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 3b9l_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.334 175.328 0.009 0.000 0.993 3 H CA 0.000 56.028 56.048 -0.033 0.000 1.023 3 H CB 0.000 29.794 29.762 0.053 0.000 1.292 4 K N 0.345 121.075 120.400 0.550 0.000 2.305 4 K HA 0.132 4.465 4.320 0.021 0.000 0.199 4 K C 0.181 176.871 176.600 0.150 0.000 1.047 4 K CA 0.818 57.271 56.287 0.277 0.000 0.976 4 K CB 0.406 33.050 32.500 0.241 0.000 0.765 4 K HN 0.129 nan 8.250 nan 0.000 0.474 5 S N 0.037 115.823 115.700 0.143 0.000 2.619 5 S HA 0.127 4.609 4.470 0.021 0.000 0.280 5 S C 0.112 174.800 174.600 0.147 0.000 1.150 5 S CA -0.793 57.472 58.200 0.108 0.000 0.978 5 S CB 1.689 64.909 63.200 0.035 0.000 1.041 5 S HN 0.214 nan 8.310 nan 0.000 0.485 6 E N 2.996 123.290 120.200 0.157 0.000 2.028 6 E HA -0.106 4.256 4.350 0.021 0.000 0.191 6 E C 1.714 178.450 176.600 0.228 0.000 0.988 6 E CA 1.762 58.273 56.400 0.184 0.000 0.799 6 E CB -0.122 29.676 29.700 0.163 0.000 0.755 6 E HN 0.678 nan 8.360 nan 0.000 0.447 7 V N 1.784 121.827 119.914 0.216 0.000 2.250 7 V HA -0.379 3.754 4.120 0.021 0.000 0.253 7 V C 2.510 178.702 176.094 0.163 0.000 1.065 7 V CA 2.198 64.642 62.300 0.239 0.000 1.039 7 V CB -1.426 30.502 31.823 0.175 0.000 0.647 7 V HN 0.425 nan 8.190 nan 0.000 0.446 8 A N -0.390 122.460 122.820 0.049 0.000 1.859 8 A HA -0.343 3.990 4.320 0.021 0.000 0.217 8 A C 2.305 179.958 177.584 0.115 0.000 1.198 8 A CA 2.299 54.332 52.037 -0.007 0.000 0.629 8 A CB -1.139 17.825 19.000 -0.059 0.000 0.830 8 A HN 0.741 nan 8.150 nan 0.000 0.446 9 H N -0.285 118.834 119.070 0.082 0.000 2.353 9 H HA -0.138 4.431 4.556 0.021 0.000 0.298 9 H C 2.098 177.516 175.328 0.151 0.000 1.103 9 H CA 1.992 58.110 56.048 0.116 0.000 1.293 9 H CB 0.035 29.884 29.762 0.145 0.000 1.372 9 H HN 0.260 nan 8.280 nan 0.000 0.501 10 R N -0.218 120.448 120.500 0.278 0.000 2.115 10 R HA -0.101 4.252 4.340 0.021 0.000 0.226 10 R C 2.316 178.776 176.300 0.267 0.000 1.100 10 R CA 0.573 56.836 56.100 0.272 0.000 0.980 10 R CB -1.366 29.149 30.300 0.359 0.000 0.875 10 R HN 0.337 nan 8.270 nan 0.000 0.445 11 F N 2.074 122.060 119.950 0.060 0.000 2.113 11 F HA -0.098 4.442 4.527 0.022 0.000 0.297 11 F C 2.073 177.805 175.800 -0.113 0.000 1.103 11 F CA 1.456 59.348 58.000 -0.179 0.000 1.248 11 F CB 0.013 38.703 39.000 -0.517 0.000 0.999 11 F HN -0.132 nan 8.300 nan 0.000 0.475 12 K N 0.050 120.530 120.400 0.133 0.000 2.009 12 K HA -0.228 4.104 4.320 0.021 0.000 0.210 12 K C 1.652 178.213 176.600 -0.066 0.000 1.049 12 K CA 2.081 58.387 56.287 0.032 0.000 0.929 12 K CB -0.550 31.936 32.500 -0.023 0.000 0.714 12 K HN 0.455 nan 8.250 nan 0.000 0.440 13 D N 0.005 120.334 120.400 -0.118 0.000 2.249 13 D HA -0.109 4.544 4.640 0.021 0.000 0.205 13 D C 1.675 177.943 176.300 -0.052 0.000 0.962 13 D CA 0.495 54.438 54.000 -0.095 0.000 0.860 13 D CB -0.134 40.589 40.800 -0.128 0.000 0.955 13 D HN -0.022 nan 8.370 nan 0.000 0.505 14 L N 0.305 121.503 121.223 -0.040 0.000 2.131 14 L HA 0.310 4.663 4.340 0.021 0.000 0.206 14 L C 1.269 178.084 176.870 -0.093 0.000 1.087 14 L CA 1.484 56.312 54.840 -0.020 0.000 0.767 14 L CB -0.774 41.325 42.059 0.067 0.000 0.917 14 L HN 0.427 nan 8.230 nan 0.000 0.441 15 G N -0.839 107.822 108.800 -0.231 0.000 2.692 15 G HA2 -0.227 3.745 3.960 0.021 0.000 0.686 15 G HA3 -0.227 3.745 3.960 0.021 0.000 0.686 15 G C 0.477 175.064 174.900 -0.522 0.000 1.243 15 G CA 0.076 44.990 45.100 -0.310 0.000 0.782 15 G HN 0.209 nan 8.290 nan 0.000 0.625 16 E N -0.061 119.790 120.200 -0.583 0.000 2.085 16 E HA -0.181 4.182 4.350 0.021 0.000 0.194 16 E C 2.140 178.672 176.600 -0.113 0.000 0.994 16 E CA 1.741 57.845 56.400 -0.493 0.000 0.801 16 E CB -0.015 29.641 29.700 -0.072 0.000 0.743 16 E HN 0.558 nan 8.360 nan 0.000 0.453 17 E N 0.687 120.856 120.200 -0.052 0.000 2.031 17 E HA -0.162 4.201 4.350 0.021 0.000 0.193 17 E C 1.899 178.523 176.600 0.039 0.000 0.994 17 E CA 0.810 57.223 56.400 0.020 0.000 0.800 17 E CB -0.491 29.222 29.700 0.022 0.000 0.752 17 E HN 0.347 nan 8.360 nan 0.000 0.447 18 N N 0.510 119.218 118.700 0.014 0.000 2.120 18 N HA -0.145 4.608 4.740 0.021 0.000 0.188 18 N C 1.851 177.386 175.510 0.040 0.000 1.024 18 N CA 0.624 53.690 53.050 0.025 0.000 0.852 18 N CB -0.526 37.968 38.487 0.011 0.000 1.003 18 N HN 0.094 nan 8.380 nan 0.000 0.424 19 F N 2.466 122.337 119.950 -0.132 0.000 2.043 19 F HA -0.230 4.310 4.527 0.021 0.000 0.297 19 F C 2.293 178.103 175.800 0.016 0.000 1.121 19 F CA 1.711 59.653 58.000 -0.097 0.000 1.199 19 F CB -0.133 38.711 39.000 -0.259 0.000 0.968 19 F HN -0.092 nan 8.300 nan 0.000 0.478 20 K N -0.118 120.452 120.400 0.283 0.000 2.074 20 K HA -0.225 4.108 4.320 0.021 0.000 0.209 20 K C 2.197 178.862 176.600 0.108 0.000 1.048 20 K CA 1.439 57.857 56.287 0.219 0.000 0.926 20 K CB -0.585 32.033 32.500 0.197 0.000 0.713 20 K HN 0.405 nan 8.250 nan 0.000 0.444 21 A N 0.847 123.711 122.820 0.075 0.000 1.968 21 A HA -0.052 4.281 4.320 0.021 0.000 0.217 21 A C 2.047 179.643 177.584 0.019 0.000 1.169 21 A CA 0.992 53.066 52.037 0.062 0.000 0.638 21 A CB -0.337 18.701 19.000 0.063 0.000 0.812 21 A HN 0.136 nan 8.150 nan 0.000 0.446 22 L N -0.829 120.365 121.223 -0.050 0.000 2.095 22 L HA -0.085 4.268 4.340 0.021 0.000 0.204 22 L C 2.451 179.256 176.870 -0.109 0.000 1.080 22 L CA 0.616 55.394 54.840 -0.103 0.000 0.759 22 L CB -0.428 41.528 42.059 -0.171 0.000 0.914 22 L HN 0.203 nan 8.230 nan 0.000 0.439 23 V N 0.205 120.034 119.914 -0.140 0.000 2.332 23 V HA -0.298 3.835 4.120 0.021 0.000 0.248 23 V C 2.420 178.635 176.094 0.202 0.000 1.055 23 V CA 1.800 64.092 62.300 -0.013 0.000 1.038 23 V CB -0.424 31.418 31.823 0.031 0.000 0.651 23 V HN 0.348 nan 8.190 nan 0.000 0.450 24 L N 0.205 121.530 121.223 0.170 0.000 2.017 24 L HA -0.142 4.211 4.340 0.021 0.000 0.208 24 L C 2.187 179.154 176.870 0.162 0.000 1.073 24 L CA 1.977 56.945 54.840 0.214 0.000 0.745 24 L CB -0.538 41.626 42.059 0.175 0.000 0.894 24 L HN 0.252 nan 8.230 nan 0.000 0.432 25 I N -0.273 120.345 120.570 0.080 0.000 2.286 25 I HA -0.277 3.906 4.170 0.021 0.000 0.248 25 I C 2.620 178.755 176.117 0.031 0.000 1.115 25 I CA 0.993 62.312 61.300 0.031 0.000 1.392 25 I CB -0.871 37.127 38.000 -0.005 0.000 1.065 25 I HN 0.403 nan 8.210 nan 0.000 0.418 26 A N 1.476 124.306 122.820 0.016 0.000 1.841 26 A HA -0.229 4.104 4.320 0.021 0.000 0.216 26 A C 2.085 179.784 177.584 0.191 0.000 1.199 26 A CA 1.754 53.786 52.037 -0.009 0.000 0.621 26 A CB -1.201 17.656 19.000 -0.238 0.000 0.835 26 A HN 0.308 nan 8.150 nan 0.000 0.445 27 F N 0.244 120.398 119.950 0.340 0.000 2.202 27 F HA -0.100 4.440 4.527 0.022 0.000 0.301 27 F C 2.770 178.727 175.800 0.262 0.000 1.082 27 F CA 0.868 59.074 58.000 0.344 0.000 1.313 27 F CB -0.603 38.578 39.000 0.301 0.000 1.024 27 F HN 0.260 nan 8.300 nan 0.000 0.495 28 A N -0.562 122.378 122.820 0.199 0.000 2.019 28 A HA -0.207 4.125 4.320 0.021 0.000 0.219 28 A C 2.075 179.638 177.584 -0.035 0.000 1.164 28 A CA 1.459 53.430 52.037 -0.110 0.000 0.644 28 A CB -0.616 18.277 19.000 -0.179 0.000 0.805 28 A HN 0.494 nan 8.150 nan 0.000 0.449 29 Q N -2.304 117.495 119.800 -0.003 0.000 2.331 29 Q HA -0.026 4.326 4.340 0.021 0.000 0.203 29 Q C 1.248 177.087 176.000 -0.269 0.000 0.944 29 Q CA 0.947 56.648 55.803 -0.170 0.000 0.892 29 Q CB -0.052 28.537 28.738 -0.248 0.000 0.983 29 Q HN 0.855 nan 8.270 nan 0.000 0.482 30 Y N 0.036 120.330 120.300 -0.011 0.000 2.296 30 Y HA 0.001 4.564 4.550 0.022 0.000 0.271 30 Y C 0.839 176.661 175.900 -0.130 0.000 1.102 30 Y CA -0.178 57.885 58.100 -0.062 0.000 1.147 30 Y CB 0.008 38.446 38.460 -0.037 0.000 1.070 30 Y HN -0.048 nan 8.280 nan 0.000 0.495 31 L N 2.692 124.020 121.223 0.174 0.000 2.869 31 L HA -0.044 4.309 4.340 0.021 0.000 0.240 31 L C 1.063 178.176 176.870 0.405 0.000 1.448 31 L CA 0.633 55.584 54.840 0.185 0.000 1.158 31 L CB -1.583 40.672 42.059 0.327 0.000 1.497 31 L HN 0.407 nan 8.230 nan 0.000 0.447 32 Q N -0.737 119.209 119.800 0.243 0.000 2.364 32 Q HA -0.156 4.197 4.340 0.021 0.000 0.207 32 Q C 1.363 177.521 176.000 0.263 0.000 0.970 32 Q CA 0.837 56.748 55.803 0.181 0.000 0.888 32 Q CB 0.157 28.928 28.738 0.056 0.000 0.951 32 Q HN 0.577 nan 8.270 nan 0.000 0.469 33 Q N -0.560 119.497 119.800 0.427 0.000 2.376 33 Q HA 0.041 4.393 4.340 0.021 0.000 0.206 33 Q C 0.671 176.808 176.000 0.228 0.000 0.921 33 Q CA 0.221 56.173 55.803 0.248 0.000 0.911 33 Q CB 0.292 29.064 28.738 0.056 0.000 1.032 33 Q HN 0.325 nan 8.270 nan 0.000 0.510 34 C N 3.735 123.229 119.300 0.324 0.000 2.689 34 C HA 0.206 4.679 4.460 0.021 0.000 0.409 34 C C -1.732 173.438 174.990 0.301 0.000 1.293 34 C CA -1.003 58.127 59.018 0.187 0.000 2.136 34 C CB 0.187 27.921 27.740 -0.010 0.000 2.719 34 C HN 0.276 nan 8.230 nan 0.000 0.644 35 P HA 0.054 nan 4.420 nan 0.000 0.275 35 P C 0.547 177.886 177.300 0.064 0.000 1.228 35 P CA -0.086 63.099 63.100 0.143 0.000 0.786 35 P CB 0.414 32.137 31.700 0.038 0.000 0.927 36 F N 3.244 122.951 119.950 -0.406 0.000 2.063 36 F HA -0.291 4.249 4.527 0.021 0.000 0.298 36 F C 1.787 177.418 175.800 -0.282 0.000 1.105 36 F CA 2.195 59.736 58.000 -0.765 0.000 1.215 36 F CB -0.908 37.547 39.000 -0.908 0.000 0.972 36 F HN 0.313 nan 8.300 nan 0.000 0.483 37 E N 0.204 120.198 120.200 -0.344 0.000 2.130 37 E HA -0.241 4.121 4.350 0.021 0.000 0.196 37 E C 1.745 178.149 176.600 -0.327 0.000 0.998 37 E CA 1.817 57.991 56.400 -0.377 0.000 0.806 37 E CB -0.528 29.074 29.700 -0.165 0.000 0.738 37 E HN 0.520 nan 8.360 nan 0.000 0.459 38 D N -0.582 119.664 120.400 -0.255 0.000 2.123 38 D HA -0.098 4.555 4.640 0.021 0.000 0.200 38 D C 1.696 177.804 176.300 -0.319 0.000 0.976 38 D CA 0.928 54.767 54.000 -0.269 0.000 0.831 38 D CB -0.108 40.530 40.800 -0.271 0.000 0.974 38 D HN 0.304 nan 8.370 nan 0.000 0.469 39 H N -0.192 118.749 119.070 -0.215 0.000 2.423 39 H HA -0.003 4.566 4.556 0.021 0.000 0.297 39 H C 2.139 177.323 175.328 -0.241 0.000 1.075 39 H CA 0.598 56.547 56.048 -0.165 0.000 1.342 39 H CB -0.053 29.705 29.762 -0.007 0.000 1.395 39 H HN 0.065 nan 8.280 nan 0.000 0.530 40 V N 1.340 121.068 119.914 -0.309 0.000 2.358 40 V HA -0.241 3.892 4.120 0.021 0.000 0.246 40 V C 2.616 178.596 176.094 -0.190 0.000 1.047 40 V CA 1.956 64.067 62.300 -0.315 0.000 1.035 40 V CB -0.354 31.157 31.823 -0.520 0.000 0.658 40 V HN 0.263 nan 8.190 nan 0.000 0.452 41 K N 0.701 120.979 120.400 -0.204 0.000 2.009 41 K HA -0.179 4.154 4.320 0.021 0.000 0.210 41 K C 2.041 178.556 176.600 -0.141 0.000 1.049 41 K CA 1.823 58.018 56.287 -0.154 0.000 0.929 41 K CB -0.732 31.671 32.500 -0.161 0.000 0.714 41 K HN 0.354 nan 8.250 nan 0.000 0.440 42 L N 0.250 121.357 121.223 -0.193 0.000 1.956 42 L HA -0.253 4.100 4.340 0.021 0.000 0.216 42 L C 2.250 179.043 176.870 -0.129 0.000 1.073 42 L CA 1.875 56.565 54.840 -0.250 0.000 0.762 42 L CB -0.490 41.316 42.059 -0.423 0.000 0.889 42 L HN 0.139 nan 8.230 nan 0.000 0.433 43 V N 0.318 120.206 119.914 -0.043 0.000 2.282 43 V HA -0.367 3.766 4.120 0.021 0.000 0.249 43 V C 2.268 178.428 176.094 0.110 0.000 1.057 43 V CA 2.235 64.589 62.300 0.090 0.000 1.032 43 V CB -0.881 31.008 31.823 0.110 0.000 0.645 43 V HN 0.539 nan 8.190 nan 0.000 0.447 44 N N -0.223 118.503 118.700 0.043 0.000 2.104 44 N HA -0.176 4.577 4.740 0.021 0.000 0.190 44 N C 1.847 177.395 175.510 0.063 0.000 1.024 44 N CA 1.570 54.652 53.050 0.053 0.000 0.853 44 N CB -0.251 38.237 38.487 0.002 0.000 1.008 44 N HN 0.626 nan 8.380 nan 0.000 0.424 45 E N 0.408 120.623 120.200 0.025 0.000 2.007 45 E HA -0.115 4.248 4.350 0.021 0.000 0.194 45 E C 2.052 178.722 176.600 0.117 0.000 0.999 45 E CA 1.217 57.636 56.400 0.032 0.000 0.811 45 E CB -0.087 29.593 29.700 -0.034 0.000 0.762 45 E HN 0.001 nan 8.360 nan 0.000 0.450 46 V N 1.153 121.151 119.914 0.140 0.000 2.317 46 V HA -0.323 3.810 4.120 0.021 0.000 0.251 46 V C 2.327 178.658 176.094 0.395 0.000 1.065 46 V CA 2.303 64.780 62.300 0.295 0.000 1.049 46 V CB -0.883 31.148 31.823 0.347 0.000 0.651 46 V HN 0.370 nan 8.190 nan 0.000 0.450 47 T N -1.102 113.657 114.554 0.342 0.000 2.867 47 T HA -0.177 4.186 4.350 0.021 0.000 0.268 47 T C 1.896 176.655 174.700 0.098 0.000 1.057 47 T CA 1.546 63.834 62.100 0.313 0.000 1.136 47 T CB -0.166 68.898 68.868 0.326 0.000 0.874 47 T HN 0.471 nan 8.240 nan 0.000 0.466 48 E N 0.399 120.657 120.200 0.096 0.000 2.107 48 E HA 0.006 4.369 4.350 0.021 0.000 0.191 48 E C 1.591 178.192 176.600 0.001 0.000 0.982 48 E CA 0.514 56.926 56.400 0.020 0.000 0.809 48 E CB -0.333 29.391 29.700 0.040 0.000 0.756 48 E HN 0.482 nan 8.360 nan 0.000 0.459 49 F N 0.934 120.863 119.950 -0.035 0.000 2.051 49 F HA -0.171 4.369 4.527 0.021 0.000 0.296 49 F C 2.023 177.762 175.800 -0.103 0.000 1.122 49 F CA 1.773 59.750 58.000 -0.039 0.000 1.201 49 F CB -0.984 38.029 39.000 0.021 0.000 0.978 49 F HN 0.054 nan 8.300 nan 0.000 0.472 50 A N 0.726 123.362 122.820 -0.307 0.000 1.896 50 A HA -0.335 3.998 4.320 0.021 0.000 0.220 50 A C 2.280 179.375 177.584 -0.814 0.000 1.206 50 A CA 2.572 54.258 52.037 -0.585 0.000 0.647 50 A CB -1.088 17.599 19.000 -0.522 0.000 0.828 50 A HN 0.541 nan 8.150 nan 0.000 0.455 51 K N -1.299 118.641 120.400 -0.768 0.000 2.218 51 K HA -0.129 4.204 4.320 0.021 0.000 0.205 51 K C 2.059 178.386 176.600 -0.455 0.000 1.046 51 K CA 1.654 57.533 56.287 -0.680 0.000 0.933 51 K CB -0.389 31.855 32.500 -0.426 0.000 0.728 51 K HN 0.536 nan 8.250 nan 0.000 0.454 52 T N 0.399 114.710 114.554 -0.405 0.000 2.777 52 T HA -0.131 4.232 4.350 0.021 0.000 0.266 52 T C 1.875 176.374 174.700 -0.334 0.000 1.040 52 T CA 1.119 63.038 62.100 -0.302 0.000 1.141 52 T CB -0.187 68.539 68.868 -0.236 0.000 0.868 52 T HN 0.344 nan 8.240 nan 0.000 0.444 53 c N 0.928 119.235 118.600 -0.488 0.000 2.500 53 c HA 0.173 4.756 4.570 0.021 0.000 0.273 53 c C 2.650 176.561 174.090 -0.299 0.000 1.428 53 c CA -0.266 55.831 56.329 -0.388 0.000 1.766 53 c CB -1.062 41.157 42.510 -0.484 0.000 1.817 53 c HN 0.337 nan 8.230 nan 0.000 0.543 54 V N 0.992 120.695 119.914 -0.351 0.000 2.599 54 V HA -0.010 4.122 4.120 0.021 0.000 0.245 54 V C 2.631 178.605 176.094 -0.200 0.000 1.046 54 V CA 1.867 64.000 62.300 -0.279 0.000 1.065 54 V CB -0.871 30.728 31.823 -0.373 0.000 0.703 54 V HN 0.524 nan 8.190 nan 0.000 0.464 55 A N -0.130 122.569 122.820 -0.202 0.000 1.897 55 A HA -0.111 4.221 4.320 0.021 0.000 0.215 55 A C 1.251 178.767 177.584 -0.113 0.000 1.181 55 A CA 1.746 53.700 52.037 -0.139 0.000 0.620 55 A CB -0.141 18.780 19.000 -0.131 0.000 0.821 55 A HN 0.529 nan 8.150 nan 0.000 0.443 56 D N -0.780 119.547 120.400 -0.122 0.000 2.378 56 D HA 0.196 4.848 4.640 0.021 0.000 0.265 56 D C 0.380 176.620 176.300 -0.100 0.000 1.229 56 D CA -0.247 53.698 54.000 -0.091 0.000 0.914 56 D CB 0.366 41.125 40.800 -0.068 0.000 1.140 56 D HN 0.485 nan 8.370 nan 0.000 0.516 57 E N 1.198 121.336 120.200 -0.103 0.000 2.499 57 E HA -0.115 4.248 4.350 0.021 0.000 0.207 57 E C 0.429 176.999 176.600 -0.050 0.000 1.175 57 E CA 0.266 56.606 56.400 -0.100 0.000 0.932 57 E CB 0.046 29.666 29.700 -0.133 0.000 0.906 57 E HN 0.125 nan 8.360 nan 0.000 0.556 58 S N -0.743 114.934 115.700 -0.037 0.000 2.893 58 S HA 0.387 4.870 4.470 0.021 0.000 0.258 58 S C 0.475 175.076 174.600 0.002 0.000 1.034 58 S CA 0.059 58.256 58.200 -0.004 0.000 1.167 58 S CB 0.377 63.579 63.200 0.002 0.000 1.137 58 S HN 0.465 nan 8.310 nan 0.000 0.650 59 A N 1.657 124.467 122.820 -0.017 0.000 2.455 59 A HA 0.298 4.630 4.320 0.021 0.000 0.244 59 A C 0.320 177.934 177.584 0.050 0.000 1.099 59 A CA -0.085 51.953 52.037 0.002 0.000 0.786 59 A CB -0.114 18.869 19.000 -0.028 0.000 1.051 59 A HN 0.666 nan 8.150 nan 0.000 0.508 60 E N 0.301 120.542 120.200 0.069 0.000 2.502 60 E HA -0.070 4.293 4.350 0.021 0.000 0.261 60 E C 0.145 176.846 176.600 0.169 0.000 0.974 60 E CA 0.605 57.061 56.400 0.094 0.000 0.936 60 E CB 0.009 29.753 29.700 0.075 0.000 0.926 60 E HN 0.655 nan 8.360 nan 0.000 0.459 61 N N 1.841 120.626 118.700 0.142 0.000 2.895 61 N HA -0.262 4.490 4.740 0.021 0.000 0.237 61 N C 0.757 176.447 175.510 0.299 0.000 0.934 61 N CA 1.289 54.444 53.050 0.175 0.000 0.984 61 N CB -1.839 36.714 38.487 0.110 0.000 1.089 61 N HN 0.522 nan 8.380 nan 0.000 0.604 62 c N 1.534 120.301 118.600 0.278 0.000 2.437 62 c HA -0.085 4.498 4.570 0.021 0.000 0.283 62 c C 2.142 176.334 174.090 0.170 0.000 1.424 62 c CA 0.872 57.334 56.329 0.222 0.000 1.782 62 c CB -0.901 41.619 42.510 0.018 0.000 1.833 62 c HN 0.535 nan 8.230 nan 0.000 0.532 63 D N 0.090 120.576 120.400 0.143 0.000 2.317 63 D HA -0.059 4.594 4.640 0.021 0.000 0.211 63 D C 0.587 176.963 176.300 0.127 0.000 0.966 63 D CA 0.617 54.687 54.000 0.115 0.000 0.876 63 D CB -0.228 40.625 40.800 0.088 0.000 0.927 63 D HN 0.251 nan 8.370 nan 0.000 0.519 64 K N 1.638 122.128 120.400 0.150 0.000 2.380 64 K HA 0.091 4.424 4.320 0.021 0.000 0.267 64 K C 0.767 177.463 176.600 0.161 0.000 0.990 64 K CA -0.072 56.299 56.287 0.140 0.000 0.946 64 K CB 0.993 33.569 32.500 0.126 0.000 0.937 64 K HN 0.253 nan 8.250 nan 0.000 0.491 65 S N 1.534 117.324 115.700 0.149 0.000 2.603 65 S HA 0.156 4.639 4.470 0.021 0.000 0.268 65 S C 1.649 176.358 174.600 0.181 0.000 1.317 65 S CA -0.677 57.623 58.200 0.167 0.000 1.012 65 S CB 0.593 63.898 63.200 0.176 0.000 0.926 65 S HN 0.527 nan 8.310 nan 0.000 0.539 66 L N 0.886 122.204 121.223 0.158 0.000 1.989 66 L HA -0.158 4.195 4.340 0.021 0.000 0.211 66 L C 2.607 179.534 176.870 0.095 0.000 1.071 66 L CA 2.002 56.905 54.840 0.105 0.000 0.749 66 L CB -0.898 41.155 42.059 -0.009 0.000 0.890 66 L HN 0.843 nan 8.230 nan 0.000 0.431 67 H N -0.983 118.143 119.070 0.093 0.000 2.265 67 H HA -0.209 4.360 4.556 0.021 0.000 0.293 67 H C 2.267 177.695 175.328 0.166 0.000 1.089 67 H CA 2.202 58.315 56.048 0.108 0.000 1.244 67 H CB -0.701 29.112 29.762 0.086 0.000 1.355 67 H HN 0.298 nan 8.280 nan 0.000 0.485 68 T N 1.071 115.787 114.554 0.270 0.000 2.597 68 T HA -0.219 4.144 4.350 0.021 0.000 0.267 68 T C 2.227 177.013 174.700 0.143 0.000 1.053 68 T CA 1.705 63.913 62.100 0.181 0.000 1.165 68 T CB -0.605 68.347 68.868 0.140 0.000 0.863 68 T HN 0.161 nan 8.240 nan 0.000 0.427 69 L N -0.290 121.016 121.223 0.138 0.000 2.013 69 L HA -0.111 4.242 4.340 0.021 0.000 0.212 69 L C 2.335 179.272 176.870 0.112 0.000 1.073 69 L CA 1.579 56.472 54.840 0.088 0.000 0.753 69 L CB -0.686 41.447 42.059 0.123 0.000 0.890 69 L HN 0.161 nan 8.230 nan 0.000 0.432 70 F N 0.944 120.897 119.950 0.006 0.000 2.069 70 F HA -0.192 4.348 4.527 0.022 0.000 0.298 70 F C 2.273 178.021 175.800 -0.087 0.000 1.113 70 F CA 1.747 59.716 58.000 -0.052 0.000 1.214 70 F CB -0.821 38.051 39.000 -0.214 0.000 0.978 70 F HN -0.000 nan 8.300 nan 0.000 0.474 71 G N -0.369 108.430 108.800 -0.001 0.000 2.418 71 G HA2 -0.269 3.704 3.960 0.021 0.000 0.217 71 G HA3 -0.269 3.704 3.960 0.021 0.000 0.217 71 G C 1.407 176.258 174.900 -0.081 0.000 1.158 71 G CA 1.037 46.087 45.100 -0.084 0.000 0.771 71 G HN 0.355 nan 8.290 nan 0.000 0.545 72 D N 0.427 120.812 120.400 -0.025 0.000 2.149 72 D HA -0.067 4.586 4.640 0.021 0.000 0.198 72 D C 2.394 178.634 176.300 -0.099 0.000 0.990 72 D CA 0.738 54.716 54.000 -0.037 0.000 0.839 72 D CB -0.037 40.742 40.800 -0.035 0.000 0.948 72 D HN 0.130 nan 8.370 nan 0.000 0.460 73 K N 0.324 120.638 120.400 -0.144 0.000 2.103 73 K HA -0.044 4.289 4.320 0.021 0.000 0.204 73 K C 2.072 178.521 176.600 -0.251 0.000 1.052 73 K CA 0.071 56.243 56.287 -0.192 0.000 0.945 73 K CB -0.372 32.029 32.500 -0.165 0.000 0.722 73 K HN 0.104 nan 8.250 nan 0.000 0.443 74 L N 0.769 121.789 121.223 -0.339 0.000 2.083 74 L HA -0.185 4.168 4.340 0.021 0.000 0.209 74 L C 2.156 178.918 176.870 -0.180 0.000 1.083 74 L CA 1.457 56.060 54.840 -0.394 0.000 0.752 74 L CB -0.710 40.818 42.059 -0.885 0.000 0.899 74 L HN 0.123 nan 8.230 nan 0.000 0.433 75 c N -1.300 117.248 118.600 -0.087 0.000 2.522 75 c HA -0.006 4.576 4.570 0.021 0.000 0.271 75 c C 2.531 176.611 174.090 -0.017 0.000 1.425 75 c CA 0.865 57.207 56.329 0.022 0.000 1.751 75 c CB -1.497 41.060 42.510 0.078 0.000 1.775 75 c HN 0.692 nan 8.230 nan 0.000 0.557 76 T N -2.218 112.296 114.554 -0.067 0.000 3.067 76 T HA 0.053 4.415 4.350 0.021 0.000 0.257 76 T C 0.604 175.262 174.700 -0.070 0.000 1.105 76 T CA 0.245 62.302 62.100 -0.071 0.000 