB -0.158 32.433 32.500 0.152 0.000 0.753 534 K HN 0.553 nan 8.250 nan 0.000 0.466 535 H N 0.521 119.705 119.070 0.190 0.000 2.451 535 H HA 0.135 4.693 4.556 0.003 0.000 0.294 535 H C -0.094 175.314 175.328 0.133 0.000 1.028 535 H CA 0.849 57.001 56.048 0.173 0.000 1.349 535 H CB 0.644 30.507 29.762 0.167 0.000 1.444 535 H HN -0.246 nan 8.280 nan 0.000 0.538 536 K N 1.495 121.895 120.400 0.000 0.000 2.842 536 K HA 0.196 4.517 4.320 0.002 0.000 0.176 536 K C -2.281 174.328 176.600 0.016 0.000 1.080 536 K CA -1.799 54.442 56.287 -0.077 0.000 0.954 536 K CB 1.467 33.907 32.500 -0.101 0.000 1.203 536 K HN 0.297 nan 8.250 nan 0.000 0.611 537 P HA -0.117 nan 4.420 nan 0.000 0.225 537 P C 0.406 177.730 177.300 0.041 0.000 1.148 537 P CA 0.789 63.938 63.100 0.083 0.000 0.779 537 P CB 0.509 32.332 31.700 0.205 0.000 0.780 538 K N -0.443 119.970 120.400 0.022 0.000 2.404 538 K HA 0.271 4.593 4.320 0.002 0.000 0.194 538 K C 1.073 177.668 176.600 -0.007 0.000 1.023 538 K CA -0.280 56.011 56.287 0.007 0.000 1.094 538 K CB 0.008 32.508 32.500 0.001 0.000 0.841 538 K HN 0.060 nan 8.250 nan 0.000 0.523 539 A N 1.617 124.431 122.820 -0.011 0.000 2.498 539 A HA 0.213 4.535 4.320 0.002 0.000 0.239 539 A C 0.328 177.903 177.584 -0.016 0.000 1.068 539 A CA 0.149 52.176 52.037 -0.017 0.000 0.766 539 A CB 0.093 19.083 19.000 -0.017 0.000 1.003 539 A HN 0.175 nan 8.150 nan 0.000 0.497 540 T N 1.545 116.089 114.554 -0.016 0.000 2.847 540 T HA 0.221 4.572 4.350 0.002 0.000 0.279 540 T C 1.352 176.041 174.700 -0.019 0.000 0.984 540 T CA -0.509 61.581 62.100 -0.016 0.000 0.988 540 T CB 0.908 69.767 68.868 -0.013 0.000 1.040 540 T HN 0.646 nan 8.240 nan 0.000 0.528 541 K N 0.406 120.794 120.400 -0.020 0.000 2.211 541 K HA -0.081 4.240 4.320 0.002 0.000 0.203 541 K C 2.066 178.657 176.600 -0.016 0.000 1.050 541 K CA 0.941 57.215 56.287 -0.023 0.000 0.945 541 K CB 0.116 32.602 32.500 -0.024 0.000 0.732 541 K HN 0.465 nan 8.250 nan 0.000 0.451 542 E N 1.071 121.264 120.200 -0.012 0.000 2.016 542 E HA -0.164 4.187 4.350 0.002 0.000 0.190 542 E C 2.080 178.675 176.600 -0.007 0.000 0.985 542 E CA 1.166 57.562 56.400 -0.008 0.000 0.802 542 E CB -0.169 29.527 29.700 -0.007 0.000 0.762 542 E HN 0.356 nan 8.360 nan 0.000 0.448 543 Q N 0.302 120.096 119.800 -0.010 0.000 2.077 543 Q HA -0.182 4.159 4.340 0.002 0.000 0.206 543 Q C 2.307 178.302 176.000 -0.008 0.000 0.989 543 Q CA 1.112 56.909 55.803 -0.010 0.000 0.853 543 Q CB -0.234 28.496 28.738 -0.014 0.000 0.907 543 Q HN 0.092 nan 8.270 nan 0.000 0.418 544 L N 1.202 122.419 121.223 -0.011 0.000 2.042 544 L HA -0.203 4.139 4.340 0.002 0.000 0.210 544 L C 2.285 179.153 176.870 -0.004 0.000 1.076 544 L CA 1.775 56.608 54.840 -0.011 0.000 0.749 544 L CB -0.466 41.582 42.059 -0.019 0.000 0.893 544 L HN 0.121 nan 8.230 nan 0.000 0.432 545 