1.104 76 T CB -0.423 68.384 68.868 -0.101 0.000 0.925 76 T HN 0.149 nan 8.240 nan 0.000 0.498 77 V N 2.916 122.785 119.914 -0.075 0.000 2.486 77 V HA 0.195 4.327 4.120 0.021 0.000 0.290 77 V C 2.033 178.111 176.094 -0.026 0.000 0.991 77 V CA 0.224 62.489 62.300 -0.058 0.000 1.142 77 V CB -0.866 30.945 31.823 -0.020 0.000 0.926 77 V HN 0.645 nan 8.190 nan 0.000 0.472 78 A N 5.080 127.875 122.820 -0.042 0.000 1.927 78 A HA -0.178 4.155 4.320 0.021 0.000 0.220 78 A C 1.958 179.528 177.584 -0.023 0.000 1.185 78 A CA 2.339 54.356 52.037 -0.033 0.000 0.639 78 A CB -0.481 18.492 19.000 -0.044 0.000 0.820 78 A HN 1.016 nan 8.150 nan 0.000 0.451 79 T N -3.195 111.344 114.554 -0.025 0.000 3.264 79 T HA 0.407 4.770 4.350 0.021 0.000 0.257 79 T C 1.055 175.749 174.700 -0.009 0.000 0.976 79 T CA 0.185 62.266 62.100 -0.033 0.000 0.908 79 T CB -0.026 68.802 68.868 -0.066 0.000 1.082 79 T HN 0.097 nan 8.240 nan 0.000 0.567 80 L N 1.904 123.162 121.223 0.059 0.000 1.955 80 L HA 0.115 4.468 4.340 0.021 0.000 0.213 80 L C 2.778 179.729 176.870 0.134 0.000 1.072 80 L CA 1.814 56.761 54.840 0.179 0.000 0.755 80 L CB -0.479 41.677 42.059 0.163 0.000 0.888 80 L HN 0.343 nan 8.230 nan 0.000 0.432 81 R N -0.911 119.629 120.500 0.068 0.000 2.152 81 R HA -0.184 4.169 4.340 0.021 0.000 0.232 81 R C 1.877 178.178 176.300 0.001 0.000 1.117 81 R CA 1.546 57.668 56.100 0.038 0.000 0.981 81 R CB -0.021 30.290 30.300 0.018 0.000 0.870 81 R HN 0.418 nan 8.270 nan 0.000 0.451 82 E N -1.024 119.159 120.200 -0.028 0.000 2.216 82 E HA -0.035 4.328 4.350 0.021 0.000 0.192 82 E C 1.510 178.049 176.600 -0.103 0.000 0.988 82 E CA 1.546 57.914 56.400 -0.054 0.000 0.834 82 E CB 0.209 29.876 29.700 -0.055 0.000 0.772 82 E HN 0.266 nan 8.360 nan 0.000 0.479 83 T N -0.966 113.477 114.554 -0.186 0.000 3.046 83 T HA 0.048 4.410 4.350 0.021 0.000 0.242 83 T C 0.723 175.174 174.700 -0.414 0.000 1.018 83 T CA 0.486 62.360 62.100 -0.377 0.000 1.131 83 T CB -0.090 68.386 68.868 -0.654 0.000 0.904 83 T HN 0.108 nan 8.240 nan 0.000 0.459 84 Y N 1.069 121.386 120.300 0.028 0.000 2.449 84 Y HA 0.418 4.981 4.550 0.021 0.000 0.254 84 Y C 2.026 177.934 175.900 0.013 0.000 1.140 84 Y CA -0.498 57.624 58.100 0.038 0.000 1.272 84 Y CB -0.533 37.966 38.460 0.065 0.000 1.114 84 Y HN 0.326 nan 8.280 nan 0.000 0.525 85 G N 1.372 110.226 108.800 0.090 0.000 2.774 85 G HA2 -0.552 3.421 3.960 0.021 0.000 0.342 85 G HA3 -0.552 3.421 3.960 0.021 0.000 0.342 85 G C 1.487 176.398 174.900 0.019 0.000 1.185 85 G CA 1.221 46.347 45.100 0.043 0.000 0.956 85 G HN 0.439 nan 8.290 nan 0.000 0.561 86 E N 0.435 120.633 120.200 -0.004 0.000 2.160 86 E HA -0.154 4.208 4.350 0.021 0.000 0.195 86 E C 2.541 178.982 176.600 -0.266 0.000 0.991 86 E CA 1.774 58.124 56.400 -0.083 0.000 0.810 86 E CB -0.230 29.456 29.700 -0.025 0.000 0.742 86 E HN 0.645 nan 8.360 nan 0.000 0.466 87 M N 0.387 119.838 119.600 -0.249 0.000 2.149 87 M HA -0.168 4.324 4.480 0.021 0.000 0.261 87 M C 2.182 178.391 176.300 -0.152 0.000 1.064 87 M CA 1.822 56.918 55.300 -0.340 0.000 1.102 87 M CB -0.159 32.441 32.600 0.001 0.000 1.369 87 M HN 0.235 nan 8.290 nan 0.000 0.408 88 A N 0.470 123.282 122.820 -0.014 0.000 2.024 88 A HA -0.197 4.135 4.320 0.021 0.000 0.220 88 A C 1.549 179.105 177.584 -0.047 0.000 1.164 88 A CA 1.965 54.021 52.037 0.031 0.000 0.643 88 A CB -0.858 18.174 19.000 0.053 0.000 0.806 88 A HN 0.629 nan 8.150 nan 0.000 0.451 89 D N -0.457 119.877 120.400 -0.110 0.000 2.263 89 D HA -0.113 4.540 4.640 0.021 0.000 0.208 89 D C 1.797 178.002 176.300 -0.159 0.000 0.971 89 D CA 1.072 55.007 54.000 -0.109 0.000 0.867 89 D CB -0.533 40.209 40.800 -0.097 0.000 0.929 89 D HN 0.479 nan 8.370 nan 0.000 0.492 90 c N 0.501 118.925 118.600 -0.292 0.000 2.410 90 c HA -0.151 4.432 4.570 0.021 0.000 0.281 90 c C 2.747 176.637 174.090 -0.333 0.000 1.318 90 c CA 0.100 56.152 56.329 -0.463 0.000 1.776 90 c CB -1.105 40.737 42.510 -1.112 0.000 1.942 90 c HN 0.445 nan 8.230 nan 0.000 0.508 91 c N 0.936 119.443 118.600 -0.156 0.000 2.485 91 c HA 0.089 4.672 4.570 0.021 0.000 0.283 91 c C 2.615 176.696 174.090 -0.016 0.000 1.478 91 c CA 0.892 57.218 56.329 -0.004 0.000 1.741 91 c CB -1.949 40.601 42.510 0.067 0.000 1.675 91 c HN 0.732 nan 8.230 nan 0.000 0.573 92 A N -0.152 122.638 122.820 -0.049 0.000 2.169 92 A HA 0.156 4.488 4.320 0.021 0.000 0.210 92 A C 0.961 178.530 177.584 -0.025 0.000 1.168 92 A CA 0.433 52.453 52.037 -0.028 0.000 0.813 92 A CB 0.048 19.030 19.000 -0.030 0.000 0.861 92 A HN 0.529 nan 8.150 nan 0.000 0.481 93 K N 0.683 121.058 120.400 -0.042 0.000 2.102 93 K HA 0.336 4.669 4.320 0.021 0.000 0.244 93 K C -0.165 176.434 176.600 -0.002 0.000 1.021 93 K CA -0.156 56.116 56.287 -0.026 0.000 0.913 93 K CB 0.325 32.801 32.500 -0.041 0.000 1.062 93 K HN 0.104 nan 8.250 nan 0.000 0.485 94 Q N 2.148 121.952 119.800 0.007 0.000 2.349 94 Q HA 0.000 4.353 4.340 0.021 0.000 0.254 94 Q C 0.399 176.417 176.000 0.030 0.000 0.980 94 Q CA 0.016 55.831 55.803 0.020 0.000 0.924 94 Q CB 1.398 30.146 28.738 0.016 0.000 1.209 94 Q HN 0.639 nan 8.270 nan 0.000 0.445 95 E N 5.016 125.246 120.200 0.050 0.000 2.984 95 E HA -0.298 4.065 4.350 0.021 0.000 0.204 95 E C -1.175 175.460 176.600 0.058 0.000 0.887 95 E CA 3.033 59.476 56.400 0.072 0.000 1.571 95 E CB -1.448 28.295 29.700 0.072 0.000 1.568 95 E HN 0.551 nan 8.360 nan 0.000 0.437 96 P HA -0.204 nan 4.420 nan 0.000 0.216 96 P C 1.155 178.472 177.300 0.029 0.000 1.167 96 P CA 2.632 65.740 63.100 0.014 0.000 0.914 96 P CB -0.253 31.450 31.700 0.005 0.000 0.793 97 E N -0.485 119.728 120.200 0.022 0.000 2.085 97 E HA -0.190 4.173 4.350 0.021 0.000 0.194 97 E C 2.404 179.007 176.600 0.005 0.000 0.994 97 E CA 1.194 57.603 56.400 0.015 0.000 0.801 97 E CB -0.714 28.988 29.700 0.003 0.000 0.743 97 E HN 0.220 nan 8.360 nan 0.000 0.453 98 R N 0.637 121.140 120.500 0.005 0.000 2.080 98 R HA -0.226 4.127 4.340 0.021 0.000 0.236 98 R C 2.139 178.477 176.300 0.063 0.000 1.137 98 R CA 1.941 58.020 56.100 -0.035 0.000 0.943 98 R CB -0.290 30.042 30.300 0.053 0.000 0.846 98 R HN 0.140 nan 8.270 nan 0.000 0.431 99 N N 0.286 119.101 118.700 0.192 0.000 2.120 99 N HA -0.223 4.530 4.740 0.021 0.000 0.188 99 N C 1.640 177.282 175.510 0.221 0.000 1.024 99 N CA 1.851 55.078 53.050 0.294 0.000 0.852 99 N CB -0.131 38.472 38.487 0.194 0.000 1.003 99 N HN 0.264 nan 8.380 nan 0.000 0.424 100 E N -0.129 120.141 120.200 0.116 0.000 2.077 100 E HA -0.120 4.242 4.350 0.021 0.000 0.193 100 E C 2.114 178.761 176.600 0.078 0.000 0.989 100 E CA 0.980 57.431 56.400 0.085 0.000 0.800 100 E CB -0.928 28.818 29.700 0.076 0.000 0.746 100 E HN 0.472 nan 8.360 nan 0.000 0.452 101 c N -0.395 118.228 118.600 0.038 0.000 2.432 101 c HA -0.125 4.458 4.570 0.021 0.000 0.277 101 c C 2.383 176.554 174.090 0.136 0.000 1.249 101 c CA 0.856 57.201 56.329 0.026 0.000 1.725 101 c CB -1.529 40.913 42.510 -0.114 0.000 2.028 101 c HN 0.493 nan 8.230 nan 0.000 0.477 102 F N 0.421 120.501 119.950 0.217 0.000 2.216 102 F HA -0.039 4.501 4.527 0.021 0.000 0.300 102 F C 2.097 178.099 175.800 0.337 0.000 1.085 102 F CA 1.082 59.241 58.000 0.266 0.000 1.326 102 F CB -0.959 38.145 39.000 0.173 0.000 1.027 102 F HN 0.135 nan 8.300 nan 0.000 0.497 103 L N 0.112 121.583 121.223 0.414 0.000 1.970 103 L HA -0.228 4.125 4.340 0.021 0.000 0.212 103 L C 2.314 179.274 176.870 0.150 0.000 1.071 103 L CA 1.852 56.848 54.840 0.259 0.000 0.751 103 L CB -1.451 40.651 42.059 0.072 0.000 0.889 103 L HN 0.212 nan 8.230 nan 0.000 0.432 104 Q N -1.612 118.218 119.800 0.050 0.000 2.439 104 Q HA -0.171 4.181 4.340 0.021 0.000 0.211 104 Q C 1.541 177.446 176.000 -0.158 0.000 0.978 104 Q CA 0.814 56.571 55.803 -0.076 0.000 0.897 104 Q CB -0.046 28.590 28.738 -0.171 0.000 0.956 104 Q HN 0.627 nan 8.270 nan 0.000 0.483 105 H N -0.010 119.132 119.070 0.119 0.000 2.592 105 H HA 0.113 4.682 4.556 0.022 0.000 0.265 105 H C 0.426 175.814 175.328 0.101 0.000 0.955 105 H CA 0.119 56.233 56.048 0.111 0.000 1.175 105 H CB 0.354 30.187 29.762 0.118 0.000 1.433 105 H HN 0.095 nan 8.280 nan 0.000 0.537 106 K N 2.592 123.095 120.400 0.171 0.000 2.472 106 K HA -0.064 4.268 4.320 0.021 0.000 0.280 106 K C -0.383 176.217 176.600 0.000 0.000 1.028 106 K CA -0.036 56.246 56.287 -0.008 0.000 1.045 106 K CB 0.511 32.885 32.500 -0.211 0.000 0.902 106 K HN -0.032 nan 8.250 nan 0.000 0.478 107 D N 2.241 122.626 120.400 -0.026 0.000 2.283 107 D HA 0.034 4.686 4.640 0.021 0.000 0.248 107 D C 0.087 176.365 176.300 -0.038 0.000 1.072 107 D CA -0.276 53.734 54.000 0.018 0.000 0.929 107 D CB 1.361 42.188 40.800 0.045 0.000 1.182 107 D HN 0.724 nan 8.370 nan 0.000 0.433 108 D N 1.404 121.846 120.400 0.070 0.000 2.479 108 D HA -0.064 4.589 4.640 0.021 0.000 0.216 108 D C -0.314 176.017 176.300 0.051 0.000 1.110 108 D CA -0.046 54.030 54.000 0.126 0.000 0.841 108 D CB 0.294 41.328 40.800 0.390 0.000 1.040 108 D HN 0.294 nan 8.370 nan 0.000 0.505 109 N N 1.201 119.919 118.700 0.030 0.000 2.990 109 N HA 0.262 5.014 4.740 0.021 0.000 0.288 109 N C -2.826 172.680 175.510 -0.007 0.000 1.624 109 N CA -1.570 51.484 53.050 0.006 0.000 0.961 109 N CB 1.095 39.593 38.487 0.018 0.000 1.259 109 N HN -0.151 nan 8.380 nan 0.000 0.489 110 P HA 0.088 nan 4.420 nan 0.000 0.264 110 P C -0.637 176.646 177.300 -0.028 0.000 1.229 110 P CA -0.024 63.059 63.100 -0.028 0.000 0.780 110 P CB 0.164 31.824 31.700 -0.066 0.000 0.808 111 N N 4.284 122.980 118.700 -0.006 0.000 2.950 111 N HA 0.012 4.765 4.740 0.021 0.000 0.313 111 N C -0.196 175.306 175.510 -0.013 0.000 1.213 111 N CA 0.512 53.558 53.050 -0.008 0.000 1.184 111 N CB -0.233 38.256 38.487 0.002 0.000 1.454 111 N HN 0.389 nan 8.380 nan 0.000 0.532 112 L N 1.065 122.271 121.223 -0.029 0.000 2.333 112 L HA 0.526 4.879 4.340 0.021 0.000 0.269 112 L C -1.921 174.930 176.870 -0.032 0.000 1.010 112 L CA -2.011 52.810 54.840 -0.031 0.000 0.818 112 L CB 1.212 43.239 42.059 -0.053 0.000 1.306 112 L HN 0.017 nan 8.230 nan 0.000 0.430 113 P HA 0.128 nan 4.420 nan 0.000 0.269 113 P C -0.938 176.351 177.300 -0.019 0.000 1.209 113 P CA -0.571 62.520 63.100 -0.015 0.000 0.776 113 P CB 0.377 32.074 31.700 -0.006 0.000 0.876 114 R N 2.187 122.680 120.500 -0.011 0.000 2.640 114 R HA 0.132 4.485 4.340 0.021 0.000 0.270 114 R C -0.501 175.802 176.300 0.004 0.000 1.024 114 R CA -0.524 55.572 56.100 -0.007 0.000 1.085 114 R CB -0.058 30.244 30.300 0.003 0.000 0.963 114 R HN 0.260 nan 8.270 nan 0.000 0.426 115 L N 5.307 126.535 121.223 0.009 0.000 2.361 115 L HA 0.143 4.496 4.340 0.021 0.000 0.278 115 L C -0.294 176.604 176.870 0.046 0.000 1.113 115 L CA -0.221 54.639 54.840 0.032 0.000 0.849 115 L CB 1.222 43.304 42.059 0.038 0.000 1.155 115 L HN 0.606 nan 8.230 nan 0.000 0.452 116 V N 3.754 123.704 119.914 0.060 0.000 2.617 116 V HA 0.567 4.700 4.120 0.021 0.000 0.298 116 V C 0.223 176.361 176.094 0.074 0.000 1.048 116 V CA -0.963 61.371 62.300 0.057 0.000 0.964 116 V CB 1.297 33.149 31.823 0.049 0.000 1.004 116 V HN 0.873 nan 8.190 nan 0.000 0.466 117 R N 5.502 126.033 120.500 0.051 0.000 2.220 117 R HA 0.423 4.776 4.340 0.021 0.000 0.340 117 R C -2.031 174.310 176.300 0.069 0.000 1.076 117 R CA -1.338 54.791 56.100 0.047 0.000 0.920 117 R CB 0.635 30.955 30.300 0.033 0.000 1.062 117 R HN 0.851 nan 8.270 nan 0.000 0.469 118 P HA 0.065 nan 4.420 nan 0.000 0.277 118 P C -0.791 176.567 177.300 0.097 0.000 1.276 118 P CA -0.346 62.818 63.100 0.105 0.000 0.788 118 P CB 0.590 32.379 31.700 0.147 0.000 1.114 119 E N -0.290 119.961 120.200 0.085 0.000 2.413 119 E HA 0.007 4.370 4.350 0.021 0.000 0.263 119 E C 1.580 178.233 176.600 0.089 0.000 1.015 119 E CA -0.111 56.332 56.400 0.072 0.000 0.916 119 E CB 0.519 30.252 29.700 0.055 0.000 0.947 119 E HN 0.095 nan 8.360 nan 0.000 0.440 120 V N 3.183 123.141 119.914 0.073 0.000 2.278 120 V HA -0.355 3.778 4.120 0.021 0.000 0.251 120 V C 1.980 178.121 176.094 0.078 0.000 1.062 120 V CA 2.464 64.812 62.300 0.080 0.000 1.038 120 V CB -0.698 31.149 31.823 0.041 0.000 0.646 120 V HN 0.702 nan 8.190 nan 0.000 0.447 121 D N 0.839 121.271 120.400 0.053 0.000 2.104 121 D HA -0.185 4.467 4.640 0.021 0.000 0.194 121 D C 2.249 178.580 176.300 0.052 0.000 0.994 121 D CA 1.925 55.949 54.000 0.041 0.000 0.830 121 D CB -0.876 39.941 40.800 0.029 0.000 0.959 121 D HN 0.510 nan 8.370 nan 0.000 0.452 122 V N -0.402 119.554 119.914 0.069 0.000 2.453 122 V HA -0.160 3.972 4.120 0.021 0.000 0.247 122 V C 2.611 178.767 176.094 0.103 0.000 1.048 122 V CA 1.204 63.552 62.300 0.081 0.000 1.049 122 V CB -0.470 31.408 31.823 0.091 0.000 0.672 122 V HN 0.031 nan 8.190 nan 0.000 0.457 123 M N -0.377 119.312 119.600 0.147 0.000 2.067 123 M HA -0.179 4.314 4.480 0.021 0.000 0.260 123 M C 2.446 178.727 176.300 -0.033 0.000 1.069 123 M CA 2.631 58.045 55.300 0.189 0.000 1.117 123 M CB -0.694 32.121 32.600 0.360 0.000 1.334 123 M HN 0.530 nan 8.290 nan 0.000 0.407 124 c N -0.023 118.611 118.600 0.057 0.000 2.413 124 c HA -0.158 4.425 4.570 0.021 0.000 0.276 124 c C 2.859 176.966 174.090 0.028 0.000 1.236 124 c CA 1.567 57.917 56.329 0.037 0.000 1.735 124 c CB -1.114 41.427 42.510 0.053 0.000 2.031 124 c HN 0.583 nan 8.230 nan 0.000 0.474 125 T N 0.883 115.449 114.554 0.020 0.000 2.746 125 T HA -0.123 4.239 4.350 0.021 0.000 0.267 125 T C 2.056 176.765 174.700 0.016 0.000 1.039 125 T CA 1.625 63.746 62.100 0.036 0.000 1.142 125 T CB -0.383 68.503 68.868 0.031 0.000 0.866 125 T HN 0.653 nan 8.240 nan 0.000 0.444 126 A N 0.906 123.685 122.820 -0.068 0.000 1.898 126 A HA 0.007 4.340 4.320 0.021 0.000 0.216 126 A C 1.980 179.328 177.584 -0.393 0.000 1.181 126 A CA 1.182 53.140 52.037 -0.131 0.000 0.620 126 A CB -0.936 18.078 19.000 0.024 0.000 0.819 126 A HN 0.460 nan 8.150 nan 0.000 0.442 127 F N 0.348 119.739 119.950 -0.932 0.000 2.026 127 F HA -0.251 4.289 4.527 0.021 0.000 0.296 127 F C 2.273 177.870 175.800 -0.339 0.000 1.133 127 F CA 2.555 59.985 58.000 -0.950 0.000 1.188 127 F CB -0.821 37.697 39.000 -0.802 0.000 0.968 127 F HN 0.508 nan 8.300 nan 0.000 0.476 128 H N 0.022 119.035 119.070 -0.095 0.000 2.289 128 H HA -0.199 4.370 4.556 0.021 0.000 0.296 128 H C 1.983 177.229 175.328 -0.136 0.000 1.091 128 H CA 2.560 58.556 56.048 -0.088 0.000 1.274 128 H CB -0.655 29.113 29.762 0.010 0.000 1.364 128 H HN 0.285 nan 8.280 nan 0.000 0.490 129 D N -0.436 119.889 120.400 -0.124 0.000 2.117 129 D HA -0.110 4.543 4.640 0.021 0.000 0.197 129 D C 0.203 176.389 176.300 -0.189 0.000 0.987 129 D CA 1.163 55.070 54.000 -0.154 0.000 0.829 129 D CB -0.063 40.732 40.800 -0.008 0.000 0.961 129 D HN 0.293 nan 8.370 nan 0.000 0.460 130 N N 0.061 118.655 118.700 -0.177 0.000 2.732 130 N HA -0.011 4.742 4.740 0.021 0.000 0.247 130 N C 0.203 175.615 175.510 -0.164 0.000 1.305 130 N CA -0.082 52.886 53.050 -0.137 0.000 0.762 130 N CB 1.277 39.738 38.487 -0.043 0.000 1.361 130 N HN -0.072 nan 8.380 nan 0.000 0.545 131 E N 1.256 121.277 120.200 -0.300 0.000 2.058 131 E HA -0.160 4.202 4.350 0.021 0.000 0.194 131 E C 0.659 177.199 176.600 -0.099 0.000 0.997 131 E CA 1.214 57.370 56.400 -0.406 0.000 0.801 131 E CB 0.458 29.815 29.700 -0.571 0.000 0.746 131 E HN 0.486 nan 8.360 nan 0.000 0.450 132 E N -0.258 119.914 120.200 -0.048 0.000 2.047 132 E HA -0.149 4.214 4.350 0.021 0.000 0.191 132 E C 2.343 179.002 176.600 0.098 0.000 0.987 132 E CA 1.826 58.249 56.400 0.038 0.000 0.799 132 E CB -0.446 29.273 29.700 0.033 0.000 0.752 132 E HN 0.454 nan 8.360 nan 0.000 0.449 133 T N -0.562 114.053 114.554 0.101 0.000 2.788 133 T HA -0.165 4.198 4.350 0.021 0.000 0.268 133 T C 1.918 176.638 174.700 0.033 0.000 1.044 133 T CA 1.042 63.222 62.100 0.135 0.000 1.139 133 T CB -0.585 68.361 68.868 0.130 0.000 0.867 133 T HN 0.100 nan 8.240 nan 0.000 0.454 134 F N 2.096 121.999 119.950 -0.079 0.000 2.084 134 F HA 0.137 4.676 4.527 0.021 0.000 0.296 134 F C 2.009 177.815 175.800 0.011 0.000 1.111 134 F CA 1.051 59.017 58.000 -0.056 0.000 1.224 134 F CB -0.336 38.640 39.000 -0.040 0.000 0.991 134 F HN 0.060 nan 8.300 nan 0.000 0.471 135 L N 0.220 121.531 121.223 0.147 0.000 2.005 135 L HA -0.192 4.161 4.340 0.021 0.000 0.207 135 L C 2.531 179.400 176.870 -0.002 0.000 1.072 135 L CA 1.270 56.147 54.840 0.061 0.000 0.744 135 L CB -0.908 41.256 42.059 0.175 0.000 0.895 135 L HN 0.022 nan 8.230 nan 0.000 0.433 136 K N 0.542 120.971 120.400 0.048 0.000 2.147 136 K HA -0.207 4.126 4.320 0.021 0.000 0.205 136 K C 2.037 178.610 176.600 -0.044 0.000 1.049 136 K CA 1.110 57.460 56.287 0.105 0.000 0.936 136 K CB -0.223 32.429 32.500 0.253 0.000 0.722 136 K HN 0.104 nan 8.250 nan 0.000 0.446 137 K N 0.816 120.962 120.400 -0.424 0.000 2.026 137 K HA -0.139 4.194 4.320 0.021 0.000 0.208 137 K C 1.931 178.227 176.600 -0.507 0.000 1.048 137 K CA 1.427 57.137 56.287 -0.962 0.000 0.929 137 K CB -0.458 31.388 32.500 -1.089 0.000 0.713 137 K HN 0.053 nan 8.250 nan 0.000 0.439 138 Y N 0.454 120.526 120.300 -0.379 0.000 2.373 138 Y HA -0.015 4.547 4.550 0.021 0.000 0.293 138 Y C 2.026 177.790 175.900 -0.228 0.000 1.129 138 Y CA 1.046 58.945 58.100 -0.335 0.000 1.226 138 Y CB -0.116 38.040 38.460 -0.507 0.000 1.000 138 Y HN 0.069 nan 8.280 nan 0.000 0.549 139 L N -1.023 120.187 121.223 -0.023 0.000 2.056 139 L HA -0.245 4.108 4.340 0.021 0.000 0.207 139 L C 2.419 179.289 176.870 -0.000 0.000 1.078 139 L CA 1.459 56.292 54.840 -0.011 0.000 0.749 139 L CB -0.408 41.674 42.059 0.039 0.000 0.901 139 L HN 0.356 nan 8.230 nan 0.000 0.433 140 Y N 0.479 120.727 120.300 -0.086 0.000 2.224 140 Y HA -0.234 4.329 4.550 0.022 0.000 0.289 140 Y C 2.395 178.232 175.900 -0.105 0.000 1.146 140 Y CA 1.629 59.685 58.100 -0.074 0.000 1.182 140 Y CB -0.093 38.383 38.460 0.027 0.000 0.983 140 Y HN 0.194 nan 8.280 nan 0.000 0.524 141 E N 0.558 120.608 120.200 -0.250 0.000 2.047 141 E HA -0.144 4.219 4.350 0.021 0.000 0.191 141 E C 2.262 178.727 176.600 -0.225 0.000 0.987 141 E CA 1.224 57.432 56.400 -0.319 0.000 0.799 141 E CB -0.191 29.417 29.700 -0.154 0.000 0.752 141 E HN 0.510 nan 8.360 nan 0.000 0.449 142 I N 1.161 121.652 120.570 -0.133 0.000 2.252 142 I HA -0.170 4.012 4.170 0.021 0.000 0.245 142 I C 2.447 178.536 176.117 -0.048 0.000 1.102 142 I CA 0.989 62.249 61.300 -0.068 0.000 1.385 142 I CB -1.602 36.304 38.000 -0.157 0.000 1.064 142 I HN -0.072 nan 8.210 nan 0.000 0.414 143 A N 2.079 124.820 122.820 -0.132 0.000 1.902 143 A HA -0.213 4.120 4.320 0.021 0.000 0.217 143 A C 2.390 179.875 177.584 -0.164 0.000 1.181 143 A CA 1.794 53.759 52.037 -0.120 0.000 0.623 143 A CB -0.678 18.256 19.000 -0.111 0.000 0.818 143 A HN 0.550 nan 8.150 nan 0.000 0.443 144 R N -0.713 119.615 120.500 -0.286 0.000 2.280 144 R HA 0.030 4.383 4.340 0.021 0.000 0.207 144 R C 1.394 177.558 176.300 -0.228 0.000 1.043 144 R CA 1.219 57.152 56.100 -0.277 0.000 1.006 144 R CB -0.252 29.807 30.300 -0.402 0.000 0.885 144 R HN 0.460 nan 8.270 nan 0.000 0.467 145 R N -0.245 120.111 120.500 -0.240 0.000 2.334 145 R HA 0.129 4.481 4.340 0.021 0.000 0.212 145 R C -0.284 175.693 176.300 -0.538 0.000 0.897 145 R CA 0.278 56.169 56.100 -0.348 0.000 1.056 145 R CB 0.432 30.507 30.300 -0.375 0.000 1.046 145 R HN 0.380 nan 8.270 nan 0.000 0.513 146 H N -0.116 118.889 119.070 -0.108 0.000 2.490 146 H HA 0.134 4.703 4.556 0.021 0.000 0.230 146 H C -1.978 173.301 175.328 -0.082 0.000 1.417 146 H CA -1.482 54.543 56.048 -0.038 0.000 1.449 146 H CB 1.168 30.927 29.762 -0.005 0.000 1.649 146 H HN -0.039 nan 8.280 nan 0.000 0.519 147 P HA -0.172 nan 4.420 nan 0.000 0.231 147 P C 0.021 177.012 177.300 -0.515 0.000 1.158 147 P CA 1.228 64.069 63.100 -0.433 0.000 0.763 147 P CB 0.228 31.528 31.700 -0.668 0.000 0.805 148 Y N -2.665 117.676 120.300 0.068 0.000 2.453 148 Y HA 0.298 4.861 4.550 0.022 0.000 0.247 148 Y C 0.997 176.981 175.900 0.141 0.000 1.124 148 Y CA -1.061 57.079 58.100 0.067 0.000 1.243 148 Y CB -0.510 37.971 38.460 0.035 0.000 1.213 148 Y HN -0.216 nan 8.280 nan 0.000 0.523 149 F N 1.850 121.898 119.950 0.162 0.000 2.519 149 F HA 0.043 4.583 4.527 0.022 0.000 0.375 149 F C 0.504 176.398 175.800 0.156 0.000 1.084 149 F CA -1.022 57.059 58.000 0.134 0.000 1.147 149 F CB -0.028 38.993 39.000 0.036 0.000 1.088 149 F HN 0.069 nan 8.300 nan 0.000 0.555 150 Y N 6.607 126.927 120.300 0.033 0.000 2.916 150 Y HA -0.021 4.542 4.550 0.022 