K N -1.011 119.388 120.400 -0.002 0.000 2.148 545 K HA -0.125 4.197 4.320 0.002 0.000 0.204 545 K C 1.971 178.581 176.600 0.017 0.000 1.050 545 K CA 1.055 57.346 56.287 0.007 0.000 0.942 545 K CB -0.003 32.499 32.500 0.003 0.000 0.724 545 K HN 0.321 nan 8.250 nan 0.000 0.446 546 A N 0.550 123.377 122.820 0.011 0.000 1.898 546 A HA -0.075 4.246 4.320 0.002 0.000 0.216 546 A C 2.135 179.733 177.584 0.025 0.000 1.181 546 A CA 1.342 53.388 52.037 0.015 0.000 0.620 546 A CB -0.428 18.576 19.000 0.006 0.000 0.819 546 A HN 0.157 nan 8.150 nan 0.000 0.442 547 V N -0.314 119.612 119.914 0.020 0.000 2.548 547 V HA -0.213 3.908 4.120 0.002 0.000 0.249 547 V C 2.496 178.629 176.094 0.065 0.000 1.055 547 V CA 1.913 64.229 62.300 0.027 0.000 1.065 547 V CB -0.601 31.222 31.823 -0.000 0.000 0.681 547 V HN 0.554 nan 8.190 nan 0.000 0.462 548 M N -0.609 119.026 119.600 0.058 0.000 2.419 548 M HA -0.075 4.407 4.480 0.002 0.000 0.264 548 M C 1.643 178.026 176.300 0.138 0.000 1.082 548 M CA 1.166 56.524 55.300 0.098 0.000 1.119 548 M CB -0.268 32.366 32.600 0.057 0.000 1.398 548 M HN 0.313 nan 8.290 nan 0.000 0.453 549 D N 0.529 120.984 120.400 0.092 0.000 2.137 549 D HA -0.109 4.532 4.640 0.002 0.000 0.202 549 D C 1.436 177.788 176.300 0.087 0.000 0.970 549 D CA 1.114 55.161 54.000 0.078 0.000 0.837 549 D CB -0.300 40.528 40.800 0.046 0.000 0.981 549 D HN 0.194 nan 8.370 nan 0.000 0.475 550 D N -0.254 120.199 120.400 0.088 0.000 2.182 550 D HA -0.137 4.505 4.640 0.002 0.000 0.201 550 D C 1.669 178.051 176.300 0.138 0.000 0.986 550 D CA 0.451 54.500 54.000 0.082 0.000 0.847 550 D CB -0.257 40.575 40.800 0.053 0.000 0.942 550 D HN 0.156 nan 8.370 nan 0.000 0.467 551 F N 1.349 121.312 119.950 0.021 0.000 2.098 551 F HA 0.009 4.537 4.527 0.003 0.000 0.294 551 F C 2.258 178.099 175.800 0.068 0.000 1.107 551 F CA 1.260 59.290 58.000 0.051 0.000 1.234 551 F CB -0.506 38.492 39.000 -0.004 0.000 1.002 551 F HN -0.059 nan 8.300 nan 0.000 0.472 552 A N 0.458 123.364 122.820 0.144 0.000 1.927 552 A HA -0.223 4.098 4.320 0.002 0.000 0.220 552 A C 2.369 179.904 177.584 -0.081 0.000 1.185 552 A CA 2.343 54.395 52.037 0.025 0.000 0.639 552 A CB -1.611 17.441 19.000 0.087 0.000 0.820 552 A HN 0.530 nan 8.150 nan 0.000 0.451 553 A N -1.336 121.461 122.820 -0.038 0.000 1.854 553 A HA 0.062 4.383 4.320 0.002 0.000 0.214 553 A C 2.076 179.587 177.584 -0.121 0.000 1.192 553 A CA 1.356 53.358 52.037 -0.058 0.000 0.611 553 A CB -0.790 18.204 19.000 -0.009 0.000 0.832 553 A HN 0.804 nan 8.150 nan 0.000 0.442 554 F N 1.077 120.866 119.950 -0.268 0.000 2.120 554 F HA -0.235 4.293 4.527 0.002 0.000 0.300 554 F C 2.042 177.529 175.800 -0.521 0.000 1.095 554 F CA 2.204 59.983 58.000 -0.369 0.000 1.249 554 F CB -0.232 38.542 39.000 -0.376 0.000 0.995 554 F HN 0.036 nan 8.300 nan 0.000 0.480 555 