0.000 0.344 150 Y C 1.096 177.127 175.900 0.220 0.000 1.282 150 Y CA 0.072 58.222 58.100 0.084 0.000 1.604 150 Y CB 0.268 38.726 38.460 -0.003 0.000 1.207 150 Y HN 0.789 nan 8.280 nan 0.000 0.561 151 A N 7.611 130.290 122.820 -0.234 0.000 1.869 151 A HA -0.210 4.123 4.320 0.021 0.000 0.218 151 A C -0.266 177.184 177.584 -0.224 0.000 1.203 151 A CA 2.067 53.983 52.037 -0.202 0.000 0.638 151 A CB -1.906 16.951 19.000 -0.239 0.000 0.831 151 A HN 0.722 nan 8.150 nan 0.000 0.450 152 P HA -0.201 nan 4.420 nan 0.000 0.216 152 P C 1.492 178.813 177.300 0.034 0.000 1.153 152 P CA 1.696 64.653 63.100 -0.238 0.000 0.858 152 P CB -0.076 31.439 31.700 -0.308 0.000 0.789 153 E N -0.723 119.574 120.200 0.162 0.000 2.110 153 E HA -0.200 4.162 4.350 0.021 0.000 0.193 153 E C 1.874 178.901 176.600 0.711 0.000 0.988 153 E CA 0.749 57.420 56.400 0.452 0.000 0.804 153 E CB -0.570 29.461 29.700 0.552 0.000 0.745 153 E HN 0.022 nan 8.360 nan 0.000 0.458 154 L N 0.754 122.320 121.223 0.571 0.000 2.046 154 L HA -0.133 4.220 4.340 0.021 0.000 0.208 154 L C 2.299 179.332 176.870 0.271 0.000 1.077 154 L CA 1.256 56.293 54.840 0.329 0.000 0.747 154 L CB -0.574 41.539 42.059 0.090 0.000 0.896 154 L HN 0.302 nan 8.230 nan 0.000 0.432 155 L N -0.784 120.555 121.223 0.194 0.000 1.989 155 L HA -0.257 4.096 4.340 0.021 0.000 0.211 155 L C 2.374 179.352 176.870 0.180 0.000 1.071 155 L CA 2.257 57.182 54.840 0.142 0.000 0.749 155 L CB -1.248 40.861 42.059 0.083 0.000 0.890 155 L HN 0.407 nan 8.230 nan 0.000 0.431 156 F N -0.578 119.401 119.950 0.050 0.000 2.154 156 F HA -0.296 4.244 4.527 0.021 0.000 0.301 156 F C 1.915 177.691 175.800 -0.039 0.000 1.087 156 F CA 1.684 59.652 58.000 -0.053 0.000 1.274 156 F CB -0.557 38.298 39.000 -0.242 0.000 1.009 156 F HN 0.139 nan 8.300 nan 0.000 0.485 157 F N 0.348 120.255 119.950 -0.073 0.000 2.206 157 F HA -0.026 4.514 4.527 0.021 0.000 0.298 157 F C 2.606 178.420 175.800 0.024 0.000 1.090 157 F CA 1.227 59.156 58.000 -0.118 0.000 1.323 157 F CB -1.203 37.842 39.000 0.076 0.000 1.028 157 F HN 0.077 nan 8.300 nan 0.000 0.492 158 A N 0.436 123.408 122.820 0.254 0.000 1.873 158 A HA -0.270 4.063 4.320 0.021 0.000 0.218 158 A C 2.184 179.882 177.584 0.191 0.000 1.193 158 A CA 2.041 54.221 52.037 0.239 0.000 0.629 158 A CB -0.734 18.355 19.000 0.149 0.000 0.826 158 A HN 0.361 nan 8.150 nan 0.000 0.447 159 K N -0.759 119.675 120.400 0.056 0.000 2.211 159 K HA -0.133 4.200 4.320 0.021 0.000 0.204 159 K C 2.170 178.750 176.600 -0.033 0.000 1.047 159 K CA 1.379 57.680 56.287 0.023 0.000 0.935 159 K CB -0.163 32.325 32.500 -0.020 0.000 0.728 159 K HN 0.444 nan 8.250 nan 0.000 0.452 160 R N -0.535 119.868 120.500 -0.162 0.000 2.093 160 R HA -0.048 4.305 4.340 0.021 0.000 0.224 160 R C 1.928 178.155 176.300 -0.122 0.000 1.101 160 R CA 1.006 56.966 56.100 -0.233 0.000 0.979 160 R CB -0.180 29.847 30.300 -0.455 0.000 0.877 160 R HN 0.185 nan 8.270 nan 0.000 0.441 161 Y N 1.291 121.602 120.300 0.018 0.000 2.200 161 Y HA -0.196 4.367 4.550 0.021 0.000 0.290 161 Y C 2.477 178.550 175.900 0.289 0.000 1.137 161 Y CA 1.483 59.656 58.100 0.122 0.000 1.163 161 Y CB -0.113 38.474 38.460 0.211 0.000 0.988 161 Y HN -0.063 nan 8.280 nan 0.000 0.518 162 K N 0.122 120.792 120.400 0.450 0.000 2.063 162 K HA -0.203 4.129 4.320 0.021 0.000 0.208 162 K C 2.217 179.006 176.600 0.315 0.000 1.048 162 K CA 1.325 57.900 56.287 0.480 0.000 0.928 162 K CB -0.319 32.397 32.500 0.359 0.000 0.713 162 K HN 0.255 nan 8.250 nan 0.000 0.442 163 A N 0.650 123.562 122.820 0.153 0.000 1.969 163 A HA -0.041 4.291 4.320 0.021 0.000 0.218 163 A C 2.219 179.794 177.584 -0.016 0.000 1.169 163 A CA 1.676 53.751 52.037 0.063 0.000 0.635 163 A CB -0.577 18.424 19.000 0.002 0.000 0.810 163 A HN 0.489 nan 8.150 nan 0.000 0.445 164 A N -1.378 121.389 122.820 -0.088 0.000 1.970 164 A HA 0.199 4.531 4.320 0.021 0.000 0.216 164 A C 1.858 179.241 177.584 -0.334 0.000 1.170 164 A CA 1.034 52.929 52.037 -0.235 0.000 0.645 164 A CB -0.550 18.235 19.000 -0.358 0.000 0.816 164 A HN 0.414 nan 8.150 nan 0.000 0.447 165 F N 0.547 120.339 119.950 -0.263 0.000 2.074 165 F HA -0.101 4.439 4.527 0.022 0.000 0.293 165 F C 2.766 178.221 175.800 -0.575 0.000 1.116 165 F CA 1.904 59.548 58.000 -0.592 0.000 1.212 165 F CB -1.153 37.116 39.000 -1.219 0.000 0.998 165 F HN 0.105 nan 8.300 nan 0.000 0.471 166 T N -0.458 113.957 114.554 -0.232 0.000 2.653 166 T HA -0.349 4.014 4.350 0.021 0.000 0.267 166 T C 1.868 176.581 174.700 0.022 0.000 1.037 166 T CA 2.119 64.260 62.100 0.068 0.000 1.159 166 T CB -0.436 68.554 68.868 0.203 0.000 0.859 166 T HN 0.396 nan 8.240 nan 0.000 0.449 167 E N -0.714 119.467 120.200 -0.032 0.000 2.086 167 E HA -0.081 4.281 4.350 0.021 0.000 0.190 167 E C 2.323 178.890 176.600 -0.056 0.000 0.975 167 E CA 0.944 57.325 56.400 -0.033 0.000 0.813 167 E CB -0.076 29.596 29.700 -0.047 0.000 0.768 167 E HN 0.505 nan 8.360 nan 0.000 0.457 168 c N 0.261 118.797 118.600 -0.107 0.000 2.486 168 c HA -0.023 4.560 4.570 0.021 0.000 0.279 168 c C 2.768 176.817 174.090 -0.068 0.000 1.302 168 c CA 0.130 56.397 56.329 -0.103 0.000 1.720 168 c CB -0.813 41.599 42.510 -0.163 0.000 2.030 168 c HN 0.624 nan 8.230 nan 0.000 0.490 169 c N 0.524 119.082 118.600 -0.069 0.000 2.409 169 c HA -0.088 4.495 4.570 0.021 0.000 0.288 169 c C 1.996 176.089 174.090 0.004 0.000 1.395 169 c CA 1.091 57.408 56.329 -0.020 0.000 1.792 169 c CB -1.368 41.138 42.510 -0.007 0.000 1.847 169 c HN 0.628 nan 8.230 nan 0.000 0.534 170 Q N -0.390 119.414 119.800 0.007 0.000 2.186 170 Q HA 0.430 4.783 4.340 0.021 0.000 0.241 170 Q C 0.349 176.349 176.000 0.001 0.000 0.849 170 Q CA 0.066 55.878 55.803 0.015 0.000 1.053 170 Q CB 0.432 29.194 28.738 0.040 0.000 1.146 170 Q HN 0.654 nan 8.270 nan 0.000 0.475 171 A N -0.326 122.487 122.820 -0.012 0.000 2.261 171 A HA 0.787 5.120 4.320 0.021 0.000 0.323 171 A C 1.001 178.576 177.584 -0.015 0.000 1.107 171 A CA 0.246 52.274 52.037 -0.015 0.000 0.883 171 A CB 0.648 19.632 19.000 -0.026 0.000 1.251 171 A HN 0.213 nan 8.150 nan 0.000 0.502 172 A N -0.501 122.311 122.820 -0.014 0.000 1.832 172 A HA 0.029 4.362 4.320 0.021 0.000 0.214 172 A C 0.850 178.426 177.584 -0.015 0.000 1.200 172 A CA 1.747 53.776 52.037 -0.013 0.000 0.610 172 A CB -0.359 18.634 19.000 -0.011 0.000 0.842 172 A HN 0.687 nan 8.150 nan 0.000 0.444 173 D N -0.348 120.042 120.400 -0.017 0.000 2.499 173 D HA 0.283 4.935 4.640 0.021 0.000 0.225 173 D C 0.686 176.971 176.300 -0.025 0.000 1.124 173 D CA -0.121 53.868 54.000 -0.018 0.000 0.938 173 D CB 0.593 41.383 40.800 -0.018 0.000 1.014 173 D HN 0.306 nan 8.370 nan 0.000 0.517 174 K N 1.376 121.762 120.400 -0.023 0.000 1.987 174 K HA -0.222 4.111 4.320 0.021 0.000 0.216 174 K C 1.933 178.510 176.600 -0.039 0.000 1.051 174 K CA 1.584 57.852 56.287 -0.031 0.000 0.942 174 K CB -0.131 32.358 32.500 -0.018 0.000 0.722 174 K HN 0.323 nan 8.250 nan 0.000 0.444 175 A N 1.705 124.509 122.820 -0.026 0.000 1.884 175 A HA -0.256 4.077 4.320 0.021 0.000 0.219 175 A C 2.445 180.007 177.584 -0.038 0.000 1.197 175 A CA 2.523 54.543 52.037 -0.027 0.000 0.637 175 A CB -1.089 17.903 19.000 -0.014 0.000 0.827 175 A HN 0.450 nan 8.150 nan 0.000 0.450 176 A N -1.760 121.041 122.820 -0.032 0.000 2.070 176 A HA -0.133 4.200 4.320 0.021 0.000 0.220 176 A C 2.329 179.886 177.584 -0.045 0.000 1.159 176 A CA 1.783 53.800 52.037 -0.033 0.000 0.656 176 A CB -1.153 17.831 19.000 -0.026 0.000 0.800 176 A HN 0.871 nan 8.150 nan 0.000 0.453 177 c N -1.641 116.926 118.600 -0.055 0.000 2.602 177 c HA 0.173 4.756 4.570 0.021 0.000 0.282 177 c C 2.355 176.383 174.090 -0.104 0.000 1.313 177 c CA 1.013 57.299 56.329 -0.071 0.000 1.699 177 c CB -1.125 41.343 42.510 -0.071 0.000 2.124 177 c HN 0.548 nan 8.230 nan 0.000 0.509 178 L N 1.052 122.201 121.223 -0.123 0.000 1.988 178 L HA 0.051 4.404 4.340 0.021 0.000 0.207 178 L C 2.302 179.077 176.870 -0.157 0.000 1.071 178 L CA 1.957 56.686 54.840 -0.185 0.000 0.744 178 L CB -1.080 40.861 42.059 -0.196 0.000 0.893 178 L HN 0.210 nan 8.230 nan 0.000 0.433 179 L N 0.616 121.780 121.223 -0.097 0.000 2.021 179 L HA -0.171 4.182 4.340 0.021 0.000 0.215 179 L C -0.181 176.650 176.870 -0.066 0.000 1.074 179 L CA 2.391 57.191 54.840 -0.066 0.000 0.760 179 L CB -2.985 39.053 42.059 -0.036 0.000 0.889 179 L HN 0.285 nan 8.230 nan 0.000 0.433 180 P HA -0.188 nan 4.420 nan 0.000 0.216 180 P C 1.537 178.791 177.300 -0.077 0.000 1.153 180 P CA 1.489 64.556 63.100 -0.055 0.000 0.848 180 P CB -0.003 31.671 31.700 -0.045 0.000 0.787 181 K N -0.255 120.075 120.400 -0.116 0.000 2.097 181 K HA -0.040 4.293 4.320 0.021 0.000 0.206 181 K C 2.368 178.854 176.600 -0.190 0.000 1.049 181 K CA 1.011 57.203 56.287 -0.158 0.000 0.933 181 K CB -0.592 31.784 32.500 -0.206 0.000 0.717 181 K HN 0.156 nan 8.250 nan 0.000 0.442 182 L N 1.095 122.215 121.223 -0.170 0.000 2.083 182 L HA -0.214 4.138 4.340 0.021 0.000 0.209 182 L C 1.693 178.540 176.870 -0.038 0.000 1.083 182 L CA 1.063 55.841 54.840 -0.103 0.000 0.752 182 L CB -0.442 41.596 42.059 -0.035 0.000 0.899 182 L HN 0.176 nan 8.230 nan 0.000 0.433 183 D N -0.199 120.178 120.400 -0.039 0.000 2.123 183 D HA -0.203 4.450 4.640 0.021 0.000 0.200 183 D C 2.023 178.314 176.300 -0.016 0.000 0.976 183 D CA 0.985 54.977 54.000 -0.013 0.000 0.831 183 D CB -0.003 40.790 40.800 -0.011 0.000 0.974 183 D HN 0.332 nan 8.370 nan 0.000 0.469 184 E N -0.250 119.925 120.200 -0.040 0.000 2.265 184 E HA -0.150 4.213 4.350 0.021 0.000 0.196 184 E C 1.499 178.095 176.600 -0.007 0.000 0.996 184 E CA 0.481 56.865 56.400 -0.027 0.000 0.832 184 E CB 0.139 29.813 29.700 -0.043 0.000 0.756 184 E HN 0.050 nan 8.360 nan 0.000 0.491 185 L N 0.603 121.790 121.223 -0.060 0.000 2.202 185 L HA 0.049 4.402 4.340 0.021 0.000 0.205 185 L C 2.374 179.293 176.870 0.081 0.000 1.083 185 L CA 1.200 56.020 54.840 -0.033 0.000 0.790 185 L CB -0.868 40.911 42.059 -0.466 0.000 0.942 185 L HN 0.077 nan 8.230 nan 0.000 0.452 186 R N 0.094 120.636 120.500 0.070 0.000 2.088 186 R HA -0.192 4.161 4.340 0.021 0.000 0.232 186 R C 1.845 178.166 176.300 0.036 0.000 1.136 186 R CA 2.151 58.287 56.100 0.061 0.000 0.926 186 R CB -0.256 30.077 30.300 0.054 0.000 0.837 186 R HN 0.242 nan 8.270 nan 0.000 0.429 187 D N 0.208 120.630 120.400 0.037 0.000 2.137 187 D HA -0.239 4.414 4.640 0.021 0.000 0.189 187 D C 1.782 178.127 176.300 0.074 0.000 0.998 187 D CA 1.880 55.900 54.000 0.033 0.000 0.839 187 D CB -0.371 40.432 40.800 0.005 0.000 0.962 187 D HN 0.402 nan 8.370 nan 0.000 0.446 188 E N -0.309 119.966 120.200 0.125 0.000 2.097 188 E HA -0.180 4.182 4.350 0.021 0.000 0.196 188 E C 2.185 178.951 176.600 0.277 0.000 1.000 188 E CA 1.401 57.953 56.400 0.254 0.000 0.804 188 E CB -0.377 29.529 29.700 0.344 0.000 0.740 188 E HN 0.337 nan 8.360 nan 0.000 0.454 189 G N 0.618 109.471 108.800 0.089 0.000 2.432 189 G HA2 -0.259 3.714 3.960 0.021 0.000 0.219 189 G HA3 -0.259 3.714 3.960 0.021 0.000 0.219 189 G C 1.406 176.289 174.900 -0.029 0.000 1.135 189 G CA 0.787 45.728 45.100 -0.266 0.000 0.767 189 G HN 0.185 nan 8.290 nan 0.000 0.550 190 K N 0.477 120.892 120.400 0.025 0.000 2.103 190 K HA 0.170 4.503 4.320 0.021 0.000 0.204 190 K C 2.933 179.603 176.600 0.116 0.000 1.052 190 K CA 0.768 57.094 56.287 0.065 0.000 0.945 190 K CB -0.132 32.399 32.500 0.052 0.000 0.722 190 K HN 0.245 nan 8.250 nan 0.000 0.443 191 A N 1.126 124.032 122.820 0.145 0.000 1.933 191 A HA -0.180 4.153 4.320 0.021 0.000 0.218 191 A C 2.254 179.946 177.584 0.181 0.000 1.175 191 A CA 2.003 54.151 52.037 0.186 0.000 0.628 191 A CB -0.608 18.557 19.000 0.276 0.000 0.814 191 A HN 0.253 nan 8.150 nan 0.000 0.444 192 S N -0.835 114.996 115.700 0.217 0.000 2.368 192 S HA -0.137 4.346 4.470 0.021 0.000 0.224 192 S C 2.357 176.957 174.600 0.000 0.000 1.029 192 S CA 1.827 60.126 58.200 0.164 0.000 0.988 192 S CB -0.452 62.944 63.200 0.327 0.000 0.838 192 S HN 0.642 nan 8.310 nan 0.000 0.462 193 S N 0.888 116.649 115.700 0.103 0.000 2.353 193 S HA -0.059 4.424 4.470 0.021 0.000 0.222 193 S C 2.123 176.747 174.600 0.040 0.000 1.035 193 S CA 1.579 59.820 58.200 0.068 0.000 1.025 193 S CB -0.874 62.476 63.200 0.251 0.000 0.902 193 S HN 0.682 nan 8.310 nan 0.000 0.440 194 A N 1.404 124.267 122.820 0.072 0.000 1.908 194 A HA -0.134 4.199 4.320 0.021 0.000 0.218 194 A C 2.148 179.748 177.584 0.026 0.000 1.181 194 A CA 1.794 53.862 52.037 0.052 0.000 0.627 194 A CB -0.641 18.399 19.000 0.066 0.000 0.818 194 A HN 0.653 nan 8.150 nan 0.000 0.445 195 K N -0.146 120.272 120.400 0.031 0.000 2.026 195 K HA -0.221 4.111 4.320 0.021 0.000 0.208 195 K C 2.358 178.952 176.600 -0.010 0.000 1.048 195 K CA 1.694 57.988 56.287 0.012 0.000 0.929 195 K CB -0.301 32.212 32.500 0.023 0.000 0.713 195 K HN 0.851 nan 8.250 nan 0.000 0.439 196 Q N 0.269 120.050 119.800 -0.032 0.000 2.224 196 Q HA -0.082 4.271 4.340 0.021 0.000 0.203 196 Q C 1.793 177.771 176.000 -0.036 0.000 0.970 196 Q CA 0.815 56.603 55.803 -0.024 0.000 0.865 196 Q CB -0.067 28.623 28.738 -0.080 0.000 0.922 196 Q HN 0.083 nan 8.270 nan 0.000 0.445 197 R N 0.639 121.112 120.500 -0.044 0.000 2.119 197 R HA 0.047 4.400 4.340 0.021 0.000 0.222 197 R C 2.191 178.441 176.300 -0.082 0.000 1.088 197 R CA 0.462 56.520 56.100 -0.070 0.000 0.984 197 R CB -0.783 29.491 30.300 -0.045 0.000 0.884 197 R HN 0.289 nan 8.270 nan 0.000 0.447 198 L N 1.742 122.933 121.223 -0.053 0.000 2.046 198 L HA -0.123 4.229 4.340 0.021 0.000 0.208 198 L C 1.838 178.661 176.870 -0.079 0.000 1.077 198 L CA 1.880 56.687 54.840 -0.055 0.000 0.747 198 L CB -0.300 41.743 42.059 -0.027 0.000 0.896 198 L HN -0.009 nan 8.230 nan 0.000 0.432 199 K N -1.263 119.099 120.400 -0.064 0.000 2.026 199 K HA -0.159 4.174 4.320 0.021 0.000 0.208 199 K C 2.095 178.565 176.600 -0.216 0.000 1.048 199 K CA 1.698 57.949 56.287 -0.060 0.000 0.929 199 K CB -0.687 31.928 32.500 0.191 0.000 0.713 199 K HN 0.411 nan 8.250 nan 0.000 0.439 200 c N 0.734 119.169 118.600 -0.275 0.000 2.419 200 c HA -0.058 4.525 4.570 0.021 0.000 0.281 200 c C 2.845 176.779 174.090 -0.260 0.000 1.336 200 c CA 0.722 56.846 56.329 -0.341 0.000 1.770 200 c CB -0.982 41.358 42.510 -0.284 0.000 1.929 200 c HN 0.520 nan 8.230 nan 0.000 0.509 201 A N 0.231 122.926 122.820 -0.209 0.000 1.898 201 A HA -0.066 4.267 4.320 0.021 0.000 0.214 201 A C 2.266 179.691 177.584 -0.265 0.000 1.183 201 A CA 1.835 53.745 52.037 -0.212 0.000 0.622 201 A CB -0.701 18.194 19.000 -0.176 0.000 0.824 201 A HN 0.503 nan 8.150 nan 0.000 0.444 202 S N -0.193 115.376 115.700 -0.218 0.000 2.368 202 S HA -0.152 4.330 4.470 0.021 0.000 0.225 202 S C 1.794 176.328 174.600 -0.110 0.000 1.030 202 S CA 1.474 59.568 58.200 -0.177 0.000 0.999 202 S CB -0.425 62.843 63.200 0.114 0.000 0.844 202 S HN 0.439 nan 8.310 nan 0.000 0.459 203 L N 1.511 122.637 121.223 -0.161 0.000 2.265 203 L HA -0.094 4.259 4.340 0.021 0.000 0.215 203 L C 2.194 178.961 176.870 -0.171 0.000 1.117 203 L CA 1.580 56.294 54.840 -0.209 0.000 0.782 203 L CB -0.545 41.255 42.059 -0.433 0.000 0.914 203 L HN 0.222 nan 8.230 nan 0.000 0.441 204 Q N -0.545 119.135 119.800 -0.200 0.000 2.013 204 Q HA -0.091 4.262 4.340 0.021 0.000 0.195 204 Q C 2.009 177.902 176.000 -0.179 0.000 0.974 204 Q CA 1.635 57.331 55.803 -0.178 0.000 0.826 204 Q CB -0.033 28.592 28.738 -0.188 0.000 0.895 204 Q HN 0.428 nan 8.270 nan 0.000 0.448 205 K N -0.102 120.119 120.400 -0.299 0.000 1.983 205 K HA -0.112 4.221 4.320 0.021 0.000 0.225 205 K C 1.882 178.375 176.600 -0.178 0.000 1.030 205 K CA 1.547 57.612 56.287 -0.369 0.000 1.027 205 K CB -0.677 31.302 32.500 -0.867 0.000 0.757 205 K HN 0.124 nan 8.250 nan 0.000 0.444 206 F N 0.903 120.852 119.950 -0.003 0.000 2.214 206 F HA -0.125 4.417 4.527 0.025 0.000 0.302 206 F C 1.522 177.341 175.800 0.032 0.000 1.063 206 F CA 1.315 59.328 58.000 0.021 0.000 1.319 206 F CB -1.370 37.652 39.000 0.035 0.000 1.046 206 F HN 0.500 nan 8.300 nan 0.000 0.505 207 G N -0.475 108.422 108.800 0.161 0.000 2.662 207 G HA2 -0.227 3.746 3.960 0.021 0.000 0.686 207 G HA3 -0.227 3.746 3.960 0.021 0.000 0.686 207 G C 0.432 175.413 174.900 0.135 0.000 1.271 207 G CA -0.090 45.074 45.100 0.107 0.000 0.816 207 G HN 0.277 nan 8.290 nan 0.000 0.608 208 E N -0.273 119.979 120.200 0.087 0.000 2.204 208 E HA -0.152 4.210 4.350 0.021 0.000 0.195 208 E C 2.387 179.108 176.600 0.201 0.000 0.990 208 E CA 1.358 57.827 56.400 0.115 0.000 0.821 208 E CB 0.000 29.730 29.700 0.050 0.000 0.750 208 E HN 0.538 nan 8.360 nan 0.000 0.477 209 R N 0.172 120.769 120.500 0.161 0.000 2.055 209 R HA -0.079 4.273 4.340 0.021 0.000 0.228 209 R C 2.317 178.727 176.300 0.184 0.000 1.143 209 R CA 1.353 57.547 56.100 0.157 0.000 0.945 209 R CB -0.407 29.964 30.300 0.119 0.000 0.841 209 R HN 0.146 nan 8.270 nan 0.000 0.429 210 A N 0.589 123.521 122.820 0.187 0.000 1.948 210 A HA -0.226 4.106 4.320 0.021 0.000 0.220 210 A C 2.027 179.752 177.584 0.235 0.000 1.177 210 A CA 1.551 53.695 52.037 0.178 0.000 0.636 210 A CB -0.895 18.209 19.000 0.174 0.000 0.815 210 A HN 0.578 nan 8.150 nan 0.000 0.449 211 F N 0.604 120.640 119.950 0.143 0.000 2.075 211 F HA -0.151 4.389 4.527 0.022 0.000 0.297 211 F C 2.188 178.117 175.800 0.216 0.000 1.113 211 F CA 2.200 60.295 58.000 0.158 0.000 1.218 211 F CB -0.262 38.796 39.000 0.096 0.000 0.984 211 F HN 0.131 nan 8.300 nan 0.000 0.472 212 K N 0.138 120.674 120.400 0.227 0.000 2.063 212 K HA -0.191 4.142 4.320 0.021 0.000 0.208 212 K C 2.311 178.944 176.600 0.054 0.000 1.048 212 K CA 1.309 57.667 56.287 0.117 0.000 0.928 212 K CB -0.644 31.953 32.500 0.161 0.000 0.713 212 K HN 0.370 nan 8.250 nan 0.000 0.442 213 A N 0.782 123.658 122.820 0.093 0.000 1.883 213 A HA -0.225 4.108 4.320 0.021 0.000 0.217 213 A C 1.945 179.538 177.584 0.015 0.000 1.186 213 A CA 1.583 53.660 52.037 0.066 0.000 0.624 213 A CB -1.050 17.997 19.000 0.078 0.000 0.822 213 A HN 0.600 nan 8.150 nan 0.000 0.444 214 W N 0.388 121.594 121.300 -0.156 0.000 2.335 214 W HA -0.180 4.492 4.660 0.021 0.000 0.311 214 W C 2.560 178.924 176.519 -0.259 0.000 1.213 214 W CA 2.580 59.797 57.345 -0.213 0.000 1.274 214 W CB -0.161 29.143 29.460 -0.259 0.000 1.148 214 W HN 0.380 nan 8.180 nan 0.000 0.498 215 A N -0.588 122.202 122.820 -0.050 0.000 1.902 215 A HA -0.173 4.160 4.320 0.021 0.000 0.217 215 A C 1.986 179.477 177.584 -0.154 0.000 1.181 215 A CA 2.161 54.129 52.037 -0.115 0.000 0.623 215 A CB -1.233 17.686 19.000 -0.135 0.000 0.818 215 A HN 0.165 nan 8.150 nan 0.000 0.443 216 V N -0.026 119.829 119.914 -0.099 0.000 2.255 216 V HA -0.292 3.841 4.120 0.021 0.000 0.247 216 V C 3.091 179.124 176.094 -0.102 0.000 1.051 216 V CA 2.087 64.356 62.300 -0.051 0.000 1.018 216 V CB -1.337 30.507 31.823 0.035 0.000 0.641 216 V HN 0.630 nan 8.190 nan 0.000 0.445 217 A N 0.031 122.732 122.820 -0.199 0.000 1.892 217 A HA -0.311 4.022 4.320 0.021 0.000 0.218 217 A C 2.304 179.674 177.584 -0.357 0.000 1.188 217 A CA 2.500 54.370 52.037 -0.279 0.000 0.631 217 A CB -0.591 18.179 19.000 -0.385 0.000 0.822 217 A HN 0.452 nan 8.150 nan 0.000 0.447 218 R N -0.096 120.087 120.500 -0.529 0.000 2.073 218 R HA 0.021 4.374 4.340 0.021 0.000 0.234 218 R C 1.978 178.059 176.300 -0.364 0.000 1.134 218 R CA 1.642 57.417 56.100 -0.541 0.000 0.952 218 R CB -0.817 29.016 30.300 -0.778 0.000 0.850 218 R HN 0.538 nan 8.270 nan 0.000 0.433 219 L N -0.191 120.874 121.223 -0.264 0.000 2.141 219 L HA -0.107 4.246 4.340 0.021 0.000 0.209 219 L C 2.156 178.927 176.870 -0.165 0.000 1.094 219 L CA 1.315 56.019 54.840 -0.227 0.000 0.763 219 L CB -0.334 41.714 42.059 -0.020 0.000 0.908 219 L HN 0.192 nan 8.230 nan 0.000 0.437 220 S N -0.583 115.078 115.700 -0.064 0.000 2.387 220 S HA -0.164 4.319 4.470 0.021 0.000 0.226 220 S C 1.909 176.450 174.600 -0.098 0.000 1.026 220 S CA 0.971 59.194 58.200 0.038 0.000 0.972 220 S CB -0.088 63.185 63.200 0.123 0.000 0.814 220 S HN 0.478 nan 8.310 nan 0.000 0.477 221 Q N 0.535 120.220 119.800 -0.190 0.000 2.167 221 Q HA 0.011 4.364 4.340 0.021 0.000 0.202 221 Q C 2.304 178.163 176.000 -0.235 0.000 0.970 221 Q CA 0.907 56.586 55.803 -0.207 0.000 0.855 221 Q CB -0.096 28.507 28.738 -0.225 0.000 0.911 221 Q HN 0.393 nan 8.270 nan 0.000 0.438 222 R N -0.420 119.856 120.500 -0.374 0.000 2.100 222 R HA 0.010 4.363 4.340 0.021 0.000 0.220 222 R C 0.072 176.123 176.300 -0.415 0.000 1.091 222 R CA 0.653 56.422 56.100 -0.553 0.000 0.986 222 R CB 0.447 30.134 30.300 -1.021 0.000 0.888 222 R HN 0.111 nan 8.270 nan 0.000 0.444 223 F N 0.754 120.688 119.950 -0.028 0.000 2.627 223 F HA 0.321 4.862 4.527 0.023 0.000 0.329 223 F C -1.695 174.118 175.800 0.022 0.000 1.378 223 F CA -3.076 54.920 58.000 -0.006 0.000 1.134 223 F CB 0.997 40.001 39.000 0.006 0.000 1.229 223 F HN -0.100 nan 8.300 nan 0.000 0.537 224 P HA -0.229 nan 4.420 nan 0.000 0.217 224 P C 0.993 178.344 177.300 0.086 0.000 1.148 224 P CA 1.623 64.750 63.100 0.044 0.000 0.828 224 P CB 0.358 32.029 31.700 -0.048 0.000 0.783 225 K N -0.476 119.984 120.400 0.099 0.000 2.366 225 K HA 0.145 4.478 4.320 0.021 0.000 0.198 225 K C 1.394 178.064 176.600 0.117 0.000 1.044 225 K CA 0.137 56.474 56.287 0.083 0.000 0.973 225 K CB -0.165 32.365 32.500 0.049 0.000 0.767 225 K HN 0.123 nan 8.250 nan 0.000 0.475 226 A N 2.000 124.913 122.820 0.155 0.000 2.346 226 A HA 0.055 4.388 4.320 0.021 0.000 0.252 226 A C -0.166 177.526 177.584 0.180 0.000 1.089 226 A CA -0.216 51.897 52.037 0.127 0.000 0.797 226 A CB 0.239 19.297 19.000 0.097 0.000 1.047 226 A HN 0.150 nan 8.150 nan 0.000 0.494 227 E N -0.204 120.050 120.200 0.090 0.000 2.343 227 E HA 0.186 4.549 4.350 0.021 0.000 0.269 227 E C 0.227 176.760 176.600 -0.112 0.000 1.047 227 E CA -0.334 56.110 56.400 0.073 0.000 0.874 227 E CB 0.611 30.343 29.700 0.053 0.000 1.033 227 E HN 0.611 nan 8.360 nan 0.000 0.409 228 F N 2.916 122.596 119.950 -0.449 0.000 2.115 228 F HA -0.307 4.232 4.527 0.021 0.000 0.300 228 F C 1.986 177.593 175.800 -0.321 0.000 1.092 228 F CA 2.170 59.700 58.000 -0.783 0.000 1.245 228 F CB -0.315 38.318 39.000 -0.612 0.000 0.995 228 F HN 0.598 nan 8.300 nan 0.000 0.481 229 A N -0.205 122.510 122.820 -0.175 0.000 1.883 229 A HA -0.274 4.059 4.320 0.021 0.000 0.217 229 A C 2.101 179.563 177.584 -0.204 0.000 1.186 229 A CA 2.005 53.939 52.037 -0.173 0.000 0.624 229 A CB -1.086 17.906 19.000 -0.014 0.000 0.822 229 A HN 0.502 nan 8.150 nan 0.000 0.444 230 E N -0.172 119.951 120.200 -0.129 0.000 2.031 230 E HA -0.125 4.238 4.350 0.021 0.000 0.193 230 E C 1.884 178.423 176.600 -0.101 0.000 0.994 230 E CA 1.621 57.980 56.400 -0.068 0.000 0.800 230 E CB -0.515 29.169 29.700 -0.026 0.000 0.752 230 E HN 0.226 nan 8.360 nan 0.000 0.447 231 V N 0.273 120.088 119.914 -0.165 0.000 2.231 231 V HA -0.311 3.822 4.120 0.021 0.000 0.248 231 V C 2.469 178.428 176.094 -0.226 0.000 1.054 231 V CA 2.118 64.336 62.300 -0.137 0.000 1.015 231 V CB -1.052 30.654 31.823 -0.194 0.000 0.638 231 V HN 0.382 nan 8.190 nan 0.000 0.444 232 S N -1.046 114.369 115.700 -0.476 0.000 2.392 232 S HA -0.312 4.171 4.470 0.021 0.000 0.232 232 S C 2.182 176.651 174.600 -0.218 0.000 1.041 232 S CA 2.058 59.986 58.200 -0.452 0.000 1.026 232 S CB -0.329 62.442 63.200 -0.715 0.000 0.845 232 S HN 0.475 nan 8.310 nan 0.000 0.465 233 K N 0.817 121.115 120.400 -0.171 0.000 2.057 233 K HA 0.037 4.369 4.320 0.021 0.000 0.206 233 K C 2.106 178.647 176.600 -0.097 0.000 1.050 233 K CA 1.220 57.435 56.287 -0.121 0.000 0.935 233 K CB -0.584 31.857 32.500 -0.099 0.000 0.715 233 K HN 0.463 nan 8.250 nan 0.000 0.439 234 L N 0.486 121.684 121.223 -0.040 0.000 2.131 234 L HA -0.141 4.211 4.340 0.021 0.000 0.210 234 L C 2.446 179.333 176.870 0.029 0.000 1.092 234 L CA 0.554 55.409 54.840 0.025 0.000 0.759 234 L CB -0.350 41.775 42.059 0.110 0.000 0.903 234 L HN -0.087 nan 8.230 nan 0.000 0.435 235 V N -0.465 119.448 119.914 -0.001 0.000 2.453 235 V HA -0.220 3.913 4.120 0.021 0.000 0.247 235 V C 2.528 178.658 176.094 0.060 0.000 1.048 235 V CA 2.162 64.478 62.300 0.027 0.000 1.049 235 V CB -0.309 31.506 31.823 -0.013 0.000 0.672 235 V HN 0.484 nan 8.190 nan 0.000 0.457 236 T N -0.359 114.203 114.554 0.013 0.000 2.737 236 T HA -0.177 4.185 4.350 0.021 0.000 0.265 236 T C 1.622 176.340 174.700 0.030 0.000 1.038 236 T CA 1.650 63.764 62.100 0.024 0.000 1.144 236 T CB -0.340 68.517 68.868 -0.019 0.000 0.866 236 T HN 0.467 nan 8.240 nan 0.000 0.434 237 D N 1.235 121.631 120.400 -0.006 0.000 2.097 237 D HA -0.027 4.626 4.640 0.021 0.000 0.195 237 D C 2.134 178.466 176.300 0.052 0.000 0.989 237 D CA 0.519 54.513 54.000 -0.009 0.000 0.827 237 D CB -0.534 40.226 40.800 -0.067 0.000 0.966 237 D HN 0.190 nan 8.370 nan 0.000 0.456 238 L N 0.976 122.253 121.223 0.090 0.000 2.079 238 L HA -0.187 4.165 4.340 0.021 0.000 0.210 238 L C 2.117 179.137 176.870 0.249 0.000 1.081 238 L CA 1.350 56.280 54.840 0.150 0.000 0.752 238 L CB -0.427 41.728 42.059 0.160 0.000 0.896 238 L HN 0.074 nan 8.230 nan 0.000 0.433 239 T N -0.569 114.150 114.554 0.275 0.000 2.737 239 T HA -0.232 4.131 4.350 0.021 0.000 0.265 239 T C 1.833 176.584 174.700 0.085 0.000 1.038 239 T CA 1.715 63.999 62.100 0.306 0.000 1.144 239 T CB -0.010 69.028 68.868 0.283 0.000 0.866 239 T HN 0.323 nan 8.240 nan 0.000 0.434 240 K N 0.875 121.311 120.400 0.061 0.000 2.002 240 K HA -0.093 4.240 4.320 0.021 0.000 0.209 240 K C 2.224 178.839 176.600 0.024 0.000 1.048 240 K CA 1.221 57.517 56.287 0.015 0.000 0.930 240 K CB -0.511 31.995 32.500 0.009 0.000 0.714 240 K HN 0.091 nan 8.250 nan 0.000 0.438 241 V N 1.255 121.200 119.914 0.051 0.000 2.277 241 V HA -0.334 3.799 4.120 0.021 0.000 0.253 241 V C 2.321 178.465 176.094 0.083 0.000 1.067 241 V CA 2.425 64.757 62.300 0.053 0.000 1.047 241 V CB -0.707 31.143 31.823 0.045 0.000 0.649 241 V HN 0.521 nan 8.190 nan 0.000 0.447 242 H N -1.389 117.645 119.070 -0.060 0.000 2.529 242 H HA -0.072 4.496 4.556 0.021 0.000 0.277 242 H C 2.295 177.505 175.328 -0.197 0.000 0.999 242 H CA 1.023 56.989 56.048 -0.137 0.000 1.256 242 H CB 0.416 30.076 29.762 -0.170 0.000 1.402 242 H HN 0.451 nan 8.280 nan 0.000 0.566 243 T N -0.070 114.414 114.554 -0.116 0.000 2.770 243 T HA -0.100 4.263 4.350 0.021 0.000 0.258 243 T C 1.796 176.442 174.700 -0.090 0.000 1.039 243 T CA 0.590 62.586 62.100 -0.173 0.000 1.143 243 T CB 0.059 68.841 68.868 -0.143 0.000 0.866 243 T HN 0.321 nan 8.240 nan 0.000 0.428 244 E N 0.610 120.793 120.200 -0.029 0.000 2.038 244 E HA -0.131 4.232 4.350 0.021 0.000 0.195 244 E C 2.549 179.192 176.600 0.072 0.000 1.000 244 E CA 0.910 57.329 56.400 0.031 0.000 0.803 244 E CB -0.479 29.247 29.700 0.043 0.000 0.750 244 E HN 0.424 nan 8.360 nan 0.000 0.448 245 c N 0.187 118.818 118.600 0.052 0.000 2.413 245 c HA -0.176 4.407 4.570 0.021 0.000 0.276 245 c C 2.861 176.969 174.090 0.029 0.000 1.248 245 c CA 0.539 56.901 56.329 0.056 0.000 1.742 245 c CB -1.002 41.545 42.510 0.061 0.000 2.017 245 c HN 0.512 nan 8.230 nan 0.000 0.481 246 c N -0.708 117.859 118.600 -0.054 0.000 2.485 246 c HA -0.080 4.503 4.570 0.021 0.000 0.283 246 c C 2.355 176.434 174.090 -0.019 0.000 1.478 246 c CA 0.600 56.855 56.329 -0.124 0.000 1.741 246 c CB -2.422 39.910 42.510 -0.297 0.000 1.675 246 c HN 0.715 nan 8.230 nan 0.000 0.573 247 H N -0.075 118.953 119.070 -0.069 0.000 2.482 247 H HA 0.116 4.685 4.556 0.021 0.000 0.286 247 H C 1.965 177.302 175.328 0.015 0.000 1.017 247 H CA 0.995 57.020 56.048 -0.037 0.000 1.322 247 H CB 0.157 29.909 29.762 -0.017 0.000 1.426 247 H HN 0.478 nan 8.280 nan 0.000 0.546 248 G N 1.083 109.908 108.800 0.043 0.000 2.184 248 G HA2 -0.218 3.755 3.960 0.021 0.000 0.206 248 G HA3 -0.218 3.755 3.960 0.021 0.000 0.206 248 G C -0.172 174.772 174.900 0.073 0.000 0.995 248 G CA 0.190 45.322 45.100 0.053 0.000 0.651 248 G HN 0.518 nan 8.290 nan 0.000 0.511 249 D N 1.159 121.604 120.400 0.075 0.000 2.365 249 D HA 0.319 4.972 4.640 0.021 0.000 0.237 249 D C 1.776 178.155 176.300 0.132 0.000 1.190 249 D CA -0.415 53.658 54.000 0.122 0.000 0.867 249 D CB 1.061 41.962 40.800 0.168 0.000 1.050 249 D HN 0.146 nan 8.370 nan 0.000 0.491 250 L N 5.618 126.895 121.223 0.091 0.000 2.013 250 L HA -0.220 4.133 4.340 0.021 0.000 0.212 250 L C 1.832 178.741 176.870 0.064 0.000 1.073 250 L CA 1.785 56.676 54.840 0.085 0.000 0.753 250 L CB -0.484 41.554 42.059 -0.035 0.000 0.890 250 L HN 0.559 nan 8.230 nan 0.000 0.432 251 L N -0.880 120.325 121.223 -0.030 0.000 2.027 251 L HA -0.137 4.215 4.340 0.021 0.000 0.206 251 L C 2.743 179.673 176.870 0.099 0.000 1.074 251 L CA 1.183 56.002 54.840 -0.035 0.000 0.745 251 L CB -0.781 41.121 42.059 -0.262 0.000 0.898 251 L HN 0.302 nan 8.230 nan 0.000 0.433 252 E N -0.380 119.927 120.200 0.177 0.000 2.038 252 E HA -0.290 4.072 4.350 0.021 0.000 0.195 252 E C 2.260 178.939 176.600 0.131 0.000 1.000 252 E CA 1.651 58.151 56.400 0.166 0.000 0.803 252 E CB -0.865 28.938 29.700 0.171 0.000 0.750 252 E HN 0.524 nan 8.360 nan 0.000 0.448 253 c N 1.061 119.744 118.600 0.139 0.000 2.401 253 c HA -0.127 4.456 4.570 0.021 0.000 0.276 253 c C 2.893 177.066 174.090 0.138 0.000 1.233 253 c CA 1.387 57.788 56.329 0.120 0.000 1.753 253 c CB -1.033 41.561 42.510 0.140 0.000 2.029 253 c HN 0.476 nan 8.230 nan 0.000 0.478 254 A N 0.292 123.234 122.820 0.204 0.000 1.873 254 A HA -0.139 4.194 4.320 0.021 0.000 0.215 254 A C 1.964 179.635 177.584 0.145 0.000 1.186 254 A CA 2.061 54.229 52.037 0.219 0.000 0.616 254 A CB -0.784 18.318 19.000 0.171 0.000 0.823 254 A HN 0.666 nan 8.150 nan 0.000 0.442 255 D N 0.390 120.862 120.400 0.119 0.000 2.123 255 D HA -0.152 4.501 4.640 0.021 0.000 0.196 255 D C 1.319 177.672 176.300 0.088 0.000 0.992 255 D CA 1.575 55.637 54.000 0.103 0.000 0.833 255 D CB -0.459 40.399 40.800 0.097 0.000 0.954 255 D HN 0.384 nan 8.370 nan 0.000 0.455 256 D N 0.626 121.073 120.400 0.080 0.000 2.104 256 D HA -0.116 4.537 4.640 0.021 0.000 0.194 256 D C 2.193 178.528 176.300 0.059 0.000 0.994 256 D CA 0.744 54.780 54.000 0.060 0.000 0.830 256 D CB -0.240 40.590 40.800 0.050 0.000 0.959 256 D HN 0.209 nan 8.370 nan 0.000 0.452 257 R N 0.463 120.999 120.500 0.060 0.000 2.092 257 R HA 0.015 4.368 4.340 0.021 0.000 0.231 257 R C 2.240 178.588 176.300 0.081 0.000 1.119 257 R CA 1.099 57.232 56.100 0.055 0.000 0.970 257 R CB -0.174 30.154 30.300 0.046 0.000 0.864 257 R HN 0.112 nan 8.270 nan 0.000 0.440 258 A N 1.417 124.294 122.820 0.096 0.000 1.873 258 A HA -0.163 4.170 4.320 0.021 0.000 0.215 258 A C 1.565 179.205 177.584 0.093 0.000 1.186 258 A CA 1.535 53.631 52.037 0.099 0.000 0.616 258 A CB -0.317 18.748 19.000 0.109 0.000 0.823 258 A HN 0.133 nan 8.150 nan 0.000 0.442 259 D N -0.291 120.162 120.400 0.087 0.000 2.123 259 D HA -0.149 4.503 4.640 0.021 0.000 0.196 259 D C 1.852 178.217 176.300 0.109 0.000 0.992 259 D CA 1.385 55.437 54.000 0.087 0.000 0.833 259 D CB -0.416 40.423 40.800 0.066 0.000 0.954 259 D HN 0.324 nan 8.370 nan 0.000 0.455 260 L N 1.068 122.349 121.223 0.098 0.000 2.017 260 L HA -0.069 4.284 4.340 0.021 0.000 0.208 260 L C 2.167 179.127 176.870 0.151 0.000 1.073 260 L CA 1.845 56.760 54.840 0.125 0.000 0.745 260 L CB -0.900 41.212 42.059 0.088 0.000 0.894 260 L HN -0.027 nan 8.230 nan 0.000 0.432 261 A N 0.065 122.947 122.820 0.104 0.000 1.972 261 A HA -0.256 4.077 4.320 0.021 0.000 0.219 261 A C 2.289 179.910 177.584 0.062 0.000 1.169 261 A CA 1.987 54.071 52.037 0.078 0.000 0.635 261 A CB -0.641 18.401 19.000 0.069 0.000 0.810 261 A HN 0.683 nan 8.150 nan 0.000 0.446 262 K N -1.772 118.677 120.400 0.081 0.000 2.103 262 K HA -0.166 4.167 4.320 0.021 0.000 0.204 262 K C 2.011 178.639 176.600 0.047 0.000 1.052 262 K CA 1.534 57.857 56.287 0.060 0.000 0.945 262 K CB -0.618 31.927 32.500 0.076 0.000 0.722 262 K HN 0.404 nan 8.250 nan 0.000 0.443 263 Y N 2.027 122.326 120.300 -0.002 0.000 2.224 263 Y HA -0.096 4.467 4.550 0.021 0.000 0.289 263 Y C 1.786 177.664 175.900 -0.037 0.000 1.146 263 Y CA 1.369 59.460 58.100 -0.015 0.000 1.182 263 Y CB -0.064 38.388 38.460 -0.012 0.000 0.983 263 Y HN -0.012 nan 8.280 nan 0.000 0.524 264 I N -0.988 119.485 120.570 -0.162 0.000 2.315 264 I HA -0.331 3.852 4.170 0.021 0.000 0.248 264 I C 2.222 178.178 176.117 -0.269 0.000 1.117 264 I CA 1.133 62.275 61.300 -0.263 0.000 1.404 264 I CB -0.577 37.375 38.000 -0.080 0.000 1.071 264 I HN 0.321 nan 8.210 nan 0.000 0.419 265 c N 0.488 118.990 118.600 -0.164 0.000 2.468 265 c HA -0.042 4.540 4.570 0.021 0.000 0.277 265 c C 2.284 176.286 174.090 -0.147 0.000 1.400 265 c CA 0.400 56.653 56.329 -0.127 0.000 1.770 265 c CB -1.057 41.417 42.510 -0.060 0.000 1.905 265 c HN 0.462 nan 8.230 nan 0.000 0.519 266 E N 0.621 120.706 120.200 -0.191 0.000 2.489 266 E HA 0.029 4.392 4.350 0.021 0.000 0.193 266 E C 0.601 177.058 176.600 -0.239 0.000 1.057 266 E CA 0.280 56.577 56.400 -0.171 0.000 0.866 266 E CB 0.045 29.669 29.700 -0.126 0.000 0.916 266 E HN 0.622 nan 8.360 nan 0.000 0.500 267 N N 0.398 118.892 118.700 -0.344 0.000 2.240 267 N HA 0.004 4.757 4.740 0.021 0.000 0.240 267 N C 0.832 176.180 175.510 -0.270 0.000 1.277 267 N CA 0.031 52.876 53.050 -0.341 0.000 0.873 267 N CB 0.812 38.960 38.487 -0.565 0.000 1.222 267 N HN 0.094 nan 8.380 nan 0.000 0.507 268 Q N 1.277 120.942 119.800 -0.225 0.000 2.045 268 Q HA -0.204 4.149 4.340 0.021 0.000 0.215 268 Q C 0.093 175.997 176.000 -0.160 0.000 1.026 268 Q CA 1.954 57.644 55.803 -0.187 0.000 0.885 268 Q CB 0.038 28.698 28.738 -0.130 0.000 0.984 268 Q HN 0.196 nan 8.270 nan 0.000 0.414 269 D N -0.677 119.652 120.400 -0.119 0.000 2.370 269 D HA -0.037 4.616 4.640 0.021 0.000 0.256 269 D C 0.541 176.791 176.300 -0.083 0.000 1.197 269 D CA 0.607 54.555 54.000 -0.086 0.000 0.922 269 D CB 0.129 40.891 40.800 -0.063 0.000 0.911 269 D HN 0.120 nan 8.370 nan 0.000 0.517 270 S N -1.199 114.432 115.700 -0.115 0.000 2.817 270 S HA 0.213 4.696 4.470 0.021 0.000 0.262 270 S C 1.134 175.661 174.600 -0.122 0.000 1.051 270 S CA -0.370 57.773 58.200 -0.094 0.000 1.185 270 S CB 0.455 63.599 63.200 -0.093 0.000 1.152 270 S HN 0.121 nan 8.310 nan 0.000 0.653 271 I N -0.116 120.335 120.570 -0.198 0.000 3.739 271 I HA 0.387 4.570 4.170 0.021 0.000 0.272 271 I C 0.506 176.444 176.117 -0.297 0.000 1.167 271 I CA 0.101 61.202 61.300 -0.332 0.000 1.386 271 I CB 1.110 38.761 38.000 -0.581 0.000 1.490 271 I HN 0.277 nan 8.210 nan 0.000 0.452 272 S N -0.279 115.280 115.700 -0.234 0.000 2.578 272 S HA 0.251 4.734 4.470 0.021 0.000 0.272 272 S C -0.232 174.334 174.600 -0.057 0.000 1.145 272 S CA -0.068 58.084 58.200 -0.079 0.000 0.835 272 S CB 1.443 64.650 63.200 0.012 0.000 1.104 272 S HN 0.177 nan 8.310 nan 0.000 0.458 273 S N 1.622 117.316 115.700 -0.010 0.000 2.574 273 S HA 0.390 4.873 4.470 0.021 0.000 0.242 273 S C 0.309 174.907 174.600 -0.004 0.000 0.982 273 S CA -0.513 57.677 58.200 -0.016 0.000 0.977 273 S CB -0.019 63.173 63.200 -0.012 0.000 0.814 273 S HN 0.518 nan 8.310 nan 0.000 0.464 274 K N 0.980 121.388 120.400 0.014 0.000 2.438 274 K HA 0.411 4.744 4.320 0.021 0.000 0.205 274 K C 0.405 177.017 176.600 0.019 0.000 1.033 274 K CA 0.043 56.345 56.287 0.024 0.000 1.089 274 K CB 0.286 32.818 32.500 0.053 0.000 0.857 274 K HN 0.414 nan 8.250 nan 0.000 0.522 275 L N 0.676 121.896 121.223 -0.005 0.000 2.667 275 L HA 0.113 4.465 4.340 0.021 0.000 0.232 275 L C 1.942 178.799 176.870 -0.022 0.000 1.138 275 L CA -0.067 54.763 54.840 -0.016 0.000 0.921 275 L CB 0.009 42.033 42.059 -0.057 0.000 1.180 275 L HN -0.070 nan 8.230 nan 0.000 0.487 276 K N 1.804 122.194 120.400 -0.018 0.000 1.988 276 K HA -0.289 4.043 4.320 0.021 0.000 0.221 276 K C 1.859 178.454 176.600 -0.009 0.000 1.053 276 K CA 2.457 58.734 56.287 -0.015 0.000 0.959 276 K CB -0.257 32.236 32.500 -0.012 0.000 0.728 276 K HN 0.252 nan 8.250 nan 0.000 0.447 277 E N 0.208 120.406 120.200 -0.004 0.000 2.007 277 E HA -0.219 4.144 4.350 0.021 0.000 0.203 277 E C 2.030 178.632 176.600 0.004 0.000 1.020 277 E CA 2.525 58.926 56.400 0.002 0.000 0.845 277 E CB -0.975 28.727 29.700 0.003 0.000 0.779 277 E HN 0.446 nan 8.360 nan 0.000 0.466 278 c N 0.179 118.780 118.600 0.002 0.000 2.369 278 c HA -0.282 4.301 4.570 0.021 0.000 0.273 278 c C 2.931 177.026 174.090 0.007 0.000 1.172 278 c CA 1.118 57.449 56.329 0.004 0.000 1.791 278 c CB -1.338 41.171 42.510 -0.001 0.000 2.086 278 c HN 0.676 nan 8.230 nan 0.000 0.459 279 c N 0.392 118.991 118.600 -0.002 0.000 2.437 279 c HA -0.053 4.530 4.570 0.021 0.000 0.283 279 c C 2.231 176.322 174.090 0.002 0.000 1.424 279 c CA 0.747 57.073 56.329 -0.005 0.000 1.782 279 c CB -1.583 40.912 42.510 -0.024 0.000 1.833 279 c HN 0.653 nan 8.230 nan 0.000 0.532 280 E N 0.455 120.658 120.200 0.005 0.000 2.442 280 E HA 0.007 4.370 4.350 0.021 0.000 0.195 280 E C 0.623 177.234 176.600 0.018 0.000 1.030 280 E CA 0.323 56.728 56.400 0.009 0.000 0.869 280 E CB 0.215 29.920 29.700 0.008 0.000 0.857 280 E HN 0.646 nan 8.360 nan 0.000 0.505 281 K N 2.165 122.579 120.400 0.023 0.000 2.138 281 K HA 0.181 4.514 4.320 0.021 0.000 0.251 281 K C -2.247 174.374 176.600 0.036 0.000 1.015 281 K CA -1.555 54.752 56.287 0.033 0.000 0.917 281 K CB 0.173 32.698 32.500 0.042 0.000 1.021 281 K HN -0.061 nan 8.250 nan 0.000 0.485 282 P HA 0.049 nan 4.420 nan 0.000 0.282 282 P C 0.499 177.829 177.300 0.050 0.000 1.249 282 P CA -0.401 62.722 63.100 0.038 0.000 0.806 282 P CB 0.718 32.437 31.700 0.032 0.000 0.984 283 L N 2.924 124.177 121.223 0.051 0.000 2.179 283 L HA -0.330 4.022 4.340 0.021 0.000 0.246 283 L C 2.572 179.487 176.870 0.076 0.000 1.120 283 L CA 2.075 56.954 54.840 0.066 0.000 0.846 283 L CB -2.519 39.580 42.059 0.066 0.000 0.958 283 L HN 0.335 nan 8.230 nan 0.000 0.444 284 L N -0.816 120.448 121.223 0.068 0.000 2.054 284 L HA -0.349 4.004 4.340 0.021 0.000 0.240 284 L C 2.600 179.524 176.870 0.090 0.000 1.107 284 L CA 2.521 57.403 54.840 0.071 0.000 0.833 284 L CB -0.780 41.312 42.059 0.055 0.000 0.929 284 L HN 0.494 nan 8.230 nan 0.000 0.447 285 E N -1.322 118.932 120.200 0.091 0.000 2.274 285 E HA -0.216 4.147 4.350 0.021 0.000 0.194 285 E C 2.044 178.713 176.600 0.116 0.000 0.996 285 E CA 0.756 57.227 56.400 0.118 0.000 0.840 285 E CB -0.110 29.661 29.700 0.118 0.000 0.772 285 E HN 0.477 nan 8.360 nan 0.000 0.491 286 K N 1.289 121.740 120.400 0.086 0.000 1.988 286 K HA -0.268 4.065 4.320 0.021 0.000 0.221 286 K C 2.420 179.057 176.600 0.062 0.000 1.053 286 K CA 2.343 58.669 56.287 0.065 0.000 0.959 286 K CB -0.257 32.278 32.500 0.058 0.000 0.728 286 K HN 0.142 nan 8.250 nan 0.000 0.447 287 S N -0.253 115.497 115.700 0.082 0.000 2.370 287 S HA -0.273 4.210 4.470 0.021 0.000 0.226 287 S C 2.081 176.715 174.600 0.058 0.000 1.033 287 S CA 1.810 60.053 58.200 0.072 0.000 1.011 287 S CB -0.842 62.411 63.200 0.088 0.000 0.852 287 S HN 0.636 nan 8.310 nan 0.000 0.457 288 H N 0.790 119.854 119.070 -0.010 0.000 2.319 288 H HA -0.095 4.474 4.556 0.022 0.000 0.299 288 H C 2.526 177.796 175.328 -0.095 0.000 1.092 288 H CA 1.890 57.893 56.048 -0.075 0.000 1.302 288 H CB -1.145 28.535 29.762 -0.138 0.000 1.373 288 H HN 0.558 nan 8.280 nan 0.000 0.497 289 c N 0.145 118.643 118.600 -0.169 0.000 2.413 289 c HA -0.142 4.441 4.570 0.021 0.000 0.277 289 c C 2.855 176.852 174.090 -0.155 0.000 1.228 289 c CA 1.316 57.528 56.329 -0.196 0.000 1.731 289 c CB -1.446 41.040 42.510 -0.040 0.000 2.042 289 c HN 0.714 nan 8.230 nan 0.000 0.468 290 I N 1.677 122.208 120.570 -0.065 0.000 2.264 290 I HA -0.204 3.979 4.170 0.021 0.000 0.248 290 I C 2.800 178.903 176.117 -0.024 0.000 1.111 290 I CA 1.726 63.022 61.300 -0.007 0.000 1.382 290 I CB -0.681 37.343 38.000 0.040 0.000 1.060 290 I HN 0.438 nan 8.210 nan 0.000 0.418 291 A N 0.226 122.996 122.820 -0.084 0.000 2.125 291 A HA -0.160 4.173 4.320 0.021 0.000 0.219 291 A C 1.842 179.346 177.584 -0.132 0.000 1.156 291 A CA 1.431 53.412 52.037 -0.094 0.000 0.671 291 A CB -0.434 18.504 19.000 -0.104 0.000 0.794 291 A HN 0.553 nan 8.150 nan 0.000 0.459 292 E N -0.724 119.366 120.200 -0.184 0.000 2.624 292 E HA 0.220 4.583 4.350 0.021 0.000 0.210 292 E C -0.138 176.399 176.600 -0.106 0.000 0.997 292 E CA -0.397 55.907 56.400 -0.161 0.000 0.999 292 E CB 0.590 30.152 29.700 -0.230 0.000 1.040 292 E HN 0.289 nan 8.360 nan 0.000 0.469 293 V N 1.628 121.498 119.914 -0.073 0.000 3.139 293 V HA -0.029 4.104 4.120 0.021 0.000 0.307 293 V C 0.313 176.377 176.094 -0.050 0.000 1.095 293 V CA 0.250 62.531 62.300 -0.032 0.000 1.160 293 V CB 1.368 33.218 31.823 0.045 0.000 1.003 293 V HN 0.227 nan 8.190 nan 0.000 0.489 294 E N 3.550 123.729 120.200 -0.035 0.000 2.318 294 E HA 0.219 4.582 4.350 0.021 0.000 0.265 294 E C -0.353 176.216 176.600 -0.053 