V N 0.666 120.066 119.914 -0.857 0.000 2.407 555 V HA -0.281 3.840 4.120 0.002 0.000 0.248 555 V C 2.204 177.980 176.094 -0.530 0.000 1.055 555 V CA 2.328 64.111 62.300 -0.862 0.000 1.049 555 V CB -0.700 30.752 31.823 -0.618 0.000 0.662 555 V HN 0.439 nan 8.190 nan 0.000 0.455 556 E N 0.285 120.267 120.200 -0.363 0.000 2.021 556 E HA -0.213 4.138 4.350 0.002 0.000 0.189 556 E C 2.186 178.643 176.600 -0.238 0.000 0.980 556 E CA 1.064 57.330 56.400 -0.224 0.000 0.803 556 E CB -0.246 29.368 29.700 -0.144 0.000 0.766 556 E HN 0.435 nan 8.360 nan 0.000 0.449 557 K N 1.130 121.381 120.400 -0.249 0.000 2.259 557 K HA -0.216 4.106 4.320 0.002 0.000 0.206 557 K C 1.566 178.015 176.600 -0.251 0.000 1.044 557 K CA 1.810 57.974 56.287 -0.204 0.000 0.931 557 K CB -0.510 31.891 32.500 -0.164 0.000 0.726 557 K HN 0.157 nan 8.250 nan 0.000 0.467 558 c N -1.734 116.606 118.600 -0.432 0.000 2.689 558 c HA 0.258 4.829 4.570 0.002 0.000 0.336 558 c C 2.308 176.370 174.090 -0.047 0.000 1.304 558 c CA -0.108 55.994 56.329 -0.379 0.000 1.860 558 c CB -0.512 41.334 42.510 -1.106 0.000 2.405 558 c HN 0.659 nan 8.230 nan 0.000 0.557 559 c N 0.794 119.364 118.600 -0.050 0.000 2.562 559 c HA 0.030 4.602 4.570 0.002 0.000 0.266 559 c C 2.213 176.302 174.090 -0.002 0.000 1.382 559 c CA 0.817 57.178 56.329 0.053 0.000 1.742 559 c CB -1.409 41.120 42.510 0.032 0.000 1.812 559 c HN 0.623 nan 8.230 nan 0.000 0.559 560 K N 0.453 120.830 120.400 -0.040 0.000 2.373 560 K HA 0.376 4.697 4.320 0.002 0.000 0.202 560 K C 0.401 176.987 176.600 -0.024 0.000 1.025 560 K CA 0.036 56.303 56.287 -0.034 0.000 1.115 560 K CB 0.213 32.683 32.500 -0.051 0.000 0.858 560 K HN 0.381 nan 8.250 nan 0.000 0.525 561 A N 0.347 123.157 122.820 -0.016 0.000 2.311 561 A HA 0.283 4.604 4.320 0.002 0.000 0.334 561 A C 0.022 177.614 177.584 0.014 0.000 1.139 561 A CA -0.648 51.386 52.037 -0.005 0.000 0.830 561 A CB 0.891 19.884 19.000 -0.011 0.000 1.234 561 A HN 0.194 nan 8.150 nan 0.000 0.483 562 D N -0.307 120.101 120.400 0.014 0.000 2.234 562 D HA -0.060 4.582 4.640 0.002 0.000 0.205 562 D C -0.404 175.913 176.300 0.028 0.000 0.962 562 D CA 1.122 55.133 54.000 0.018 0.000 0.855 562 D CB 0.376 41.183 40.800 0.012 0.000 0.951 562 D HN 0.551 nan 8.370 nan 0.000 0.500 563 D N 1.296 121.718 120.400 0.038 0.000 2.622 563 D HA 0.063 4.704 4.640 0.002 0.000 0.262 563 D C -0.638 175.715 176.300 0.087 0.000 1.189 563 D CA -0.310 53.721 54.000 0.052 0.000 0.985 563 D CB -0.086 40.743 40.800 0.049 0.000 0.994 563 D HN -0.074 nan 8.370 nan 0.000 0.513 564 K N 1.713 122.168 120.400 0.092 0.000 2.349 564 K HA 0.139 4.460 4.320 0.002 0.000 0.289 564 K C 0.605 177.284 176.600 0.132 0.000 1.064 564 K CA -0.078 56.302 56.287 0.156 0.000 0.947 564 K CB 1.175 33.733 32.500 0.097 0.000 1.007 564 K HN 0.335 nan 8.250 nan 0.000 