0.000 1.069 294 E CA -0.823 55.545 56.400 -0.054 0.000 0.893 294 E CB 0.617 30.290 29.700 -0.046 0.000 1.076 294 E HN 0.809 nan 8.360 nan 0.000 0.414 295 N N 2.946 121.597 118.700 -0.082 0.000 2.447 295 N HA -0.029 4.724 4.740 0.021 0.000 0.263 295 N C -0.510 174.978 175.510 -0.038 0.000 1.226 295 N CA 0.165 53.161 53.050 -0.090 0.000 0.906 295 N CB 0.556 38.976 38.487 -0.111 0.000 1.060 295 N HN 0.499 nan 8.380 nan 0.000 0.468 296 D N 0.693 121.099 120.400 0.010 0.000 2.363 296 D HA -0.016 4.636 4.640 0.021 0.000 0.240 296 D C -0.075 176.219 176.300 -0.010 0.000 1.236 296 D CA 0.057 54.075 54.000 0.031 0.000 0.927 296 D CB 0.735 41.591 40.800 0.094 0.000 1.150 296 D HN 0.409 nan 8.370 nan 0.000 0.458 297 E N 0.026 120.217 120.200 -0.015 0.000 2.313 297 E HA 0.258 4.620 4.350 0.021 0.000 0.272 297 E C -0.204 176.373 176.600 -0.039 0.000 1.038 297 E CA -0.628 55.749 56.400 -0.037 0.000 0.863 297 E CB 0.712 30.390 29.700 -0.036 0.000 1.060 297 E HN 0.438 nan 8.360 nan 0.000 0.402 298 M N 2.183 121.744 119.600 -0.065 0.000 2.250 298 M HA 0.465 4.958 4.480 0.021 0.000 0.344 298 M C -2.278 173.986 176.300 -0.061 0.000 1.150 298 M CA -1.931 53.326 55.300 -0.072 0.000 1.147 298 M CB 0.498 33.027 32.600 -0.119 0.000 1.498 298 M HN 0.123 nan 8.290 nan 0.000 0.461 299 P HA 0.077 nan 4.420 nan 0.000 0.263 299 P C 0.114 177.383 177.300 -0.051 0.000 1.195 299 P CA 0.164 63.241 63.100 -0.038 0.000 0.762 299 P CB 0.787 32.472 31.700 -0.024 0.000 0.799 300 A N 3.943 126.736 122.820 -0.045 0.000 1.972 300 A HA -0.193 4.140 4.320 0.021 0.000 0.219 300 A C 1.648 179.204 177.584 -0.046 0.000 1.169 300 A CA 1.507 53.514 52.037 -0.049 0.000 0.635 300 A CB -0.781 18.195 19.000 -0.039 0.000 0.810 300 A HN 0.526 nan 8.150 nan 0.000 0.446 301 D N 0.185 120.564 120.400 -0.035 0.000 2.240 301 D HA -0.142 4.511 4.640 0.021 0.000 0.204 301 D C 0.593 176.871 176.300 -0.037 0.000 1.018 301 D CA 1.019 55.002 54.000 -0.029 0.000 0.887 301 D CB -0.853 39.937 40.800 -0.018 0.000 1.087 301 D HN 0.384 nan 8.370 nan 0.000 0.464 302 L N 1.540 122.740 121.223 -0.038 0.000 4.316 302 L HA -0.206 4.147 4.340 0.021 0.000 0.563 302 L C -1.541 175.304 176.870 -0.043 0.000 1.002 302 L CA -0.739 54.072 54.840 -0.049 0.000 0.786 302 L CB -0.801 41.207 42.059 -0.084 0.000 0.563 302 L HN 0.131 nan 8.230 nan 0.000 1.017 303 P HA 0.055 nan 4.420 nan 0.000 0.214 303 P C -0.124 177.162 177.300 -0.023 0.000 1.206 303 P CA 0.101 63.191 63.100 -0.016 0.000 0.715 303 P CB 0.240 31.940 31.700 0.000 0.000 0.633 304 S N -3.104 112.594 115.700 -0.004 0.000 2.565 304 S HA 0.287 4.770 4.470 0.021 0.000 0.269 304 S C 0.572 175.208 174.600 0.060 0.000 1.153 304 S CA -0.671 57.529 58.200 0.000 0.000 0.835 304 S CB 0.035 63.232 63.200 -0.005 0.000 1.122 304 S HN 0.095 nan 8.310 nan 0.000 0.462 305 L N 2.500 123.783 121.223 0.100 0.000 2.141 305 L HA 0.023 4.375 4.340 0.021 0.000 0.209 305 L C 2.885 179.928 176.870 0.289 0.000 1.094 305 L CA 1.530 56.548 54.840 0.295 0.000 0.763 305 L CB -0.952 41.282 42.059 0.292 0.000 0.908 305 L HN 0.855 nan 8.230 nan 0.000 0.437 306 A N 0.754 123.582 122.820 0.013 0.000 1.915 306 A HA -0.321 4.011 4.320 0.021 0.000 0.220 306 A C 2.579 180.141 177.584 -0.036 0.000 1.198 306 A CA 2.362 54.290 52.037 -0.181 0.000 0.647 306 A CB -0.873 17.988 19.000 -0.232 0.000 0.825 306 A HN 0.431 nan 8.150 nan 0.000 0.456 307 A N -0.000 122.822 122.820 0.004 0.000 1.842 307 A HA -0.257 4.076 4.320 0.021 0.000 0.217 307 A C 1.744 179.323 177.584 -0.008 0.000 1.206 307 A CA 1.928 53.968 52.037 0.004 0.000 0.630 307 A CB -0.850 18.153 19.000 0.005 0.000 0.839 307 A HN 0.565 nan 8.150 nan 0.000 0.447 308 D N -1.873 118.500 120.400 -0.045 0.000 2.347 308 D HA 0.038 4.690 4.640 0.021 0.000 0.215 308 D C 0.717 176.768 176.300 -0.416 0.000 0.976 308 D CA 0.794 54.653 54.000 -0.235 0.000 0.884 308 D CB -0.039 40.538 40.800 -0.373 0.000 0.915 308 D HN 0.505 nan 8.370 nan 0.000 0.526 309 F N -0.555 119.469 119.950 0.123 0.000 2.728 309 F HA 0.106 4.647 4.527 0.024 0.000 0.314 309 F C 1.681 177.541 175.800 0.100 0.000 1.094 309 F CA -0.079 58.025 58.000 0.174 0.000 1.217 309 F CB 0.728 39.826 39.000 0.164 0.000 1.056 309 F HN -0.226 nan 8.300 nan 0.000 0.577 310 V N -1.367 118.608 119.914 0.102 0.000 3.658 310 V HA 0.027 4.160 4.120 0.021 0.000 0.197 310 V C 1.734 177.778 176.094 -0.082 0.000 1.295 310 V CA 0.309 62.597 62.300 -0.020 0.000 1.298 310 V CB -0.099 31.667 31.823 -0.094 0.000 1.347 310 V HN -0.048 nan 8.190 nan 0.000 0.548 311 E N 0.967 121.140 120.200 -0.046 0.000 2.001 311 E HA -0.119 4.243 4.350 0.021 0.000 0.195 311 E C 1.161 177.843 176.600 0.136 0.000 1.002 311 E CA 1.250 57.694 56.400 0.073 0.000 0.819 311 E CB -0.279 29.493 29.700 0.119 0.000 0.769 311 E HN 0.388 nan 8.360 nan 0.000 0.454 312 S N 2.096 117.844 115.700 0.080 0.000 3.129 312 S HA -0.119 4.364 4.470 0.021 0.000 0.371 312 S C 0.253 174.914 174.600 0.101 0.000 1.196 312 S CA -0.196 58.047 58.200 0.070 0.000 0.989 312 S CB 0.156 63.363 63.200 0.012 0.000 0.695 312 S HN 0.126 nan 8.310 nan 0.000 0.499 313 K N 4.049 124.515 120.400 0.110 0.000 2.132 313 K HA 0.171 4.504 4.320 0.021 0.000 0.240 313 K C 0.496 177.131 176.600 0.059 0.000 1.036 313 K CA 0.159 56.514 56.287 0.113 0.000 0.888 313 K CB -0.070 32.480 32.500 0.083 0.000 1.071 313 K HN 0.756 nan 8.250 nan 0.000 0.502 314 D N -1.839 118.587 120.400 0.043 0.000 2.653 314 D HA -0.197 4.456 4.640 0.021 0.000 0.184 314 D C 1.123 177.395 176.300 -0.046 0.000 0.993 314 D CA 1.062 55.062 54.000 0.000 0.000 1.027 314 D CB -1.148 39.650 40.800 -0.003 0.000 1.089 314 D HN 0.351 nan 8.370 nan 0.000 0.447 315 V N 0.846 120.747 119.914 -0.023 0.000 2.287 315 V HA -0.299 3.834 4.120 0.021 0.000 0.248 315 V C 2.463 178.433 176.094 -0.207 0.000 1.053 315 V CA 2.654 64.897 62.300 -0.095 0.000 1.027 315 V CB -0.369 31.437 31.823 -0.028 0.000 0.646 315 V HN 0.571 nan 8.190 nan 0.000 0.447 316 c N 0.043 118.612 118.600 -0.052 0.000 2.448 316 c HA 0.006 4.589 4.570 0.021 0.000 0.280 316 c C 2.599 176.664 174.090 -0.042 0.000 1.398 316 c CA 1.088 57.411 56.329 -0.009 0.000 1.774 316 c CB -1.016 41.553 42.510 0.098 0.000 1.888 316 c HN 0.615 nan 8.230 nan 0.000 0.519 317 K N 1.485 121.843 120.400 -0.069 0.000 2.007 317 K HA -0.079 4.254 4.320 0.021 0.000 0.206 317 K C 1.539 178.054 176.600 -0.141 0.000 1.047 317 K CA 1.643 57.886 56.287 -0.073 0.000 0.937 317 K CB -0.415 32.060 32.500 -0.042 0.000 0.718 317 K HN 0.435 nan 8.250 nan 0.000 0.438 318 N N 0.056 118.619 118.700 -0.228 0.000 2.166 318 N HA -0.188 4.565 4.740 0.021 0.000 0.186 318 N C 1.594 176.821 175.510 -0.472 0.000 1.019 318 N CA 1.254 54.120 53.050 -0.306 0.000 0.856 318 N CB -0.425 37.859 38.487 -0.338 0.000 0.993 318 N HN 0.239 nan 8.380 nan 0.000 0.426 319 Y N 0.942 120.721 120.300 -0.869 0.000 2.293 319 Y HA 0.007 4.572 4.550 0.025 0.000 0.291 319 Y C 2.106 177.872 175.900 -0.222 0.000 1.137 319 Y CA 1.159 58.866 58.100 -0.655 0.000 1.202 319 Y CB -0.435 37.692 38.460 -0.555 0.000 0.990 319 Y HN 0.074 nan 8.280 nan 0.000 0.537 320 A N -0.220 122.432 122.820 -0.279 0.000 1.970 320 A HA -0.098 4.234 4.320 0.021 0.000 0.216 320 A C 2.202 179.668 177.584 -0.197 0.000 1.170 320 A CA 1.259 53.130 52.037 -0.277 0.000 0.645 320 A CB -0.698 18.224 19.000 -0.130 0.000 0.816 320 A HN 0.592 nan 8.150 nan 0.000 0.447 321 E N -0.326 119.790 120.200 -0.139 0.000 2.106 321 E HA 0.057 4.420 4.350 0.021 0.000 0.192 321 E C 0.452 177.018 176.600 -0.055 0.000 0.984 321 E CA 0.985 57.339 56.400 -0.077 0.000 0.806 321 E CB -0.045 29.627 29.700 -0.046 0.000 0.750 321 E HN 0.460 nan 8.360 nan 0.000 0.458 322 A N 0.443 123.231 122.820 -0.053 0.000 3.277 322 A HA 0.225 4.558 4.320 0.021 0.000 0.281 322 A C 0.269 177.888 177.584 0.059 0.000 1.179 322 A CA -0.587 51.459 52.037 0.015 0.000 0.879 322 A CB 0.367 19.417 19.000 0.082 0.000 1.374 322 A HN 0.060 nan 8.150 nan 0.000 0.590 323 K N 0.391 120.734 120.400 -0.096 0.000 2.052 323 K HA -0.229 4.104 4.320 0.021 0.000 0.215 323 K C 0.956 177.687 176.600 0.218 0.000 1.053 323 K CA 2.187 58.426 56.287 -0.081 0.000 0.934 323 K CB -0.029 32.263 32.500 -0.347 0.000 0.717 323 K HN 0.676 nan 8.250 nan 0.000 0.450 324 D N 0.509 120.998 120.400 0.149 0.000 2.092 324 D HA -0.136 4.516 4.640 0.021 0.000 0.193 324 D C 2.093 178.537 176.300 0.240 0.000 0.994 324 D CA 1.326 55.437 54.000 0.186 0.000 0.828 324 D CB -0.278 40.603 40.800 0.135 0.000 0.963 324 D HN -0.001 nan 8.370 nan 0.000 0.450 325 V N 1.065 121.122 119.914 0.238 0.000 2.407 325 V HA -0.215 3.918 4.120 0.021 0.000 0.248 325 V C 2.153 178.390 176.094 0.238 0.000 1.055 325 V CA 1.094 63.560 62.300 0.278 0.000 1.049 325 V CB -0.568 31.403 31.823 0.246 0.000 0.662 325 V HN 0.040 nan 8.190 nan 0.000 0.455 326 F N 0.685 120.732 119.950 0.161 0.000 2.060 326 F HA -0.125 4.414 4.527 0.020 0.000 0.295 326 F C 2.065 178.061 175.800 0.327 0.000 1.120 326 F CA 1.653 59.786 58.000 0.222 0.000 1.205 326 F CB -0.376 38.803 39.000 0.297 0.000 0.986 326 F HN -0.003 nan 8.300 nan 0.000 0.470 327 L N -0.188 121.241 121.223 0.343 0.000 2.265 327 L HA -0.150 4.203 4.340 0.021 0.000 0.215 327 L C 2.628 179.624 176.870 0.209 0.000 1.117 327 L CA 1.049 56.052 54.840 0.272 0.000 0.782 327 L CB -1.481 40.774 42.059 0.326 0.000 0.914 327 L HN 0.375 nan 8.230 nan 0.000 0.441 328 G N -0.254 108.674 108.800 0.213 0.000 2.408 328 G HA2 -0.210 3.763 3.960 0.021 0.000 0.217 328 G HA3 -0.210 3.763 3.960 0.021 0.000 0.217 328 G C 1.632 176.674 174.900 0.237 0.000 1.150 328 G CA 0.373 45.648 45.100 0.292 0.000 0.776 328 G HN 0.225 nan 8.290 nan 0.000 0.542 329 M N -0.635 118.889 119.600 -0.126 0.000 2.254 329 M HA 0.140 4.633 4.480 0.021 0.000 0.265 329 M C 2.228 178.563 176.300 0.058 0.000 1.066 329 M CA 0.689 55.845 55.300 -0.239 0.000 1.123 329 M CB -0.281 32.085 32.600 -0.390 0.000 1.388 329 M HN 0.226 nan 8.290 nan 0.000 0.425 330 F N 1.602 121.390 119.950 -0.270 0.000 2.031 330 F HA -0.221 4.315 4.527 0.015 0.000 0.295 330 F C 2.071 177.628 175.800 -0.404 0.000 1.133 330 F CA 1.626 59.152 58.000 -0.790 0.000 1.188 330 F CB -0.722 37.840 39.000 -0.731 0.000 0.974 330 F HN -0.062 nan 8.300 nan 0.000 0.473 331 L N -0.657 120.461 121.223 -0.176 0.000 2.010 331 L HA -0.342 4.011 4.340 0.021 0.000 0.219 331 L C 2.600 179.391 176.870 -0.130 0.000 1.077 331 L CA 2.242 56.966 54.840 -0.194 0.000 0.773 331 L CB -0.874 41.182 42.059 -0.005 0.000 0.892 331 L HN 0.457 nan 8.230 nan 0.000 0.436 332 Y N 0.827 121.086 120.300 -0.068 0.000 2.081 332 Y HA -0.312 4.251 4.550 0.022 0.000 0.280 332 Y C 2.546 178.407 175.900 -0.064 0.000 1.163 332 Y CA 2.065 60.176 58.100 0.018 0.000 1.135 332 Y CB -0.372 38.253 38.460 0.275 0.000 0.970 332 Y HN 0.223 nan 8.280 nan 0.000 0.498 333 E N -0.683 119.276 120.200 -0.402 0.000 2.077 333 E HA -0.242 4.120 4.350 0.021 0.000 0.193 333 E C 2.132 178.460 176.600 -0.453 0.000 0.989 333 E CA 1.572 57.660 56.400 -0.520 0.000 0.800 333 E CB -0.931 28.629 29.700 -0.233 0.000 0.746 333 E HN 0.600 nan 8.360 nan 0.000 0.452 334 Y N 1.231 121.156 120.300 -0.625 0.000 2.133 334 Y HA -0.163 4.398 4.550 0.017 0.000 0.287 334 Y C 2.413 178.079 175.900 -0.390 0.000 1.134 334 Y CA 1.183 58.943 58.100 -0.566 0.000 1.133 334 Y CB -0.763 37.171 38.460 -0.876 0.000 0.987 334 Y HN 0.019 nan 8.280 nan 0.000 0.502 335 A N 1.015 123.741 122.820 -0.156 0.000 1.884 335 A HA -0.320 4.013 4.320 0.021 0.000 0.219 335 A C 2.245 179.715 177.584 -0.190 0.000 1.197 335 A CA 2.744 54.680 52.037 -0.168 0.000 0.637 335 A CB -0.912 17.983 19.000 -0.174 0.000 0.827 335 A HN 0.630 nan 8.150 nan 0.000 0.450 336 R N -0.769 119.574 120.500 -0.261 0.000 2.237 336 R HA -0.005 4.348 4.340 0.021 0.000 0.219 336 R C 1.850 177.995 176.300 -0.259 0.000 1.080 336 R CA 1.538 57.485 56.100 -0.256 0.000 0.995 336 R CB -0.309 29.792 30.300 -0.331 0.000 0.875 336 R HN 0.482 nan 8.270 nan 0.000 0.462 337 R N -0.387 119.945 120.500 -0.281 0.000 2.254 337 R HA 0.128 4.481 4.340 0.021 0.000 0.195 337 R C 0.136 176.073 176.300 -0.606 0.000 0.957 337 R CA 0.413 56.284 56.100 -0.382 0.000 1.024 337 R CB 0.331 30.410 30.300 -0.367 0.000 0.952 337 R HN 0.359 nan 8.270 nan 0.000 0.484 338 H N -0.199 118.662 119.070 -0.347 0.000 2.423 338 H HA 0.184 4.756 4.556 0.027 0.000 0.237 338 H C -2.119 172.998 175.328 -0.353 0.000 1.391 338 H CA -1.812 53.945 56.048 -0.485 0.000 1.453 338 H CB 1.669 30.861 29.762 -0.950 0.000 1.484 338 H HN -0.041 nan 8.280 nan 0.000 0.505 339 P HA -0.133 nan 4.420 nan 0.000 0.219 339 P C 1.360 178.619 177.300 -0.068 0.000 1.150 339 P CA 0.978 63.995 63.100 -0.137 0.000 0.814 339 P CB 0.302 31.919 31.700 -0.140 0.000 0.787 340 D N -2.350 118.026 120.400 -0.039 0.000 2.378 340 D HA -0.132 4.521 4.640 0.021 0.000 0.227 340 D C 0.023 176.471 176.300 0.247 0.000 1.012 340 D CA 0.500 54.544 54.000 0.072 0.000 0.905 340 D CB -0.543 40.306 40.800 0.081 0.000 0.895 340 D HN 0.132 nan 8.370 nan 0.000 0.532 341 Y N 1.304 121.581 120.300 -0.037 0.000 2.419 341 Y HA 0.334 4.900 4.550 0.028 0.000 0.328 341 Y C 0.828 176.653 175.900 -0.124 0.000 1.162 341 Y CA -2.591 55.458 58.100 -0.085 0.000 1.174 341 Y CB 1.613 39.996 38.460 -0.128 0.000 1.228 341 Y HN -0.129 nan 8.280 nan 0.000 0.473 342 S N 0.058 115.758 115.700 0.001 0.000 2.537 342 S HA 0.299 4.782 4.470 0.021 0.000 0.275 342 S C 0.911 175.434 174.600 -0.127 0.000 1.272 342 S CA -0.731 57.429 58.200 -0.067 0.000 1.050 342 S CB 1.094 64.255 63.200 -0.065 0.000 0.961 342 S HN 0.437 nan 8.310 nan 0.000 0.496 343 V N 3.616 123.406 119.914 -0.207 0.000 2.252 343 V HA -0.250 3.883 4.120 0.021 0.000 0.255 343 V C 2.546 178.497 176.094 -0.238 0.000 1.071 343 V CA 2.339 64.432 62.300 -0.345 0.000 1.050 343 V CB -1.263 30.150 31.823 -0.683 0.000 0.654 343 V HN 0.872 nan 8.190 nan 0.000 0.448 344 V N -0.223 119.619 119.914 -0.120 0.000 2.392 344 V HA -0.235 3.898 4.120 0.021 0.000 0.249 344 V C 2.278 178.284 176.094 -0.146 0.000 1.059 344 V CA 2.596 64.850 62.300 -0.076 0.000 1.051 344 V CB -0.239 31.579 31.823 -0.009 0.000 0.658 344 V HN 0.528 nan 8.190 nan 0.000 0.455 345 L N -0.031 121.083 121.223 -0.182 0.000 2.017 345 L HA -0.079 4.273 4.340 0.021 0.000 0.208 345 L C 2.266 178.941 176.870 -0.326 0.000 1.073 345 L CA 2.189 56.869 54.840 -0.267 0.000 0.745 345 L CB -0.835 41.013 42.059 -0.352 0.000 0.894 345 L HN 0.338 nan 8.230 nan 0.000 0.432 346 L N -0.985 120.063 121.223 -0.293 0.000 2.129 346 L HA -0.280 4.073 4.340 0.021 0.000 0.212 346 L C 2.527 179.186 176.870 -0.352 0.000 1.087 346 L CA 1.427 56.047 54.840 -0.366 0.000 0.757 346 L CB -0.496 41.386 42.059 -0.294 0.000 0.896 346 L HN 0.374 nan 8.230 nan 0.000 0.434 347 L N -1.136 119.939 121.223 -0.247 0.000 2.156 347 L HA -0.141 4.212 4.340 0.021 0.000 0.208 347 L C 2.757 179.528 176.870 -0.166 0.000 1.095 347 L CA 0.864 55.601 54.840 -0.172 0.000 0.770 347 L CB -0.409 41.583 42.059 -0.111 0.000 0.914 347 L HN 0.209 nan 8.230 nan 0.000 0.439 348 R N 0.105 120.485 120.500 -0.200 0.000 2.075 348 R HA -0.111 4.242 4.340 0.021 0.000 0.232 348 R C 2.287 178.448 176.300 -0.231 0.000 1.126 348 R CA 1.106 57.101 56.100 -0.175 0.000 0.963 348 R CB -0.459 29.735 30.300 -0.177 0.000 0.858 348 R HN 0.307 nan 8.270 nan 0.000 0.435 349 L N 0.453 121.426 121.223 -0.417 0.000 1.990 349 L HA -0.219 4.133 4.340 0.021 0.000 0.213 349 L C 2.764 179.424 176.870 -0.350 0.000 1.072 349 L CA 1.581 55.986 54.840 -0.724 0.000 0.755 349 L CB -0.794 40.571 42.059 -1.156 0.000 0.889 349 L HN 0.261 nan 8.230 nan 0.000 0.432 350 A N -0.012 122.714 122.820 -0.158 0.000 1.933 350 A HA -0.255 4.077 4.320 0.021 0.000 0.218 350 A C 2.301 179.931 177.584 0.075 0.000 1.175 350 A CA 2.092 54.198 52.037 0.115 0.000 0.628 350 A CB -0.399 18.647 19.000 0.076 0.000 0.814 350 A HN 0.265 nan 8.150 nan 0.000 0.444 351 K N -0.514 119.888 120.400 0.002 0.000 2.025 351 K HA -0.062 4.270 4.320 0.021 0.000 0.207 351 K C 2.017 178.635 176.600 0.030 0.000 1.049 351 K CA 2.220 58.517 56.287 0.016 0.000 0.933 351 K CB -1.086 31.408 32.500 -0.011 0.000 0.714 351 K HN 0.325 nan 8.250 nan 0.000 0.438 352 T N 0.217 114.795 114.554 0.040 0.000 2.665 352 T HA -0.201 4.162 4.350 0.021 0.000 0.268 352 T C 1.411 176.210 174.700 0.165 0.000 1.035 352 T CA 1.799 63.970 62.100 0.118 0.000 1.151 352 T CB -0.604 68.390 68.868 0.210 0.000 0.862 352 T HN 0.340 nan 8.240 nan 0.000 0.438 353 Y N 1.806 122.137 120.300 0.052 0.000 2.165 353 Y HA -0.142 4.418 4.550 0.017 0.000 0.286 353 Y C 2.499 178.284 175.900 -0.192 0.000 1.155 353 Y CA 1.844 59.879 58.100 -0.109 0.000 1.164 353 Y CB -0.377 37.740 38.460 -0.570 0.000 0.978 353 Y HN 0.321 nan 8.280 nan 0.000 0.513 354 E N -1.036 119.065 120.200 -0.165 0.000 2.077 354 E HA -0.187 4.176 4.350 0.021 0.000 0.193 354 E C 1.880 178.381 176.600 -0.165 0.000 0.989 354 E CA 1.824 58.099 56.400 -0.209 0.000 0.800 354 E CB -0.182 29.524 29.700 0.010 0.000 0.746 354 E HN 0.464 nan 8.360 nan 0.000 0.452 355 T N 0.051 114.564 114.554 -0.069 0.000 2.881 355 T HA -0.105 4.257 4.350 0.021 0.000 0.270 355 T C 1.742 176.405 174.700 -0.061 0.000 1.068 355 T CA 1.602 63.682 62.100 -0.034 0.000 1.131 355 T CB -0.232 68.638 68.868 0.003 0.000 0.871 355 T HN 0.203 nan 8.240 nan 0.000 0.479 356 T N 1.782 116.270 114.554 -0.111 0.000 2.894 356 T HA 0.200 4.562 4.350 0.021 0.000 0.258 356 T C 1.895 176.499 174.700 -0.161 0.000 1.043 356 T CA 0.496 62.538 62.100 -0.096 0.000 1.141 356 T CB -0.203 68.631 68.868 -0.057 0.000 0.873 356 T HN 0.251 nan 8.240 nan 0.000 0.449 357 L N 0.944 121.922 121.223 -0.409 0.000 2.275 357 L HA -0.022 4.331 4.340 0.021 0.000 0.215 357 L C 2.729 179.461 176.870 -0.230 0.000 1.119 357 L CA 0.939 55.486 54.840 -0.489 0.000 0.790 357 L CB -0.426 40.948 42.059 -1.143 0.000 0.919 357 L HN 0.198 nan 8.230 nan 0.000 0.443 358 E N 0.986 121.109 120.200 -0.128 0.000 2.072 358 E HA -0.189 4.174 4.350 0.021 0.000 0.190 358 E C 2.100 178.724 176.600 0.039 0.000 0.982 358 E CA 1.270 57.700 56.400 0.050 0.000 0.803 358 E CB 0.080 29.818 29.700 0.063 0.000 0.755 358 E HN 0.616 nan 8.360 nan 0.000 0.453 359 K N -0.485 119.920 120.400 0.009 0.000 2.211 359 K HA 0.075 4.408 4.320 0.021 0.000 0.201 359 K C 2.361 178.975 176.600 0.023 0.000 1.052 359 K CA 0.902 57.199 56.287 0.018 0.000 0.973 359 K CB -0.351 32.156 32.500 0.012 0.000 0.766 359 K HN -0.039 nan 8.250 nan 0.000 0.466 360 c N 1.282 119.901 118.600 0.032 0.000 2.457 360 c HA 0.010 4.593 4.570 0.021 0.000 0.278 360 c C 2.407 176.540 174.090 0.073 0.000 1.309 360 c CA 0.241 56.607 56.329 0.062 0.000 1.735 360 c CB -0.733 41.884 42.510 0.179 0.000 1.992 360 c HN 0.643 nan 8.230 nan 0.000 0.493 361 c N 1.110 119.765 118.600 0.092 0.000 2.546 361 c HA 0.239 4.822 4.570 0.021 0.000 0.275 361 c C 2.356 176.484 174.090 0.064 0.000 1.393 361 c CA 0.679 57.069 56.329 0.101 0.000 1.703 361 c CB -2.130 40.459 42.510 0.132 0.000 1.710 361 c HN 0.702 nan 8.230 nan 0.000 0.581 362 A N -0.096 122.750 122.820 0.045 0.000 2.252 362 A HA 0.629 4.961 4.320 0.021 0.000 0.213 362 A C 1.269 178.861 177.584 0.014 0.000 1.188 362 A CA 0.635 52.689 52.037 0.030 0.000 0.863 362 A CB -0.099 18.919 19.000 0.029 0.000 0.893 362 A HN 0.475 nan 8.150 nan 0.000 0.495 363 A N -0.784 122.040 122.820 0.006 0.000 2.249 363 A HA 0.631 4.964 4.320 0.021 0.000 0.281 363 A C 1.571 179.148 177.584 -0.012 0.000 1.127 363 A CA 0.269 52.300 52.037 -0.010 0.000 0.833 363 A CB -0.033 18.950 19.000 -0.027 0.000 1.140 363 A HN 1.007 nan 8.150 nan 0.000 0.502 364 A N -1.122 121.687 122.820 -0.018 0.000 1.968 364 A HA 0.180 4.513 4.320 0.021 0.000 0.217 364 A C 0.622 178.191 177.584 -0.024 0.000 1.169 364 A CA 1.982 54.009 52.037 -0.017 0.000 0.638 364 A CB -0.193 18.796 19.000 -0.018 0.000 0.812 364 A HN 0.764 nan 8.150 nan 0.000 0.446 365 D N -2.481 117.894 120.400 -0.041 0.000 2.381 365 D HA 0.357 5.010 4.640 0.021 0.000 0.245 365 D C -2.251 173.982 176.300 -0.112 0.000 1.297 365 D CA -1.522 52.445 54.000 -0.056 0.000 0.931 365 D CB 1.101 41.868 40.800 -0.054 0.000 1.334 365 D HN -0.112 nan 8.370 nan 0.000 0.535 366 P HA -0.224 nan 4.420 nan 0.000 0.215 366 P C 1.341 178.137 177.300 -0.840 0.000 1.163 366 P CA 0.954 63.858 63.100 -0.328 0.000 0.894 366 P CB 0.008 31.655 31.700 -0.088 0.000 0.791 367 H N -0.355 118.262 119.070 -0.755 0.000 2.505 367 H HA -0.179 4.390 4.556 0.022 0.000 0.295 367 H C 1.508 176.532 175.328 -0.507 0.000 1.121 367 H CA 1.466 57.098 56.048 -0.692 0.000 1.217 367 H CB 0.025 29.669 29.762 -0.196 0.000 1.357 367 H HN 0.170 nan 8.280 nan 0.000 0.533 368 E N -0.894 119.174 120.200 -0.219 0.000 2.099 368 E HA -0.077 4.286 4.350 0.021 0.000 0.191 368 E C 2.634 179.142 176.600 -0.153 0.000 0.962 368 E CA 0.606 56.939 56.400 -0.113 0.000 0.826 368 E CB -0.962 28.690 29.700 -0.081 0.000 0.788 368 E HN 0.402 nan 8.360 nan 0.000 0.461 369 c N 1.755 120.222 118.600 -0.221 0.000 2.413 369 c HA -0.170 4.413 4.570 0.021 0.000 0.276 369 c C 2.450 176.503 174.090 -0.061 0.000 1.236 369 c CA 1.404 57.653 56.329 -0.133 0.000 1.735 369 c CB -1.071 41.367 42.510 -0.121 0.000 2.031 369 c HN 0.534 nan 8.230 nan 0.000 0.474 370 Y N 0.058 120.346 120.300 -0.020 0.000 2.555 370 Y HA 0.650 5.210 4.550 0.018 0.000 0.259 370 Y C 1.581 177.465 175.900 -0.025 0.000 1.179 370 Y CA -0.388 57.694 58.100 -0.030 0.000 1.230 370 Y CB -1.528 36.898 38.460 -0.058 0.000 1.146 370 Y HN 0.155 nan 8.280 nan 0.000 0.526 371 A N 1.059 123.954 122.820 0.125 0.000 2.264 371 A HA 0.034 4.367 4.320 0.021 0.000 0.207 371 A C 1.489 179.122 177.584 0.082 0.000 1.196 371 A CA 0.745 52.856 52.037 0.123 0.000 0.778 371 A CB -0.496 18.556 19.000 0.087 0.000 0.779 371 A HN 0.504 nan 8.150 nan 0.000 0.483 372 K N -0.948 119.507 120.400 0.090 0.000 2.533 372 K HA 0.140 4.473 4.320 0.021 0.000 0.202 372 K C 1.239 177.866 176.600 0.046 0.000 1.096 372 K CA 0.574 56.893 56.287 0.053 0.000 1.056 372 K CB 0.723 33.244 32.500 0.035 0.000 0.890 372 K HN 0.278 nan 8.250 nan 0.000 0.552 373 V N -1.011 118.946 119.914 0.072 0.000 2.277 373 V HA -0.320 3.813 4.120 0.021 0.000 0.253 373 V C 1.756 177.598 176.094 -0.421 0.000 1.067 373 V CA 1.657 63.909 62.300 -0.079 0.000 1.047 373 V CB -0.939 30.898 31.823 0.025 0.000 0.649 373 V HN 0.111 nan 8.190 nan 0.000 0.447 374 F N 1.348 120.942 119.950 -0.594 0.000 2.449 374 F HA -0.071 4.466 4.527 0.017 0.000 0.299 374 F C 2.177 177.827 175.800 -0.250 0.000 1.092 374 F CA 1.124 58.780 58.000 -0.573 0.000 1.446 374 F CB -0.995 37.897 39.000 -0.180 0.000 1.084 374 F HN 0.286 nan 8.300 nan 0.000 0.567 375 D N -0.114 120.278 120.400 -0.013 0.000 2.194 375 D HA -0.091 4.562 4.640 0.021 0.000 0.204 375 D C 1.858 178.178 176.300 0.033 0.000 0.964 375 D CA 0.831 54.851 54.000 0.034 0.000 0.846 375 D CB -0.139 40.681 40.800 0.032 0.000 0.962 375 D HN 0.414 nan 8.370 nan 0.000 0.490 376 E N -0.134 120.059 120.200 -0.011 0.000 2.347 376 E HA -0.078 4.285 4.350 0.021 0.000 0.196 376 E C 1.523 178.267 176.600 0.240 0.000 1.008 376 E CA 0.296 56.745 56.400 0.082 0.000 0.852 376 E CB 0.031 29.780 29.700 0.082 0.000 0.783 376 E HN 0.214 nan 8.360 nan 0.000 0.505 377 F N 1.574 121.529 119.950 0.008 0.000 2.234 377 F HA 0.011 4.541 4.527 0.005 0.000 0.296 377 F C 2.218 177.993 175.800 -0.042 0.000 1.089 377 F CA 0.553 58.524 58.000 -0.049 0.000 1.343 377 F CB -0.721 38.228 39.000 -0.085 0.000 1.040 377 F HN -0.086 nan 8.300 nan 0.000 0.498 378 K N 1.031 121.548 120.400 0.196 0.000 2.001 378 K HA -0.184 4.149 4.320 0.021 0.000 0.214 378 K C -0.551 176.080 176.600 0.052 0.000 1.050 378 K CA 2.033 58.386 56.287 0.111 0.000 0.934 378 K CB -1.348 31.211 32.500 0.099 0.000 0.718 378 K HN 0.108 nan 8.250 nan 0.000 0.443 379 P HA -0.176 nan 4.420 nan 0.000 0.218 379 P C 1.443 178.736 177.300 -0.013 0.000 1.148 379 P CA 1.083 64.194 63.100 0.019 0.000 0.822 379 P CB 0.035 31.751 31.700 0.027 0.000 0.784 380 L N -0.804 120.409 121.223 -0.018 0.000 2.156 380 L HA -0.056 4.297 4.340 0.021 0.000 0.208 380 L C 2.670 179.443 176.870 -0.162 0.000 1.095 380 L CA 1.317 56.109 54.840 -0.080 0.000 0.770 380 L CB -1.219 40.790 42.059 -0.084 0.000 0.914 380 L HN -0.168 nan 8.230 nan 0.000 0.439 381 V N -1.162 118.649 119.914 -0.173 0.000 2.426 381 V HA -0.150 3.982 4.120 0.021 0.000 0.242 381 V C 2.247 178.232 176.094 -0.182 0.000 1.036 381 V CA 1.005 63.132 62.300 -0.289 0.000 1.044 381 V CB -0.201 31.463 31.823 -0.265 0.000 0.688 381 V HN 0.412 nan 8.190 nan 0.000 0.462 382 E N -0.078 120.072 120.200 -0.084 0.000 2.097 382 E HA -0.280 4.083 4.350 0.021 0.000 0.196 382 E C 2.201 178.771 176.600 -0.050 0.000 1.000 382 E CA 1.491 57.865 56.400 -0.043 0.000 0.804 382 E CB -0.147 29.547 29.700 -0.011 0.000 0.740 382 E HN 0.553 nan 8.360 nan 0.000 0.454 383 E N 0.421 120.586 120.200 -0.058 0.000 2.013 383 E HA -0.181 4.181 4.350 0.021 0.000 0.202 383 E C -0.586 175.983 176.600 -0.052 0.000 1.018 383 E CA 1.849 58.221 56.400 -0.046 0.000 0.834 383 E CB -0.982 28.690 29.700 -0.047 0.000 0.770 383 E HN 0.167 nan 8.360 nan 0.000 0.459 384 P HA -0.171 nan 4.420 nan 0.000 0.217 384 P C 1.314 178.579 177.300 -0.059 0.000 1.148 384 P CA 1.589 64.644 63.100 -0.076 0.000 0.828 384 P CB -0.167 31.458 31.700 -0.124 0.000 0.783 385 Q N -0.322 119.436 119.800 -0.071 0.000 1.990 385 Q HA -0.113 4.240 4.340 0.021 0.000 0.200 385 Q C 2.294 178.286 176.000 -0.013 0.000 0.980 385 Q CA 1.127 56.909 55.803 -0.036 0.000 0.832 385 Q CB -0.575 28.146 28.738 -0.028 0.000 0.897 385 Q HN 0.297 nan 8.270 nan 0.000 0.427 386 N N 0.844 119.538 118.700 -0.011 0.000 2.192 386 N HA -0.166 4.587 4.740 0.021 0.000 0.188 386 N C 1.867 177.382 175.510 0.009 0.000 1.013 386 N CA 1.043 54.094 53.050 0.002 0.000 0.863 386 N CB -0.191 38.297 38.487 0.002 0.000 0.990 386 N HN 0.227 nan 8.380 nan 0.000 0.430 387 L N 0.950 122.178 121.223 0.008 0.000 2.005 387 L HA -0.072 4.280 4.340 0.021 0.000 0.207 387 L C 2.290 179.176 176.870 0.027 0.000 1.072 387 L CA 0.772 55.626 54.840 0.024 0.000 0.744 387 L CB -0.404 41.671 42.059 0.027 0.000 0.895 387 L HN 0.079 nan 8.230 nan 0.000 0.433 388 I N -0.146 120.432 120.570 0.013 0.000 2.181 388 I HA -0.383 3.800 4.170 0.021 0.000 0.247 388 I C 2.542 178.663 176.117 0.007 0.000 1.081 388 I CA 1.362 62.666 61.300 0.007 0.000 1.340 388 I CB -0.285 37.714 38.000 -0.003 0.000 1.036 388 I HN 0.230 nan 8.210 nan 0.000 0.417 389 K N 0.489 120.895 120.400 0.010 0.000 2.007 389 K HA -0.167 4.165 4.320 0.021 0.000 0.206 389 K C 2.057 178.668 176.600 0.019 0.000 1.047 389 K CA 1.160 57.454 56.287 0.012 0.000 0.937 389 K CB -0.528 31.980 32.500 0.013 0.000 0.718 389 K HN 0.253 nan 8.250 nan 0.000 0.438 390 Q N 0.506 120.322 119.800 0.028 0.000 2.112 390 Q HA -0.222 4.130 4.340 0.021 0.000 0.206 390 Q C 1.352 177.387 176.000 0.059 0.000 0.987 390 Q CA 1.705 57.532 55.803 0.040 0.000 0.858 390 Q CB -0.053 28.711 28.738 0.043 0.000 0.905 390 Q HN 0.330 nan 8.270 nan 0.000 0.420 391 N N -0.102 118.641 118.700 0.072 0.000 2.132 391 N HA -0.105 4.648 4.740 0.021 0.000 0.187 391 N C 2.006 177.512 175.510 -0.006 0.000 1.038 391 N CA 1.318 54.436 53.050 0.112 0.000 0.846 391 N CB -0.766 37.821 38.487 0.166 0.000 1.012 391 N HN 0.287 nan 8.380 nan 0.000 0.429 392 c N 1.582 120.162 118.600 -0.034 0.000 2.403 392 c HA -0.064 4.518 4.570 0.021 0.000 0.279 392 c C 2.625 176.705 174.090 -0.016 0.000 1.269 392 c CA 0.529 56.813 56.329 -0.074 0.000 1.774 392 c CB -0.960 41.508 42.510 -0.071 0.000 1.993 392 c HN 0.496 nan 8.230 nan 0.000 0.496 393 E N -0.124 120.074 120.200 -0.004 0.000 2.072 393 E HA -0.160 4.203 4.350 0.021 0.000 0.190 393 E C 1.995 178.589 176.600 -0.009 0.000 0.982 393 E CA 0.699 57.101 56.400 0.004 0.000 0.803 393 E CB -0.202 29.505 29.700 0.011 0.000 0.755 393 E HN 0.440 nan 8.360 nan 0.000 0.453 394 L N 0.428 121.644 121.223 -0.011 0.000 2.131 394 L HA -0.115 4.237 4.340 0.021 0.000 0.210 394 L C 1.792 178.569 176.870 -0.156 0.000 1.092 394 L CA 1.413 56.247 54.840 -0.010 0.000 0.759 394 L CB -0.492 41.634 42.059 0.111 0.000 0.903 394 L HN 0.107 nan 8.230 nan 0.000 0.435 395 F N -0.521 119.108 119.950 -0.536 0.000 2.722 395 F HA -0.114 4.426 4.527 0.021 0.000 0.298 395 F C 1.935 177.542 175.800 -0.321 0.000 1.175 395 F CA 0.782 58.319 58.000 -0.771 0.000 1.462 395 F CB 0.180 38.695 39.000 -0.808 0.000 1.111 395 F HN 0.186 nan 8.300 nan 0.000 0.592 396 E N -0.159 119.961 120.200 -0.133 0.000 2.083 396 E HA -0.043 4.320 4.350 0.021 0.000 0.193 396 E C 2.047 178.582 176.600 -0.109 0.000 0.950 396 E CA 0.694 57.037 56.400 -0.094 0.000 0.849 396 E CB -0.392 29.300 29.700 -0.013 0.000 0.827 396 E HN 0.227 nan 8.360 nan 0.000 0.465 397 Q N 0.152 119.913 119.800 -0.066 0.000 2.156 397 Q HA -0.124 4.228 4.340 0.021 0.000 0.211 397 Q C 0.227 176.192 176.000 -0.058 0.000 0.995 397 Q CA 1.341 57.118 55.803 -0.042 0.000 0.877 397 Q CB -0.445 28.284 28.738 -0.015 0.000 0.920 397 Q HN 0.233 nan 8.270 nan 0.000 0.416 398 L N -1.746 119.422 121.223 -0.093 0.000 2.330 398 L HA 0.708 5.060 4.340 0.021 0.000 0.271 398 L C 0.649 177.367 176.870 -0.253 0.000 1.013 398 L CA -1.092 53.693 54.840 -0.092 0.000 0.816 398 L CB 1.376 43.437 42.059 0.004 0.000 1.287 398 L HN -0.029 nan 8.230 nan 0.000 0.435 399 G N -0.407 108.272 108.800 -0.202 0.000 2.543 399 G HA2 0.172 4.145 3.960 0.021 0.000 0.290 399 G HA3 0.172 4.145 3.960 0.021 0.000 0.290 399 G C 0.459 175.142 174.900 -0.361 0.000 1.310 399 G CA -0.205 44.691 45.100 -0.339 0.000 1.025 399 G HN 0.899 nan 8.290 nan 0.000 0.502 400 E N -1.156 118.839 120.200 -0.342 0.000 2.055 400 E HA -0.337 4.025 4.350 0.021 0.000 0.209 400 E C 1.919 178.631 176.600 0.186 0.000 1.036 400 E CA 2.038 58.458 56.400 0.033 0.000 0.849 400 E CB -0.363 29.470 29.700 0.221 0.000 0.767 400 E HN 0.546 nan 8.360 nan 0.000 0.461 401 Y N 1.247 121.580 120.300 0.055 0.000 2.097 401 Y HA -0.232 4.331 4.550 0.022 0.000 0.282 401 Y C 2.348 178.280 175.900 0.053 0.000 1.152 401 Y CA 2.407 60.540 58.100 0.055 0.000 1.136 401 Y CB -0.300 38.181 38.460 0.036 0.000 0.975 401 Y HN -0.046 nan 8.280 nan 0.000 0.498 402 K N -0.878 119.482 120.400 -0.067 0.000 2.209 402 K HA -0.202 4.131 4.320 0.021 0.000 0.204 402 K C 1.937 178.489 176.600 -0.079 0.000 1.048 402 K CA 1.442 57.647 56.287 -0.137 0.000 0.940 402 K CB -0.491 32.029 32.500 0.034 0.000 0.729 402 K HN 0.440 nan 8.250 nan 0.000 0.451 403 F N 1.365 121.212 119.950 -0.170 0.000 2.387 403 F HA 0.028 4.567 4.527 0.019 0.000 0.294 403 F C 1.779 177.544 175.800 -0.058 0.000 1.093 403 F CA 0.893 58.833 58.000 -0.099 0.000 1.420 403 F CB 0.071 39.020 39.000 -0.086 0.000 1.086 403 F HN 0.008 nan 8.300 nan 0.000 0.531 404 Q N 0.093 119.757 119.800 -0.228 0.000 2.224 404 Q HA -0.136 4.216 4.340 0.021 0.000 0.203 404 Q C 1.512 177.335 176.000 -0.296 0.000 0.970 404 Q CA 1.056 56.682 55.803 -0.295 0.000 0.865 404 Q CB -0.279 28.392 28.738 -0.111 0.000 0.922 404 Q HN 0.430 nan 8.270 nan 0.000 0.445 405 N N 0.236 118.743 118.700 -0.323 0.000 2.459 405 N HA -0.045 4.708 4.740 0.021 0.000 0.181 405 N C 1.343 176.730 175.510 -0.204 0.000 1.046 405 N CA 0.916 53.802 53.050 -0.273 0.000 0.904 405 N CB 0.161 38.448 38.487 -0.333 0.000 0.964 405 N HN 0.212 nan 8.380 nan 0.000 0.444 406 A N 0.923 123.604 122.820 -0.232 0.000 1.903 406 A HA 0.068 4.401 4.320 0.021 0.000 0.213 406 A C 2.285 179.710 177.584 -0.266 0.000 1.185 406 A CA 0.431 52.350 52.037 -0.196 0.000 0.628 406 A CB -0.454 18.469 19.000 -0.128 0.000 0.830 406 A HN 0.135 nan 8.150 nan 0.000 0.446 407 L N -0.723 120.285 121.223 -0.358 0.000 2.046 407 L HA -0.154 4.199 4.340 0.021 0.000 0.208 407 L C 2.446 179.226 176.870 -0.150 0.000 1.077 407 L CA 0.636 55.287 54.840 -0.316 0.000 0.747 407 L CB -0.761 41.220 42.059 -0.131 0.000 0.896 407 L HN 0.288 nan 8.230 nan 0.000 0.432 408 L N -0.013 121.160 121.223 -0.085 0.000 1.997 408 L HA -0.219 4.133 4.340 0.021 0.000 0.216 408 L C 2.519 179.362 176.870 -0.045 0.000 1.074 408 L CA 1.827 56.654 54.840 -0.022 0.000 0.763 408 L CB -0.739 41.281 42.059 -0.066 0.000 0.890 408 L HN -0.011 nan 8.230 nan 0.000 0.434 409 V N -0.193 119.661 119.914 -0.100 0.000 2.307 409 V HA -0.279 3.854 4.120 0.021 0.000 0.245 409 V C 2.748 178.763 176.094 -0.133 0.000 1.045 409 V CA 1.946 64.189 62.300 -0.094 0.000 1.024 409 V CB -0.712 31.056 31.823 -0.092 0.000 0.651 409 V HN 0.524 nan 8.190 nan 0.000 0.449 410 R N -0.870 119.488 120.500 -0.236 0.000 2.103 410 R HA -0.225 4.128 4.340 0.021 0.000 0.242 410 R C 2.283 178.381 176.300 -0.338 0.000 1.142 410 R CA 2.234 58.132 56.100 -0.338 0.000 0.960 410 R CB -0.345 29.637 30.300 -0.530 0.000 0.858 410 R HN 0.545 nan 8.270 nan 0.000 0.439 411 Y N -0.095 120.169 120.300 -0.060 0.000 2.365 411 Y HA 0.025 4.587 4.550 0.020 0.000 0.293 411 Y C 2.514 178.377 175.900 -0.061 0.000 1.119 411 Y CA 1.231 59.300 58.100 -0.050 0.000 1.203 411 Y CB -0.471 37.957 38.460 -0.052 0.000 1.026 411 Y HN 0.037 nan 8.280 nan 0.000 0.549 412 T N 0.133 114.718 114.554 0.052 0.000 2.867 412 T HA -0.133 4.230 4.350 0.021 0.000 0.268 412 T C 1.611 176.255 174.700 -0.092 0.000 1.057 412 T CA 1.318 63.405 62.100 -0.022 0.000 1.136 412 T CB -0.141 68.709 68.868 -0.030 0.000 0.874 412 T HN 0.343 nan 8.240 nan 0.000 0.466 413 K N 0.618 120.973 120.400 -0.076 0.000 2.365 413 K HA 0.113 4.445 4.320 0.021 0.000 0.197 413 K C 2.138 178.697 176.600 -0.067 0.000 1.042 413 K CA 0.531 56.764 56.287 -0.089 0.000 0.987 413 K CB 0.190 32.651 32.500 -0.066 0.000 0.779 413 K HN 0.263 nan 8.250 nan 0.000 0.484 414 K N 0.823 121.207 120.400 -0.027 0.000 2.029 414 K HA -0.013 4.320 4.320 0.021 0.000 0.205 414 K C 1.094 177.694 176.600 0.001 0.000 1.042 414 K CA 1.200 57.494 56.287 0.012 0.000 0.949 414 K CB 0.357 32.908 32.500 0.084 0.000 0.740 414 K HN 0.033 nan 8.250 nan 0.000 0.442 415 V N -0.734 119.181 119.914 0.002 0.000 2.405 415 V HA 0.241 4.374 4.120 0.021 0.000 0.253 415 V C -2.292 173.753 176.094 -0.082 0.000 0.963 415 V CA -1.467 60.827 62.300 -0.010 0.000 1.003 415 V CB 0.979 32.832 31.823 0.050 0.000 1.251 415 V HN -0.007 nan 8.190 nan 0.000 0.520 416 P HA -0.142 nan 4.420 nan 0.000 0.223 416 P C 0.525 177.642 177.300 -0.304 0.000 1.144 416 P CA 1.143 63.937 63.100 -0.511 0.000 0.783 416 P CB 0.353 31.256 31.700 -1.328 0.000 0.771 417 Q N 0.663 120.419 119.800 -0.074 0.000 3.150 417 Q HA 0.313 4.666 4.340 0.021 0.000 0.297 417 Q C -0.635 175.413 176.000 0.080 0.000 1.382 417 Q CA -0.146 55.733 55.803 0.126 0.000 1.059 417 Q CB 0.382 29.250 28.738 0.216 0.000 1.559 417 Q HN 0.067 nan 8.270 nan 0.000 0.548 418 V N 0.216 120.159 119.914 0.048 0.000 2.851 418 V HA 0.158 4.291 4.120 0.021 0.000 0.307 418 V C 0.065 176.178 176.094 0.031 0.000 1.129 418 V CA -0.992 61.337 62.300 0.048 0.000 0.932 418 V CB 2.217 34.072 31.823 0.054 0.000 1.024 418 V HN 0.507 nan 8.190 nan 0.000 0.426 419 S N 2.669 118.384 115.700 0.025 0.000 3.116 419 S HA -0.103 4.380 4.470 0.021 0.000 0.367 419 S C 1.561 176.167 174.600 0.010 0.000 1.202 419 S CA 1.000 59.208 58.200 0.013 0.000 1.018 419 S CB 0.361 63.565 63.200 0.007 0.000 0.726 419 S HN 0.937 nan 8.310 nan 0.000 0.506 420 T N 7.241 121.799 114.554 0.005 0.000 2.759 420 T HA -0.041 4.321 4.350 0.021 0.000 0.269 420 T C -0.852 173.848 174.700 0.001 0.000 1.042 420 T CA 1.557 63.658 62.100 0.002 0.000 1.140 420 T CB -0.709 68.155 68.868 -0.008 0.000 0.864 420 T HN 0.699 nan 8.240 nan 0.000 0.455 421 P HA 0.086 nan 4.420 nan 0.000 0.236 421 P C 1.032 178.332 177.300 0.001 0.000 1.177 421 P CA 0.880 63.980 63.100 0.001 0.000 0.773 421 P CB -0.092 31.608 31.700 -0.000 0.000 0.878 422 T N -0.116 114.438 114.554 0.000 0.000 3.009 422 T HA 0.098 4.461 4.350 0.021 0.000 0.258 422 T C 1.824 176.516 174.700 -0.014 0.000 1.063 422 T CA 0.364 62.462 62.100 -0.004 0.000 1.139 422 T CB -0.497 68.374 68.868 0.005 0.000 0.890 422 T HN 0.022 nan 8.240 nan 0.000 0.471 423 L N 0.845 122.064 121.223 -0.006 0.000 2.093 423 L HA -0.056 4.296 4.340 0.021 0.000 0.208 423 L C 2.440 179.306 176.870 -0.007 0.000 1.085 423 L CA 0.894 55.731 54.840 -0.006 0.000 0.755 423 L CB -0.235 41.830 42.059 0.010 0.000 0.904 423 L HN 0.139 nan 8.230 nan 0.000 0.435 424 V N -0.607 119.307 119.914 -0.001 0.000 2.453 424 V HA -0.260 3.873 4.120 0.021 0.000 0.247 424 V C 2.356 178.449 176.094 -0.001 0.000 1.048 424 V CA 1.802 64.105 62.300 0.005 0.000 1.049 424 V CB -0.376 31.456 31.823 0.015 0.000 0.672 424 V HN 0.489 nan 8.190 nan 0.000 0.457 425 E N 0.233 120.428 120.200 -0.008 0.000 2.028 425 E HA -0.169 4.194 4.350 0.021 0.000 0.191 425 E C 2.264 178.844 176.600 -0.034 0.000 0.988 425 E CA 1.578 57.971 56.400 -0.012 0.000 0.799 425 E CB 0.015 29.710 29.700 -0.010 0.000 0.755 425 E HN 0.387 nan 8.360 nan 0.000 0.447 426 V N 0.861 120.738 119.914 -0.061 0.000 2.255 426 V HA -0.285 3.848 4.120 0.021 0.000 0.247 426 V C 2.481 178.502 176.094 -0.121 0.000 1.051 426 V CA 1.992 64.222 62.300 -0.118 0.000 1.018 426 V CB -0.683 31.032 31.823 -0.180 0.000 0.641 426 V HN 0.251 nan 8.190 nan 0.000 0.445 427 S N -0.460 115.191 115.700 -0.082 0.000 2.359 427 S HA -0.270 4.213 4.470 0.021 0.000 0.222 427 S C 2.075 176.656 174.600 -0.032 0.000 1.038 427 S CA 1.988 60.170 58.200 -0.030 0.000 1.051 427 S CB -0.401 62.806 63.200 0.012 0.000 0.944 427 S HN 0.523 nan 8.310 nan 0.000 0.433 428 R N 1.247 121.738 120.500 -0.015 0.000 2.096 428 R HA -0.073 4.280 4.340 0.021 0.000 0.240 428 R C 2.148 178.454 176.300 0.009 0.000 1.139 428 R CA 1.492 57.599 56.100 0.011 0.000 0.952 428 R CB -0.550 29.767 30.300 0.029 0.000 0.854 428 R HN 0.410 nan 8.270 nan 0.000 0.436 429 N N 0.588 119.277 118.700 -0.018 0.000 2.104 429 N HA -0.149 4.604 4.740 0.021 0.000 0.190 429 N C 1.753 177.248 175.510 -0.025 0.000 1.024 429 N CA 1.025 54.058 53.050 -0.028 0.000 0.853 429 N CB -0.159 38.300 38.487 -0.046 0.000 1.008 429 N HN 0.076 nan 8.380 nan 0.000 0.424 430 L N 1.148 122.350 121.223 -0.036 0.000 2.042 430 L HA -0.079 4.273 4.340 0.021 0.000 0.210 430 L C 2.503 179.415 176.870 0.071 0.000 1.076 430 L CA 1.519 56.356 54.840 -0.006 0.000 0.749 430 L CB -1.873 40.175 42.059 -0.019 0.000 0.893 430 L HN 0.157 nan 8.230 nan 0.000 0.432 431 G N -0.439 108.407 108.800 0.077 0.000 2.491 431 G HA2 -0.319 3.654 3.960 0.021 0.000 0.218 431 G HA3 -0.319 3.654 3.960 0.021 0.000 0.218 431 G C 1.788 176.834 174.900 0.244 0.000 1.180 431 G CA 0.876 46.111 45.100 0.224 0.000 0.774 431 G HN 0.351 nan 8.290 nan 0.000 0.562 432 K N -0.173 120.292 120.400 0.109 0.000 2.103 432 K HA -0.028 4.305 4.320 0.021 0.000 0.207 432 K C 2.564 179.133 176.600 -0.052 0.000 1.048 432 K CA 1.063 57.371 56.287 0.035 0.000 0.930 432 K CB -0.326 32.157 32.500 -0.029 0.000 0.716 432 K HN 0.225 nan 8.250 nan 0.000 0.444 433 V N 0.888 120.771 119.914 -0.052 0.000 2.469 433 V HA -0.207 3.926 4.120 0.021 0.000 0.251 433 V C 2.328 178.372 176.094 -0.082 0.000 1.064 433 V CA 2.177 64.436 62.300 -0.068 0.000 1.066 433 V CB -0.887 30.945 31.823 0.015 0.000 0.667 433 V HN 0.518 nan 8.190 nan 0.000 0.461 434 G N -0.020 108.755 108.800 -0.042 0.000 2.432 434 G HA2 -0.231 3.741 3.960 0.021 0.000 0.219 434 G HA3 -0.231 3.741 3.960 0.021 0.000 0.219 434 G C 1.808 176.231 174.900 -0.796 0.000 1.135 434 G CA 1.306 46.249 45.100 -0.262 0.000 0.767 434 G HN 0.660 nan 8.290 nan 0.000 0.550 435 S N 0.081 115.463 115.700 -0.530 0.000 2.456 435 S HA 0.136 4.619 4.470 0.021 0.000 0.224 435 S C 2.022 176.478 174.600 -0.239 0.000 1.035 435 S CA 0.836 58.758 58.200 -0.462 0.000 0.940 435 S CB 0.008 63.281 63.200 0.121 0.000 0.799 435 S HN 0.156 nan 8.310 nan 0.000 0.508 436 K N 0.765 121.052 120.400 -0.188 0.000 2.209 436 K HA 0.157 4.490 4.320 0.021 0.000 0.204 436 K C 1.761 178.211 176.600 -0.250 0.000 1.048 436 K CA 1.258 57.450 56.287 -0.158 0.000 0.940 436 K CB -0.538 31.837 32.500 -0.208 0.000 0.729 436 K HN 0.546 nan 8.250 nan 0.000 0.451 437 c N -1.998 116.432 118.600 -0.284 0.000 2.393 437 c HA 0.098 4.681 4.570 0.021 0.000 0.332 437 c C 2.276 176.192 174.090 -0.289 0.000 1.423 437 c CA -0.409 55.699 56.329 -0.369 0.000 2.097 437 c CB -0.488 41.903 42.510 -0.199 0.000 2.274 437 c HN 0.475 nan 8.230 nan 0.000 0.570 438 c N 2.746 121.162 118.600 -0.307 0.000 2.388 438 c HA -0.143 4.439 4.570 0.021 0.000 0.299 438 c C 2.602 176.614 174.090 -0.131 0.000 1.390 438 c CA 1.644 57.820 56.329 -0.255 0.000 1.808 438 c CB -1.998 40.236 42.510 -0.460 0.000 1.831 438 c HN 0.754 nan 8.230 nan 0.000 0.548 439 K N 0.292 120.631 120.400 -0.102 0.000 2.076 439 K HA -0.046 4.286 4.320 0.021 0.000 0.204 439 K C 0.664 177.340 176.600 0.126 0.000 1.051 439 K CA 0.657 56.961 56.287 0.027 0.000 0.949 439 K CB -0.547 