0.478 565 E N 0.997 121.351 120.200 0.257 0.000 4.373 565 E HA -0.151 4.201 4.350 0.002 0.000 0.412 565 E C 0.173 176.908 176.600 0.224 0.000 0.537 565 E CA 0.623 57.150 56.400 0.210 0.000 1.539 565 E CB -0.705 29.034 29.700 0.065 0.000 1.964 565 E HN 0.629 nan 8.360 nan 0.000 0.298 566 T N -0.911 113.763 114.554 0.199 0.000 3.044 566 T HA 0.014 4.366 4.350 0.002 0.000 0.237 566 T C 1.535 176.345 174.700 0.183 0.000 1.001 566 T CA 0.801 62.994 62.100 0.155 0.000 1.160 566 T CB -0.155 68.775 68.868 0.102 0.000 0.889 566 T HN 0.423 nan 8.240 nan 0.000 0.442 567 c N 1.115 119.819 118.600 0.172 0.000 2.411 567 c HA -0.034 4.537 4.570 0.002 0.000 0.279 567 c C 2.216 176.393 174.090 0.145 0.000 1.288 567 c CA 0.586 56.981 56.329 0.111 0.000 1.764 567 c CB -1.766 40.758 42.510 0.022 0.000 1.974 567 c HN 0.526 nan 8.230 nan 0.000 0.498 568 F N 0.883 120.923 119.950 0.150 0.000 2.367 568 F HA 0.176 4.704 4.527 0.002 0.000 0.298 568 F C 2.401 178.413 175.800 0.352 0.000 1.094 568 F CA 1.216 59.384 58.000 0.281 0.000 1.409 568 F CB -0.283 38.846 39.000 0.215 0.000 1.064 568 F HN 0.271 nan 8.300 nan 0.000 0.528 569 A N -0.107 122.956 122.820 0.405 0.000 1.997 569 A HA -0.016 4.306 4.320 0.002 0.000 0.212 569 A C 2.065 179.776 177.584 0.211 0.000 1.178 569 A CA 0.883 53.097 52.037 0.297 0.000 0.698 569 A CB -0.454 18.688 19.000 0.237 0.000 0.842 569 A HN 0.447 nan 8.150 nan 0.000 0.458 570 E N -0.290 120.024 120.200 0.188 0.000 2.024 570 E HA -0.120 4.232 4.350 0.002 0.000 0.190 570 E C 1.349 178.018 176.600 0.115 0.000 0.974 570 E CA 0.815 57.292 56.400 0.129 0.000 0.810 570 E CB -0.533 29.229 29.700 0.104 0.000 0.775 570 E HN 0.339 nan 8.360 nan 0.000 0.453 571 E N 1.072 121.367 120.200 0.158 0.000 2.153 571 E HA -0.124 4.228 4.350 0.002 0.000 0.194 571 E C 2.217 178.792 176.600 -0.043 0.000 0.988 571 E CA 1.172 57.650 56.400 0.130 0.000 0.811 571 E CB -0.505 29.391 29.700 0.327 0.000 0.746 571 E HN 0.535 nan 8.360 nan 0.000 0.466 572 G N 2.031 110.868 108.800 0.061 0.000 2.440 572 G HA2 -0.289 3.672 3.960 0.002 0.000 0.218 572 G HA3 -0.289 3.672 3.960 0.002 0.000 0.218 572 G C 1.618 176.503 174.900 -0.024 0.000 1.154 572 G CA 0.751 45.809 45.100 -0.070 0.000 0.767 572 G HN 0.205 nan 8.290 nan 0.000 0.552 573 K N 0.332 120.760 120.400 0.047 0.000 2.097 573 K HA -0.030 4.292 4.320 0.002 0.000 0.205 573 K C 2.547 179.147 176.600 0.001 0.000 1.050 573 K CA 0.936 57.251 56.287 0.047 0.000 0.938 573 K CB -0.150 32.385 32.500 0.059 0.000 0.718 573 K HN 0.254 nan 8.250 nan 0.000 0.442 574 K N 0.852 121.237 120.400 -0.025 0.000 2.002 574 K HA -0.141 4.181 4.320 0.002 0.000 0.209 574 K C 2.204 178.760 176.600 -0.074 0.000 1.048 574 K CA 0.903 57.166 56.287 -0.040 0.000 0.930 574 K CB -0.274 32.207 32.500 -0.032 0.000 0.714 574 K HN -0.027 nan 8.250 nan 0.000 0.438 