31.990 32.500 0.061 0.000 0.726 439 K HN 0.591 nan 8.250 nan 0.000 0.443 440 H N 2.791 121.848 119.070 -0.022 0.000 2.964 440 H HA 0.022 4.590 4.556 0.021 0.000 0.368 440 H C -1.971 173.348 175.328 -0.014 0.000 1.212 440 H CA -1.433 54.608 56.048 -0.012 0.000 1.421 440 H CB 0.087 29.844 29.762 -0.009 0.000 1.385 440 H HN 0.300 nan 8.280 nan 0.000 0.614 441 P HA -0.010 nan 4.420 nan 0.000 0.278 441 P C 0.110 177.439 177.300 0.048 0.000 1.258 441 P CA -0.335 62.791 63.100 0.043 0.000 0.811 441 P CB 0.739 32.441 31.700 0.004 0.000 1.063 442 E N 0.865 121.085 120.200 0.032 0.000 2.494 442 E HA -0.111 4.252 4.350 0.021 0.000 0.209 442 E C 0.910 177.532 176.600 0.035 0.000 1.185 442 E CA 0.983 57.403 56.400 0.033 0.000 0.940 442 E CB -1.218 28.497 29.700 0.026 0.000 0.902 442 E HN 0.440 nan 8.360 nan 0.000 0.577 443 A N -0.500 122.338 122.820 0.030 0.000 2.498 443 A HA 0.267 4.600 4.320 0.021 0.000 0.238 443 A C 1.328 178.926 177.584 0.023 0.000 1.225 443 A CA -0.260 51.787 52.037 0.017 0.000 0.978 443 A CB 0.518 19.509 19.000 -0.014 0.000 1.142 443 A HN 0.131 nan 8.150 nan 0.000 0.552 444 K N -0.704 119.731 120.400 0.058 0.000 2.477 444 K HA 0.236 4.569 4.320 0.021 0.000 0.208 444 K C 1.520 178.210 176.600 0.150 0.000 1.117 444 K CA -0.275 56.075 56.287 0.105 0.000 1.039 444 K CB 0.580 33.151 32.500 0.118 0.000 0.937 444 K HN 0.251 nan 8.250 nan 0.000 0.570 445 R N 1.126 121.684 120.500 0.097 0.000 2.096 445 R HA -0.078 4.275 4.340 0.021 0.000 0.229 445 R C 2.287 178.595 176.300 0.015 0.000 1.134 445 R CA 1.901 58.025 56.100 0.040 0.000 0.917 445 R CB -0.283 30.030 30.300 0.022 0.000 0.832 445 R HN 0.119 nan 8.270 nan 0.000 0.430 446 M N 0.575 120.186 119.600 0.019 0.000 2.082 446 M HA -0.139 4.354 4.480 0.021 0.000 0.258 446 M C -0.953 175.343 176.300 -0.007 0.000 1.069 446 M CA 2.063 57.364 55.300 0.001 0.000 1.102 446 M CB -0.793 31.808 32.600 0.002 0.000 1.336 446 M HN -0.012 nan 8.290 nan 0.000 0.404 447 P HA -0.124 nan 4.420 nan 0.000 0.217 447 P C 1.666 178.942 177.300 -0.040 0.000 1.150 447 P CA 1.169 64.254 63.100 -0.024 0.000 0.832 447 P CB -0.339 31.346 31.700 -0.025 0.000 0.787 448 c N -0.097 118.489 118.600 -0.024 0.000 2.496 448 c HA -0.024 4.559 4.570 0.021 0.000 0.281 448 c C 2.840 176.889 174.090 -0.069 0.000 1.250 448 c CA 1.608 57.895 56.329 -0.071 0.000 1.717 448 c CB -1.604 40.856 42.510 -0.084 0.000 2.082 448 c HN 0.230 nan 8.230 nan 0.000 0.472 449 A N 0.387 123.199 122.820 -0.015 0.000 1.884 449 A HA -0.319 4.014 4.320 0.021 0.000 0.219 449 A C 2.208 179.800 177.584 0.012 0.000 1.197 449 A CA 2.408 54.459 52.037 0.022 0.000 0.637 449 A CB -1.302 17.703 19.000 0.008 0.000 0.827 449 A HN 0.851 nan 8.150 nan 0.000 0.450 450 E N -0.604 119.590 120.200 -0.010 0.000 2.114 450 E HA -0.311 4.052 4.350 0.021 0.000 0.199 450 E C 1.789 178.386 176.600 -0.006 0.000 1.008 450 E CA 1.653 58.054 56.400 0.002 0.000 0.810 450 E CB -0.281 29.421 29.700 0.003 0.000 0.739 450 E HN 0.642 nan 8.360 nan 0.000 0.456 451 D N -0.941 119.409 120.400 -0.083 0.000 2.117 451 D HA -0.160 4.493 4.640 0.021 0.000 0.198 451 D C 1.624 177.808 176.300 -0.193 0.000 0.982 451 D CA 0.988 54.885 54.000 -0.172 0.000 0.828 451 D CB -0.056 40.538 40.800 -0.344 0.000 0.967 451 D HN 0.290 nan 8.370 nan 0.000 0.464 452 Y N 0.027 120.335 120.300 0.013 0.000 2.314 452 Y HA 0.041 4.603 4.550 0.021 0.000 0.294 452 Y C 2.096 177.987 175.900 -0.016 0.000 1.119 452 Y CA 0.035 58.136 58.100 0.000 0.000 1.179 452 Y CB -0.534 37.917 38.460 -0.015 0.000 1.025 452 Y HN -0.028 nan 8.280 nan 0.000 0.541 453 L N -0.007 121.286 121.223 0.117 0.000 2.083 453 L HA -0.192 4.161 4.340 0.021 0.000 0.209 453 L C 2.589 179.462 176.870 0.005 0.000 1.083 453 L CA 1.958 56.819 54.840 0.035 0.000 0.752 453 L CB -1.148 40.921 42.059 0.017 0.000 0.899 453 L HN 0.308 nan 8.230 nan 0.000 0.433 454 S N -0.885 114.832 115.700 0.029 0.000 2.351 454 S HA -0.214 4.269 4.470 0.021 0.000 0.220 454 S C 2.081 176.694 174.600 0.021 0.000 1.035 454 S CA 1.925 60.141 58.200 0.027 0.000 1.031 454 S CB -1.578 61.648 63.200 0.043 0.000 0.928 454 S HN 0.338 nan 8.310 nan 0.000 0.433 455 V N 0.923 120.865 119.914 0.047 0.000 2.287 455 V HA -0.124 4.009 4.120 0.021 0.000 0.248 455 V C 2.427 178.533 176.094 0.020 0.000 1.053 455 V CA 1.815 64.146 62.300 0.050 0.000 1.027 455 V CB -1.605 30.279 31.823 0.101 0.000 0.646 455 V HN 0.414 nan 8.190 nan 0.000 0.447 456 V N 0.058 119.979 119.914 0.011 0.000 2.287 456 V HA -0.232 3.901 4.120 0.021 0.000 0.248 456 V C 2.671 178.698 176.094 -0.113 0.000 1.053 456 V CA 2.247 64.519 62.300 -0.047 0.000 1.027 456 V CB -0.861 30.922 31.823 -0.066 0.000 0.646 456 V HN 0.446 nan 8.190 nan 0.000 0.447 457 L N 0.187 121.321 121.223 -0.149 0.000 2.046 457 L HA -0.149 4.204 4.340 0.021 0.000 0.208 457 L C 2.189 178.992 176.870 -0.112 0.000 1.077 457 L CA 2.067 56.758 54.840 -0.248 0.000 0.747 457 L CB -1.573 40.329 42.059 -0.262 0.000 0.896 457 L HN 0.432 nan 8.230 nan 0.000 0.432 458 N N -0.919 117.762 118.700 -0.032 0.000 2.106 458 N HA -0.232 4.521 4.740 0.021 0.000 0.188 458 N C 1.914 177.427 175.510 0.004 0.000 1.029 458 N CA 1.102 54.158 53.050 0.010 0.000 0.848 458 N CB -0.072 38.425 38.487 0.018 0.000 1.007 458 N HN 0.405 nan 8.380 nan 0.000 0.423 459 Q N -0.039 119.756 119.800 -0.007 0.000 2.112 459 Q HA -0.206 4.146 4.340 0.021 0.000 0.206 459 Q C 1.897 177.896 176.000 -0.003 0.000 0.987 459 Q CA 1.474 57.276 55.803 -0.001 0.000 0.858 459 Q CB -0.236 28.499 28.738 -0.005 0.000 0.905 459 Q HN 0.465 nan 8.270 nan 0.000 0.420 460 L N 0.038 121.240 121.223 -0.034 0.000 2.291 460 L HA -0.041 4.312 4.340 0.021 0.000 0.214 460 L C 1.855 178.755 176.870 0.050 0.000 1.120 460 L CA 1.318 56.142 54.840 -0.027 0.000 0.799 460 L CB -0.502 41.482 42.059 -0.126 0.000 0.925 460 L HN 0.335 nan 8.230 nan 0.000 0.446 461 c N -2.129 116.507 118.600 0.060 0.000 2.505 461 c HA 0.027 4.610 4.570 0.021 0.000 0.279 461 c C 2.647 176.804 174.090 0.110 0.000 1.316 461 c CA 0.565 56.965 56.329 0.119 0.000 1.720 461 c CB -0.395 42.186 42.510 0.117 0.000 2.050 461 c HN 0.433 nan 8.230 nan 0.000 0.493 462 V N 1.489 121.440 119.914 0.063 0.000 2.282 462 V HA -0.273 3.860 4.120 0.021 0.000 0.249 462 V C 2.356 178.480 176.094 0.050 0.000 1.057 462 V CA 2.024 64.350 62.300 0.044 0.000 1.032 462 V CB -0.724 31.114 31.823 0.025 0.000 0.645 462 V HN 0.543 nan 8.190 nan 0.000 0.447 463 L N -0.846 120.409 121.223 0.054 0.000 2.017 463 L HA -0.219 4.134 4.340 0.021 0.000 0.208 463 L C 2.658 179.560 176.870 0.053 0.000 1.073 463 L CA 2.032 56.898 54.840 0.043 0.000 0.745 463 L CB -0.923 41.159 42.059 0.038 0.000 0.894 463 L HN 0.455 nan 8.230 nan 0.000 0.432 464 H N 0.035 119.117 119.070 0.021 0.000 2.456 464 H HA -0.201 4.369 4.556 0.023 0.000 0.296 464 H C 2.095 177.437 175.328 0.024 0.000 1.079 464 H CA 1.794 57.859 56.048 0.029 0.000 1.322 464 H CB 0.396 30.188 29.762 0.051 0.000 1.388 464 H HN 0.344 nan 8.280 nan 0.000 0.538 465 E N 1.479 121.744 120.200 0.107 0.000 2.072 465 E HA -0.144 4.219 4.350 0.021 0.000 0.191 465 E C 2.318 178.915 176.600 -0.004 0.000 0.985 465 E CA 1.844 58.281 56.400 0.061 0.000 0.801 465 E CB -0.100 29.633 29.700 0.056 0.000 0.750 465 E HN 0.649 nan 8.360 nan 0.000 0.452 466 K N -1.478 118.915 120.400 -0.012 0.000 2.243 466 K HA 0.068 4.400 4.320 0.021 0.000 0.201 466 K C 0.253 176.822 176.600 -0.052 0.000 1.051 466 K CA 1.334 57.606 56.287 -0.024 0.000 0.970 466 K CB 0.265 32.758 32.500 -0.012 0.000 0.755 466 K HN -0.078 nan 8.250 nan 0.000 0.465 467 T N 2.630 117.129 114.554 -0.091 0.000 3.624 467 T HA 0.297 4.660 4.350 0.021 0.000 0.244 467 T C -2.720 171.825 174.700 -0.259 0.000 1.063 467 T CA -1.352 60.675 62.100 -0.121 0.000 1.252 467 T CB 1.139 69.960 68.868 -0.079 0.000 1.021 467 T HN 0.042 nan 8.240 nan 0.000 0.590 468 P HA 0.098 nan 4.420 nan 0.000 0.268 468 P C 0.205 177.290 177.300 -0.359 0.000 1.189 468 P CA 0.257 63.042 63.100 -0.524 0.000 0.771 468 P CB 0.840 32.424 31.700 -0.194 0.000 0.822 469 V N -0.500 119.222 119.914 -0.320 0.000 5.258 469 V HA 0.064 4.197 4.120 0.021 0.000 0.122 469 V C 0.398 176.579 176.094 0.144 0.000 1.199 469 V CA 0.344 62.631 62.300 -0.020 0.000 1.018 469 V CB 0.087 31.919 31.823 0.015 0.000 1.289 469 V HN 0.475 nan 8.190 nan 0.000 0.656 470 S N 1.344 117.250 115.700 0.344 0.000 2.452 470 S HA 0.225 4.708 4.470 0.021 0.000 0.284 470 S C 0.743 175.462 174.600 0.199 0.000 1.171 470 S CA 0.097 58.435 58.200 0.230 0.000 1.064 470 S CB 1.147 64.445 63.200 0.164 0.000 0.967 470 S HN 0.649 nan 8.310 nan 0.000 0.484 471 D N 5.046 125.512 120.400 0.111 0.000 2.178 471 D HA -0.140 4.513 4.640 0.021 0.000 0.202 471 D C 1.702 177.992 176.300 -0.017 0.000 0.974 471 D CA 0.958 54.996 54.000 0.064 0.000 0.841 471 D CB -0.096 40.730 40.800 0.045 0.000 0.953 471 D HN 0.546 nan 8.370 nan 0.000 0.478 472 R N 0.484 120.967 120.500 -0.029 0.000 2.103 472 R HA -0.098 4.255 4.340 0.021 0.000 0.242 472 R C 2.313 178.508 176.300 -0.175 0.000 1.142 472 R CA 1.269 57.321 56.100 -0.080 0.000 0.960 472 R CB -0.655 29.616 30.300 -0.048 0.000 0.858 472 R HN 0.150 nan 8.270 nan 0.000 0.439 473 V N 0.456 120.247 119.914 -0.204 0.000 2.358 473 V HA -0.232 3.901 4.120 0.021 0.000 0.246 473 V C 2.075 177.949 176.094 -0.367 0.000 1.047 473 V CA 2.243 64.341 62.300 -0.338 0.000 1.035 473 V CB -0.555 30.952 31.823 -0.526 0.000 0.658 473 V HN 0.444 nan 8.190 nan 0.000 0.452 474 T N -0.034 114.344 114.554 -0.292 0.000 2.720 474 T HA -0.287 4.076 4.350 0.021 0.000 0.268 474 T C 1.944 176.586 174.700 -0.097 0.000 1.037 474 T CA 1.998 64.037 62.100 -0.102 0.000 1.144 474 T CB -0.258 68.643 68.868 0.055 0.000 0.864 474 T HN 0.380 nan 8.240 nan 0.000 0.444 475 K N 1.002 121.330 120.400 -0.119 0.000 2.009 475 K HA -0.077 4.256 4.320 0.021 0.000 0.210 475 K C 2.350 178.843 176.600 -0.179 0.000 1.049 475 K CA 1.647 57.865 56.287 -0.116 0.000 0.929 475 K CB -1.069 31.364 32.500 -0.112 0.000 0.714 475 K HN 0.382 nan 8.250 nan 0.000 0.440 476 c N -0.086 118.311 118.600 -0.338 0.000 2.429 476 c HA -0.105 4.478 4.570 0.021 0.000 0.277 476 c C 2.807 176.721 174.090 -0.293 0.000 1.262 476 c CA 0.867 56.871 56.329 -0.541 0.000 1.733 476 c CB -1.075 40.596 42.510 -1.398 0.000 2.010 476 c HN 0.658 nan 8.230 nan 0.000 0.483 477 c N 0.903 119.408 118.600 -0.158 0.000 2.437 477 c HA -0.040 4.543 4.570 0.021 0.000 0.283 477 c C 2.442 176.561 174.090 0.048 0.000 1.424 477 c CA 1.788 58.146 56.329 0.048 0.000 1.782 477 c CB -1.679 40.873 42.510 0.070 0.000 1.833 477 c HN 0.841 nan 8.230 nan 0.000 0.532 478 T N -2.761 111.797 114.554 0.007 0.000 3.085 478 T HA 0.152 4.515 4.350 0.021 0.000 0.264 478 T C 0.120 174.845 174.700 0.043 0.000 1.019 478 T CA 0.036 62.156 62.100 0.032 0.000 0.910 478 T CB 0.229 69.108 68.868 0.018 0.000 1.059 478 T HN 0.409 nan 8.240 nan 0.000 0.542 479 E N 2.919 123.131 120.200 0.021 0.000 2.816 479 E HA 0.398 4.761 4.350 0.021 0.000 0.260 479 E C 0.395 177.042 176.600 0.078 0.000 1.414 479 E CA -0.255 56.155 56.400 0.017 0.000 1.074 479 E CB 0.626 30.301 29.700 -0.041 0.000 1.123 479 E HN 0.413 nan 8.360 nan 0.000 0.664 480 S N 0.377 116.097 115.700 0.035 0.000 2.603 480 S HA 0.057 4.540 4.470 0.021 0.000 0.268 480 S C 1.517 176.064 174.600 -0.089 0.000 1.317 480 S CA -0.190 58.011 58.200 0.002 0.000 1.012 480 S CB 0.609 63.780 63.200 -0.048 0.000 0.926 480 S HN 0.696 nan 8.310 nan 0.000 0.539 481 L N 1.883 122.855 121.223 -0.418 0.000 2.051 481 L HA -0.072 4.281 4.340 0.021 0.000 0.214 481 L C 2.059 178.793 176.870 -0.227 0.000 1.076 481 L CA 1.846 56.333 54.840 -0.590 0.000 0.758 481 L CB -0.486 40.760 42.059 -1.354 0.000 0.890 481 L HN 0.646 nan 8.230 nan 0.000 0.433 482 V N 0.187 119.986 119.914 -0.192 0.000 3.306 482 V HA -0.049 4.084 4.120 0.021 0.000 0.264 482 V C 1.539 177.596 176.094 -0.062 0.000 1.149 482 V CA 1.185 63.422 62.300 -0.105 0.000 1.143 482 V CB -0.467 31.293 31.823 -0.106 0.000 0.767 482 V HN 0.571 nan 8.190 nan 0.000 0.476 483 N N -0.391 118.279 118.700 -0.049 0.000 2.220 483 N HA 0.083 4.836 4.740 0.021 0.000 0.195 483 N C 1.651 177.161 175.510 0.001 0.000 1.123 483 N CA 0.095 53.129 53.050 -0.027 0.000 0.874 483 N CB 0.012 38.478 38.487 -0.035 0.000 0.995 483 N HN 0.421 nan 8.380 nan 0.000 0.498 484 R N 1.565 122.087 120.500 0.037 0.000 2.122 484 R HA -0.129 4.224 4.340 0.021 0.000 0.236 484 R C 2.156 178.586 176.300 0.217 0.000 1.129 484 R CA 1.575 57.747 56.100 0.119 0.000 0.925 484 R CB -0.015 30.403 30.300 0.197 0.000 0.850 484 R HN -0.021 nan 8.270 nan 0.000 0.431 485 R N 0.154 120.771 120.500 0.196 0.000 2.080 485 R HA -0.084 4.269 4.340 0.021 0.000 0.236 485 R C -0.751 175.645 176.300 0.161 0.000 1.137 485 R CA 2.046 58.273 56.100 0.212 0.000 0.943 485 R CB -1.561 28.801 30.300 0.104 0.000 0.846 485 R HN 0.297 nan 8.270 nan 0.000 0.431 486 P HA -0.157 nan 4.420 nan 0.000 0.216 486 P C 1.725 179.043 177.300 0.030 0.000 1.153 486 P CA 1.186 64.309 63.100 0.038 0.000 0.858 486 P CB -0.323 31.377 31.700 0.001 0.000 0.789 487 c N -1.559 117.033 118.600 -0.013 0.000 2.388 487 c HA -0.219 4.363 4.570 0.021 0.000 0.277 487 c C 2.420 176.442 174.090 -0.114 0.000 1.210 487 c CA 1.020 57.280 56.329 -0.114 0.000 1.743 487 c CB -2.056 40.309 42.510 -0.241 0.000 2.047 487 c HN 0.071 nan 8.230 nan 0.000 0.458 488 F N 1.404 121.354 119.950 -0.000 0.000 2.095 488 F HA -0.121 4.417 4.527 0.019 0.000 0.298 488 F C 2.840 178.662 175.800 0.037 0.000 1.104 488 F CA 2.151 60.156 58.000 0.009 0.000 1.232 488 F CB -0.953 38.047 39.000 -0.001 0.000 0.987 488 F HN 0.131 nan 8.300 nan 0.000 0.475 489 S N -0.762 115.073 115.700 0.226 0.000 2.537 489 S HA -0.022 4.461 4.470 0.021 0.000 0.240 489 S C 1.824 176.477 174.600 0.089 0.000 0.981 489 S CA 0.730 59.019 58.200 0.148 0.000 0.948 489 S CB -0.454 62.809 63.200 0.106 0.000 0.759 489 S HN 0.356 nan 8.310 nan 0.000 0.531 490 A N 0.211 123.068 122.820 0.062 0.000 2.390 490 A HA 0.418 4.751 4.320 0.021 0.000 0.232 490 A C 0.508 178.105 177.584 0.022 0.000 1.233 490 A CA -0.325 51.728 52.037 0.027 0.000 0.907 490 A CB 0.073 19.075 19.000 0.002 0.000 0.967 490 A HN 0.372 nan 8.150 nan 0.000 0.512 491 L N 1.706 122.954 121.223 0.042 0.000 2.513 491 L HA 0.080 4.433 4.340 0.021 0.000 0.272 491 L C 0.250 177.141 176.870 0.035 0.000 1.187 491 L CA 0.270 55.133 54.840 0.037 0.000 0.895 491 L CB 0.363 42.469 42.059 0.078 0.000 1.147 491 L HN 0.405 nan 8.230 nan 0.000 0.483 492 E N 1.861 122.072 120.200 0.018 0.000 2.250 492 E HA 0.316 4.678 4.350 0.021 0.000 0.265 492 E C -0.683 175.923 176.600 0.010 0.000 1.033 492 E CA -1.013 55.393 56.400 0.011 0.000 0.888 492 E CB 1.953 31.657 29.700 0.007 0.000 1.151 492 E HN 0.243 nan 8.360 nan 0.000 0.412 493 V N 2.375 122.290 119.914 0.000 0.000 2.644 493 V HA -0.120 4.013 4.120 0.021 0.000 0.305 493 V C 0.499 176.598 176.094 0.009 0.000 1.053 493 V CA 0.624 62.921 62.300 -0.004 0.000 1.186 493 V CB 0.278 32.095 31.823 -0.010 0.000 0.895 493 V HN 0.673 nan 8.190 nan 0.000 0.490 494 D N 4.388 124.793 120.400 0.009 0.000 2.389 494 D HA 0.075 4.727 4.640 0.021 0.000 0.247 494 D C 0.443 176.778 176.300 0.058 0.000 1.128 494 D CA -0.213 53.808 54.000 0.035 0.000 0.884 494 D CB 1.163 41.986 40.800 0.037 0.000 1.194 494 D HN 0.628 nan 8.370 nan 0.000 0.441 495 E N 2.135 122.374 120.200 0.065 0.000 2.562 495 E HA 0.050 4.413 4.350 0.021 0.000 0.214 495 E C 0.633 177.280 176.600 0.078 0.000 0.979 495 E CA 0.089 56.528 56.400 0.066 0.000 1.002 495 E CB 0.873 30.597 29.700 0.040 0.000 1.048 495 E HN 0.410 nan 8.360 nan 0.000 0.488 496 T N 0.324 114.937 114.554 0.098 0.000 3.086 496 T HA 0.030 4.393 4.350 0.021 0.000 0.250 496 T C 0.206 174.977 174.700 0.117 0.000 1.074 496 T CA -0.211 61.940 62.100 0.085 0.000 0.988 496 T CB -0.149 68.763 68.868 0.072 0.000 0.988 496 T HN 0.094 nan 8.240 nan 0.000 0.530 497 Y N 2.845 123.158 120.300 0.020 0.000 2.526 497 Y HA 0.239 4.802 4.550 0.022 0.000 0.330 497 Y C -0.035 175.879 175.900 0.024 0.000 1.156 497 Y CA -0.886 57.229 58.100 0.025 0.000 1.419 497 Y CB 0.407 38.885 38.460 0.029 0.000 1.250 497 Y HN -0.125 nan 8.280 nan 0.000 0.540 498 V N 9.224 128.764 119.914 -0.623 0.000 2.304 498 V HA 0.206 4.339 4.120 0.021 0.000 0.262 498 V C -2.022 173.700 176.094 -0.620 0.000 1.061 498 V CA -2.045 59.991 62.300 -0.439 0.000 0.872 498 V CB 0.125 31.769 31.823 -0.299 0.000 1.077 498 V HN 0.723 nan 8.190 nan 0.000 0.480 499 P HA -0.093 nan 4.420 nan 0.000 0.259 499 P C -0.006 177.299 177.300 0.007 0.000 1.155 499 P CA 0.200 63.280 63.100 -0.033 0.000 0.759 499 P CB 0.517 32.223 31.700 0.010 0.000 0.753 500 K N 3.429 123.915 120.400 0.143 0.000 2.524 500 K HA -0.056 4.276 4.320 0.021 0.000 0.279 500 K C 1.046 177.796 176.600 0.251 0.000 0.993 500 K CA 0.405 56.787 56.287 0.159 0.000 1.030 500 K CB 0.206 32.825 32.500 0.197 0.000 0.891 500 K HN 0.595 nan 8.250 nan 0.000 0.488 501 E N 2.736 123.013 120.200 0.128 0.000 2.608 501 E HA -0.133 4.230 4.350 0.021 0.000 0.259 501 E C -0.019 176.628 176.600 0.078 0.000 0.951 501 E CA -0.065 56.412 56.400 0.129 0.000 0.945 501 E CB 0.030 29.762 29.700 0.052 0.000 0.916 501 E HN 0.336 nan 8.360 nan 0.000 0.477 502 F N 3.299 123.232 119.950 -0.028 0.000 2.586 502 F HA 0.082 4.622 4.527 0.021 0.000 0.344 502 F C 0.289 175.995 175.800 -0.157 0.000 1.188 502 F CA 0.438 58.256 58.000 -0.303 0.000 1.359 502 F CB 0.655 39.555 39.000 -0.167 0.000 1.129 502 F HN 0.648 nan 8.300 nan 0.000 0.609 503 N N 3.060 120.726 118.700 -1.723 0.000 3.193 503 N HA 0.121 4.873 4.740 0.021 0.000 0.234 503 N C -0.346 174.434 175.510 -1.217 0.000 1.267 503 N CA 0.318 52.691 53.050 -1.129 0.000 0.875 503 N CB 1.236 39.385 38.487 -0.563 0.000 1.592 503 N HN 0.820 nan 8.380 nan 0.000 0.648 504 A N 2.100 124.378 122.820 -0.903 0.000 2.125 504 A HA -0.149 4.184 4.320 0.021 0.000 0.219 504 A C 1.731 179.203 177.584 -0.186 0.000 1.156 504 A CA 1.714 53.636 52.037 -0.191 0.000 0.671 504 A CB -0.156 18.977 19.000 0.220 0.000 0.794 504 A HN 0.728 nan 8.150 nan 0.000 0.459 505 E N 0.141 120.185 120.200 -0.260 0.000 2.072 505 E HA -0.112 4.250 4.350 0.021 0.000 0.191 505 E C 1.784 178.213 176.600 -0.285 0.000 0.985 505 E CA 1.994 58.268 56.400 -0.209 0.000 0.801 505 E CB -0.818 28.784 29.700 -0.163 0.000 0.750 505 E HN 0.422 nan 8.360 nan 0.000 0.452 506 T N -0.144 114.120 114.554 -0.482 0.000 2.946 506 T HA -0.109 4.253 4.350 0.021 0.000 0.271 506 T C 0.393 174.670 174.700 -0.704 0.000 1.104 506 T CA 1.173 62.887 62.100 -0.643 0.000 1.114 506 T CB -0.288 68.018 68.868 -0.937 0.000 0.867 506 T HN 0.160 nan 8.240 nan 0.000 0.513 507 F N 0.427 120.261 119.950 -0.193 0.000 2.706 507 F HA 0.271 4.810 4.527 0.021 0.000 0.313 507 F C 0.968 176.533 175.800 -0.392 0.000 1.096 507 F CA -0.739 57.168 58.000 -0.154 0.000 1.219 507 F CB -0.339 38.595 39.000 -0.109 0.000 1.051 507 F HN -0.181 nan 8.300 nan 0.000 0.568 508 T N 4.004 118.387 114.554 -0.285 0.000 2.799 508 T HA 0.328 4.690 4.350 0.021 0.000 0.296 508 T C -0.320 174.079 174.700 -0.501 0.000 0.947 508 T CA 0.142 61.928 62.100 -0.524 0.000 1.141 508 T CB -0.111 68.595 68.868 -0.269 0.000 0.891 508 T HN 0.015 nan 8.240 nan 0.000 0.533 509 F N 0.757 120.608 119.950 -0.164 0.000 2.613 509 F HA 0.872 5.412 4.527 0.021 0.000 0.342 509 F C 0.142 175.508 175.800 -0.723 0.000 1.066 509 F CA -1.637 56.214 58.000 -0.248 0.000 1.002 509 F CB 0.929 40.019 39.000 0.150 0.000 1.319 509 F HN 0.522 nan 8.300 nan 0.000 0.495 510 H N -1.780 117.319 119.070 0.048 0.000 2.947 510 H HA 0.678 5.246 4.556 0.021 0.000 0.290 510 H C 0.164 174.882 175.328 -1.018 0.000 1.430 510 H CA -0.543 55.370 56.048 -0.225 0.000 1.189 510 H CB 1.236 30.956 29.762 -0.070 0.000 1.875 510 H HN 0.693 nan 8.280 nan 0.000 0.568 511 A N 0.187 122.701 122.820 -0.511 0.000 2.123 511 A HA -0.102 4.231 4.320 0.021 0.000 0.214 511 A C 1.432 178.886 177.584 -0.217 0.000 1.152 511 A CA 1.115 52.871 52.037 -0.467 0.000 0.728 511 A CB -0.607 18.488 19.000 0.158 0.000 0.814 511 A HN 0.802 nan 8.150 nan 0.000 0.464 512 D N 1.045 121.367 120.400 -0.129 0.000 2.354 512 D HA -0.189 4.463 4.640 0.021 0.000 0.216 512 D C 1.300 177.560 176.300 -0.067 0.000 0.970 512 D CA 1.481 55.442 54.000 -0.065 0.000 0.905 512 D CB -0.473 40.299 40.800 -0.047 0.000 0.903 512 D HN 0.637 nan 8.370 nan 0.000 0.508 513 I N -2.227 118.265 120.570 -0.131 0.000 3.427 513 I HA 0.106 4.289 4.170 0.021 0.000 0.288 513 I C 1.802 177.893 176.117 -0.044 0.000 1.249 513 I CA -0.324 60.931 61.300 -0.074 0.000 1.421 513 I CB -0.520 37.442 38.000 -0.064 0.000 1.086 513 I HN -0.131 nan 8.210 nan 0.000 0.448 514 c N 0.341 118.914 118.600 -0.044 0.000 2.472 514 c HA 0.070 4.652 4.570 0.021 0.000 0.278 514 c C 1.684 175.779 174.090 0.007 0.000 1.447 514 c CA 1.013 57.354 56.329 0.021 0.000 1.773 514 c CB -1.616 40.941 42.510 0.078 0.000 1.793 514 c HN 0.670 nan 8.230 nan 0.000 0.544 515 T N 1.285 115.836 114.554 -0.005 0.000 3.427 515 T HA 0.607 4.970 4.350 0.021 0.000 0.306 515 T C -0.741 173.957 174.700 -0.004 0.000 1.733 515 T CA -0.037 62.061 62.100 -0.002 0.000 1.599 515 T CB -0.610 68.257 68.868 -0.001 0.000 0.964 515 T HN 0.296 nan 8.240 nan 0.000 0.701 516 L N 1.972 123.194 121.223 -0.002 0.000 2.506 516 L HA 0.539 4.892 4.340 0.021 0.000 0.257 516 L C 0.458 177.327 176.870 -0.002 0.000 0.964 516 L CA -1.114 53.727 54.840 0.001 0.000 0.836 516 L CB 2.526 44.590 42.059 0.008 0.000 1.384 516 L HN 0.477 nan 8.230 nan 0.000 0.410 517 S N 0.239 115.938 115.700 -0.001 0.000 2.606 517 S HA 0.175 4.658 4.470 0.021 0.000 0.257 517 S C 0.870 175.462 174.600 -0.014 0.000 1.327 517 S CA -0.469 57.726 58.200 -0.008 0.000 0.984 517 S CB 1.065 64.263 63.200 -0.004 0.000 0.941 517 S HN 0.644 nan 8.310 nan 0.000 0.576 518 E N 1.882 122.066 120.200 -0.027 0.000 2.026 518 E HA -0.247 4.116 4.350 0.021 0.000 0.206 518 E C 2.076 178.660 176.600 -0.026 0.000 1.028 518 E CA 2.142 58.513 56.400 -0.049 0.000 0.845 518 E CB -0.813 28.852 29.700 -0.057 0.000 0.772 518 E HN 0.931 nan 8.360 nan 0.000 0.462 519 K N 0.729 121.126 120.400 -0.005 0.000 2.318 519 K HA -0.219 4.114 4.320 0.021 0.000 0.204 519 K C 1.649 178.265 176.600 0.027 0.000 1.044 519 K CA 1.590 57.888 56.287 0.018 0.000 0.932 519 K CB -0.065 32.446 32.500 0.018 0.000 0.734 519 K HN 0.031 nan 8.250 nan 0.000 0.473 520 E N 1.476 121.687 120.200 0.018 0.000 2.022 520 E HA -0.016 4.347 4.350 0.021 0.000 0.190 520 E C 2.177 178.802 176.600 0.041 0.000 0.973 520 E CA 0.695 57.112 56.400 0.028 0.000 0.816 520 E CB -0.418 29.294 29.700 0.020 0.000 0.781 520 E HN 0.305 nan 8.360 nan 0.000 0.456 521 R N 1.034 121.551 120.500 0.029 0.000 2.133 521 R HA -0.239 4.114 4.340 0.021 0.000 0.245 521 R C 2.572 178.918 176.300 0.077 0.000 1.137 521 R CA 2.200 58.328 56.100 0.046 0.000 0.947 521 R CB -0.418 29.886 30.300 0.007 0.000 0.865 521 R HN 0.293 nan 8.270 nan 0.000 0.437 522 Q N 0.297 120.122 119.800 0.043 0.000 1.956 522 Q HA -0.186 4.167 4.340 0.021 0.000 0.208 522 Q C 2.137 178.246 176.000 0.182 0.000 0.998 522 Q CA 1.881 57.764 55.803 0.134 0.000 0.855 522 Q CB -0.294 28.505 28.738 0.102 0.000 0.928 522 Q HN 0.406 nan 8.270 nan 0.000 0.418 523 I N 0.662 121.306 120.570 0.123 0.000 2.908 523 I HA -0.276 3.906 4.170 0.021 0.000 0.271 523 I C 1.962 178.134 176.117 0.091 0.000 1.275 523 I CA 1.021 62.380 61.300 0.098 0.000 1.446 523 I CB -0.277 37.764 38.000 0.068 0.000 1.092 523 I HN 0.199 nan 8.210 nan 0.000 0.482 524 K N 0.693 121.160 120.400 0.110 0.000 2.262 524 K HA 0.063 4.396 4.320 0.021 0.000 0.200 524 K C 1.925 178.607 176.600 0.136 0.000 1.058 524 K CA 0.266 56.622 56.287 0.115 0.000 0.974 524 K CB 0.181 32.758 32.500 0.127 0.000 0.910 524 K HN 0.181 nan 8.250 nan 0.000 0.484 525 K N 1.265 121.773 120.400 0.180 0.000 2.209 525 K HA -0.127 4.206 4.320 0.021 0.000 0.204 525 K C 2.031 178.685 176.600 0.089 0.000 1.048 525 K CA 1.207 57.602 56.287 0.180 0.000 0.940 525 K CB 0.077 32.756 32.500 0.299 0.000 0.729 525 K HN 0.176 nan 8.250 nan 0.000 0.451 526 Q N -0.368 119.500 119.800 0.112 0.000 2.212 526 Q HA -0.028 4.325 4.340 0.021 0.000 0.199 526 Q C 1.751 177.770 176.000 0.032 0.000 0.950 526 Q CA 1.136 56.974 55.803 0.058 0.000 0.863 526 Q CB 0.265 29.046 28.738 0.072 0.000 0.944 526 Q HN 0.233 nan 8.270 nan 0.000 0.465 527 T N 0.745 115.323 114.554 0.040 0.000 2.904 527 T HA -0.058 4.305 4.350 0.021 0.000 0.267 527 T C 1.842 176.552 174.700 0.016 0.000 1.059 527 T CA 1.059 63.171 62.100 0.021 0.000 1.137 527 T CB -0.062 68.816 68.868 0.016 0.000 0.879 527 T HN 0.333 nan 8.240 nan 0.000 0.467 528 A N 1.450 124.286 122.820 0.027 0.000 1.897 528 A HA 0.091 4.424 4.320 0.021 0.000 0.215 528 A C 2.178 179.821 177.584 0.098 0.000 1.181 528 A CA 0.901 52.987 52.037 0.081 0.000 0.620 528 A CB -0.762 18.255 19.000 0.028 0.000 0.821 528 A HN 0.394 nan 8.150 nan 0.000 0.443 529 L N 0.221 121.441 121.223 -0.005 0.000 2.043 529 L HA -0.143 4.210 4.340 0.021 0.000 0.212 529 L C 2.310 179.197 176.870 0.028 0.000 1.075 529 L CA 2.064 56.895 54.840 -0.015 0.000 0.752 529 L CB -0.693 41.342 42.059 -0.039 0.000 0.891 529 L HN 0.150 nan 8.230 nan 0.000 0.432 530 V N -0.302 119.631 119.914 0.031 0.000 2.307 530 V HA -0.201 3.932 4.120 0.021 0.000 0.245 530 V C 2.659 178.797 176.094 0.072 0.000 1.045 530 V CA 1.766 64.085 62.300 0.032 0.000 1.024 530 V CB -0.654 31.180 31.823 0.018 0.000 0.651 530 V HN 0.441 nan 8.190 nan 0.000 0.449 531 E N -0.113 120.144 120.200 0.095 0.000 2.153 531 E HA -0.215 4.148 4.350 0.021 0.000 0.194 531 E C 2.081 178.884 176.600 0.338 0.000 0.988 531 E CA 1.047 57.528 56.400 0.135 0.000 0.811 531 E CB -0.407 29.267 29.700 -0.043 0.000 0.746 531 E HN 0.450 nan 8.360 nan 0.000 0.466 532 L N 0.439 121.876 121.223 0.356 0.000 2.131 532 L HA -0.124 4.229 4.340 0.021 0.000 0.210 532 L C 2.164 179.138 176.870 0.173 0.000 1.092 532 L CA 1.176 56.167 54.840 0.252 0.000 0.759 532 L CB -0.259 41.833 42.059 0.055 0.000 0.903 532 L HN -0.108 nan 8.230 nan 0.000 0.435 533 V N -0.607 119.380 119.914 0.120 0.000 2.488 533 V HA -0.200 3.933 4.120 0.021 0.000 0.246 533 V C 2.410 178.573 176.094 0.116 0.000 1.046 533 V CA 1.606 63.951 62.300 0.075 0.000 1.053 533 V CB -0.608 31.226 31.823 0.019 0.000 0.679 533 V HN 0.425 nan 8.190 nan 0.000 0.458 534 K N -0.576 119.919 120.400 0.159 0.000 2.365 534 K HA -0.157 4.176 4.320 0.021 0.000 0.199 534 K C 2.051 178.884 176.600 0.388 0.000 1.045 534 K CA 1.135 57.574 56.287 0.254 0.000 0.962 534 K CB -0.132 32.502 32.500 0.223 0.000 0.759 534 K HN 0.528 nan 8.250 nan 0.000 0.469 535 H N 0.602 119.811 119.070 0.232 0.000 2.520 535 H HA 0.183 4.752 4.556 0.021 0.000 0.279 535 H C -0.153 175.280 175.328 0.176 0.000 0.990 535 H CA 0.827 57.011 56.048 0.228 0.000 1.288 535 H CB 0.611 30.558 29.762 0.307 0.000 1.446 535 H HN -0.176 nan 8.280 nan 0.000 0.538 536 K N 0.913 121.339 120.400 0.043 0.000 3.262 536 K HA 0.148 4.481 4.320 0.021 0.000 0.166 536 K C -2.392 174.223 176.600 0.024 0.000 1.091 536 K CA -1.107 55.151 56.287 -0.048 0.000 0.798 536 K CB 1.954 34.400 32.500 -0.090 0.000 0.953 536 K HN 0.171 nan 8.250 nan 0.000 0.588 537 P HA -0.183 nan 4.420 nan 0.000 0.225 537 P C 0.339 177.656 177.300 0.027 0.000 1.148 537 P CA 0.865 63.999 63.100 0.056 0.000 0.779 537 P CB 0.313 32.078 31.700 0.108 0.000 0.780 538 K N -0.171 120.242 120.400 0.021 0.000 2.551 538 K HA 0.197 4.530 4.320 0.021 0.000 0.192 538 K C 1.141 177.738 176.600 -0.005 0.000 1.027 538 K CA -0.049 56.242 56.287 0.006 0.000 1.059 538 K CB -0.410 32.090 32.500 0.000 0.000 0.831 538 K HN 0.133 nan 8.250 nan 0.000 0.508 539 A N 0.858 123.674 122.820 -0.007 0.000 2.304 539 A HA 0.296 4.629 4.320 0.021 0.000 0.271 539 A C 0.376 177.952 177.584 -0.013 0.000 1.091 539 A CA -0.114 51.915 52.037 -0.012 0.000 0.812 539 A CB 0.591 19.583 19.000 -0.013 0.000 1.056 539 A HN 0.129 nan 8.150 nan 0.000 0.489 540 T N -0.810 113.735 114.554 -0.014 0.000 2.923 540 T HA 0.310 4.673 4.350 0.021 0.000 0.281 540 T C 1.265 175.955 174.700 -0.016 0.000 0.995 540 T CA -0.530 61.561 62.100 -0.014 0.000 0.985 540 T CB 0.741 69.603 68.868 -0.011 0.000 1.114 540 T HN 0.612 nan 8.240 nan 0.000 0.548 541 K N 0.502 120.892 120.400 -0.017 0.000 2.148 541 K HA -0.055 4.278 4.320 0.021 0.000 0.204 541 K C 2.026 178.619 176.600 -0.011 0.000 1.050 541 K CA 1.318 57.594 56.287 -0.018 0.000 0.942 541 K CB 0.066 32.555 32.500 -0.018 0.000 0.724 541 K HN 0.610 nan 8.250 nan 0.000 0.446 542 E N 0.938 121.133 120.200 -0.007 0.000 2.072 542 E HA -0.205 4.158 4.350 0.021 0.000 0.191 542 E C 2.146 178.744 176.600 -0.003 0.000 0.985 542 E CA 1.047 57.445 56.400 -0.003 0.000 0.801 542 E CB 0.008 29.707 29.700 -0.003 0.000 0.750 542 E HN 0.359 nan 8.360 nan 0.000 0.452 543 Q N 0.314 120.110 119.800 -0.007 0.000 1.993 543 Q HA -0.172 4.181 4.340 0.021 0.000 0.202 543 Q C 2.216 178.211 176.000 -0.008 0.000 0.984 543 Q CA 1.116 56.914 55.803 -0.008 0.000 0.837 543 Q CB -0.098 28.633 28.738 -0.012 0.000 0.902 543 Q HN 0.151 nan 8.270 nan 0.000 0.423 544 L N 0.978 122.194 121.223 -0.012 0.000 2.141 544 L HA -0.137 4.215 4.340 0.021 0.000 0.209 544 L C 2.130 178.997 176.870 -0.005 0.000 1.094 544 L CA 1.632 56.464 54.840 -0.014 0.000 0.763 544 L CB -0.533 41.513 42.059 -0.022 0.000 0.908 544 L HN 0.117 nan 8.230 nan 0.000 0.437 545 K N -0.745 119.654 120.400 -0.002 0.000 2.439 545 K HA -0.047 4.286 4.320 0.021 0.000 0.197 545 K C 1.825 178.437 176.600 0.020 0.000 1.041 545 K CA 0.832 57.124 56.287 0.008 0.000 0.970 545 K CB 0.185 32.688 32.500 0.005 0.000 0.773 545 K HN 0.293 nan 8.250 nan 0.000 0.479 546 A N 0.051 122.881 122.820 0.016 0.000 1.884 546 A HA 0.007 4.340 4.320 0.021 0.000 0.212 546 A C 1.995 179.600 177.584 0.034 0.000 1.265 546 A CA 0.601 52.652 52.037 0.023 0.000 0.626 546 A CB -0.433 18.575 19.000 0.013 0.000 0.943 546 A HN 0.082 nan 8.150 nan 0.000 0.466 547 V N 0.575 120.502 119.914 0.023 0.000 2.568 547 V HA -0.309 3.823 4.120 0.021 0.000 0.253 547 V C 2.508 178.645 176.094 0.072 0.000 1.072 547 V CA 2.083 64.401 62.300 0.030 0.000 1.084 547 V CB -0.950 30.868 31.823 -0.009 0.000 0.676 547 V HN 0.525 nan 8.190 nan 0.000 0.469 548 M N -0.328 119.308 119.600 0.059 0.000 2.460 548 M HA -0.127 4.366 4.480 0.021 0.000 0.263 548 M C 1.476 177.872 176.300 0.161 0.000 1.071 548 M CA 1.316 56.672 55.300 0.094 0.000 1.096 548 M CB -0.302 32.330 32.600 0.054 0.000 1.408 548 M HN 0.395 nan 8.290 nan 0.000 0.463 549 D N -0.048 120.425 120.400 0.123 0.000 2.369 549 D HA -0.045 4.608 4.640 0.021 0.000 0.231 549 D C 1.232 177.607 176.300 0.125 0.000 0.967 549 D CA 0.923 54.992 54.000 0.117 0.000 0.905 549 D CB -0.358 40.486 40.800 0.074 0.000 1.044 549 D HN 0.175 nan 8.370 nan 0.000 0.487 550 D N -0.297 120.167 120.400 0.107 0.000 2.265 550 D HA -0.113 4.539 4.640 0.021 0.000 0.208 550 D C 1.340 177.708 176.300 0.113 0.000 0.977 550 D CA 0.556 54.609 54.000 0.089 0.000 0.871 550 D CB -0.015 40.816 40.800 0.052 0.000 0.925 550 D HN 0.150 nan 8.370 nan 0.000 0.485 551 F N 0.520 120.471 119.950 0.002 0.000 2.222 551 F HA 0.212 4.752 4.527 0.022 0.000 0.285 551 F C 2.146 178.045 175.800 0.164 0.000 1.068 551 F CA 0.835 58.825 58.000 -0.016 0.000 1.265 551 F CB -0.467 38.518 39.000 -0.024 0.000 1.087 551 F HN -0.071 nan 8.300 nan 0.000 0.511 552 A N 1.138 124.147 122.820 0.315 0.000 1.842 552 A HA -0.196 4.137 4.320 0.021 0.000 0.217 552 A C 2.276 179.891 177.584 0.053 0.000 1.206 552 A CA 2.317 54.471 52.037 0.194 0.000 0.630 552 A CB -1.782 17.349 19.000 0.219 0.000 0.839 552 A HN 0.557 nan 8.150 nan 0.000 0.447 553 A N -1.669 121.190 122.820 0.064 0.000 2.259 553 A HA 0.099 4.432 4.320 0.021 0.000 0.212 553 A C 1.759 179.329 177.584 -0.022 0.000 1.178 553 A CA 1.404 53.448 52.037 0.013 0.000 0.734 553 A CB -0.791 18.224 19.000 0.026 0.000 0.774 553 A HN 0.939 nan 8.150 nan 0.000 0.481 554 F N -0.552 119.275 119.950 -0.205 0.000 2.262 554 F HA 0.009 4.549 4.527 0.021 0.000 0.292 554 F C 1.799 177.370 175.800 -0.382 0.000 1.081 554 F CA 1.331 59.160 58.000 -0.285 0.000 1.355 554 F CB -0.268 38.532 39.000 -0.333 0.000 1.069 554 F HN -0.032 nan 8.300 nan 0.000 0.506 555 V N 1.966 121.529 119.914 -0.584 0.000 2.427 555 V HA -0.267 3.866 4.120 0.021 0.000 0.248 555 V C 2.380 178.230 176.094 -0.408 0.000 1.051 555 V CA 2.109 64.053 62.300 -0.594 0.000 1.048 555 V CB -1.054 30.655 31.823 -0.190 0.000 0.666 555 V HN 0.536 nan 8.190 nan 0.000 0.456 556 E N 1.144 121.187 120.200 -0.260 0.000 2.338 556 E HA -0.235 4.128 4.350 0.021 0.000 0.197 556 E C 1.808 178.265 176.600 -0.238 0.000 1.007 556 E CA 1.341 57.635 56.400 -0.178 0.000 0.849 556 E CB -0.343 29.295 29.700 -0.103 0.000 0.774 556 E HN 0.466 nan 8.360 nan 0.000 0.506 557 K N -0.107 120.076 120.400 -0.362 0.000 2.361 557 K HA 0.167 4.500 4.320 0.021 0.000 0.196 557 K C 0.962 177.281 176.600 -0.470 0.000 1.039 557 K CA 0.641 56.718 56.287 -0.350 0.000 1.001 557 K CB -0.391 31.917 32.500 -0.319 0.000 0.795 557 K HN 0.271 nan 8.250 nan 0.000 0.495 558 c N -0.538 117.625 118.600 -0.728 0.000 2.780 558 c HA 0.218 4.801 4.570 0.021 0.000 0.267 558 c C 1.649 175.486 174.090 -0.422 0.000 1.266 558 c CA -0.269 55.529 56.329 -0.885 0.000 1.709 558 c CB -0.756 40.432 42.510 -2.204 0.000 1.975 558 c HN 0.572 nan 8.230 nan 0.000 0.582 559 c N 0.224 118.681 118.600 -0.240 0.000 2.791 559 c HA 0.099 4.682 4.570 0.021 0.000 0.270 559 c C 1.997 176.039 174.090 -0.079 0.000 1.257 559 c CA 0.263 56.560 56.329 -0.054 0.000 1.699 559 c CB -1.337 41.168 42.510 -0.007 0.000 1.904 559 c HN 0.632 nan 8.230 nan 0.000 0.603 560 K N 0.894 121.214 120.400 -0.133 0.000 2.414 560 K HA 0.415 4.748 4.320 0.021 0.000 0.204 560 K C 0.264 176.802 176.600 -0.103 0.000 1.026 560 K CA 0.048 56.273 56.287 -0.103 0.000 1.108 560 K CB 0.295 32.729 32.500 -0.109 0.000 0.855 560 K HN 0.360 nan 8.250 nan 0.000 0.517 561 A N 0.718 123.466 122.820 -0.120 0.000 2.325 561 A HA 0.177 4.510 4.320 0.021 0.000 0.333 561 A C 0.484 178.033 177.584 -0.058 0.000 1.155 561 A CA -0.628 51.348 52.037 -0.101 0.000 0.814 561 A CB 1.050 19.963 19.000 -0.145 0.000 1.206 561 A HN 0.272 nan 8.150 nan 0.000 0.482 562 D N 0.654 121.029 120.400 -0.041 0.000 2.106 562 D HA -0.169 4.484 4.640 0.021 0.000 0.191 562 D C 0.375 176.670 176.300 -0.009 0.000 0.997 562 D CA 1.809 55.796 54.000 -0.021 0.000 0.834 562 D CB 0.170 40.961 40.800 -0.016 0.000 0.956 562 D HN 0.723 nan 8.370 nan 0.000 0.448 563 D N -1.823 118.571 120.400 -0.010 0.000 2.466 563 D HA 0.239 4.892 4.640 0.021 0.000 0.262 563 D C 0.855 177.164 176.300 0.015 0.000 1.177 563 D CA -0.220 53.787 54.000 0.012 0.000 1.035 563 D CB 1.217 42.026 40.800 0.016 0.000 1.105 563 D HN -0.094 nan 8.370 nan 0.000 0.551 564 K N -0.762 119.680 120.400 0.069 0.000 2.890 564 K HA 0.075 4.408 4.320 0.021 0.000 0.202 564 K C 1.621 178.370 176.600 0.248 0.000 1.592 564 K CA -0.443 55.932 56.287 0.146 0.000 1.197 564 K CB 0.085 32.732 32.500 0.245 0.000 1.913 564 K HN 0.152 nan 8.250 nan 0.000 0.550 565 E N 1.347 121.685 120.200 0.230 0.000 2.113 565 E HA -0.231 4.131 4.350 0.021 0.000 0.210 565 E C 1.890 178.625 176.600 0.225 0.000 1.040 565 E CA 2.178 58.725 56.400 0.244 0.000 0.847 565 E CB -0.602 29.195 29.700 0.162 0.000 0.755 565 E HN 0.299 nan 8.360 nan 0.000 0.459 566 T N 0.984 115.623 114.554 0.142 0.000 2.701 566 T HA -0.179 4.184 4.350 0.021 0.000 0.263 566 T C 2.101 176.864 174.700 0.105 0.000 1.040 566 T CA 1.414 63.581 62.100 0.111 0.000 1.147 566 T CB -0.841 68.066 68.868 0.066 0.000 0.865 566 T HN 0.359 nan 8.240 nan 0.000 0.426 567 c N 1.221 119.837 118.600 0.028 0.000 2.367 567 c HA -0.152 4.430 4.570 0.021 0.000 0.276 567 c C 1.456 175.524 174.090 -0.036 0.000 1.195 567 c CA 0.430 56.699 56.329 -0.100 0.000 1.756 567 c CB -1.632 40.692 42.510 -0.310 0.000 2.046 567 c HN 0.496 nan 8.230 nan 0.000 0.453 568 F N 1.108 121.114 119.950 0.092 0.000 2.626 568 F HA 0.408 4.948 4.527 0.021 0.000 0.374 568 F C 0.986 176.984 175.800 0.330 0.000 1.184 568 F CA 0.703 58.856 58.000 0.255 0.000 1.339 568 F CB -0.502 38.617 39.000 0.200 0.000 1.730 568 F HN 0.489 nan 8.300 nan 0.000 0.650 569 A N -0.737 122.356 122.820 0.455 0.000 2.510 569 A HA -0.044 4.289 4.320 0.021 0.000 0.189 569 A C 1.644 179.361 177.584 0.222 0.000 2.148 569 A CA 0.180 52.392 52.037 0.293 0.000 1.512 569 A CB -0.714 18.410 19.000 0.206 0.000 1.217 569 A HN 0.323 nan 8.150 nan 0.000 0.371 570 E N 0.176 120.490 120.200 0.190 0.000 2.024 570 E HA -0.060 4.303 4.350 0.021 0.000 0.190 570 E C 1.355 178.047 176.600 0.153 0.000 0.974 570 E CA 0.856 57.334 56.400 0.130 0.000 0.810 570 E CB -0.011 29.738 29.700 0.081 0.000 0.775 570 E HN 0.378 nan 8.360 nan 0.000 0.453 571 E N 0.379 120.683 120.200 0.173 0.000 2.516 571 E HA 0.023 4.386 4.350 0.021 0.000 0.199 571 E C 0.362 177.212 176.600 0.415 0.000 1.069 571 E CA 0.261 56.798 56.400 0.229 0.000 0.876 571 E CB 0.336 30.120 29.700 0.140 0.000 0.843 571 E HN 0.216 nan 8.360 nan 0.000 0.530 572 G N 0.033 109.106 108.800 0.455 0.000 2.511 572 G HA2 0.283 4.255 3.960 0.021 0.000 0.316 572 G HA3 0.283 4.255 3.960 0.021 0.000 0.316 572 G C 0.380 175.424 174.900 0.240 0.000 1.210 572 G CA -0.359 45.029 45.100 0.480 0.000 0.969 572 G HN -0.125 nan 8.290 nan 0.000 0.492 573 K N -1.266 119.233 120.400 0.164 0.000 3.870 573 K HA -0.271 4.062 4.320 0.021 0.000 0.370 573 K C 1.672 178.317 176.600 0.075 0.000 0.607 573 K CA 2.298 58.641 56.287 0.094 0.000 1.617 573 K CB -1.081 31.470 32.500 0.085 0.000 1.221 573 K HN 0.648 nan 8.250 nan 0.000 0.485 574 K N 1.127 121.581 120.400 0.089 0.000 2.217 574 K HA 0.023 4.356 4.320 0.021 0.000 0.202 574 K C 2.128 178.752 176.600 0.039 0.000 1.051 574 K CA 1.200 57.525 56.287 0.063 0.000 0.952 574 K CB -0.002 32.545 32.500 0.079 0.000 0.736 574 K HN 0.144 nan 8.250 nan 0.000 0.453 575 L N 0.237 121.477 121.223 0.028 0.000 2.298 575 L HA 0.016 4.369 4.340 0.021 0.000 0.209 575 L C 1.745 178.614 176.870 -0.001 0.000 1.084 575 L CA 0.697 55.524 54.840 -0.023 0.000 0.816 575 L CB 0.193 42.148 42.059 -0.172 0.000 0.967 575 L HN -0.093 nan 8.230 nan 0.000 0.460 576 V N 0.145 120.080 119.914 0.035 0.000 2.237 576 V HA -0.305 3.828 4.120 0.021 0.000 0.245 576 V C 2.749 178.846 176.094 0.004 0.000 1.046 576 V CA 1.841 64.160 62.300 0.033 0.000 1.007 576 V CB -1.301 30.571 31.823 0.082 0.000 0.638 576 V HN 0.541 nan 8.190 nan 0.000 0.445 577 A N 0.034 122.857 122.820 0.004 0.000 1.908 577 A HA -0.129 4.204 4.320 0.021 0.000 0.218 577 A C 2.297 179.869 177.584 -0.021 0.000 1.181 577 A CA 2.023 54.047 52.037 -0.021 0.000 0.627 577 A CB -0.855 18.137 19.000 -0.013 0.000 0.818 577 A HN 0.647 nan 8.150 nan 0.000 0.445 578 A N -1.178 121.636 122.820 -0.009 0.000 2.259 578 A HA 0.114 4.447 4.320 0.021 0.000 0.212 578 A C 2.092 179.667 177.584 -0.016 0.000 1.178 578 A CA 1.769 53.800 52.037 -0.009 0.000 0.734 578 A CB -0.353 18.646 19.000 -0.001 0.000 0.774 578 A HN 0.440 nan 8.150 nan 0.000 0.481 579 S N -1.370 114.316 115.700 -0.024 0.000 2.691 579 S HA 0.009 4.492 4.470 0.021 0.000 0.241 579 S C 1.507 176.086 174.600 -0.034 0.000 1.077 579 S CA -0.103 58.078 58.200 -0.032 0.000 0.900 579 S CB -0.124 63.045 63.200 -0.051 0.000 0.805 579 S HN 0.515 nan 8.310 nan 0.000 0.529 580 Q N 1.204 120.983 119.800 -0.036 0.000 2.591 580 Q HA 0.149 4.502 4.340 0.021 0.000 0.219 580 Q C 1.343 177.313 176.000 -0.049 0.000 0.981 580 Q CA 0.600 56.380 55.803 -0.037 0.000 0.945 580 Q CB -0.255 28.430 28.738 -0.089 0.000 0.985 580 Q HN 0.570 nan 8.270 nan 0.000 0.542 581 A N -0.534 122.262 122.820 -0.040 0.000 1.988 581 A HA 0.363 4.695 4.320 0.021 0.000 0.198 581 A C 1.930 179.497 177.584 -0.028 0.000 1.507 581 A CA 0.575 52.590 52.037 -0.035 0.000 0.901 581 A CB -0.321 18.661 19.000 -0.031 0.000 1.007 581 A HN 0.247 nan 8.150 nan 0.000 0.502 582 A N -0.403 122.402 122.820 -0.024 0.000 2.216 582 A HA 0.289 4.622 4.320 0.021 0.000 0.214 582 A C 1.201 178.772 177.584 -0.022 0.000 1.160 582 A CA 0.922 52.947 52.037 -0.019 0.000 0.725 582 A CB -0.504 18.488 19.000 -0.015 0.000 0.784 582 A HN 0.419 nan 8.150 nan 0.000 0.472 583 L N -1.443 119.763 121.223 -0.028 0.000 3.289 583 L HA 0.454 4.807 4.340 0.021 0.000 0.291 583 L C 0.607 177.452 176.870 -0.041 0.000 1.279 583 L CA -0.010 54.811 54.840 -0.032 0.000 1.025 583 L CB 0.420 42.459 42.059 -0.034 0.000 1.413 583 L HN 0.342 nan 8.230 nan 0.000 0.593 584 G N 0.000 108.778 108.800 -0.037 0.000 5.446 584 G HA2 0.000 3.973 3.960 0.021 0.000 0.244 584 G HA3 0.000 3.973 3.960 0.021 0.000 0.244 584 G CA 0.000 45.075 45.100 -0.041 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925