575 L N 1.186 122.313 121.223 -0.159 0.000 1.990 575 L HA -0.245 4.096 4.340 0.002 0.000 0.213 575 L C 2.159 178.979 176.870 -0.083 0.000 1.072 575 L CA 1.583 56.314 54.840 -0.181 0.000 0.755 575 L CB -0.448 41.362 42.059 -0.416 0.000 0.889 575 L HN -0.045 nan 8.230 nan 0.000 0.432 576 V N -0.214 119.675 119.914 -0.042 0.000 2.287 576 V HA -0.347 3.774 4.120 0.002 0.000 0.248 576 V C 2.725 178.824 176.094 0.008 0.000 1.053 576 V CA 1.814 64.136 62.300 0.038 0.000 1.027 576 V CB -1.422 30.487 31.823 0.144 0.000 0.646 576 V HN 0.633 nan 8.190 nan 0.000 0.447 577 A N -0.074 122.737 122.820 -0.015 0.000 1.877 577 A HA -0.128 4.194 4.320 0.002 0.000 0.216 577 A C 2.431 179.993 177.584 -0.037 0.000 1.186 577 A CA 2.324 54.339 52.037 -0.037 0.000 0.620 577 A CB -0.896 18.086 19.000 -0.030 0.000 0.822 577 A HN 0.578 nan 8.150 nan 0.000 0.443 578 A N -0.823 121.977 122.820 -0.033 0.000 1.858 578 A HA -0.067 4.254 4.320 0.002 0.000 0.216 578 A C 2.453 180.021 177.584 -0.027 0.000 1.190 578 A CA 2.067 54.087 52.037 -0.029 0.000 0.617 578 A CB -1.093 17.890 19.000 -0.028 0.000 0.827 578 A HN 0.442 nan 8.150 nan 0.000 0.443 579 S N -0.391 115.293 115.700 -0.027 0.000 2.374 579 S HA -0.259 4.213 4.470 0.002 0.000 0.227 579 S C 2.125 176.713 174.600 -0.020 0.000 1.037 579 S CA 1.744 59.930 58.200 -0.023 0.000 1.024 579 S CB -0.379 62.803 63.200 -0.029 0.000 0.861 579 S HN 0.661 nan 8.310 nan 0.000 0.456 580 Q N 0.114 119.903 119.800 -0.018 0.000 2.124 580 Q HA -0.071 4.271 4.340 0.002 0.000 0.202 580 Q C 2.458 178.439 176.000 -0.031 0.000 0.977 580 Q CA 1.380 57.173 55.803 -0.017 0.000 0.850 580 Q CB -0.284 28.418 28.738 -0.061 0.000 0.901 580 Q HN 0.625 nan 8.270 nan 0.000 0.429 581 A N 0.728 123.528 122.820 -0.035 0.000 1.929 581 A HA 0.015 4.336 4.320 0.002 0.000 0.216 581 A C 2.199 179.767 177.584 -0.027 0.000 1.176 581 A CA 1.219 53.236 52.037 -0.032 0.000 0.628 581 A CB -0.480 18.502 19.000 -0.031 0.000 0.816 581 A HN 0.369 nan 8.150 nan 0.000 0.444 582 A N -0.922 121.884 122.820 -0.023 0.000 2.172 582 A HA 0.310 4.632 4.320 0.002 0.000 0.216 582 A C 1.234 178.805 177.584 -0.023 0.000 1.154 582 A CA 0.801 52.826 52.037 -0.020 0.000 0.701 582 A CB -0.344 18.646 19.000 -0.016 0.000 0.789 582 A HN 0.463 nan 8.150 nan 0.000 0.465 583 L N -3.274 117.932 121.223 -0.027 0.000 2.670 583 L HA 0.831 5.172 4.340 0.002 0.000 0.251 583 L C 0.654 177.499 176.870 -0.042 0.000 1.548 583 L CA -0.497 54.322 54.840 -0.035 0.000 1.643 583 L CB 0.574 42.608 42.059 -0.041 0.000 2.174 583 L HN 0.314 nan 8.230 nan 0.000 0.585 584 G N 0.000 108.764 108.800 -0.061 0.000 5.446 584 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 584 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 584 G CA 0.000 45.062 45.100 -0.062 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925